NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142762 | 2kks | 16371 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -13.060 -2.270 6.137 2 H2 MET 1 H2 MET 1 -11.862 -3.457 5.896 3 H3 MET 1 H3 MET 1 -13.499 -3.894 5.895 4 HA MET 1 HA MET 1 -12.629 -3.840 3.661 5 HB2 MET 1 2HB MET 1 -14.997 -3.242 4.114 6 HB3 MET 1 1HB MET 1 -14.531 -1.552 4.219 7 HG2 MET 1 2HG MET 1 -13.729 -1.700 1.868 8 HG3 MET 1 1HG MET 1 -14.398 -3.328 1.799 9 HE1 MET 1 2HE MET 1 -15.836 -0.159 3.641 10 HE2 MET 1 3HE MET 1 -16.926 0.487 2.414 11 HE3 MET 1 1HE MET 1 -15.183 0.502 2.141 12 H ILE 2 HN ILE 2 -11.488 -2.808 2.044 13 HA ILE 2 HA ILE 2 -10.468 -0.119 2.672 14 HB ILE 2 HB ILE 2 -8.643 -1.715 2.930 15 HG12 ILE 2 2HG1 ILE 2 -8.358 -0.117 0.377 16 HG13 ILE 2 1HG1 ILE 2 -8.170 0.530 2.001 17 HG21 ILE 2 1HG2 ILE 2 -9.454 -3.504 1.506 18 HG22 ILE 2 2HG2 ILE 2 -7.821 -3.032 1.034 19 HG23 ILE 2 3HG2 ILE 2 -9.203 -2.502 0.077 20 HD11 ILE 2 3HD1 ILE 2 -6.254 -0.932 2.365 21 HD12 ILE 2 1HD1 ILE 2 -6.018 0.110 0.961 22 HD13 ILE 2 2HD1 ILE 2 -6.446 -1.587 0.739 23 H THR 3 HN THR 3 -10.661 1.375 1.093 24 HA THR 3 HA THR 3 -11.572 0.446 -1.549 25 HB THR 3 HB THR 3 -12.582 2.878 -0.059 26 HG1 THR 3 1HG THR 3 -13.545 0.261 -0.393 27 HG21 THR 3 3HG2 THR 3 -14.181 3.091 -1.901 28 HG22 THR 3 1HG2 THR 3 -13.432 1.718 -2.714 29 HG23 THR 3 2HG2 THR 3 -12.521 3.211 -2.489 30 H LEU 4 HN LEU 4 -10.479 1.250 -3.243 31 HA LEU 4 HA LEU 4 -9.136 3.829 -2.963 32 HB2 LEU 4 2HB LEU 4 -7.159 2.905 -4.226 33 HB3 LEU 4 1HB LEU 4 -7.305 2.404 -2.558 34 HG LEU 4 HG LEU 4 -8.474 0.295 -3.594 35 HD11 LEU 4 1HD1 LEU 4 -8.552 1.113 -5.878 36 HD12 LEU 4 2HD1 LEU 4 -7.534 -0.323 -5.763 37 HD13 LEU 4 3HD1 LEU 4 -6.795 1.273 -5.897 38 HD21 LEU 4 3HD2 LEU 4 -6.409 0.266 -2.312 39 HD22 LEU 4 1HD2 LEU 4 -5.500 0.751 -3.743 40 HD23 LEU 4 2HD2 LEU 4 -6.306 -0.818 -3.700 41 H THR 5 HN THR 5 -8.429 4.651 -5.150 42 HA THR 5 HA THR 5 -10.719 4.200 -6.912 43 HB THR 5 HB THR 5 -10.185 6.322 -7.957 44 HG1 THR 5 1HG THR 5 -8.334 7.386 -6.482 45 HG21 THR 5 3HG2 THR 5 -10.035 6.499 -4.948 46 HG22 THR 5 1HG2 THR 5 -11.509 6.393 -5.910 47 HG23 THR 5 2HG2 THR 5 -10.477 7.817 -6.035 48 H LYS 6 HN LYS 6 -10.336 4.386 -9.276 49 HA LYS 6 HA LYS 6 -8.654 2.440 -10.319 50 HB2 LYS 6 2HB LYS 6 -10.576 3.525 -11.486 51 HB3 LYS 6 1HB LYS 6 -9.599 4.960 -11.702 52 HG2 LYS 6 2HG LYS 6 -7.961 3.519 -12.966 53 HG3 LYS 6 1HG LYS 6 -9.195 2.257 -12.943 54 HD2 LYS 6 2HD LYS 6 -10.756 3.751 -14.079 55 HD3 LYS 6 1HD LYS 6 -9.541 5.030 -14.082 56 HE2 LYS 6 2HE LYS 6 -9.568 3.997 -16.244 57 HE3 LYS 6 1HE LYS 6 -8.070 3.553 -15.428 58 HZ1 LYS 6 3HZ LYS 6 -8.992 1.410 -14.899 59 HZ2 LYS 6 1HZ LYS 6 -9.136 1.678 -16.566 60 HZ3 LYS 6 2HZ LYS 6 -10.492 1.842 -15.567 61 H LYS 7 HN LYS 7 -8.215 5.893 -10.007 62 HA LYS 7 HA LYS 7 -5.775 6.159 -11.340 63 HB2 LYS 7 2HB LYS 7 -7.470 7.938 -10.546 64 HB3 LYS 7 1HB LYS 7 -6.611 7.877 -9.015 65 HG2 LYS 7 2HG LYS 7 -4.755 8.160 -11.175 66 HG3 LYS 7 1HG LYS 7 -6.001 9.406 -11.260 67 HD2 LYS 7 2HD LYS 7 -5.555 10.026 -8.945 68 HD3 LYS 7 1HD LYS 7 -4.340 8.751 -8.827 69 HE2 LYS 7 2HE LYS 7 -3.053 9.851 -10.617 70 HE3 LYS 7 1HE LYS 7 -4.248 11.149 -10.651 71 HZ1 LYS 7 3HZ LYS 7 -3.689 11.730 -8.414 72 HZ2 LYS 7 1HZ LYS 7 -2.261 11.675 -9.324 73 HZ3 LYS 7 2HZ LYS 7 -2.643 10.401 -8.267 74 H GLN 8 HN GLN 8 -6.483 5.455 -7.932 75 HA GLN 8 HA GLN 8 -3.784 5.534 -7.049 76 HB2 GLN 8 2HB GLN 8 -6.056 3.917 -5.874 77 HB3 GLN 8 1HB GLN 8 -4.580 4.406 -5.056 78 HG2 GLN 8 2HG GLN 8 -6.802 6.191 -5.999 79 HG3 GLN 8 1HG GLN 8 -6.386 5.791 -4.337 80 HE21 GLN 8 1HE2 GLN 8 -6.556 8.365 -5.712 81 HE22 GLN 8 2HE2 GLN 8 -5.019 9.121 -5.498 82 H MET 9 HN MET 9 -5.888 2.913 -8.207 83 HA MET 9 HA MET 9 -4.077 0.798 -7.938 84 HB2 MET 9 2HB MET 9 -6.384 0.374 -8.523 85 HB3 MET 9 1HB MET 9 -6.219 1.287 -10.016 86 HG2 MET 9 2HG MET 9 -4.685 -0.380 -10.893 87 HG3 MET 9 1HG MET 9 -4.792 -1.290 -9.387 88 HE1 MET 9 3HE MET 9 -7.821 -1.126 -8.620 89 HE2 MET 9 1HE MET 9 -6.892 -2.625 -8.601 90 HE3 MET 9 2HE MET 9 -8.459 -2.570 -9.407 91 H GLU 10 HN GLU 10 -4.593 3.047 -10.617 92 HA GLU 10 HA GLU 10 -2.614 2.148 -12.352 93 HB2 GLU 10 2HB GLU 10 -3.929 4.811 -11.854 94 HB3 GLU 10 1HB GLU 10 -2.723 4.611 -13.101 95 HG2 GLU 10 2HG GLU 10 -5.257 3.013 -12.928 96 HG3 GLU 10 1HG GLU 10 -5.047 4.455 -13.921 97 H GLU 11 HN GLU 11 -2.458 4.493 -9.684 98 HA GLU 11 HA GLU 11 0.193 5.308 -10.096 99 HB2 GLU 11 2HB GLU 11 -1.759 5.428 -7.860 100 HB3 GLU 11 1HB GLU 11 -0.076 5.713 -7.475 101 HG2 GLU 11 2HG GLU 11 -0.040 7.469 -9.248 102 HG3 GLU 11 1HG GLU 11 -1.777 7.238 -9.428 103 H MET 12 HN MET 12 -1.167 2.721 -8.071 104 HA MET 12 HA MET 12 1.315 1.845 -7.022 105 HB2 MET 12 2HB MET 12 -1.295 0.366 -7.404 106 HB3 MET 12 1HB MET 12 0.080 -0.275 -6.518 107 HG2 MET 12 2HG MET 12 -0.077 1.635 -4.963 108 HG3 MET 12 1HG MET 12 -1.514 2.179 -5.828 109 HE1 MET 12 3HE MET 12 -3.807 0.795 -5.906 110 HE2 MET 12 1HE MET 12 -3.997 -0.797 -5.170 111 HE3 MET 12 2HE MET 12 -2.906 -0.583 -6.540 112 H LEU 13 HN LEU 13 -0.605 0.819 -9.818 113 HA LEU 13 HA LEU 13 1.015 -1.291 -10.671 114 HB2 LEU 13 2HB LEU 13 -0.847 0.570 -12.111 115 HB3 LEU 13 1HB LEU 13 0.025 -0.673 -12.977 116 HG LEU 13 HG LEU 13 -1.978 -1.100 -10.760 117 HD11 LEU 13 1HD1 LEU 13 -2.963 -0.488 -12.909 118 HD12 LEU 13 2HD1 LEU 13 -3.311 -2.167 -12.494 119 HD13 LEU 13 3HD1 LEU 13 -2.072 -1.793 -13.691 120 HD21 LEU 13 3HD2 LEU 13 -0.155 -2.735 -10.639 121 HD22 LEU 13 1HD2 LEU 13 -0.415 -3.144 -12.335 122 HD23 LEU 13 2HD2 LEU 13 -1.671 -3.482 -11.143 123 H ALA 14 HN ALA 14 1.153 2.158 -11.468 124 HA ALA 14 HA ALA 14 3.261 2.003 -13.332 125 HB1 ALA 14 1HB ALA 14 3.526 4.405 -12.961 126 HB2 ALA 14 2HB ALA 14 2.498 4.302 -11.532 127 HB3 ALA 14 3HB ALA 14 1.825 3.970 -13.128 128 H HIS 15 HN HIS 15 3.222 2.473 -9.838 129 HA HIS 15 HA HIS 15 6.001 2.901 -9.512 130 HB2 HIS 15 2HB HIS 15 4.323 3.503 -7.811 131 HB3 HIS 15 1HB HIS 15 3.980 1.804 -7.542 132 HD1 HIS 15 1HD HIS 15 7.226 3.845 -7.550 133 HD2 HIS 15 2HD HIS 15 5.177 1.022 -5.277 134 HE1 HIS 15 1HE HIS 15 8.693 3.377 -5.558 135 HE2 HIS 15 2HE HIS 15 7.344 1.808 -4.108 136 H ALA 16 HN ALA 16 3.987 0.044 -9.573 137 HA ALA 16 HA ALA 16 5.830 -1.832 -8.617 138 HB1 ALA 16 1HB ALA 16 4.438 -3.516 -9.679 139 HB2 ALA 16 2HB ALA 16 3.644 -2.271 -10.646 140 HB3 ALA 16 3HB ALA 16 3.442 -2.292 -8.894 141 H ARG 17 HN ARG 17 5.099 -0.957 -12.014 142 HA ARG 17 HA ARG 17 7.161 -2.611 -13.073 143 HB2 ARG 17 2HB ARG 17 5.921 -0.209 -14.425 144 HB3 ARG 17 1HB ARG 17 6.730 -1.564 -15.199 145 HG2 ARG 17 2HG ARG 17 4.885 -3.016 -14.203 146 HG3 ARG 17 1HG ARG 17 4.039 -1.501 -13.879 147 HD2 ARG 17 2HD ARG 17 3.226 -2.234 -15.963 148 HD3 ARG 17 1HD ARG 17 4.383 -0.958 -16.337 149 HE ARG 17 HE ARG 17 5.439 -3.665 -16.361 150 HH11 ARG 17 1HH1 ARG 17 4.102 -1.026 -18.242 151 HH12 ARG 17 2HH1 ARG 17 4.715 -1.622 -19.749 152 HH21 ARG 17 1HH2 ARG 17 6.231 -4.459 -18.347 153 HH22 ARG 17 2HH2 ARG 17 5.912 -3.585 -19.817 154 H GLN 18 HN GLN 18 6.962 0.700 -12.047 155 HA GLN 18 HA GLN 18 9.295 1.804 -13.020 156 HB2 GLN 18 2HB GLN 18 7.630 3.100 -11.877 157 HB3 GLN 18 1HB GLN 18 7.859 2.186 -10.399 158 HG2 GLN 18 2HG GLN 18 10.142 3.105 -10.233 159 HG3 GLN 18 1HG GLN 18 9.811 4.091 -11.659 160 HE21 GLN 18 1HE2 GLN 18 8.376 5.801 -11.503 161 HE22 GLN 18 2HE2 GLN 18 7.851 6.444 -9.984 162 H ALA 19 HN ALA 19 8.823 -0.172 -10.139 163 HA ALA 19 HA ALA 19 11.502 0.221 -9.199 164 HB1 ALA 19 1HB ALA 19 9.415 -1.741 -8.272 165 HB2 ALA 19 2HB ALA 19 9.647 -0.107 -7.651 166 HB3 ALA 19 3HB ALA 19 10.904 -1.324 -7.422 167 H LEU 20 HN LEU 20 9.952 -2.109 -11.253 168 HA LEU 20 HA LEU 20 11.413 -4.405 -10.838 169 HB2 LEU 20 2HB LEU 20 10.460 -3.327 -13.490 170 HB3 LEU 20 1HB LEU 20 10.905 -4.989 -13.164 171 HG LEU 20 HG LEU 20 8.557 -3.501 -12.000 172 HD11 LEU 20 1HD1 LEU 20 8.262 -4.178 -14.318 173 HD12 LEU 20 2HD1 LEU 20 7.238 -5.134 -13.247 174 HD13 LEU 20 3HD1 LEU 20 8.719 -5.830 -13.905 175 HD21 LEU 20 3HD2 LEU 20 9.515 -5.016 -10.346 176 HD22 LEU 20 1HD2 LEU 20 9.468 -6.335 -11.516 177 HD23 LEU 20 2HD2 LEU 20 7.965 -5.618 -10.935 178 HA PRO 21 HA PRO 21 12.368 -6.068 -11.890 179 HB2 PRO 21 2HB PRO 21 14.576 -7.501 -11.519 180 HB3 PRO 21 1HB PRO 21 14.139 -6.908 -13.128 181 HG2 PRO 21 2HG PRO 21 16.132 -5.807 -11.181 182 HG3 PRO 21 1HG PRO 21 16.288 -6.028 -12.934 183 HD2 PRO 21 2HD PRO 21 15.632 -3.640 -11.711 184 HD3 PRO 21 1HD PRO 21 15.240 -4.052 -13.391 185 H ASN 22 HN ASN 22 13.607 -3.910 -9.775 186 HA ASN 22 HA ASN 22 13.744 -5.660 -7.469 187 HB2 ASN 22 2HB ASN 22 13.867 -2.663 -7.811 188 HB3 ASN 22 1HB ASN 22 13.729 -3.404 -6.221 189 HD21 ASN 22 1HD2 ASN 22 15.461 -4.502 -5.358 190 HD22 ASN 22 2HD2 ASN 22 17.045 -4.433 -6.047 191 H GLU 23 HN GLU 23 12.240 -5.190 -5.591 192 HA GLU 23 HA GLU 23 9.554 -5.287 -6.660 193 HB2 GLU 23 2HB GLU 23 8.907 -6.287 -4.660 194 HB3 GLU 23 1HB GLU 23 10.541 -6.879 -4.906 195 HG2 GLU 23 2HG GLU 23 10.922 -6.276 -2.814 196 HG3 GLU 23 1HG GLU 23 10.905 -4.608 -3.393 197 H ALA 24 HN ALA 24 7.805 -4.018 -5.707 198 HA ALA 24 HA ALA 24 8.787 -1.276 -5.324 199 HB1 ALA 24 1HB ALA 24 7.535 -1.627 -7.370 200 HB2 ALA 24 2HB ALA 24 6.667 -0.542 -6.286 201 HB3 ALA 24 3HB ALA 24 6.155 -2.223 -6.448 202 H CYS 25 HN CYS 25 8.675 -0.604 -3.271 203 HA CYS 25 HA CYS 25 6.351 -1.430 -1.665 204 HB2 CYS 25 2HB CYS 25 7.793 -1.009 0.312 205 HB3 CYS 25 1HB CYS 25 8.436 -2.270 -0.736 206 HG CYS 25 HG CYS 25 9.767 0.662 0.154 207 H GLY 26 HN GLY 26 5.776 0.177 0.069 208 HA2 GLY 26 2HA GLY 26 6.466 2.820 0.211 209 HA3 GLY 26 1HA GLY 26 5.307 2.751 -1.113 210 H LEU 27 HN LEU 27 4.073 4.178 0.378 211 HA LEU 27 HA LEU 27 2.564 2.576 2.341 212 HB2 LEU 27 2HB LEU 27 3.378 5.479 2.510 213 HB3 LEU 27 1HB LEU 27 2.210 4.736 3.581 214 HG LEU 27 HG LEU 27 5.120 3.944 3.367 215 HD11 LEU 27 1HD1 LEU 27 5.321 4.961 5.586 216 HD12 LEU 27 2HD1 LEU 27 3.648 5.509 5.484 217 HD13 LEU 27 3HD1 LEU 27 4.855 6.146 4.365 218 HD21 LEU 27 3HD2 LEU 27 2.960 3.065 5.280 219 HD22 LEU 27 1HD2 LEU 27 4.662 2.610 5.364 220 HD23 LEU 27 2HD2 LEU 27 3.674 2.083 4.002 221 H LEU 28 HN LEU 28 0.376 3.451 2.766 222 HA LEU 28 HA LEU 28 -0.753 4.811 0.406 223 HB2 LEU 28 2HB LEU 28 -2.018 2.689 2.144 224 HB3 LEU 28 1HB LEU 28 -2.866 3.589 0.900 225 HG LEU 28 HG LEU 28 -0.527 1.738 0.420 226 HD11 LEU 28 1HD1 LEU 28 -2.519 0.524 1.090 227 HD12 LEU 28 2HD1 LEU 28 -2.187 0.278 -0.624 228 HD13 LEU 28 3HD1 LEU 28 -3.468 1.382 -0.123 229 HD21 LEU 28 3HD2 LEU 28 -0.648 3.578 -1.191 230 HD22 LEU 28 1HD2 LEU 28 -2.332 3.173 -1.525 231 HD23 LEU 28 2HD2 LEU 28 -1.051 2.032 -1.938 232 H GLY 29 HN GLY 29 -1.905 6.615 0.775 233 HA2 GLY 29 2HA GLY 29 -2.456 7.285 3.602 234 HA3 GLY 29 1HA GLY 29 -1.815 8.453 2.457 235 H GLY 30 HN GLY 30 -4.208 8.645 4.028 236 HA2 GLY 30 2HA GLY 30 -5.965 9.869 2.357 237 HA3 GLY 30 1HA GLY 30 -6.455 8.179 2.291 238 H ARG 31 HN ARG 31 -8.291 8.101 3.451 239 HA ARG 31 HA ARG 31 -8.165 9.191 6.186 240 HB2 ARG 31 2HB ARG 31 -10.532 9.005 4.326 241 HB3 ARG 31 1HB ARG 31 -10.684 9.317 6.049 242 HG2 ARG 31 2HG ARG 31 -9.193 11.317 5.701 243 HG3 ARG 31 1HG ARG 31 -9.386 11.049 3.966 244 HD2 ARG 31 2HD ARG 31 -10.980 12.710 4.820 245 HD3 ARG 31 1HD ARG 31 -11.794 11.285 4.176 246 HE ARG 31 HE ARG 31 -11.387 10.950 6.944 247 HH11 ARG 31 1HH1 ARG 31 -13.314 12.879 4.733 248 HH12 ARG 31 2HH1 ARG 31 -14.634 13.046 5.851 249 HH21 ARG 31 1HH2 ARG 31 -13.099 11.164 8.390 250 HH22 ARG 31 2HH2 ARG 31 -14.524 12.061 7.944 251 H ARG 32 HN ARG 32 -8.831 7.923 7.850 252 HA ARG 32 HA ARG 32 -9.826 5.239 7.181 253 HB2 ARG 32 2HB ARG 32 -7.448 5.179 7.906 254 HB3 ARG 32 1HB ARG 32 -7.917 5.907 9.434 255 HG2 ARG 32 2HG ARG 32 -9.287 3.961 9.948 256 HG3 ARG 32 1HG ARG 32 -8.859 3.238 8.397 257 HD2 ARG 32 2HD ARG 32 -7.470 2.234 10.048 258 HD3 ARG 32 1HD ARG 32 -6.459 3.338 9.116 259 HE ARG 32 HE ARG 32 -7.620 4.262 11.652 260 HH11 ARG 32 1HH1 ARG 32 -4.807 3.363 9.768 261 HH12 ARG 32 2HH1 ARG 32 -3.673 3.970 10.924 262 HH21 ARG 32 1HH2 ARG 32 -6.119 5.029 13.211 263 HH22 ARG 32 2HH2 ARG 32 -4.418 4.918 12.880 264 H ASP 33 HN ASP 33 -11.723 4.820 8.073 265 HA ASP 33 HA ASP 33 -12.484 6.053 10.602 266 HB2 ASP 33 2HB ASP 33 -13.102 7.725 8.835 267 HB3 ASP 33 1HB ASP 33 -14.174 6.516 8.135 268 H GLY 34 HN GLY 34 -13.923 4.821 11.734 269 HA2 GLY 34 2HA GLY 34 -15.040 2.888 12.300 270 HA3 GLY 34 1HA GLY 34 -15.561 2.805 10.622 271 H ASP 35 HN ASP 35 -12.241 2.964 11.462 272 HA ASP 35 HA ASP 35 -10.481 1.557 11.327 273 HB2 ASP 35 2HB ASP 35 -11.690 -0.050 12.697 274 HB3 ASP 35 1HB ASP 35 -12.551 -0.646 11.284 275 H ASP 36 HN ASP 36 -13.000 1.584 8.984 276 HA ASP 36 HA ASP 36 -11.610 0.168 6.929 277 HB2 ASP 36 2HB ASP 36 -13.800 2.231 6.671 278 HB3 ASP 36 1HB ASP 36 -13.204 1.229 5.365 279 H ARG 37 HN ARG 37 -10.814 1.185 4.956 280 HA ARG 37 HA ARG 37 -9.452 3.725 5.520 281 HB2 ARG 37 2HB ARG 37 -7.968 1.542 4.099 282 HB3 ARG 37 1HB ARG 37 -7.335 2.922 4.985 283 HG2 ARG 37 2HG ARG 37 -6.840 1.297 6.485 284 HG3 ARG 37 1HG ARG 37 -8.490 1.639 7.017 285 HD2 ARG 37 2HD ARG 37 -9.058 -0.160 5.161 286 HD3 ARG 37 1HD ARG 37 -7.413 -0.683 5.509 287 HE ARG 37 HE ARG 37 -8.988 -0.342 7.882 288 HH11 ARG 37 1HH1 ARG 37 -8.134 -2.522 5.295 289 HH12 ARG 37 2HH1 ARG 37 -8.768 -3.930 6.086 290 HH21 ARG 37 1HH2 ARG 37 -9.812 -2.218 8.969 291 HH22 ARG 37 2HH2 ARG 37 -9.678 -3.763 8.178 292 H TRP 38 HN TRP 38 -9.431 5.131 3.863 293 HA TRP 38 HA TRP 38 -10.137 4.122 1.184 294 HB2 TRP 38 2HB TRP 38 -10.768 6.806 2.432 295 HB3 TRP 38 1HB TRP 38 -11.111 6.370 0.758 296 HD1 TRP 38 1HD TRP 38 -13.051 4.537 0.352 297 HE1 TRP 38 1HE TRP 38 -15.078 3.866 1.789 298 HE3 TRP 38 3HE TRP 38 -11.559 6.537 4.808 299 HZ2 TRP 38 2HZ TRP 38 -15.925 4.152 4.472 300 HZ3 TRP 38 3HZ TRP 38 -13.028 6.293 6.760 301 HH2 TRP 38 2HH TRP 38 -15.168 5.125 6.596 302 H VAL 39 HN VAL 39 -8.480 4.184 -0.151 303 HA VAL 39 HA VAL 39 -6.154 5.800 0.477 304 HB VAL 39 HB VAL 39 -6.578 3.916 -1.848 305 HG11 VAL 39 1HG1 VAL 39 -4.820 5.516 -2.283 306 HG12 VAL 39 2HG1 VAL 39 -4.116 3.926 -1.982 307 HG13 VAL 39 3HG1 VAL 39 -4.074 5.162 -0.724 308 HG21 VAL 39 3HG2 VAL 39 -6.768 2.710 0.250 309 HG22 VAL 39 1HG2 VAL 39 -5.260 3.423 0.822 310 HG23 VAL 39 2HG2 VAL 39 -5.246 2.308 -0.544 311 H GLU 40 HN GLU 40 -6.332 7.879 -0.045 312 HA GLU 40 HA GLU 40 -7.523 8.589 -2.629 313 HB2 GLU 40 2HB GLU 40 -6.860 10.329 -0.248 314 HB3 GLU 40 1HB GLU 40 -7.604 10.892 -1.740 315 HG2 GLU 40 2HG GLU 40 -8.769 8.975 0.264 316 HG3 GLU 40 1HG GLU 40 -9.300 10.619 -0.084 317 H ARG 41 HN ARG 41 -4.538 8.207 -1.089 318 HA ARG 41 HA ARG 41 -3.243 9.106 -3.517 319 HB2 ARG 41 2HB ARG 41 -3.191 11.132 -2.129 320 HB3 ARG 41 1HB ARG 41 -2.410 10.230 -0.837 321 HG2 ARG 41 2HG ARG 41 -0.484 9.819 -2.282 322 HG3 ARG 41 1HG ARG 41 -1.266 10.722 -3.579 323 HD2 ARG 41 2HD ARG 41 -1.221 12.737 -2.234 324 HD3 ARG 41 1HD ARG 41 -0.527 11.844 -0.880 325 HE ARG 41 HE ARG 41 1.053 11.626 -3.263 326 HH11 ARG 41 1HH1 ARG 41 0.353 13.685 -0.522 327 HH12 ARG 41 2HH1 ARG 41 1.919 14.430 -0.500 328 HH21 ARG 41 1HH2 ARG 41 3.121 12.615 -3.265 329 HH22 ARG 41 2HH2 ARG 41 3.482 13.849 -2.086 330 H VAL 42 HN VAL 42 -1.801 7.654 -4.109 331 HA VAL 42 HA VAL 42 -0.743 5.715 -2.245 332 HB VAL 42 HB VAL 42 -0.131 6.186 -5.176 333 HG11 VAL 42 1HG1 VAL 42 1.740 5.103 -4.041 334 HG12 VAL 42 2HG1 VAL 42 0.936 3.998 -5.155 335 HG13 VAL 42 3HG1 VAL 42 0.650 3.863 -3.419 336 HG21 VAL 42 3HG2 VAL 42 -2.415 5.485 -4.836 337 HG22 VAL 42 1HG2 VAL 42 -1.886 4.151 -3.811 338 HG23 VAL 42 2HG2 VAL 42 -1.486 4.155 -5.529 339 H TYR 43 HN TYR 43 1.281 5.730 -1.362 340 HA TYR 43 HA TYR 43 2.947 8.086 -1.939 341 HB2 TYR 43 2HB TYR 43 2.588 6.467 0.576 342 HB3 TYR 43 1HB TYR 43 3.979 7.518 0.348 343 HD1 TYR 43 1HD TYR 43 0.243 7.616 0.218 344 HD2 TYR 43 2HD TYR 43 3.847 9.712 1.061 345 HE1 TYR 43 1HE TYR 43 -1.068 9.523 1.049 346 HE2 TYR 43 2HE TYR 43 2.548 11.622 1.898 347 HH TYR 43 HH TYR 43 0.441 12.580 1.871 348 HA PRO 44 HA PRO 44 5.520 4.630 -3.526 349 HB2 PRO 44 2HB PRO 44 6.483 6.653 -5.402 350 HB3 PRO 44 1HB PRO 44 5.709 5.104 -5.740 351 HG2 PRO 44 2HG PRO 44 4.485 7.476 -6.201 352 HG3 PRO 44 1HG PRO 44 3.596 6.009 -5.747 353 HD2 PRO 44 2HD PRO 44 4.409 8.339 -4.046 354 HD3 PRO 44 1HD PRO 44 2.877 7.438 -4.065 355 H LEU 45 HN LEU 45 6.895 4.597 -1.773 356 HA LEU 45 HA LEU 45 8.650 6.853 -1.287 357 HB2 LEU 45 2HB LEU 45 8.474 4.228 0.183 358 HB3 LEU 45 1HB LEU 45 9.301 5.672 0.729 359 HG LEU 45 HG LEU 45 6.316 5.385 0.380 360 HD11 LEU 45 1HD1 LEU 45 6.254 5.525 2.820 361 HD12 LEU 45 2HD1 LEU 45 8.016 5.536 2.862 362 HD13 LEU 45 3HD1 LEU 45 7.159 4.114 2.270 363 HD21 LEU 45 3HD2 LEU 45 7.949 7.686 1.449 364 HD22 LEU 45 1HD2 LEU 45 6.189 7.574 1.473 365 HD23 LEU 45 2HD2 LEU 45 7.047 7.665 -0.065 366 H ASN 46 HN ASN 46 8.666 4.057 -3.044 367 HA ASN 46 HA ASN 46 10.198 2.972 -4.323 368 HB2 ASN 46 2HB ASN 46 11.112 5.245 -4.772 369 HB3 ASN 46 1HB ASN 46 12.169 5.064 -3.379 370 HD21 ASN 46 1HD2 ASN 46 14.014 5.271 -4.621 371 HD22 ASN 46 2HD2 ASN 46 14.563 4.032 -5.696 372 H ASN 47 HN ASN 47 12.063 1.494 -4.106 373 HA ASN 47 HA ASN 47 11.857 0.239 -1.541 374 HB2 ASN 47 2HB ASN 47 11.975 -0.977 -3.744 375 HB3 ASN 47 1HB ASN 47 13.675 -0.535 -3.831 376 HD21 ASN 47 1HD2 ASN 47 11.309 -2.556 -2.306 377 HD22 ASN 47 2HD2 ASN 47 12.428 -3.587 -1.485 378 H LEU 48 HN LEU 48 12.890 1.169 0.127 379 HA LEU 48 HA LEU 48 15.445 2.409 -0.095 380 HB2 LEU 48 2HB LEU 48 13.519 1.792 2.056 381 HB3 LEU 48 1HB LEU 48 15.188 2.002 2.545 382 HG LEU 48 HG LEU 48 13.649 4.034 2.631 383 HD11 LEU 48 1HD1 LEU 48 16.077 4.146 2.873 384 HD12 LEU 48 2HD1 LEU 48 15.467 5.532 1.967 385 HD13 LEU 48 3HD1 LEU 48 16.254 4.201 1.118 386 HD21 LEU 48 3HD2 LEU 48 13.423 5.312 0.576 387 HD22 LEU 48 1HD2 LEU 48 12.624 3.748 0.424 388 HD23 LEU 48 2HD2 LEU 48 14.194 4.012 -0.333 389 H ASP 49 HN ASP 49 14.677 -0.830 -0.132 390 HA ASP 49 HA ASP 49 17.121 -1.609 1.289 391 HB2 ASP 49 2HB ASP 49 14.811 -2.839 1.516 392 HB3 ASP 49 1HB ASP 49 15.252 -3.567 -0.022 393 H GLN 50 HN GLN 50 17.772 -3.898 -0.178 394 HA GLN 50 HA GLN 50 18.324 -2.878 -2.889 395 HB2 GLN 50 2HB GLN 50 20.258 -4.408 -1.131 396 HB3 GLN 50 1HB GLN 50 20.564 -3.877 -2.780 397 HG2 GLN 50 2HG GLN 50 20.396 -1.548 -2.063 398 HG3 GLN 50 1HG GLN 50 20.078 -2.079 -0.412 399 HE21 GLN 50 1HE2 GLN 50 22.208 -0.404 -1.406 400 HE22 GLN 50 2HE2 GLN 50 23.687 -1.200 -0.977 401 H SER 51 HN SER 51 16.624 -4.936 -1.228 402 HA SER 51 HA SER 51 17.271 -7.440 -2.492 403 HB2 SER 51 2HB SER 51 14.970 -6.611 -0.712 404 HB3 SER 51 1HB SER 51 15.302 -8.262 -1.219 405 HG SER 51 HG SER 51 16.843 -6.572 0.457 406 HA PRO 52 HA PRO 52 14.431 -6.880 -5.867 407 HB2 PRO 52 2HB PRO 52 14.536 -9.591 -6.634 408 HB3 PRO 52 1HB PRO 52 15.561 -8.283 -7.221 409 HG2 PRO 52 2HG PRO 52 16.375 -10.473 -5.659 410 HG3 PRO 52 1HG PRO 52 17.320 -9.019 -6.013 411 HD2 PRO 52 2HD PRO 52 15.782 -9.732 -3.572 412 HD3 PRO 52 1HD PRO 52 17.241 -8.733 -3.743 413 H GLU 53 HN GLU 53 13.889 -9.445 -3.499 414 HA GLU 53 HA GLU 53 11.059 -9.492 -4.316 415 HB2 GLU 53 2HB GLU 53 12.680 -11.665 -2.991 416 HB3 GLU 53 1HB GLU 53 10.955 -11.753 -3.324 417 HG2 GLU 53 2HG GLU 53 11.399 -11.564 -5.717 418 HG3 GLU 53 1HG GLU 53 13.129 -11.475 -5.390 419 H HIS 54 HN HIS 54 13.281 -9.283 -1.607 420 HA HIS 54 HA HIS 54 11.079 -8.965 0.265 421 HB2 HIS 54 2HB HIS 54 14.070 -9.007 0.591 422 HB3 HIS 54 1HB HIS 54 13.019 -8.465 1.891 423 HD1 HIS 54 1HD HIS 54 13.914 -10.511 3.287 424 HD2 HIS 54 2HD HIS 54 11.723 -11.498 -0.113 425 HE1 HIS 54 1HE HIS 54 13.288 -12.926 3.560 426 HE2 HIS 54 2HE HIS 54 12.015 -13.535 1.474 427 H PHE 55 HN PHE 55 10.769 -7.063 1.502 428 HA PHE 55 HA PHE 55 11.468 -4.651 -0.031 429 HB2 PHE 55 2HB PHE 55 9.369 -3.700 0.698 430 HB3 PHE 55 1HB PHE 55 9.054 -5.282 -0.002 431 HD1 PHE 55 1HD PHE 55 8.999 -7.265 1.764 432 HD2 PHE 55 2HD PHE 55 8.373 -3.157 2.684 433 HE1 PHE 55 1HE PHE 55 7.779 -7.910 3.801 434 HE2 PHE 55 2HE PHE 55 7.160 -3.796 4.724 435 HZ PHE 55 HZ PHE 55 6.862 -6.176 5.284 436 H SER 56 HN SER 56 11.492 -2.643 1.239 437 HA SER 56 HA SER 56 12.441 -3.067 3.988 438 HB2 SER 56 2HB SER 56 14.061 -1.911 2.466 439 HB3 SER 56 1HB SER 56 12.861 -0.646 2.199 440 HG SER 56 HG SER 56 14.561 -0.348 3.911 441 H MET 57 HN MET 57 11.760 -1.185 5.454 442 HA MET 57 HA MET 57 8.942 -0.639 4.899 443 HB2 MET 57 2HB MET 57 9.676 -1.737 7.075 444 HB3 MET 57 1HB MET 57 10.374 -0.185 7.514 445 HG2 MET 57 2HG MET 57 8.209 -0.446 8.535 446 HG3 MET 57 1HG MET 57 8.164 0.852 7.346 447 HE1 MET 57 3HE MET 57 5.706 -0.306 4.700 448 HE2 MET 57 1HE MET 57 7.417 0.110 4.652 449 HE3 MET 57 2HE MET 57 6.307 1.065 5.631 450 H ASP 58 HN ASP 58 11.669 0.653 4.139 451 HA ASP 58 HA ASP 58 12.543 2.680 3.674 452 HB2 ASP 58 2HB ASP 58 9.635 3.415 3.316 453 HB3 ASP 58 1HB ASP 58 11.023 4.150 2.524 454 HA PRO 59 HA PRO 59 11.734 3.949 8.078 455 HB2 PRO 59 2HB PRO 59 14.632 4.558 7.883 456 HB3 PRO 59 1HB PRO 59 13.744 3.681 9.132 457 HG2 PRO 59 2HG PRO 59 15.268 2.378 7.391 458 HG3 PRO 59 1HG PRO 59 13.706 1.711 7.907 459 HD2 PRO 59 2HD PRO 59 14.423 3.101 5.353 460 HD3 PRO 59 1HD PRO 59 13.370 1.695 5.614 461 H ARG 60 HN ARG 60 14.010 5.767 5.986 462 HA ARG 60 HA ARG 60 13.555 8.238 7.327 463 HB2 ARG 60 2HB ARG 60 14.545 7.932 4.488 464 HB3 ARG 60 1HB ARG 60 14.875 9.247 5.603 465 HG2 ARG 60 2HG ARG 60 16.225 7.742 6.982 466 HG3 ARG 60 1HG ARG 60 15.890 6.420 5.860 467 HD2 ARG 60 2HD ARG 60 16.897 7.844 4.049 468 HD3 ARG 60 1HD ARG 60 17.408 8.964 5.309 469 HE ARG 60 HE ARG 60 18.273 6.230 5.695 470 HH11 ARG 60 1HH1 ARG 60 19.031 9.398 4.410 471 HH12 ARG 60 2HH1 ARG 60 20.730 9.067 4.239 472 HH21 ARG 60 1HH2 ARG 60 20.518 5.796 5.499 473 HH22 ARG 60 2HH2 ARG 60 21.575 7.023 4.861 474 H GLU 61 HN GLU 61 12.277 6.723 4.457 475 HA GLU 61 HA GLU 61 10.761 8.861 3.478 476 HB2 GLU 61 2HB GLU 61 10.762 5.904 3.068 477 HB3 GLU 61 1HB GLU 61 9.445 6.863 2.409 478 HG2 GLU 61 2HG GLU 61 11.409 6.378 0.877 479 HG3 GLU 61 1HG GLU 61 10.851 8.044 0.979 480 H GLN 62 HN GLN 62 10.044 6.407 5.893 481 HA GLN 62 HA GLN 62 7.307 6.759 6.227 482 HB2 GLN 62 2HB GLN 62 9.377 6.453 8.415 483 HB3 GLN 62 1HB GLN 62 7.653 6.182 8.601 484 HG2 GLN 62 2HG GLN 62 7.733 4.271 7.179 485 HG3 GLN 62 1HG GLN 62 9.413 4.602 6.750 486 HE21 GLN 62 1HE2 GLN 62 8.226 2.244 7.971 487 HE22 GLN 62 2HE2 GLN 62 9.039 2.012 9.480 488 H LEU 63 HN LEU 63 9.989 8.596 7.620 489 HA LEU 63 HA LEU 63 8.388 10.323 9.192 490 HB2 LEU 63 2HB LEU 63 10.836 9.847 9.492 491 HB3 LEU 63 1HB LEU 63 11.153 10.827 8.077 492 HG LEU 63 HG LEU 63 10.161 12.779 9.273 493 HD11 LEU 63 1HD1 LEU 63 9.890 12.632 11.699 494 HD12 LEU 63 2HD1 LEU 63 10.199 10.897 11.629 495 HD13 LEU 63 3HD1 LEU 63 8.762 11.568 10.857 496 HD21 LEU 63 3HD2 LEU 63 12.495 11.414 10.608 497 HD22 LEU 63 1HD2 LEU 63 12.092 13.126 10.743 498 HD23 LEU 63 2HD2 LEU 63 12.567 12.452 9.185 499 H THR 64 HN THR 64 9.608 10.472 5.906 500 HA THR 64 HA THR 64 8.813 13.132 5.344 501 HB THR 64 HB THR 64 9.114 10.824 3.404 502 HG1 THR 64 1HG THR 64 11.275 11.570 3.227 503 HG21 THR 64 3HG2 THR 64 9.295 13.813 3.003 504 HG22 THR 64 1HG2 THR 64 8.002 12.762 2.424 505 HG23 THR 64 2HG2 THR 64 9.634 12.595 1.774 506 H ALA 65 HN ALA 65 7.254 9.981 4.874 507 HA ALA 65 HA ALA 65 4.997 10.939 3.489 508 HB1 ALA 65 1HB ALA 65 4.013 8.768 3.935 509 HB2 ALA 65 2HB ALA 65 5.242 8.444 5.157 510 HB3 ALA 65 3HB ALA 65 5.705 8.599 3.463 511 H VAL 66 HN VAL 66 5.491 10.236 6.946 512 HA VAL 66 HA VAL 66 2.847 10.867 7.733 513 HB VAL 66 HB VAL 66 5.381 11.036 9.382 514 HG11 VAL 66 1HG1 VAL 66 2.492 10.854 10.241 515 HG12 VAL 66 2HG1 VAL 66 3.541 12.261 10.412 516 HG13 VAL 66 3HG1 VAL 66 3.887 10.787 11.316 517 HG21 VAL 66 3HG2 VAL 66 4.776 8.799 10.169 518 HG22 VAL 66 1HG2 VAL 66 5.046 8.817 8.426 519 HG23 VAL 66 2HG2 VAL 66 3.402 8.781 9.064 520 H LYS 67 HN LYS 67 5.730 12.785 7.262 521 HA LYS 67 HA LYS 67 4.831 15.196 8.423 522 HB2 LYS 67 2HB LYS 67 7.198 14.540 7.728 523 HB3 LYS 67 1HB LYS 67 6.726 14.960 6.090 524 HG2 LYS 67 2HG LYS 67 6.272 17.248 6.788 525 HG3 LYS 67 1HG LYS 67 6.702 16.834 8.450 526 HD2 LYS 67 2HD LYS 67 8.542 16.682 6.060 527 HD3 LYS 67 1HD LYS 67 8.555 17.946 7.289 528 HE2 LYS 67 2HE LYS 67 9.064 15.015 7.788 529 HE3 LYS 67 1HE LYS 67 10.312 16.252 7.651 530 HZ1 LYS 67 3HZ LYS 67 9.873 15.826 9.949 531 HZ2 LYS 67 1HZ LYS 67 8.207 16.079 9.743 532 HZ3 LYS 67 2HZ LYS 67 9.289 17.372 9.577 533 H ASP 68 HN ASP 68 4.456 13.744 5.262 534 HA ASP 68 HA ASP 68 3.321 16.006 3.948 535 HB2 ASP 68 2HB ASP 68 4.341 14.118 2.734 536 HB3 ASP 68 1HB ASP 68 3.079 13.052 3.332 537 H MET 69 HN MET 69 1.991 13.102 5.422 538 HA MET 69 HA MET 69 -0.723 13.554 4.976 539 HB2 MET 69 2HB MET 69 0.577 12.165 7.326 540 HB3 MET 69 1HB MET 69 -1.110 12.007 6.852 541 HG2 MET 69 2HG MET 69 -0.511 10.939 4.810 542 HG3 MET 69 1HG MET 69 1.197 11.280 5.074 543 HE1 MET 69 3HE MET 69 1.238 7.446 5.433 544 HE2 MET 69 1HE MET 69 1.984 8.866 4.698 545 HE3 MET 69 2HE MET 69 0.330 8.418 4.275 546 H ARG 70 HN ARG 70 1.402 14.856 7.442 547 HA ARG 70 HA ARG 70 -0.717 15.936 9.032 548 HB2 ARG 70 2HB ARG 70 2.204 15.894 9.117 549 HB3 ARG 70 1HB ARG 70 1.518 17.416 9.675 550 HG2 ARG 70 2HG ARG 70 1.877 15.764 11.483 551 HG3 ARG 70 1HG ARG 70 0.200 16.291 11.330 552 HD2 ARG 70 2HD ARG 70 -0.151 14.220 9.892 553 HD3 ARG 70 1HD ARG 70 1.422 13.679 10.479 554 HE ARG 70 HE ARG 70 0.478 13.774 12.744 555 HH11 ARG 70 1HH1 ARG 70 -1.708 13.593 10.001 556 HH12 ARG 70 2HH1 ARG 70 -3.043 13.000 10.938 557 HH21 ARG 70 1HH2 ARG 70 -1.283 12.987 13.975 558 HH22 ARG 70 2HH2 ARG 70 -2.800 12.645 13.194 559 H LYS 71 HN LYS 71 0.997 16.984 6.224 560 HA LYS 71 HA LYS 71 0.378 19.769 6.490 561 HB2 LYS 71 2HB LYS 71 2.264 18.744 5.117 562 HB3 LYS 71 1HB LYS 71 1.046 18.275 3.946 563 HG2 LYS 71 2HG LYS 71 1.490 21.134 4.779 564 HG3 LYS 71 1HG LYS 71 2.348 20.376 3.440 565 HD2 LYS 71 2HD LYS 71 0.188 19.897 2.356 566 HD3 LYS 71 1HD LYS 71 -0.642 20.711 3.684 567 HE2 LYS 71 2HE LYS 71 0.702 22.762 3.120 568 HE3 LYS 71 1HE LYS 71 1.246 21.916 1.671 569 HZ1 LYS 71 3HZ LYS 71 -1.085 21.705 0.988 570 HZ2 LYS 71 1HZ LYS 71 -0.632 23.330 1.175 571 HZ3 LYS 71 2HZ LYS 71 -1.569 22.569 2.365 572 H ASN 72 HN ASN 72 -1.103 16.992 4.871 573 HA ASN 72 HA ASN 72 -3.139 18.743 3.718 574 HB2 ASN 72 2HB ASN 72 -3.823 16.673 2.448 575 HB3 ASN 72 1HB ASN 72 -2.205 17.272 2.107 576 HD21 ASN 72 1HD2 ASN 72 -1.344 15.380 1.430 577 HD22 ASN 72 2HD2 ASN 72 -1.089 14.015 2.457 578 H GLY 73 HN GLY 73 -2.774 16.476 6.281 579 HA2 GLY 73 2HA GLY 73 -4.304 16.457 8.091 580 HA3 GLY 73 1HA GLY 73 -5.571 16.982 6.994 581 H TRP 74 HN TRP 74 -3.522 14.418 5.947 582 HA TRP 74 HA TRP 74 -5.759 12.551 6.276 583 HB2 TRP 74 2HB TRP 74 -3.348 12.458 4.451 584 HB3 TRP 74 1HB TRP 74 -4.527 11.158 4.588 585 HD1 TRP 74 1HD TRP 74 -6.949 13.553 4.790 586 HE1 TRP 74 1HE TRP 74 -7.785 14.461 2.533 587 HE3 TRP 74 3HE TRP 74 -3.041 12.102 1.833 588 HZ2 TRP 74 2HZ TRP 74 -6.905 14.551 -0.144 589 HZ3 TRP 74 3HZ TRP 74 -3.119 12.637 -0.565 590 HH2 TRP 74 2HH TRP 74 -5.011 13.836 -1.533 591 H VAL 75 HN VAL 75 -4.882 10.155 6.411 592 HA VAL 75 HA VAL 75 -2.852 10.053 8.544 593 HB VAL 75 HB VAL 75 -4.175 8.302 9.684 594 HG11 VAL 75 1HG1 VAL 75 -5.643 10.909 9.313 595 HG12 VAL 75 2HG1 VAL 75 -4.348 10.596 10.468 596 HG13 VAL 75 3HG1 VAL 75 -5.896 9.766 10.633 597 HG21 VAL 75 3HG2 VAL 75 -6.526 7.984 9.107 598 HG22 VAL 75 1HG2 VAL 75 -5.462 7.503 7.786 599 HG23 VAL 75 2HG2 VAL 75 -6.323 9.041 7.710 600 H MET 76 HN MET 76 -2.178 7.723 8.975 601 HA MET 76 HA MET 76 -1.354 6.611 6.423 602 HB2 MET 76 2HB MET 76 0.320 6.868 8.202 603 HB3 MET 76 1HB MET 76 -0.626 5.826 9.257 604 HG2 MET 76 2HG MET 76 -0.306 3.972 7.662 605 HG3 MET 76 1HG MET 76 0.714 5.024 6.684 606 HE1 MET 76 3HE MET 76 3.717 5.703 9.122 607 HE2 MET 76 1HE MET 76 2.251 6.667 8.957 608 HE3 MET 76 2HE MET 76 3.042 6.016 7.521 609 H LEU 77 HN LEU 77 -2.384 4.981 5.460 610 HA LEU 77 HA LEU 77 -4.448 3.546 6.951 611 HB2 LEU 77 2HB LEU 77 -3.784 3.355 4.017 612 HB3 LEU 77 1HB LEU 77 -5.252 2.818 4.807 613 HG LEU 77 HG LEU 77 -4.378 5.688 4.477 614 HD11 LEU 77 1HD1 LEU 77 -6.593 4.120 3.173 615 HD12 LEU 77 2HD1 LEU 77 -5.103 4.654 2.396 616 HD13 LEU 77 3HD1 LEU 77 -6.278 5.842 2.959 617 HD21 LEU 77 3HD2 LEU 77 -6.895 4.530 5.669 618 HD22 LEU 77 1HD2 LEU 77 -6.586 6.242 5.374 619 HD23 LEU 77 2HD2 LEU 77 -5.613 5.361 6.551 620 H GLY 78 HN GLY 78 -1.467 2.968 5.201 621 HA2 GLY 78 2HA GLY 78 -0.563 0.808 6.600 622 HA3 GLY 78 1HA GLY 78 -1.624 0.113 5.380 623 H ASN 79 HN ASN 79 0.246 -0.939 4.480 624 HA ASN 79 HA ASN 79 1.736 0.872 2.723 625 HB2 ASN 79 2HB ASN 79 3.820 -0.326 3.104 626 HB3 ASN 79 1HB ASN 79 3.219 0.331 4.617 627 HD21 ASN 79 1HD2 ASN 79 2.558 -1.057 6.234 628 HD22 ASN 79 2HD2 ASN 79 2.839 -2.758 6.176 629 H PHE 80 HN PHE 80 2.957 -0.430 1.058 630 HA PHE 80 HA PHE 80 1.668 -2.945 0.368 631 HB2 PHE 80 2HB PHE 80 0.991 -2.260 -1.831 632 HB3 PHE 80 1HB PHE 80 0.301 -1.112 -0.692 633 HD1 PHE 80 1HD PHE 80 1.412 1.140 -0.430 634 HD2 PHE 80 2HD PHE 80 2.400 -1.564 -3.566 635 HE1 PHE 80 1HE PHE 80 2.413 2.991 -1.710 636 HE2 PHE 80 2HE PHE 80 3.400 0.278 -4.847 637 HZ PHE 80 HZ PHE 80 3.409 2.558 -3.921 638 H HIS 81 HN HIS 81 2.915 -4.248 -0.967 639 HA HIS 81 HA HIS 81 5.231 -3.120 -2.257 640 HB2 HIS 81 2HB HIS 81 6.907 -4.445 -1.248 641 HB3 HIS 81 1HB HIS 81 6.004 -3.717 0.062 642 HD1 HIS 81 1HD HIS 81 7.332 -6.834 -1.098 643 HD2 HIS 81 2HD HIS 81 4.152 -5.673 1.325 644 HE1 HIS 81 1HE HIS 81 6.688 -8.886 0.215 645 HE2 HIS 81 2HE HIS 81 4.967 -8.079 1.856 646 H SER 82 HN SER 82 5.782 -4.184 -4.062 647 HA SER 82 HA SER 82 3.951 -6.387 -4.785 648 HB2 SER 82 2HB SER 82 5.115 -4.340 -6.678 649 HB3 SER 82 1HB SER 82 3.771 -5.444 -6.971 650 HG SER 82 HG SER 82 3.638 -3.563 -4.882 651 H HIS 83 HN HIS 83 4.774 -8.161 -5.785 652 HA HIS 83 HA HIS 83 7.663 -8.438 -5.784 653 HB2 HIS 83 2HB HIS 83 5.425 -10.398 -6.324 654 HB3 HIS 83 1HB HIS 83 7.130 -10.824 -6.437 655 HD1 HIS 83 1HD HIS 83 4.780 -11.775 -4.323 656 HD2 HIS 83 2HD HIS 83 8.124 -9.391 -3.623 657 HE1 HIS 83 1HE HIS 83 5.245 -11.959 -1.856 658 HE2 HIS 83 2HE HIS 83 7.375 -10.655 -1.496 659 HA PRO 84 HA PRO 84 8.473 -7.334 -9.899 660 HB2 PRO 84 2HB PRO 84 10.188 -9.753 -10.097 661 HB3 PRO 84 1HB PRO 84 10.593 -8.057 -10.376 662 HG2 PRO 84 2HG PRO 84 11.395 -9.296 -8.162 663 HG3 PRO 84 1HG PRO 84 10.850 -7.608 -8.115 664 HD2 PRO 84 2HD PRO 84 9.421 -10.089 -7.261 665 HD3 PRO 84 1HD PRO 84 9.420 -8.475 -6.523 666 H ALA 85 HN ALA 85 8.420 -10.913 -9.837 667 HA ALA 85 HA ALA 85 6.283 -10.859 -11.835 668 HB1 ALA 85 1HB ALA 85 8.366 -10.978 -13.123 669 HB2 ALA 85 2HB ALA 85 7.432 -12.466 -13.271 670 HB3 ALA 85 3HB ALA 85 8.845 -12.412 -12.216 671 H THR 86 HN THR 86 6.862 -11.621 -8.967 672 HA THR 86 HA THR 86 6.071 -14.443 -9.053 673 HB THR 86 HB THR 86 6.654 -13.936 -6.428 674 HG1 THR 86 1HG THR 86 8.663 -12.569 -7.918 675 HG21 THR 86 3HG2 THR 86 7.444 -15.832 -7.786 676 HG22 THR 86 1HG2 THR 86 8.753 -15.111 -6.849 677 HG23 THR 86 2HG2 THR 86 8.612 -14.771 -8.574 678 HA PRO 87 HA PRO 87 2.045 -13.621 -7.696 679 HB2 PRO 87 2HB PRO 87 1.508 -15.529 -5.850 680 HB3 PRO 87 1HB PRO 87 1.710 -15.882 -7.570 681 HG2 PRO 87 2HG PRO 87 3.679 -16.177 -5.332 682 HG3 PRO 87 1HG PRO 87 3.327 -17.292 -6.665 683 HD2 PRO 87 2HD PRO 87 5.462 -15.633 -6.680 684 HD3 PRO 87 1HD PRO 87 4.611 -16.108 -8.163 685 H ALA 88 HN ALA 88 0.547 -13.564 -5.663 686 HA ALA 88 HA ALA 88 1.644 -11.496 -3.954 687 HB1 ALA 88 1HB ALA 88 -0.674 -11.182 -3.228 688 HB2 ALA 88 2HB ALA 88 -1.157 -12.594 -4.167 689 HB3 ALA 88 3HB ALA 88 -0.536 -11.161 -4.987 690 H ARG 89 HN ARG 89 0.022 -11.844 -1.704 691 HA ARG 89 HA ARG 89 -0.081 -12.809 0.338 692 HB2 ARG 89 2HB ARG 89 0.846 -15.238 -1.189 693 HB3 ARG 89 1HB ARG 89 0.579 -15.253 0.545 694 HG2 ARG 89 2HG ARG 89 -1.620 -14.255 -1.169 695 HG3 ARG 89 1HG ARG 89 -1.288 -15.989 -1.178 696 HD2 ARG 89 2HD ARG 89 -1.785 -14.331 1.297 697 HD3 ARG 89 1HD ARG 89 -2.997 -15.330 0.494 698 HE ARG 89 HE ARG 89 -0.510 -16.547 1.504 699 HH11 ARG 89 1HH1 ARG 89 -4.003 -16.206 1.668 700 HH12 ARG 89 2HH1 ARG 89 -4.233 -17.666 2.579 701 HH21 ARG 89 1HH2 ARG 89 -0.799 -18.459 2.700 702 HH22 ARG 89 2HH2 ARG 89 -2.395 -18.954 3.187 703 HA PRO 90 HA PRO 90 4.041 -12.106 1.789 704 HB2 PRO 90 2HB PRO 90 3.654 -12.517 4.429 705 HB3 PRO 90 1HB PRO 90 3.024 -11.092 3.595 706 HG2 PRO 90 2HG PRO 90 1.607 -13.581 4.435 707 HG3 PRO 90 1HG PRO 90 1.043 -11.901 4.465 708 HD2 PRO 90 2HD PRO 90 0.370 -13.737 2.519 709 HD3 PRO 90 1HD PRO 90 0.337 -11.978 2.298 710 H SER 91 HN SER 91 5.800 -13.367 1.868 711 HA SER 91 HA SER 91 5.464 -16.235 2.137 712 HB2 SER 91 2HB SER 91 6.922 -15.168 0.374 713 HB3 SER 91 1HB SER 91 8.026 -14.693 1.663 714 HG SER 91 HG SER 91 8.803 -16.635 1.667 715 H ALA 92 HN ALA 92 7.363 -17.350 3.457 716 HA ALA 92 HA ALA 92 6.715 -16.851 6.138 717 HB1 ALA 92 1HB ALA 92 7.422 -19.043 5.299 718 HB2 ALA 92 2HB ALA 92 8.375 -18.533 6.691 719 HB3 ALA 92 3HB ALA 92 9.058 -18.422 5.070 720 H GLU 93 HN GLU 93 9.762 -16.170 4.390 721 HA GLU 93 HA GLU 93 10.892 -14.821 6.662 722 HB2 GLU 93 2HB GLU 93 12.184 -14.010 4.236 723 HB3 GLU 93 1HB GLU 93 12.808 -14.996 5.544 724 HG2 GLU 93 2HG GLU 93 13.059 -16.271 3.594 725 HG3 GLU 93 1HG GLU 93 11.672 -16.962 4.436 726 H ASP 94 HN ASP 94 9.119 -13.903 3.817 727 HA ASP 94 HA ASP 94 9.574 -11.129 3.831 728 HB2 ASP 94 2HB ASP 94 8.549 -12.396 1.954 729 HB3 ASP 94 1HB ASP 94 7.103 -12.630 2.923 730 H LYS 95 HN LYS 95 7.174 -13.133 5.455 731 HA LYS 95 HA LYS 95 5.669 -10.990 6.545 732 HB2 LYS 95 2HB LYS 95 4.979 -13.444 6.179 733 HB3 LYS 95 1HB LYS 95 5.811 -13.772 7.691 734 HG2 LYS 95 2HG LYS 95 3.807 -11.594 7.704 735 HG3 LYS 95 1HG LYS 95 3.208 -13.246 7.558 736 HD2 LYS 95 2HD LYS 95 5.054 -12.252 9.730 737 HD3 LYS 95 1HD LYS 95 3.310 -12.467 9.899 738 HE2 LYS 95 2HE LYS 95 3.627 -14.870 9.302 739 HE3 LYS 95 1HE LYS 95 5.368 -14.600 9.354 740 HZ1 LYS 95 3HZ LYS 95 5.162 -13.955 11.675 741 HZ2 LYS 95 1HZ LYS 95 4.556 -15.521 11.426 742 HZ3 LYS 95 2HZ LYS 95 3.484 -14.220 11.620 743 H ARG 96 HN ARG 96 8.538 -12.682 7.574 744 HA ARG 96 HA ARG 96 8.462 -11.995 10.321 745 HB2 ARG 96 2HB ARG 96 10.836 -12.609 8.552 746 HB3 ARG 96 1HB ARG 96 10.886 -12.513 10.307 747 HG2 ARG 96 2HG ARG 96 9.222 -14.468 8.732 748 HG3 ARG 96 1HG ARG 96 10.784 -14.823 9.470 749 HD2 ARG 96 2HD ARG 96 8.482 -13.771 11.082 750 HD3 ARG 96 1HD ARG 96 8.661 -15.491 10.747 751 HE ARG 96 HE ARG 96 11.078 -14.833 11.751 752 HH11 ARG 96 1HH1 ARG 96 7.819 -14.213 12.878 753 HH12 ARG 96 2HH1 ARG 96 8.238 -14.321 14.563 754 HH21 ARG 96 1HH2 ARG 96 11.643 -14.955 13.971 755 HH22 ARG 96 2HH2 ARG 96 10.410 -14.755 15.181 756 H LEU 97 HN LEU 97 9.092 -10.129 7.533 757 HA LEU 97 HA LEU 97 10.759 -8.159 8.781 758 HB2 LEU 97 2HB LEU 97 9.191 -8.093 6.205 759 HB3 LEU 97 1HB LEU 97 10.345 -6.876 6.705 760 HG LEU 97 HG LEU 97 10.999 -9.768 6.130 761 HD11 LEU 97 1HD1 LEU 97 11.600 -7.273 4.548 762 HD12 LEU 97 2HD1 LEU 97 10.400 -8.492 4.122 763 HD13 LEU 97 3HD1 LEU 97 12.113 -8.912 4.146 764 HD21 LEU 97 3HD2 LEU 97 12.798 -7.428 6.755 765 HD22 LEU 97 1HD2 LEU 97 13.327 -9.054 6.322 766 HD23 LEU 97 2HD2 LEU 97 12.457 -8.782 7.832 767 H ALA 98 HN ALA 98 7.534 -8.892 9.090 768 HA ALA 98 HA ALA 98 6.520 -6.205 9.292 769 HB1 ALA 98 1HB ALA 98 5.255 -8.828 10.076 770 HB2 ALA 98 2HB ALA 98 5.058 -8.011 8.525 771 HB3 ALA 98 3HB ALA 98 4.439 -7.268 10.002 772 H PHE 99 HN PHE 99 7.555 -5.128 10.856 773 HA PHE 99 HA PHE 99 7.689 -6.256 13.555 774 HB2 PHE 99 2HB PHE 99 8.833 -3.680 12.451 775 HB3 PHE 99 1HB PHE 99 9.099 -4.302 14.076 776 HD1 PHE 99 2HD PHE 99 10.121 -6.708 14.200 777 HD2 PHE 99 1HD PHE 99 10.360 -4.160 10.799 778 HE1 PHE 99 2HE PHE 99 12.067 -7.977 13.391 779 HE2 PHE 99 1HE PHE 99 12.301 -5.429 9.982 780 HZ PHE 99 HZ PHE 99 13.157 -7.343 11.280 781 H ASP 100 HN ASP 100 5.190 -5.480 12.308 782 HA ASP 100 HA ASP 100 4.349 -3.255 14.043 783 HB2 ASP 100 2HB ASP 100 2.601 -2.796 12.430 784 HB3 ASP 100 1HB ASP 100 4.140 -2.864 11.574 785 HA PRO 101 HA PRO 101 1.537 -6.034 16.022 786 HB2 PRO 101 2HB PRO 101 -0.711 -4.183 15.917 787 HB3 PRO 101 1HB PRO 101 0.265 -4.674 17.304 788 HG2 PRO 101 2HG PRO 101 0.362 -2.181 16.243 789 HG3 PRO 101 1HG PRO 101 1.752 -2.948 17.032 790 HD2 PRO 101 2HD PRO 101 1.150 -2.660 14.110 791 HD3 PRO 101 1HD PRO 101 2.698 -2.469 14.964 792 H SER 102 HN SER 102 -0.383 -4.270 13.559 793 HA SER 102 HA SER 102 -1.145 -6.625 12.179 794 HB2 SER 102 2HB SER 102 -3.168 -5.381 14.055 795 HB3 SER 102 1HB SER 102 -3.600 -6.455 12.730 796 HG SER 102 HG SER 102 -1.633 -7.558 14.187 797 H LEU 103 HN LEU 103 -0.028 -4.488 11.114 798 HA LEU 103 HA LEU 103 -2.003 -2.556 10.247 799 HB2 LEU 103 2HB LEU 103 0.888 -3.011 9.585 800 HB3 LEU 103 1HB LEU 103 -0.074 -1.824 8.724 801 HG LEU 103 HG LEU 103 0.481 -1.820 11.694 802 HD11 LEU 103 1HD1 LEU 103 1.524 -0.060 9.477 803 HD12 LEU 103 2HD1 LEU 103 2.451 -1.263 10.375 804 HD13 LEU 103 3HD1 LEU 103 1.825 0.165 11.200 805 HD21 LEU 103 3HD2 LEU 103 -1.706 -0.878 11.186 806 HD22 LEU 103 1HD2 LEU 103 -0.989 0.166 9.958 807 HD23 LEU 103 2HD2 LEU 103 -0.579 0.393 11.658 808 H SER 104 HN SER 104 -1.893 -2.050 7.761 809 HA SER 104 HA SER 104 -2.834 -4.475 6.442 810 HB2 SER 104 2HB SER 104 -3.078 -1.583 5.576 811 HB3 SER 104 1HB SER 104 -3.893 -2.965 4.842 812 HG SER 104 HG SER 104 -4.332 -2.841 7.518 813 H TYR 105 HN TYR 105 -1.468 -5.549 5.219 814 HA TYR 105 HA TYR 105 0.622 -4.070 3.761 815 HB2 TYR 105 2HB TYR 105 0.523 -6.891 4.820 816 HB3 TYR 105 1HB TYR 105 1.670 -6.416 3.574 817 HD1 TYR 105 1HD TYR 105 0.506 -5.201 6.921 818 HD2 TYR 105 2HD TYR 105 3.780 -5.835 4.280 819 HE1 TYR 105 1HE TYR 105 2.052 -4.418 8.659 820 HE2 TYR 105 2HE TYR 105 5.336 -5.051 6.016 821 HH TYR 105 HH TYR 105 4.380 -4.621 9.269 822 H LEU 106 HN LEU 106 -0.090 -3.674 1.758 823 HA LEU 106 HA LEU 106 -1.708 -5.662 0.383 824 HB2 LEU 106 2HB LEU 106 -0.814 -2.886 -0.365 825 HB3 LEU 106 1HB LEU 106 -1.604 -3.951 -1.509 826 HG LEU 106 HG LEU 106 -3.535 -4.077 0.140 827 HD11 LEU 106 1HD1 LEU 106 -2.147 -1.672 1.309 828 HD12 LEU 106 2HD1 LEU 106 -2.359 -3.232 2.105 829 HD13 LEU 106 3HD1 LEU 106 -3.767 -2.242 1.715 830 HD21 LEU 106 3HD2 LEU 106 -3.626 -2.804 -1.927 831 HD22 LEU 106 1HD2 LEU 106 -2.873 -1.426 -1.126 832 HD23 LEU 106 2HD2 LEU 106 -4.478 -1.962 -0.631 833 H ILE 107 HN ILE 107 -0.834 -7.211 -0.802 834 HA ILE 107 HA ILE 107 1.846 -6.741 -1.927 835 HB ILE 107 HB ILE 107 0.549 -9.374 -1.171 836 HG12 ILE 107 2HG1 ILE 107 2.752 -9.574 0.147 837 HG13 ILE 107 1HG1 ILE 107 2.925 -7.846 -0.114 838 HG21 ILE 107 1HG2 ILE 107 3.184 -8.909 -2.564 839 HG22 ILE 107 2HG2 ILE 107 1.735 -9.594 -3.297 840 HG23 ILE 107 3HG2 ILE 107 2.567 -10.466 -2.009 841 HD11 ILE 107 3HD1 ILE 107 0.653 -9.189 1.313 842 HD12 ILE 107 1HD1 ILE 107 0.828 -7.454 1.055 843 HD13 ILE 107 2HD1 ILE 107 1.990 -8.319 2.062 844 H ILE 108 HN ILE 108 1.915 -6.505 -4.043 845 HA ILE 108 HA ILE 108 -0.408 -7.359 -5.628 846 HB ILE 108 HB ILE 108 1.749 -5.348 -6.314 847 HG12 ILE 108 2HG1 ILE 108 -1.143 -4.917 -5.526 848 HG13 ILE 108 1HG1 ILE 108 0.247 -4.611 -4.489 849 HG21 ILE 108 1HG2 ILE 108 -0.804 -6.036 -7.771 850 HG22 ILE 108 2HG2 ILE 108 0.833 -6.422 -8.304 851 HG23 ILE 108 3HG2 ILE 108 0.312 -4.741 -8.200 852 HD11 ILE 108 3HD1 ILE 108 1.023 -2.905 -6.081 853 HD12 ILE 108 1HD1 ILE 108 -0.575 -2.547 -5.427 854 HD13 ILE 108 2HD1 ILE 108 -0.416 -3.192 -7.061 855 H SER 109 HN SER 109 -0.212 -8.833 -7.174 856 HA SER 109 HA SER 109 2.393 -10.085 -7.583 857 HB2 SER 109 2HB SER 109 0.512 -11.562 -7.059 858 HB3 SER 109 1HB SER 109 -0.390 -10.929 -8.434 859 HG SER 109 HG SER 109 0.511 -12.732 -9.227 860 H LEU 110 HN LEU 110 3.595 -9.236 -9.161 861 HA LEU 110 HA LEU 110 2.264 -8.103 -11.513 862 HB2 LEU 110 2HB LEU 110 4.416 -7.235 -9.947 863 HB3 LEU 110 1HB LEU 110 5.137 -7.767 -11.452 864 HG LEU 110 HG LEU 110 4.644 -5.368 -11.478 865 HD11 LEU 110 1HD1 LEU 110 3.389 -5.290 -13.583 866 HD12 LEU 110 2HD1 LEU 110 2.907 -6.971 -13.350 867 HD13 LEU 110 3HD1 LEU 110 4.607 -6.565 -13.590 868 HD21 LEU 110 3HD2 LEU 110 2.332 -4.577 -11.489 869 HD22 LEU 110 1HD2 LEU 110 2.732 -5.370 -9.965 870 HD23 LEU 110 2HD2 LEU 110 1.767 -6.218 -11.173 871 H ALA 111 HN ALA 111 2.707 -10.997 -10.916 872 HA ALA 111 HA ALA 111 4.623 -12.150 -12.556 873 HB1 ALA 111 1HB ALA 111 1.830 -13.162 -12.013 874 HB2 ALA 111 2HB ALA 111 3.239 -13.425 -10.986 875 HB3 ALA 111 3HB ALA 111 3.186 -14.123 -12.604 876 H GLU 112 HN GLU 112 1.424 -10.896 -13.319 877 HA GLU 112 HA GLU 112 2.290 -10.588 -16.100 878 HB2 GLU 112 2HB GLU 112 0.773 -12.680 -15.673 879 HB3 GLU 112 1HB GLU 112 -0.514 -11.497 -15.500 880 HG2 GLU 112 2HG GLU 112 -0.578 -12.273 -17.726 881 HG3 GLU 112 1HG GLU 112 0.091 -10.641 -17.770 882 HA PRO 113 HA PRO 113 0.331 -6.654 -15.220 883 HB2 PRO 113 2HB PRO 113 0.505 -5.958 -18.025 884 HB3 PRO 113 1HB PRO 113 1.463 -5.343 -16.676 885 HG2 PRO 113 2HG PRO 113 2.490 -6.926 -18.649 886 HG3 PRO 113 1HG PRO 113 3.139 -6.867 -17.001 887 HD2 PRO 113 2HD PRO 113 1.319 -8.895 -18.248 888 HD3 PRO 113 1HD PRO 113 2.698 -9.136 -17.151 889 H GLN 114 HN GLN 114 -0.797 -8.974 -17.413 890 HA GLN 114 HA GLN 114 -3.189 -7.628 -18.217 891 HB2 GLN 114 2HB GLN 114 -2.480 -10.565 -18.324 892 HB3 GLN 114 1HB GLN 114 -3.848 -9.814 -19.133 893 HG2 GLN 114 2HG GLN 114 -0.932 -9.331 -19.684 894 HG3 GLN 114 1HG GLN 114 -2.089 -10.170 -20.717 895 HE21 GLN 114 1HE2 GLN 114 -3.680 -8.969 -21.788 896 HE22 GLN 114 2HE2 GLN 114 -3.508 -7.266 -22.044 897 H LYS 115 HN LYS 115 -2.202 -9.669 -15.601 898 HA LYS 115 HA LYS 115 -4.708 -9.138 -14.260 899 HB2 LYS 115 2HB LYS 115 -3.834 -11.878 -15.057 900 HB3 LYS 115 1HB LYS 115 -4.600 -11.673 -13.489 901 HG2 LYS 115 2HG LYS 115 -5.778 -10.907 -16.153 902 HG3 LYS 115 1HG LYS 115 -6.237 -12.297 -15.164 903 HD2 LYS 115 2HD LYS 115 -7.046 -10.860 -13.421 904 HD3 LYS 115 1HD LYS 115 -6.424 -9.432 -14.249 905 HE2 LYS 115 2HE LYS 115 -7.974 -9.979 -16.144 906 HE3 LYS 115 1HE LYS 115 -8.683 -11.225 -15.115 907 HZ1 LYS 115 3HZ LYS 115 -8.544 -8.339 -14.424 908 HZ2 LYS 115 1HZ LYS 115 -9.315 -9.550 -13.522 909 HZ3 LYS 115 2HZ LYS 115 -9.917 -9.113 -15.045 910 HA PRO 116 HA PRO 116 -1.174 -8.943 -11.351 911 HB2 PRO 116 2HB PRO 116 -1.893 -6.238 -10.757 912 HB3 PRO 116 1HB PRO 116 -0.462 -6.807 -11.614 913 HG2 PRO 116 2HG PRO 116 -2.499 -5.331 -12.758 914 HG3 PRO 116 1HG PRO 116 -1.362 -6.352 -13.654 915 HD2 PRO 116 2HD PRO 116 -4.164 -6.942 -12.787 916 HD3 PRO 116 1HD PRO 116 -3.342 -7.360 -14.307 917 H VAL 117 HN VAL 117 -1.939 -10.080 -9.646 918 HA VAL 117 HA VAL 117 -4.536 -9.644 -8.558 919 HB VAL 117 HB VAL 117 -2.237 -11.213 -7.363 920 HG11 VAL 117 1HG1 VAL 117 -5.194 -11.331 -6.779 921 HG12 VAL 117 2HG1 VAL 117 -3.955 -10.656 -5.721 922 HG13 VAL 117 3HG1 VAL 117 -3.958 -12.381 -6.086 923 HG21 VAL 117 3HG2 VAL 117 -3.336 -13.176 -8.339 924 HG22 VAL 117 1HG2 VAL 117 -2.820 -12.031 -9.577 925 HG23 VAL 117 2HG2 VAL 117 -4.519 -12.122 -9.114 926 H CYS 118 HN CYS 118 -5.107 -8.072 -7.250 927 HA CYS 118 HA CYS 118 -3.085 -6.931 -5.432 928 HB2 CYS 118 2HB CYS 118 -5.559 -5.568 -6.517 929 HB3 CYS 118 1HB CYS 118 -4.287 -4.829 -5.551 930 HG CYS 118 HG CYS 118 -3.635 -6.156 -8.629 931 H LYS 119 HN LYS 119 -3.411 -7.536 -3.385 932 HA LYS 119 HA LYS 119 -6.152 -7.479 -2.343 933 HB2 LYS 119 2HB LYS 119 -4.160 -9.685 -1.787 934 HB3 LYS 119 1HB LYS 119 -5.676 -9.473 -0.936 935 HG2 LYS 119 2HG LYS 119 -5.420 -10.022 -3.884 936 HG3 LYS 119 1HG LYS 119 -5.764 -11.234 -2.650 937 HD2 LYS 119 2HD LYS 119 -7.809 -9.966 -2.043 938 HD3 LYS 119 1HD LYS 119 -7.475 -8.854 -3.372 939 HE2 LYS 119 2HE LYS 119 -7.550 -10.799 -4.927 940 HE3 LYS 119 1HE LYS 119 -8.053 -11.807 -3.571 941 HZ1 LYS 119 3HZ LYS 119 -9.964 -11.107 -4.821 942 HZ2 LYS 119 1HZ LYS 119 -9.526 -9.474 -4.676 943 HZ3 LYS 119 2HZ LYS 119 -10.001 -10.345 -3.304 944 H SER 120 HN SER 120 -6.172 -7.353 0.033 945 HA SER 120 HA SER 120 -3.778 -5.984 1.061 946 HB2 SER 120 2HB SER 120 -6.663 -5.598 1.906 947 HB3 SER 120 1HB SER 120 -5.271 -4.701 2.513 948 HG SER 120 HG SER 120 -5.323 -4.587 -0.167 949 H PHE 121 HN PHE 121 -2.740 -7.111 2.594 950 HA PHE 121 HA PHE 121 -4.270 -9.206 3.977 951 HB2 PHE 121 2HB PHE 121 -1.288 -9.031 3.499 952 HB3 PHE 121 1HB PHE 121 -2.122 -10.350 4.312 953 HD1 PHE 121 1HD PHE 121 -3.701 -11.777 3.025 954 HD2 PHE 121 2HD PHE 121 -1.161 -8.927 1.142 955 HE1 PHE 121 1HE PHE 121 -4.036 -12.905 0.868 956 HE2 PHE 121 2HE PHE 121 -1.488 -10.056 -1.019 957 HZ PHE 121 HZ PHE 121 -2.929 -12.047 -1.156 958 H LEU 122 HN LEU 122 -4.540 -9.096 6.081 959 HA LEU 122 HA LEU 122 -3.156 -7.007 7.591 960 HB2 LEU 122 2HB LEU 122 -5.476 -8.801 8.329 961 HB3 LEU 122 1HB LEU 122 -4.807 -7.551 9.361 962 HG LEU 122 HG LEU 122 -6.127 -7.063 6.689 963 HD11 LEU 122 1HD1 LEU 122 -7.739 -7.826 8.339 964 HD12 LEU 122 2HD1 LEU 122 -7.955 -6.106 8.017 965 HD13 LEU 122 3HD1 LEU 122 -7.146 -6.633 9.494 966 HD21 LEU 122 3HD2 LEU 122 -5.159 -5.157 8.815 967 HD22 LEU 122 1HD2 LEU 122 -6.048 -4.710 7.359 968 HD23 LEU 122 2HD2 LEU 122 -4.431 -5.401 7.227 969 H ILE 123 HN ILE 123 -1.276 -7.622 8.441 970 HA ILE 123 HA ILE 123 -0.810 -10.417 9.078 971 HB ILE 123 HB ILE 123 1.040 -8.031 9.319 972 HG12 ILE 123 2HG1 ILE 123 0.893 -10.248 7.261 973 HG13 ILE 123 1HG1 ILE 123 0.450 -8.567 6.995 974 HG21 ILE 123 1HG2 ILE 123 2.824 -9.682 9.620 975 HG22 ILE 123 2HG2 ILE 123 1.631 -10.980 9.593 976 HG23 ILE 123 3HG2 ILE 123 1.619 -9.799 10.903 977 HD11 ILE 123 3HD1 ILE 123 3.204 -9.591 7.633 978 HD12 ILE 123 1HD1 ILE 123 2.766 -7.903 7.376 979 HD13 ILE 123 2HD1 ILE 123 2.626 -9.061 6.053 980 H LYS 124 HN LYS 124 -1.618 -11.108 10.914 981 HA LYS 124 HA LYS 124 -1.536 -9.334 13.261 982 HB2 LYS 124 2HB LYS 124 -3.353 -11.711 12.796 983 HB3 LYS 124 1HB LYS 124 -3.440 -10.565 14.125 984 HG2 LYS 124 2HG LYS 124 -4.127 -8.809 12.638 985 HG3 LYS 124 1HG LYS 124 -3.877 -9.849 11.234 986 HD2 LYS 124 2HD LYS 124 -5.628 -11.365 12.083 987 HD3 LYS 124 1HD LYS 124 -5.898 -10.265 13.436 988 HE2 LYS 124 2HE LYS 124 -6.558 -8.502 11.894 989 HE3 LYS 124 1HE LYS 124 -6.230 -9.560 10.521 990 HZ1 LYS 124 3HZ LYS 124 -8.600 -9.477 11.061 991 HZ2 LYS 124 1HZ LYS 124 -8.278 -10.053 12.623 992 HZ3 LYS 124 2HZ LYS 124 -7.980 -11.042 11.278 993 H LYS 125 HN LYS 125 -1.454 -10.636 15.346 994 HA LYS 125 HA LYS 125 0.875 -12.195 15.492 995 HB2 LYS 125 2HB LYS 125 -0.219 -10.935 17.375 996 HB3 LYS 125 1HB LYS 125 -1.440 -12.186 17.438 997 HG2 LYS 125 2HG LYS 125 1.429 -12.948 17.704 998 HG3 LYS 125 1HG LYS 125 0.588 -12.226 19.074 999 HD2 LYS 125 2HD LYS 125 -0.693 -14.505 17.638 1000 HD3 LYS 125 1HD LYS 125 0.649 -14.836 18.730 1001 HE2 LYS 125 2HE LYS 125 -1.445 -15.072 19.913 1002 HE3 LYS 125 1HE LYS 125 -0.556 -13.686 20.537 1003 HZ1 LYS 125 3HZ LYS 125 -2.843 -13.563 18.629 1004 HZ2 LYS 125 1HZ LYS 125 -1.989 -12.228 19.242 1005 HZ3 LYS 125 2HZ LYS 125 -2.902 -13.197 20.286 1006 H ASP 126 HN ASP 126 -2.514 -13.076 15.676 1007 HA ASP 126 HA ASP 126 -2.119 -15.863 15.906 1008 HB2 ASP 126 2HB ASP 126 -4.564 -14.332 15.011 1009 HB3 ASP 126 1HB ASP 126 -4.539 -16.030 15.477 1010 H GLY 127 HN GLY 127 -2.007 -13.824 13.143 1011 HA2 GLY 127 2HA GLY 127 -0.965 -15.507 11.359 1012 HA3 GLY 127 1HA GLY 127 -2.660 -15.968 11.287 1013 H VAL 128 HN VAL 128 -2.358 -15.299 9.010 1014 HA VAL 128 HA VAL 128 -2.483 -12.379 8.697 1015 HB VAL 128 HB VAL 128 -0.685 -13.419 7.398 1016 HG11 VAL 128 1HG1 VAL 128 -2.873 -14.958 6.011 1017 HG12 VAL 128 2HG1 VAL 128 -1.623 -15.632 7.059 1018 HG13 VAL 128 3HG1 VAL 128 -1.183 -14.900 5.516 1019 HG21 VAL 128 3HG2 VAL 128 -1.287 -12.514 5.174 1020 HG22 VAL 128 1HG2 VAL 128 -1.691 -11.419 6.497 1021 HG23 VAL 128 2HG2 VAL 128 -2.958 -12.366 5.719 1022 H ASP 129 HN ASP 129 -4.258 -11.428 7.898 1023 HA ASP 129 HA ASP 129 -6.526 -13.178 7.176 1024 HB2 ASP 129 2HB ASP 129 -6.780 -12.103 9.388 1025 HB3 ASP 129 1HB ASP 129 -6.571 -10.526 8.639 1026 H GLU 130 HN GLU 130 -7.903 -12.435 5.480 1027 HA GLU 130 HA GLU 130 -6.509 -10.606 3.698 1028 HB2 GLU 130 2HB GLU 130 -7.947 -11.549 1.947 1029 HB3 GLU 130 1HB GLU 130 -6.982 -12.765 2.754 1030 HG2 GLU 130 2HG GLU 130 -8.870 -13.565 3.955 1031 HG3 GLU 130 1HG GLU 130 -9.863 -12.212 3.412 1032 H GLU 131 HN GLU 131 -7.199 -8.676 3.265 1033 HA GLU 131 HA GLU 131 -9.975 -7.924 3.887 1034 HB2 GLU 131 2HB GLU 131 -8.283 -6.587 5.048 1035 HB3 GLU 131 1HB GLU 131 -7.487 -6.234 3.521 1036 HG2 GLU 131 2HG GLU 131 -8.740 -4.325 4.171 1037 HG3 GLU 131 1HG GLU 131 -9.542 -5.062 2.784 1038 H GLU 132 HN GLU 132 -11.283 -7.278 2.214 1039 HA GLU 132 HA GLU 132 -10.191 -7.743 -0.442 1040 HB2 GLU 132 2HB GLU 132 -12.335 -8.810 0.416 1041 HB3 GLU 132 1HB GLU 132 -13.074 -7.222 0.252 1042 HG2 GLU 132 2HG GLU 132 -13.453 -8.760 -1.662 1043 HG3 GLU 132 1HG GLU 132 -12.726 -7.215 -2.099 1044 H ILE 133 HN ILE 133 -10.380 -6.305 -2.145 1045 HA ILE 133 HA ILE 133 -10.349 -3.510 -1.251 1046 HB ILE 133 HB ILE 133 -9.224 -4.712 -3.786 1047 HG12 ILE 133 2HG1 ILE 133 -7.818 -3.758 -1.280 1048 HG13 ILE 133 1HG1 ILE 133 -8.020 -5.437 -1.756 1049 HG21 ILE 133 1HG2 ILE 133 -8.113 -2.542 -4.063 1050 HG22 ILE 133 2HG2 ILE 133 -8.953 -1.935 -2.637 1051 HG23 ILE 133 3HG2 ILE 133 -9.870 -2.383 -4.075 1052 HD11 ILE 133 3HD1 ILE 133 -6.671 -5.025 -3.758 1053 HD12 ILE 133 1HD1 ILE 133 -5.788 -4.670 -2.273 1054 HD13 ILE 133 2HD1 ILE 133 -6.444 -3.353 -3.244 1055 H ILE 134 HN ILE 134 -11.966 -2.246 -1.717 1056 HA ILE 134 HA ILE 134 -13.694 -2.869 -4.010 1057 HB ILE 134 HB ILE 134 -14.163 -1.234 -1.513 1058 HG12 ILE 134 2HG1 ILE 134 -16.229 -2.690 -1.421 1059 HG13 ILE 134 1HG1 ILE 134 -15.569 -3.596 -2.774 1060 HG21 ILE 134 1HG2 ILE 134 -16.350 -0.567 -2.437 1061 HG22 ILE 134 2HG2 ILE 134 -15.876 -1.242 -3.995 1062 HG23 ILE 134 3HG2 ILE 134 -14.995 0.130 -3.323 1063 HD11 ILE 134 3HD1 ILE 134 -13.634 -4.206 -1.408 1064 HD12 ILE 134 1HD1 ILE 134 -15.151 -4.732 -0.679 1065 HD13 ILE 134 2HD1 ILE 134 -14.319 -3.310 -0.052 1066 H LEU 135 HN LEU 135 -13.927 -1.403 -5.688 1067 HA LEU 135 HA LEU 135 -11.851 0.650 -5.767 1068 HB2 LEU 135 2HB LEU 135 -13.578 -0.467 -7.974 1069 HB3 LEU 135 1HB LEU 135 -12.287 0.697 -8.188 1070 HG LEU 135 HG LEU 135 -12.011 -2.180 -7.328 1071 HD11 LEU 135 1HD1 LEU 135 -10.697 -2.375 -9.374 1072 HD12 LEU 135 2HD1 LEU 135 -11.009 -0.678 -9.741 1073 HD13 LEU 135 3HD1 LEU 135 -12.341 -1.836 -9.717 1074 HD21 LEU 135 3HD2 LEU 135 -10.460 -0.806 -6.049 1075 HD22 LEU 135 1HD2 LEU 135 -9.888 -0.047 -7.534 1076 HD23 LEU 135 2HD2 LEU 135 -9.601 -1.765 -7.254 1077 H LYS 136 HN LYS 136 -12.210 2.771 -6.279 1078 HA LYS 136 HA LYS 136 -15.015 3.670 -6.341 1079 HB2 LYS 136 2HB LYS 136 -13.794 4.266 -4.252 1080 HB3 LYS 136 1HB LYS 136 -12.656 5.191 -5.204 1081 HG2 LYS 136 2HG LYS 136 -14.315 6.770 -5.793 1082 HG3 LYS 136 1HG LYS 136 -15.609 5.739 -5.180 1083 HD2 LYS 136 2HD LYS 136 -15.093 7.604 -3.648 1084 HD3 LYS 136 1HD LYS 136 -14.809 6.030 -2.906 1085 HE2 LYS 136 2HE LYS 136 -12.415 6.252 -3.351 1086 HE3 LYS 136 1HE LYS 136 -12.696 7.817 -4.110 1087 HZ1 LYS 136 3HZ LYS 136 -13.320 7.182 -1.280 1088 HZ2 LYS 136 1HZ LYS 136 -13.446 8.697 -2.022 1089 HZ3 LYS 136 2HZ LYS 136 -11.918 7.989 -1.797 1090 H GLU 137 HN GLU 137 -15.584 5.038 -7.927 1091 HA GLU 137 HA GLU 137 -13.933 5.060 -10.259 1092 HB2 GLU 137 2HB GLU 137 -16.473 4.896 -10.080 1093 HB3 GLU 137 1HB GLU 137 -16.456 6.631 -9.850 1094 HG2 GLU 137 2HG GLU 137 -15.159 6.751 -12.033 1095 HG3 GLU 137 1HG GLU 137 -15.649 5.074 -12.277 1096 H GLU 138 HN GLU 138 -14.515 7.205 -7.705 1097 HA GLU 138 HA GLU 138 -13.079 9.379 -9.089 1098 HB2 GLU 138 2HB GLU 138 -15.476 9.859 -9.277 1099 HB3 GLU 138 1HB GLU 138 -15.666 9.684 -7.541 1100 HG2 GLU 138 2HG GLU 138 -15.659 12.008 -8.091 1101 HG3 GLU 138 1HG GLU 138 -14.173 11.631 -7.223 1102 H LEU 139 HN LEU 139 -12.053 10.902 -7.654 1103 HA LEU 139 HA LEU 139 -11.055 9.758 -5.237 1104 HB2 LEU 139 2HB LEU 139 -10.914 12.589 -6.279 1105 HB3 LEU 139 1HB LEU 139 -10.037 12.001 -4.881 1106 HG LEU 139 HG LEU 139 -9.670 11.035 -7.718 1107 HD11 LEU 139 1HD1 LEU 139 -7.938 12.761 -5.954 1108 HD12 LEU 139 2HD1 LEU 139 -8.798 13.270 -7.408 1109 HD13 LEU 139 3HD1 LEU 139 -7.470 12.116 -7.528 1110 HD21 LEU 139 3HD2 LEU 139 -9.277 9.254 -6.110 1111 HD22 LEU 139 1HD2 LEU 139 -8.204 10.304 -5.185 1112 HD23 LEU 139 2HD2 LEU 139 -7.755 9.801 -6.814 1113 H GLU 140 HN GLU 140 -11.194 10.986 -3.111 1114 HA GLU 140 HA GLU 140 -13.974 11.235 -2.439 1115 HB2 GLU 140 2HB GLU 140 -12.154 10.227 -0.979 1116 HB3 GLU 140 1HB GLU 140 -11.635 11.872 -0.644 1117 HG2 GLU 140 2HG GLU 140 -13.078 10.934 1.114 1118 HG3 GLU 140 1HG GLU 140 -13.747 12.391 0.377 1119 H HIS 141 HN HIS 141 -13.792 13.082 -4.218 1120 HA HIS 141 HA HIS 141 -14.368 15.217 -4.675 1121 HB2 HIS 141 2HB HIS 141 -14.875 15.418 -1.699 1122 HB3 HIS 141 1HB HIS 141 -15.512 16.495 -2.941 1123 HD1 HIS 141 1HD HIS 141 -16.494 13.700 -0.985 1124 HD2 HIS 141 2HD HIS 141 -17.107 14.852 -4.934 1125 HE1 HIS 141 1HE HIS 141 -18.428 12.317 -1.803 1126 HE2 HIS 141 2HE HIS 141 -18.676 12.911 -4.245 1127 H HIS 142 HN HIS 142 -11.691 14.756 -4.452 1128 HA HIS 142 HA HIS 142 -9.753 15.918 -4.615 1129 HB2 HIS 142 2HB HIS 142 -11.429 18.345 -3.923 1130 HB3 HIS 142 1HB HIS 142 -9.790 18.373 -4.566 1131 HD1 HIS 142 1HD HIS 142 -13.301 18.319 -5.591 1132 HD2 HIS 142 2HD HIS 142 -9.636 17.297 -7.292 1133 HE1 HIS 142 1HE HIS 142 -13.722 18.129 -8.066 1134 HE2 HIS 142 2HE HIS 142 -11.526 17.398 -9.061 1135 H HIS 143 HN HIS 143 -8.682 18.003 -3.062 1136 HA HIS 143 HA HIS 143 -7.920 16.521 -0.791 1137 HB2 HIS 143 2HB HIS 143 -6.598 18.429 -0.121 1138 HB3 HIS 143 1HB HIS 143 -6.466 18.222 -1.860 1139 HD1 HIS 143 1HD HIS 143 -7.498 20.070 -3.359 1140 HD2 HIS 143 2HD HIS 143 -7.779 20.808 0.725 1141 HE1 HIS 143 1HE HIS 143 -8.115 22.499 -3.150 1142 HE2 HIS 143 2HE HIS 143 -8.077 22.969 -0.669 1143 H HIS 144 HN HIS 144 -10.365 18.954 -1.272 1144 HA HIS 144 HA HIS 144 -12.152 19.583 -0.050 1145 HB2 HIS 144 2HB HIS 144 -12.598 17.195 0.104 1146 HB3 HIS 144 1HB HIS 144 -11.546 17.068 1.509 1147 HD1 HIS 144 1HD HIS 144 -14.864 18.525 0.456 1148 HD2 HIS 144 2HD HIS 144 -12.732 17.668 3.920 1149 HE1 HIS 144 1HE HIS 144 -16.470 18.912 2.355 1150 HE2 HIS 144 2HE HIS 144 -15.096 18.572 4.446 1151 H HIS 145 HN HIS 145 -11.595 21.485 0.852 1152 HA HIS 145 HA HIS 145 -11.334 21.567 3.687 1153 HB2 HIS 145 2HB HIS 145 -8.943 21.091 2.887 1154 HB3 HIS 145 1HB HIS 145 -8.965 22.715 2.209 1155 HD1 HIS 145 1HD HIS 145 -8.448 24.615 3.777 1156 HD2 HIS 145 2HD HIS 145 -9.192 21.037 5.774 1157 HE1 HIS 145 1HE HIS 145 -7.870 25.047 6.192 1158 HE2 HIS 145 2HE HIS 145 -8.334 22.875 7.389 1159 H HIS 146 HN HIS 146 -12.560 23.249 4.230 1160 HA HIS 146 HA HIS 146 -12.862 25.418 2.285 1161 HB2 HIS 146 2HB HIS 146 -14.879 26.073 3.456 1162 HB3 HIS 146 1HB HIS 146 -14.949 24.356 3.094 1163 HD1 HIS 146 1HD HIS 146 -14.626 26.761 5.975 1164 HD2 HIS 146 2HD HIS 146 -15.105 22.684 5.306 1165 HE1 HIS 146 1HE HIS 146 -15.235 25.776 8.203 1166 HE2 HIS 146 2HE HIS 146 -15.673 23.335 7.742 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -13.734 -2.417 5.261 2 H2 MET 1 H2 MET 1 -12.300 -3.206 5.686 3 H3 MET 1 H3 MET 1 -13.662 -4.110 5.266 4 HA MET 1 HA MET 1 -12.060 -4.091 3.484 5 HB2 MET 1 2HB MET 1 -13.528 -3.524 1.697 6 HB3 MET 1 1HB MET 1 -14.546 -4.095 3.010 7 HG2 MET 1 2HG MET 1 -14.050 -1.206 2.335 8 HG3 MET 1 1HG MET 1 -15.471 -2.134 1.863 9 HE1 MET 1 2HE MET 1 -15.413 0.670 3.472 10 HE2 MET 1 3HE MET 1 -16.680 0.403 4.669 11 HE3 MET 1 1HE MET 1 -16.922 -0.111 3.000 12 H ILE 2 HN ILE 2 -11.099 -2.820 1.729 13 HA ILE 2 HA ILE 2 -10.409 -0.099 2.629 14 HB ILE 2 HB ILE 2 -8.468 -1.565 2.624 15 HG12 ILE 2 2HG1 ILE 2 -8.368 0.336 0.270 16 HG13 ILE 2 1HG1 ILE 2 -8.181 0.802 1.957 17 HG21 ILE 2 1HG2 ILE 2 -9.190 -3.240 1.040 18 HG22 ILE 2 2HG2 ILE 2 -7.629 -2.584 0.546 19 HG23 ILE 2 3HG2 ILE 2 -9.101 -2.075 -0.280 20 HD11 ILE 2 3HD1 ILE 2 -6.354 -1.009 0.400 21 HD12 ILE 2 1HD1 ILE 2 -6.174 -0.588 2.102 22 HD13 ILE 2 2HD1 ILE 2 -6.035 0.662 0.867 23 H THR 3 HN THR 3 -10.584 1.585 1.197 24 HA THR 3 HA THR 3 -11.778 0.920 -1.414 25 HB THR 3 HB THR 3 -12.446 3.307 0.324 26 HG1 THR 3 1HG THR 3 -13.391 0.754 0.267 27 HG21 THR 3 3HG2 THR 3 -13.674 2.336 -2.264 28 HG22 THR 3 1HG2 THR 3 -12.652 3.762 -2.079 29 HG23 THR 3 2HG2 THR 3 -14.233 3.705 -1.303 30 H LEU 4 HN LEU 4 -10.589 1.525 -3.054 31 HA LEU 4 HA LEU 4 -9.345 4.134 -3.087 32 HB2 LEU 4 2HB LEU 4 -7.205 3.181 -4.020 33 HB3 LEU 4 1HB LEU 4 -7.456 2.964 -2.304 34 HG LEU 4 HG LEU 4 -8.349 0.608 -3.000 35 HD11 LEU 4 1HD1 LEU 4 -8.365 0.984 -5.396 36 HD12 LEU 4 2HD1 LEU 4 -7.212 -0.285 -4.983 37 HD13 LEU 4 3HD1 LEU 4 -6.636 1.337 -5.373 38 HD21 LEU 4 3HD2 LEU 4 -5.421 1.325 -3.104 39 HD22 LEU 4 1HD2 LEU 4 -6.077 -0.286 -2.816 40 HD23 LEU 4 2HD2 LEU 4 -6.362 1.004 -1.648 41 H THR 5 HN THR 5 -8.453 4.547 -5.385 42 HA THR 5 HA THR 5 -10.639 3.690 -7.128 43 HB THR 5 HB THR 5 -10.108 5.544 -8.553 44 HG1 THR 5 1HG THR 5 -8.222 6.915 -7.664 45 HG21 THR 5 3HG2 THR 5 -11.346 6.118 -6.543 46 HG22 THR 5 1HG2 THR 5 -10.263 7.438 -6.989 47 HG23 THR 5 2HG2 THR 5 -9.836 6.357 -5.659 48 H LYS 6 HN LYS 6 -10.208 3.076 -9.339 49 HA LYS 6 HA LYS 6 -8.335 1.038 -9.644 50 HB2 LYS 6 2HB LYS 6 -10.392 1.515 -11.050 51 HB3 LYS 6 1HB LYS 6 -9.441 2.718 -11.891 52 HG2 LYS 6 2HG LYS 6 -7.953 1.086 -12.747 53 HG3 LYS 6 1HG LYS 6 -8.635 -0.169 -11.709 54 HD2 LYS 6 2HD LYS 6 -10.707 -0.124 -12.917 55 HD3 LYS 6 1HD LYS 6 -10.181 1.271 -13.862 56 HE2 LYS 6 2HE LYS 6 -8.779 -1.394 -13.892 57 HE3 LYS 6 1HE LYS 6 -10.036 -0.944 -15.042 58 HZ1 LYS 6 3HZ LYS 6 -8.698 0.782 -15.901 59 HZ2 LYS 6 1HZ LYS 6 -7.692 -0.580 -15.802 60 HZ3 LYS 6 2HZ LYS 6 -7.567 0.658 -14.645 61 H LYS 7 HN LYS 7 -8.219 4.418 -10.528 62 HA LYS 7 HA LYS 7 -5.811 4.577 -11.868 63 HB2 LYS 7 2HB LYS 7 -7.330 6.417 -11.751 64 HB3 LYS 7 1HB LYS 7 -7.228 6.470 -10.002 65 HG2 LYS 7 2HG LYS 7 -5.998 8.275 -10.882 66 HG3 LYS 7 1HG LYS 7 -4.855 7.114 -10.213 67 HD2 LYS 7 2HD LYS 7 -4.508 6.227 -12.512 68 HD3 LYS 7 1HD LYS 7 -5.536 7.525 -13.124 69 HE2 LYS 7 2HE LYS 7 -2.913 7.806 -11.673 70 HE3 LYS 7 1HE LYS 7 -3.239 8.179 -13.366 71 HZ1 LYS 7 3HZ LYS 7 -4.285 9.596 -10.979 72 HZ2 LYS 7 1HZ LYS 7 -4.840 9.881 -12.558 73 HZ3 LYS 7 2HZ LYS 7 -3.224 10.203 -12.154 74 H GLN 8 HN GLN 8 -6.425 4.894 -8.372 75 HA GLN 8 HA GLN 8 -3.749 5.321 -7.598 76 HB2 GLN 8 2HB GLN 8 -5.966 3.994 -6.013 77 HB3 GLN 8 1HB GLN 8 -4.500 4.684 -5.340 78 HG2 GLN 8 2HG GLN 8 -6.679 6.185 -6.763 79 HG3 GLN 8 1HG GLN 8 -6.397 6.155 -5.027 80 HE21 GLN 8 1HE2 GLN 8 -4.707 7.330 -4.167 81 HE22 GLN 8 2HE2 GLN 8 -3.873 8.545 -5.068 82 H MET 9 HN MET 9 -5.603 2.331 -8.051 83 HA MET 9 HA MET 9 -3.562 0.576 -7.173 84 HB2 MET 9 2HB MET 9 -5.834 -0.224 -7.382 85 HB3 MET 9 1HB MET 9 -5.845 0.134 -9.101 86 HG2 MET 9 2HG MET 9 -4.195 -1.579 -9.511 87 HG3 MET 9 1HG MET 9 -4.058 -1.897 -7.784 88 HE1 MET 9 3HE MET 9 -7.509 -3.468 -6.928 89 HE2 MET 9 1HE MET 9 -6.948 -1.809 -6.722 90 HE3 MET 9 2HE MET 9 -5.872 -3.155 -6.350 91 H GLU 10 HN GLU 10 -4.471 1.765 -10.388 92 HA GLU 10 HA GLU 10 -2.517 0.474 -11.884 93 HB2 GLU 10 2HB GLU 10 -4.116 2.981 -12.191 94 HB3 GLU 10 1HB GLU 10 -2.889 2.579 -13.367 95 HG2 GLU 10 2HG GLU 10 -3.994 0.470 -13.840 96 HG3 GLU 10 1HG GLU 10 -5.207 0.826 -12.612 97 H GLU 11 HN GLU 11 -2.416 3.518 -10.110 98 HA GLU 11 HA GLU 11 0.104 4.408 -10.930 99 HB2 GLU 11 2HB GLU 11 -1.654 4.854 -8.554 100 HB3 GLU 11 1HB GLU 11 -0.035 5.507 -8.543 101 HG2 GLU 11 2HG GLU 11 -2.224 6.109 -10.507 102 HG3 GLU 11 1HG GLU 11 -1.542 7.196 -9.297 103 H MET 12 HN MET 12 -0.876 2.256 -8.287 104 HA MET 12 HA MET 12 1.755 1.854 -7.283 105 HB2 MET 12 2HB MET 12 -0.711 0.116 -7.038 106 HB3 MET 12 1HB MET 12 0.785 -0.143 -6.153 107 HG2 MET 12 2HG MET 12 0.518 2.111 -5.151 108 HG3 MET 12 1HG MET 12 -1.056 2.224 -5.936 109 HE1 MET 12 3HE MET 12 -2.048 -0.845 -5.668 110 HE2 MET 12 1HE MET 12 -3.079 0.563 -5.409 111 HE3 MET 12 2HE MET 12 -3.011 -0.715 -4.196 112 H LEU 13 HN LEU 13 -0.256 0.179 -9.652 113 HA LEU 13 HA LEU 13 1.407 -2.022 -10.145 114 HB2 LEU 13 2HB LEU 13 -0.482 -0.565 -11.991 115 HB3 LEU 13 1HB LEU 13 0.251 -2.113 -12.353 116 HG LEU 13 HG LEU 13 -1.651 -1.569 -10.068 117 HD11 LEU 13 1HD1 LEU 13 -3.227 -2.925 -11.348 118 HD12 LEU 13 2HD1 LEU 13 -2.061 -3.048 -12.665 119 HD13 LEU 13 3HD1 LEU 13 -2.752 -1.481 -12.243 120 HD21 LEU 13 3HD2 LEU 13 -1.648 -3.988 -9.767 121 HD22 LEU 13 1HD2 LEU 13 -0.030 -3.324 -9.547 122 HD23 LEU 13 2HD2 LEU 13 -0.446 -4.157 -11.045 123 H ALA 14 HN ALA 14 1.298 1.169 -11.694 124 HA ALA 14 HA ALA 14 3.322 0.686 -13.598 125 HB1 ALA 14 1HB ALA 14 2.487 3.302 -12.340 126 HB2 ALA 14 2HB ALA 14 1.780 2.570 -13.781 127 HB3 ALA 14 3HB ALA 14 3.453 3.127 -13.804 128 H HIS 15 HN HIS 15 3.427 1.889 -10.281 129 HA HIS 15 HA HIS 15 6.219 2.424 -10.285 130 HB2 HIS 15 2HB HIS 15 4.484 3.302 -8.630 131 HB3 HIS 15 1HB HIS 15 4.583 1.728 -7.848 132 HD1 HIS 15 1HD HIS 15 6.575 4.840 -8.486 133 HD2 HIS 15 2HD HIS 15 6.853 1.313 -6.299 134 HE1 HIS 15 1HE HIS 15 8.555 5.140 -6.963 135 HE2 HIS 15 2HE HIS 15 8.566 3.083 -5.503 136 H ALA 16 HN ALA 16 4.260 -0.391 -9.611 137 HA ALA 16 HA ALA 16 6.289 -2.029 -8.522 138 HB1 ALA 16 1HB ALA 16 3.805 -2.849 -10.024 139 HB2 ALA 16 2HB ALA 16 3.912 -2.556 -8.288 140 HB3 ALA 16 3HB ALA 16 4.797 -3.899 -9.014 141 H ARG 17 HN ARG 17 5.016 -1.751 -11.837 142 HA ARG 17 HA ARG 17 6.726 -3.636 -13.014 143 HB2 ARG 17 2HB ARG 17 5.869 -2.955 -15.046 144 HB3 ARG 17 1HB ARG 17 4.619 -2.380 -13.952 145 HG2 ARG 17 2HG ARG 17 5.801 -0.161 -13.965 146 HG3 ARG 17 1HG ARG 17 6.783 -0.785 -15.287 147 HD2 ARG 17 2HD ARG 17 3.814 -0.304 -15.235 148 HD3 ARG 17 1HD ARG 17 5.019 0.445 -16.280 149 HE ARG 17 HE ARG 17 3.668 -2.029 -16.702 150 HH11 ARG 17 1HH1 ARG 17 6.662 -0.327 -17.347 151 HH12 ARG 17 2HH1 ARG 17 7.052 -1.279 -18.743 152 HH21 ARG 17 1HH2 ARG 17 4.136 -3.235 -18.571 153 HH22 ARG 17 2HH2 ARG 17 5.622 -2.946 -19.435 154 H GLN 18 HN GLN 18 7.128 -0.264 -12.258 155 HA GLN 18 HA GLN 18 9.519 0.262 -13.628 156 HB2 GLN 18 2HB GLN 18 8.083 2.002 -12.693 157 HB3 GLN 18 1HB GLN 18 8.419 1.429 -11.069 158 HG2 GLN 18 2HG GLN 18 10.808 2.010 -11.422 159 HG3 GLN 18 1HG GLN 18 10.353 2.723 -12.971 160 HE21 GLN 18 1HE2 GLN 18 9.150 4.637 -12.994 161 HE22 GLN 18 2HE2 GLN 18 8.962 5.626 -11.583 162 H ALA 19 HN ALA 19 8.905 -0.965 -10.370 163 HA ALA 19 HA ALA 19 11.712 -0.871 -9.684 164 HB1 ALA 19 1HB ALA 19 11.031 -1.545 -7.478 165 HB2 ALA 19 2HB ALA 19 9.411 -1.931 -8.058 166 HB3 ALA 19 3HB ALA 19 9.971 -0.258 -8.054 167 H LEU 20 HN LEU 20 9.786 -3.128 -11.259 168 HA LEU 20 HA LEU 20 10.596 -5.579 -10.240 169 HB2 LEU 20 2HB LEU 20 10.031 -4.758 -13.088 170 HB3 LEU 20 1HB LEU 20 10.278 -6.417 -12.591 171 HG LEU 20 HG LEU 20 8.042 -4.610 -11.672 172 HD11 LEU 20 1HD1 LEU 20 7.808 -5.369 -13.983 173 HD12 LEU 20 2HD1 LEU 20 6.608 -6.122 -12.934 174 HD13 LEU 20 3HD1 LEU 20 8.021 -7.038 -13.459 175 HD21 LEU 20 3HD2 LEU 20 7.157 -6.607 -10.566 176 HD22 LEU 20 1HD2 LEU 20 8.727 -6.143 -9.905 177 HD23 LEU 20 2HD2 LEU 20 8.606 -7.501 -11.023 178 HA PRO 21 HA PRO 21 11.193 -7.412 -10.631 179 HB2 PRO 21 2HB PRO 21 13.051 -9.337 -10.198 180 HB3 PRO 21 1HB PRO 21 12.391 -8.980 -11.794 181 HG2 PRO 21 2HG PRO 21 15.074 -8.496 -10.764 182 HG3 PRO 21 1HG PRO 21 14.491 -8.421 -12.433 183 HD2 PRO 21 2HD PRO 21 14.924 -6.252 -10.523 184 HD3 PRO 21 1HD PRO 21 14.646 -6.165 -12.274 185 H ASN 22 HN ASN 22 12.554 -5.298 -8.933 186 HA ASN 22 HA ASN 22 13.094 -6.740 -6.465 187 HB2 ASN 22 2HB ASN 22 12.950 -3.783 -7.105 188 HB3 ASN 22 1HB ASN 22 13.299 -4.420 -5.501 189 HD21 ASN 22 1HD2 ASN 22 14.901 -6.617 -6.348 190 HD22 ASN 22 2HD2 ASN 22 16.384 -5.971 -6.962 191 H GLU 23 HN GLU 23 11.851 -5.920 -4.454 192 HA GLU 23 HA GLU 23 9.055 -6.325 -5.110 193 HB2 GLU 23 2HB GLU 23 8.695 -6.629 -2.709 194 HB3 GLU 23 1HB GLU 23 9.981 -7.662 -3.301 195 HG2 GLU 23 2HG GLU 23 10.429 -5.068 -1.850 196 HG3 GLU 23 1HG GLU 23 10.405 -6.648 -1.076 197 H ALA 24 HN ALA 24 8.371 -4.468 -6.010 198 HA ALA 24 HA ALA 24 8.841 -1.868 -5.137 199 HB1 ALA 24 1HB ALA 24 7.875 -2.405 -7.315 200 HB2 ALA 24 2HB ALA 24 6.885 -1.235 -6.442 201 HB3 ALA 24 3HB ALA 24 6.385 -2.924 -6.528 202 H CYS 25 HN CYS 25 8.262 -0.813 -3.378 203 HA CYS 25 HA CYS 25 5.780 -1.539 -2.008 204 HB2 CYS 25 2HB CYS 25 8.450 -1.171 -0.626 205 HB3 CYS 25 1HB CYS 25 6.909 -1.471 0.170 206 HG CYS 25 HG CYS 25 8.711 -3.637 -1.764 207 H GLY 26 HN GLY 26 5.224 0.123 -0.310 208 HA2 GLY 26 2HA GLY 26 6.363 2.713 -0.365 209 HA3 GLY 26 1HA GLY 26 4.969 2.652 -1.438 210 H LEU 27 HN LEU 27 4.120 4.272 0.127 211 HA LEU 27 HA LEU 27 2.899 2.898 2.436 212 HB2 LEU 27 2HB LEU 27 3.829 5.767 2.254 213 HB3 LEU 27 1HB LEU 27 2.899 5.111 3.585 214 HG LEU 27 HG LEU 27 5.669 4.203 2.798 215 HD11 LEU 27 1HD1 LEU 27 5.679 6.473 3.681 216 HD12 LEU 27 2HD1 LEU 27 6.403 5.344 4.825 217 HD13 LEU 27 3HD1 LEU 27 4.764 5.940 5.092 218 HD21 LEU 27 3HD2 LEU 27 3.947 3.510 5.175 219 HD22 LEU 27 1HD2 LEU 27 5.623 3.012 4.938 220 HD23 LEU 27 2HD2 LEU 27 4.369 2.435 3.841 221 H LEU 28 HN LEU 28 0.782 3.627 3.024 222 HA LEU 28 HA LEU 28 -0.623 5.071 0.872 223 HB2 LEU 28 2HB LEU 28 -1.637 2.719 2.473 224 HB3 LEU 28 1HB LEU 28 -2.577 3.629 1.306 225 HG LEU 28 HG LEU 28 -0.106 2.025 0.640 226 HD11 LEU 28 1HD1 LEU 28 -1.941 0.588 1.338 227 HD12 LEU 28 2HD1 LEU 28 -1.656 0.450 -0.397 228 HD13 LEU 28 3HD1 LEU 28 -3.020 1.395 0.201 229 HD21 LEU 28 3HD2 LEU 28 -2.129 3.423 -1.110 230 HD22 LEU 28 1HD2 LEU 28 -0.835 2.372 -1.684 231 HD23 LEU 28 2HD2 LEU 28 -0.445 3.890 -0.876 232 H GLY 29 HN GLY 29 -1.692 6.817 1.529 233 HA2 GLY 29 2HA GLY 29 -2.466 6.979 4.372 234 HA3 GLY 29 1HA GLY 29 -1.744 8.338 3.523 235 H GLY 30 HN GLY 30 -4.301 8.215 4.863 236 HA2 GLY 30 2HA GLY 30 -5.847 9.692 3.108 237 HA3 GLY 30 1HA GLY 30 -6.384 8.028 2.934 238 H ARG 31 HN ARG 31 -8.257 7.872 3.949 239 HA ARG 31 HA ARG 31 -8.551 9.163 6.588 240 HB2 ARG 31 2HB ARG 31 -10.783 8.236 4.772 241 HB3 ARG 31 1HB ARG 31 -10.912 9.275 6.184 242 HG2 ARG 31 2HG ARG 31 -9.768 11.053 5.029 243 HG3 ARG 31 1HG ARG 31 -9.496 10.008 3.633 244 HD2 ARG 31 2HD ARG 31 -12.024 9.773 3.504 245 HD3 ARG 31 1HD ARG 31 -12.105 11.105 4.660 246 HE ARG 31 HE ARG 31 -10.437 11.919 2.585 247 HH11 ARG 31 1HH1 ARG 31 -13.829 11.070 3.012 248 HH12 ARG 31 2HH1 ARG 31 -14.352 12.012 1.647 249 HH21 ARG 31 1HH2 ARG 31 -11.139 13.154 0.827 250 HH22 ARG 31 2HH2 ARG 31 -12.841 13.237 0.442 251 H ARG 32 HN ARG 32 -9.054 7.908 8.324 252 HA ARG 32 HA ARG 32 -9.650 5.073 7.780 253 HB2 ARG 32 2HB ARG 32 -7.339 5.410 8.674 254 HB3 ARG 32 1HB ARG 32 -8.046 6.108 10.126 255 HG2 ARG 32 2HG ARG 32 -9.291 3.953 10.434 256 HG3 ARG 32 1HG ARG 32 -8.318 3.286 9.123 257 HD2 ARG 32 2HD ARG 32 -7.344 2.679 11.243 258 HD3 ARG 32 1HD ARG 32 -6.281 3.814 10.414 259 HE ARG 32 HE ARG 32 -6.844 5.471 11.985 260 HH11 ARG 32 1HH1 ARG 32 -8.451 2.430 12.647 261 HH12 ARG 32 2HH1 ARG 32 -8.825 2.837 14.293 262 HH21 ARG 32 1HH2 ARG 32 -7.336 6.019 14.120 263 HH22 ARG 32 2HH2 ARG 32 -8.205 4.903 15.132 264 H ASP 33 HN ASP 33 -11.409 4.313 8.691 265 HA ASP 33 HA ASP 33 -12.790 5.924 10.717 266 HB2 ASP 33 2HB ASP 33 -13.879 4.893 8.539 267 HB3 ASP 33 1HB ASP 33 -13.947 3.430 9.519 268 H GLY 34 HN GLY 34 -14.219 3.542 11.756 269 HA2 GLY 34 2HA GLY 34 -12.723 2.758 13.909 270 HA3 GLY 34 1HA GLY 34 -13.930 1.726 13.165 271 H ASP 35 HN ASP 35 -13.006 0.836 10.959 272 HA ASP 35 HA ASP 35 -10.137 0.305 11.106 273 HB2 ASP 35 2HB ASP 35 -11.236 -1.646 12.156 274 HB3 ASP 35 1HB ASP 35 -12.184 -1.890 10.692 275 H ASP 36 HN ASP 36 -12.652 1.447 9.359 276 HA ASP 36 HA ASP 36 -12.174 0.261 6.807 277 HB2 ASP 36 2HB ASP 36 -13.428 2.955 7.291 278 HB3 ASP 36 1HB ASP 36 -13.659 1.899 5.911 279 H ARG 37 HN ARG 37 -11.200 1.242 5.005 280 HA ARG 37 HA ARG 37 -9.143 3.251 5.657 281 HB2 ARG 37 2HB ARG 37 -8.587 0.913 3.836 282 HB3 ARG 37 1HB ARG 37 -7.435 1.996 4.600 283 HG2 ARG 37 2HG ARG 37 -9.138 0.050 6.140 284 HG3 ARG 37 1HG ARG 37 -7.538 -0.342 5.520 285 HD2 ARG 37 2HD ARG 37 -6.518 1.329 6.900 286 HD3 ARG 37 1HD ARG 37 -8.092 1.972 7.372 287 HE ARG 37 HE ARG 37 -8.442 -0.310 8.425 288 HH11 ARG 37 1HH1 ARG 37 -5.244 1.093 8.091 289 HH12 ARG 37 2HH1 ARG 37 -4.601 0.281 9.480 290 HH21 ARG 37 1HH2 ARG 37 -7.601 -1.379 10.270 291 HH22 ARG 37 2HH2 ARG 37 -5.939 -1.115 10.721 292 H TRP 38 HN TRP 38 -9.464 4.974 4.356 293 HA TRP 38 HA TRP 38 -10.281 4.458 1.564 294 HB2 TRP 38 2HB TRP 38 -10.785 6.900 3.274 295 HB3 TRP 38 1HB TRP 38 -11.162 6.788 1.557 296 HD1 TRP 38 1HD TRP 38 -13.095 4.921 0.891 297 HE1 TRP 38 1HE TRP 38 -15.182 4.198 2.214 298 HE3 TRP 38 3HE TRP 38 -11.700 6.535 5.535 299 HZ2 TRP 38 2HZ TRP 38 -16.112 4.312 4.877 300 HZ3 TRP 38 3HZ TRP 38 -13.247 6.194 7.413 301 HH2 TRP 38 2HH TRP 38 -15.405 5.105 7.091 302 H VAL 39 HN VAL 39 -8.694 4.743 0.154 303 HA VAL 39 HA VAL 39 -6.297 6.170 0.989 304 HB VAL 39 HB VAL 39 -6.769 4.619 -1.561 305 HG11 VAL 39 1HG1 VAL 39 -4.909 6.153 -1.743 306 HG12 VAL 39 2HG1 VAL 39 -4.300 4.502 -1.613 307 HG13 VAL 39 3HG1 VAL 39 -4.244 5.575 -0.216 308 HG21 VAL 39 3HG2 VAL 39 -5.520 3.709 1.032 309 HG22 VAL 39 1HG2 VAL 39 -5.578 2.780 -0.465 310 HG23 VAL 39 2HG2 VAL 39 -7.072 3.177 0.385 311 H GLU 40 HN GLU 40 -6.297 8.311 0.662 312 HA GLU 40 HA GLU 40 -7.286 9.344 -1.907 313 HB2 GLU 40 2HB GLU 40 -6.615 10.730 0.689 314 HB3 GLU 40 1HB GLU 40 -6.887 11.607 -0.807 315 HG2 GLU 40 2HG GLU 40 -9.148 10.526 -0.913 316 HG3 GLU 40 1HG GLU 40 -8.853 9.926 0.720 317 H ARG 41 HN ARG 41 -4.407 8.790 -0.053 318 HA ARG 41 HA ARG 41 -2.845 10.052 -2.194 319 HB2 ARG 41 2HB ARG 41 -2.978 11.565 -0.220 320 HB3 ARG 41 1HB ARG 41 -2.219 10.312 0.751 321 HG2 ARG 41 2HG ARG 41 -0.590 11.966 0.080 322 HG3 ARG 41 1HG ARG 41 -0.235 10.412 -0.678 323 HD2 ARG 41 2HD ARG 41 -1.442 11.224 -2.714 324 HD3 ARG 41 1HD ARG 41 -1.546 12.808 -1.949 325 HE ARG 41 HE ARG 41 1.133 11.951 -1.961 326 HH11 ARG 41 1HH1 ARG 41 -1.368 13.051 -4.149 327 HH12 ARG 41 2HH1 ARG 41 -0.244 13.741 -5.290 328 HH21 ARG 41 1HH2 ARG 41 2.614 12.803 -3.449 329 HH22 ARG 41 2HH2 ARG 41 2.040 13.590 -4.896 330 H VAL 42 HN VAL 42 -1.295 8.809 -2.980 331 HA VAL 42 HA VAL 42 -0.439 6.460 -1.430 332 HB VAL 42 HB VAL 42 -0.160 6.976 -4.403 333 HG11 VAL 42 1HG1 VAL 42 0.417 4.496 -2.783 334 HG12 VAL 42 2HG1 VAL 42 1.615 5.549 -3.537 335 HG13 VAL 42 3HG1 VAL 42 0.502 4.620 -4.542 336 HG21 VAL 42 3HG2 VAL 42 -1.876 5.232 -4.671 337 HG22 VAL 42 1HG2 VAL 42 -2.490 6.633 -3.792 338 HG23 VAL 42 2HG2 VAL 42 -2.062 5.161 -2.919 339 H TYR 43 HN TYR 43 1.648 6.289 -0.804 340 HA TYR 43 HA TYR 43 3.504 8.400 -1.687 341 HB2 TYR 43 2HB TYR 43 3.390 6.854 0.909 342 HB3 TYR 43 1HB TYR 43 4.748 7.873 0.449 343 HD1 TYR 43 1HD TYR 43 1.197 7.863 1.434 344 HD2 TYR 43 2HD TYR 43 4.605 10.261 0.579 345 HE1 TYR 43 1HE TYR 43 0.064 9.814 2.417 346 HE2 TYR 43 2HE TYR 43 3.486 12.216 1.564 347 HH TYR 43 HH TYR 43 1.387 13.036 2.174 348 HA PRO 44 HA PRO 44 5.124 4.520 -3.529 349 HB2 PRO 44 2HB PRO 44 6.280 6.330 -5.516 350 HB3 PRO 44 1HB PRO 44 5.146 4.998 -5.746 351 HG2 PRO 44 2HG PRO 44 4.420 7.582 -6.052 352 HG3 PRO 44 1HG PRO 44 3.299 6.341 -5.457 353 HD2 PRO 44 2HD PRO 44 4.840 8.400 -3.919 354 HD3 PRO 44 1HD PRO 44 3.158 7.864 -3.712 355 H LEU 45 HN LEU 45 6.803 3.863 -2.319 356 HA LEU 45 HA LEU 45 9.059 5.653 -1.868 357 HB2 LEU 45 2HB LEU 45 8.434 2.933 -0.714 358 HB3 LEU 45 1HB LEU 45 9.820 3.912 -0.277 359 HG LEU 45 HG LEU 45 6.927 4.645 0.196 360 HD11 LEU 45 1HD1 LEU 45 9.107 3.798 2.097 361 HD12 LEU 45 2HD1 LEU 45 7.677 2.862 1.657 362 HD13 LEU 45 3HD1 LEU 45 7.504 4.367 2.563 363 HD21 LEU 45 3HD2 LEU 45 9.465 6.082 0.973 364 HD22 LEU 45 1HD2 LEU 45 7.832 6.534 1.461 365 HD23 LEU 45 2HD2 LEU 45 8.298 6.615 -0.238 366 H ASN 46 HN ASN 46 11.252 4.400 -1.789 367 HA ASN 46 HA ASN 46 11.520 3.042 -4.388 368 HB2 ASN 46 2HB ASN 46 12.560 5.359 -4.104 369 HB3 ASN 46 1HB ASN 46 13.684 4.613 -2.976 370 HD21 ASN 46 1HD2 ASN 46 15.308 3.276 -3.759 371 HD22 ASN 46 2HD2 ASN 46 15.685 3.159 -5.445 372 H ASN 47 HN ASN 47 13.314 1.503 -4.528 373 HA ASN 47 HA ASN 47 13.355 -0.216 -2.206 374 HB2 ASN 47 2HB ASN 47 13.027 -1.309 -4.310 375 HB3 ASN 47 1HB ASN 47 14.429 -0.512 -5.017 376 HD21 ASN 47 1HD2 ASN 47 13.314 -3.081 -2.973 377 HD22 ASN 47 2HD2 ASN 47 14.831 -3.891 -2.830 378 H LEU 48 HN LEU 48 14.763 0.244 -0.626 379 HA LEU 48 HA LEU 48 17.302 1.462 -1.093 380 HB2 LEU 48 2HB LEU 48 15.958 0.236 1.292 381 HB3 LEU 48 1HB LEU 48 17.641 0.712 1.362 382 HG LEU 48 HG LEU 48 16.149 2.406 2.312 383 HD11 LEU 48 1HD1 LEU 48 18.278 3.087 1.347 384 HD12 LEU 48 2HD1 LEU 48 17.051 4.336 1.130 385 HD13 LEU 48 3HD1 LEU 48 17.503 3.300 -0.223 386 HD21 LEU 48 3HD2 LEU 48 15.039 2.681 -0.472 387 HD22 LEU 48 1HD2 LEU 48 14.675 3.728 0.900 388 HD23 LEU 48 2HD2 LEU 48 14.180 2.036 0.926 389 H ASP 49 HN ASP 49 16.388 -1.774 0.097 390 HA ASP 49 HA ASP 49 19.036 -2.779 -0.687 391 HB2 ASP 49 2HB ASP 49 16.892 -3.992 1.079 392 HB3 ASP 49 1HB ASP 49 18.388 -4.807 0.638 393 H GLN 50 HN GLN 50 19.185 -3.814 -2.574 394 HA GLN 50 HA GLN 50 16.783 -4.291 -4.062 395 HB2 GLN 50 2HB GLN 50 19.661 -4.841 -4.779 396 HB3 GLN 50 1HB GLN 50 18.301 -5.021 -5.881 397 HG2 GLN 50 2HG GLN 50 17.794 -2.571 -5.352 398 HG3 GLN 50 1HG GLN 50 19.423 -2.517 -4.683 399 HE21 GLN 50 1HE2 GLN 50 17.509 -2.835 -7.551 400 HE22 GLN 50 2HE2 GLN 50 18.797 -2.607 -8.691 401 H SER 51 HN SER 51 15.664 -5.852 -3.078 402 HA SER 51 HA SER 51 16.745 -8.577 -3.318 403 HB2 SER 51 2HB SER 51 14.678 -7.653 -1.308 404 HB3 SER 51 1HB SER 51 15.510 -9.208 -1.353 405 HG SER 51 HG SER 51 16.446 -6.691 -0.548 406 HA PRO 52 HA PRO 52 12.697 -9.174 -5.303 407 HB2 PRO 52 2HB PRO 52 12.616 -11.837 -5.469 408 HB3 PRO 52 1HB PRO 52 13.800 -10.900 -6.384 409 HG2 PRO 52 2HG PRO 52 14.184 -12.598 -3.993 410 HG3 PRO 52 1HG PRO 52 15.340 -12.169 -5.264 411 HD2 PRO 52 2HD PRO 52 15.036 -10.984 -2.664 412 HD3 PRO 52 1HD PRO 52 16.193 -10.544 -3.936 413 H GLU 53 HN GLU 53 13.131 -9.515 -2.101 414 HA GLU 53 HA GLU 53 10.493 -10.654 -1.581 415 HB2 GLU 53 2HB GLU 53 13.024 -11.703 -0.307 416 HB3 GLU 53 1HB GLU 53 11.397 -12.132 0.192 417 HG2 GLU 53 2HG GLU 53 12.640 -12.718 -2.486 418 HG3 GLU 53 1HG GLU 53 12.382 -13.872 -1.176 419 H HIS 54 HN HIS 54 13.431 -9.459 0.084 420 HA HIS 54 HA HIS 54 11.761 -8.403 2.234 421 HB2 HIS 54 2HB HIS 54 14.743 -8.660 1.950 422 HB3 HIS 54 1HB HIS 54 13.978 -7.847 3.296 423 HD1 HIS 54 1HD HIS 54 14.867 -9.501 5.019 424 HD2 HIS 54 2HD HIS 54 12.546 -11.253 2.050 425 HE1 HIS 54 1HE HIS 54 14.399 -11.843 5.815 426 HE2 HIS 54 2HE HIS 54 13.217 -12.957 3.882 427 H PHE 55 HN PHE 55 11.502 -6.301 2.677 428 HA PHE 55 HA PHE 55 12.568 -4.424 0.682 429 HB2 PHE 55 2HB PHE 55 10.476 -3.173 0.814 430 HB3 PHE 55 1HB PHE 55 10.159 -4.841 0.357 431 HD1 PHE 55 2HD PHE 55 9.137 -6.396 1.987 432 HD2 PHE 55 1HD PHE 55 9.629 -2.251 2.840 433 HE1 PHE 55 2HE PHE 55 7.508 -6.580 3.822 434 HE2 PHE 55 1HE PHE 55 8.000 -2.432 4.674 435 HZ PHE 55 HZ PHE 55 6.937 -4.596 5.168 436 H SER 56 HN SER 56 13.143 -2.384 1.347 437 HA SER 56 HA SER 56 13.011 -1.795 4.220 438 HB2 SER 56 2HB SER 56 15.403 -1.147 2.487 439 HB3 SER 56 1HB SER 56 15.268 -0.983 4.236 440 HG SER 56 HG SER 56 16.382 -2.929 3.195 441 H MET 57 HN MET 57 12.328 0.232 4.663 442 HA MET 57 HA MET 57 11.939 2.028 2.369 443 HB2 MET 57 2HB MET 57 10.316 3.235 3.801 444 HB3 MET 57 1HB MET 57 9.870 1.562 3.514 445 HG2 MET 57 2HG MET 57 11.423 2.026 5.960 446 HG3 MET 57 1HG MET 57 9.832 2.785 5.924 447 HE1 MET 57 3HE MET 57 8.135 0.735 4.131 448 HE2 MET 57 1HE MET 57 7.558 1.465 5.632 449 HE3 MET 57 2HE MET 57 7.453 -0.280 5.403 450 H ASP 58 HN ASP 58 12.497 4.240 2.525 451 HA ASP 58 HA ASP 58 14.915 4.689 4.025 452 HB2 ASP 58 2HB ASP 58 14.715 5.538 1.740 453 HB3 ASP 58 1HB ASP 58 13.313 6.493 2.190 454 HA PRO 59 HA PRO 59 12.877 6.569 7.469 455 HB2 PRO 59 2HB PRO 59 15.002 7.683 8.701 456 HB3 PRO 59 1HB PRO 59 14.743 5.936 8.654 457 HG2 PRO 59 2HG PRO 59 16.580 7.626 7.011 458 HG3 PRO 59 1HG PRO 59 16.857 6.020 7.708 459 HD2 PRO 59 2HD PRO 59 16.191 6.475 5.082 460 HD3 PRO 59 1HD PRO 59 15.871 4.961 5.946 461 H ARG 60 HN ARG 60 14.877 8.527 5.345 462 HA ARG 60 HA ARG 60 14.178 11.028 6.589 463 HB2 ARG 60 2HB ARG 60 15.368 10.583 3.846 464 HB3 ARG 60 1HB ARG 60 15.445 12.049 4.812 465 HG2 ARG 60 2HG ARG 60 16.858 10.930 6.440 466 HG3 ARG 60 1HG ARG 60 16.744 9.426 5.523 467 HD2 ARG 60 2HD ARG 60 17.796 10.544 3.604 468 HD3 ARG 60 1HD ARG 60 17.948 12.016 4.561 469 HE ARG 60 HE ARG 60 19.432 9.508 4.980 470 HH11 ARG 60 1HH1 ARG 60 18.893 12.886 5.756 471 HH12 ARG 60 2HH1 ARG 60 20.452 13.095 6.502 472 HH21 ARG 60 1HH2 ARG 60 21.488 9.784 5.963 473 HH22 ARG 60 2HH2 ARG 60 21.923 11.336 6.625 474 H GLU 61 HN GLU 61 13.336 9.325 3.595 475 HA GLU 61 HA GLU 61 11.436 11.239 2.708 476 HB2 GLU 61 2HB GLU 61 11.757 8.303 2.069 477 HB3 GLU 61 1HB GLU 61 10.610 9.359 1.257 478 HG2 GLU 61 2HG GLU 61 13.602 9.688 1.276 479 HG3 GLU 61 1HG GLU 61 12.634 9.054 -0.055 480 H GLN 62 HN GLN 62 11.245 8.416 4.778 481 HA GLN 62 HA GLN 62 8.442 8.225 4.918 482 HB2 GLN 62 2HB GLN 62 9.947 6.406 5.581 483 HB3 GLN 62 1HB GLN 62 10.548 7.380 6.915 484 HG2 GLN 62 2HG GLN 62 8.336 7.377 7.920 485 HG3 GLN 62 1HG GLN 62 7.729 6.411 6.578 486 HE21 GLN 62 1HE2 GLN 62 9.710 6.436 9.427 487 HE22 GLN 62 2HE2 GLN 62 9.860 4.723 9.589 488 H LEU 63 HN LEU 63 10.832 9.927 6.909 489 HA LEU 63 HA LEU 63 9.111 10.820 8.924 490 HB2 LEU 63 2HB LEU 63 11.562 10.957 9.047 491 HB3 LEU 63 1HB LEU 63 11.561 12.167 7.780 492 HG LEU 63 HG LEU 63 10.283 13.683 9.287 493 HD11 LEU 63 1HD1 LEU 63 10.818 11.528 11.327 494 HD12 LEU 63 2HD1 LEU 63 9.241 12.020 10.710 495 HD13 LEU 63 3HD1 LEU 63 10.197 13.140 11.679 496 HD21 LEU 63 3HD2 LEU 63 12.921 12.673 10.355 497 HD22 LEU 63 1HD2 LEU 63 12.182 14.230 10.736 498 HD23 LEU 63 2HD2 LEU 63 12.702 13.880 9.088 499 H THR 64 HN THR 64 10.076 12.372 5.887 500 HA THR 64 HA THR 64 8.479 14.675 6.197 501 HB THR 64 HB THR 64 9.363 13.423 3.592 502 HG1 THR 64 1HG THR 64 11.219 14.824 3.905 503 HG21 THR 64 3HG2 THR 64 8.757 16.285 4.355 504 HG22 THR 64 1HG2 THR 64 7.754 15.251 3.338 505 HG23 THR 64 2HG2 THR 64 9.355 15.745 2.787 506 H ALA 65 HN ALA 65 7.881 11.527 4.689 507 HA ALA 65 HA ALA 65 5.408 12.117 3.506 508 HB1 ALA 65 1HB ALA 65 5.055 9.719 3.421 509 HB2 ALA 65 2HB ALA 65 6.329 9.465 4.613 510 HB3 ALA 65 3HB ALA 65 6.728 10.096 3.014 511 H VAL 66 HN VAL 66 6.193 10.858 6.733 512 HA VAL 66 HA VAL 66 3.536 10.550 7.634 513 HB VAL 66 HB VAL 66 6.067 11.067 9.215 514 HG11 VAL 66 1HG1 VAL 66 3.351 10.161 10.171 515 HG12 VAL 66 2HG1 VAL 66 4.128 11.700 10.542 516 HG13 VAL 66 3HG1 VAL 66 4.815 10.193 11.151 517 HG21 VAL 66 3HG2 VAL 66 5.964 8.650 9.654 518 HG22 VAL 66 1HG2 VAL 66 6.125 9.005 7.934 519 HG23 VAL 66 2HG2 VAL 66 4.560 8.529 8.592 520 H LYS 67 HN LYS 67 5.816 13.242 7.867 521 HA LYS 67 HA LYS 67 4.159 14.956 9.383 522 HB2 LYS 67 2HB LYS 67 6.629 15.215 9.073 523 HB3 LYS 67 1HB LYS 67 6.326 15.746 7.426 524 HG2 LYS 67 2HG LYS 67 5.160 17.688 8.201 525 HG3 LYS 67 1HG LYS 67 5.243 17.122 9.872 526 HD2 LYS 67 2HD LYS 67 7.683 17.283 9.807 527 HD3 LYS 67 1HD LYS 67 7.604 17.838 8.133 528 HE2 LYS 67 2HE LYS 67 6.414 19.822 8.802 529 HE3 LYS 67 1HE LYS 67 6.324 19.250 10.466 530 HZ1 LYS 67 3HZ LYS 67 8.072 20.901 10.156 531 HZ2 LYS 67 1HZ LYS 67 8.834 19.903 9.013 532 HZ3 LYS 67 2HZ LYS 67 8.719 19.403 10.630 533 H ASP 68 HN ASP 68 4.620 14.493 5.931 534 HA ASP 68 HA ASP 68 3.063 16.663 5.013 535 HB2 ASP 68 2HB ASP 68 4.638 15.439 3.579 536 HB3 ASP 68 1HB ASP 68 3.651 13.992 3.708 537 H MET 69 HN MET 69 2.329 13.262 5.496 538 HA MET 69 HA MET 69 -0.350 13.251 4.730 539 HB2 MET 69 2HB MET 69 1.163 11.304 5.195 540 HB3 MET 69 1HB MET 69 0.936 11.601 6.902 541 HG2 MET 69 2HG MET 69 -1.197 10.814 6.908 542 HG3 MET 69 1HG MET 69 -1.470 11.217 5.212 543 HE1 MET 69 3HE MET 69 1.587 7.894 5.972 544 HE2 MET 69 1HE MET 69 1.132 8.987 7.283 545 HE3 MET 69 2HE MET 69 1.903 9.627 5.829 546 H ARG 70 HN ARG 70 1.077 13.624 7.950 547 HA ARG 70 HA ARG 70 -1.330 14.041 9.349 548 HB2 ARG 70 2HB ARG 70 0.671 13.538 10.588 549 HB3 ARG 70 1HB ARG 70 1.482 14.968 9.962 550 HG2 ARG 70 2HG ARG 70 -0.170 16.378 11.152 551 HG3 ARG 70 1HG ARG 70 -0.866 14.916 11.849 552 HD2 ARG 70 2HD ARG 70 1.129 14.442 13.047 553 HD3 ARG 70 1HD ARG 70 2.024 15.686 12.174 554 HE ARG 70 HE ARG 70 -0.177 16.843 13.527 555 HH11 ARG 70 1HH1 ARG 70 2.942 15.396 14.203 556 HH12 ARG 70 2HH1 ARG 70 3.230 16.367 15.612 557 HH21 ARG 70 1HH2 ARG 70 0.231 18.164 15.349 558 HH22 ARG 70 2HH2 ARG 70 1.725 17.982 16.224 559 H LYS 71 HN LYS 71 0.813 16.281 7.682 560 HA LYS 71 HA LYS 71 -0.202 18.694 8.653 561 HB2 LYS 71 2HB LYS 71 1.891 18.420 7.343 562 HB3 LYS 71 1HB LYS 71 0.924 18.151 5.904 563 HG2 LYS 71 2HG LYS 71 0.003 20.403 6.093 564 HG3 LYS 71 1HG LYS 71 0.979 20.679 7.539 565 HD2 LYS 71 2HD LYS 71 3.018 20.348 6.233 566 HD3 LYS 71 1HD LYS 71 2.051 20.041 4.789 567 HE2 LYS 71 2HE LYS 71 2.159 22.611 6.365 568 HE3 LYS 71 1HE LYS 71 2.899 22.318 4.791 569 HZ1 LYS 71 3HZ LYS 71 0.622 21.887 3.933 570 HZ2 LYS 71 1HZ LYS 71 0.870 23.482 4.458 571 HZ3 LYS 71 2HZ LYS 71 0.001 22.396 5.425 572 H ASN 72 HN ASN 72 -1.260 16.705 5.932 573 HA ASN 72 HA ASN 72 -3.264 18.638 5.136 574 HB2 ASN 72 2HB ASN 72 -2.044 17.095 3.537 575 HB3 ASN 72 1HB ASN 72 -3.018 15.782 4.186 576 HD21 ASN 72 1HD2 ASN 72 -5.223 15.698 3.704 577 HD22 ASN 72 2HD2 ASN 72 -5.921 16.649 2.441 578 H GLY 73 HN GLY 73 -3.056 16.001 7.306 579 HA2 GLY 73 2HA GLY 73 -4.748 15.750 8.992 580 HA3 GLY 73 1HA GLY 73 -5.948 16.239 7.804 581 H TRP 74 HN TRP 74 -3.565 14.029 6.718 582 HA TRP 74 HA TRP 74 -5.581 11.912 6.639 583 HB2 TRP 74 2HB TRP 74 -2.967 12.309 5.190 584 HB3 TRP 74 1HB TRP 74 -3.835 10.781 5.152 585 HD1 TRP 74 1HD TRP 74 -6.774 11.801 4.710 586 HE1 TRP 74 1HE TRP 74 -7.447 12.841 2.451 587 HE3 TRP 74 3HE TRP 74 -2.137 13.195 3.070 588 HZ2 TRP 74 2HZ TRP 74 -6.165 14.091 0.268 589 HZ3 TRP 74 3HZ TRP 74 -1.949 14.308 0.882 590 HH2 TRP 74 2HH TRP 74 -3.921 14.745 -0.488 591 H VAL 75 HN VAL 75 -4.764 9.666 6.955 592 HA VAL 75 HA VAL 75 -2.619 9.495 8.959 593 HB VAL 75 HB VAL 75 -3.879 7.671 10.097 594 HG11 VAL 75 1HG1 VAL 75 -3.867 9.903 11.046 595 HG12 VAL 75 2HG1 VAL 75 -5.431 9.134 11.312 596 HG13 VAL 75 3HG1 VAL 75 -5.252 10.353 10.050 597 HG21 VAL 75 3HG2 VAL 75 -6.289 7.466 9.723 598 HG22 VAL 75 1HG2 VAL 75 -5.372 7.053 8.275 599 HG23 VAL 75 2HG2 VAL 75 -6.179 8.617 8.392 600 H MET 76 HN MET 76 -1.600 7.370 9.054 601 HA MET 76 HA MET 76 -1.231 6.295 6.424 602 HB2 MET 76 2HB MET 76 0.656 6.508 7.987 603 HB3 MET 76 1HB MET 76 -0.112 5.360 9.073 604 HG2 MET 76 2HG MET 76 0.064 3.624 7.365 605 HG3 MET 76 1HG MET 76 0.838 4.774 6.275 606 HE1 MET 76 3HE MET 76 4.235 5.468 8.073 607 HE2 MET 76 1HE MET 76 2.748 6.405 8.221 608 HE3 MET 76 2HE MET 76 3.242 5.780 6.647 609 H LEU 77 HN LEU 77 -2.392 4.760 5.528 610 HA LEU 77 HA LEU 77 -4.240 3.215 7.153 611 HB2 LEU 77 2HB LEU 77 -3.811 3.220 4.164 612 HB3 LEU 77 1HB LEU 77 -5.143 2.458 5.013 613 HG LEU 77 HG LEU 77 -4.606 5.427 4.913 614 HD11 LEU 77 1HD1 LEU 77 -6.594 5.521 3.510 615 HD12 LEU 77 2HD1 LEU 77 -6.711 3.762 3.547 616 HD13 LEU 77 3HD1 LEU 77 -5.332 4.539 2.768 617 HD21 LEU 77 3HD2 LEU 77 -5.678 4.791 6.992 618 HD22 LEU 77 1HD2 LEU 77 -6.893 3.865 6.108 619 HD23 LEU 77 2HD2 LEU 77 -6.828 5.620 5.944 620 H GLY 78 HN GLY 78 -1.296 2.822 5.366 621 HA2 GLY 78 2HA GLY 78 -0.264 0.654 6.579 622 HA3 GLY 78 1HA GLY 78 -1.369 -0.063 5.413 623 H ASN 79 HN ASN 79 0.071 -0.957 4.023 624 HA ASN 79 HA ASN 79 1.539 0.869 2.328 625 HB2 ASN 79 2HB ASN 79 3.701 -0.146 2.560 626 HB3 ASN 79 1HB ASN 79 3.162 0.342 4.152 627 HD21 ASN 79 1HD2 ASN 79 1.405 -1.907 4.582 628 HD22 ASN 79 2HD2 ASN 79 2.413 -3.287 4.810 629 H PHE 80 HN PHE 80 2.741 -0.475 0.601 630 HA PHE 80 HA PHE 80 1.186 -2.881 -0.005 631 HB2 PHE 80 2HB PHE 80 0.988 -2.301 -2.341 632 HB3 PHE 80 1HB PHE 80 0.296 -1.018 -1.364 633 HD1 PHE 80 2HD PHE 80 1.384 1.170 -1.236 634 HD2 PHE 80 1HD PHE 80 2.924 -1.943 -3.697 635 HE1 PHE 80 2HE PHE 80 2.730 2.814 -2.470 636 HE2 PHE 80 1HE PHE 80 4.273 -0.301 -4.937 637 HZ PHE 80 HZ PHE 80 4.174 2.083 -4.324 638 H HIS 81 HN HIS 81 2.227 -4.498 -1.069 639 HA HIS 81 HA HIS 81 5.121 -4.232 -1.471 640 HB2 HIS 81 2HB HIS 81 4.852 -5.063 0.784 641 HB3 HIS 81 1HB HIS 81 3.698 -6.267 0.246 642 HD1 HIS 81 1HD HIS 81 7.389 -5.462 -0.244 643 HD2 HIS 81 2HD HIS 81 4.780 -8.693 -0.140 644 HE1 HIS 81 1HE HIS 81 8.842 -7.510 -0.345 645 HE2 HIS 81 2HE HIS 81 7.246 -9.424 0.059 646 H SER 82 HN SER 82 5.811 -5.306 -3.221 647 HA SER 82 HA SER 82 3.773 -6.834 -4.701 648 HB2 SER 82 2HB SER 82 6.050 -5.233 -5.883 649 HB3 SER 82 1HB SER 82 4.678 -5.936 -6.742 650 HG SER 82 HG SER 82 4.682 -3.778 -4.906 651 H HIS 83 HN HIS 83 4.480 -8.577 -6.028 652 HA HIS 83 HA HIS 83 7.224 -9.519 -5.508 653 HB2 HIS 83 2HB HIS 83 4.638 -10.944 -5.205 654 HB3 HIS 83 1HB HIS 83 5.943 -11.849 -5.961 655 HD1 HIS 83 1HD HIS 83 4.536 -11.935 -2.915 656 HD2 HIS 83 2HD HIS 83 8.418 -11.003 -4.055 657 HE1 HIS 83 1HE HIS 83 5.959 -12.396 -0.897 658 HE2 HIS 83 2HE HIS 83 8.327 -12.122 -1.726 659 HA PRO 84 HA PRO 84 7.595 -9.420 -9.874 660 HB2 PRO 84 2HB PRO 84 9.642 -11.190 -10.220 661 HB3 PRO 84 1HB PRO 84 9.858 -9.553 -9.596 662 HG2 PRO 84 2HG PRO 84 9.687 -12.141 -8.107 663 HG3 PRO 84 1HG PRO 84 10.774 -10.766 -7.841 664 HD2 PRO 84 2HD PRO 84 8.582 -11.193 -6.318 665 HD3 PRO 84 1HD PRO 84 9.176 -9.566 -6.693 666 H ALA 85 HN ALA 85 7.900 -12.812 -8.731 667 HA ALA 85 HA ALA 85 6.182 -13.593 -10.987 668 HB1 ALA 85 1HB ALA 85 7.646 -15.483 -11.475 669 HB2 ALA 85 2HB ALA 85 8.755 -14.961 -10.208 670 HB3 ALA 85 3HB ALA 85 8.511 -13.954 -11.636 671 H THR 86 HN THR 86 5.482 -13.285 -8.254 672 HA THR 86 HA THR 86 4.720 -16.044 -7.638 673 HB THR 86 HB THR 86 5.009 -15.248 -5.136 674 HG1 THR 86 1HG THR 86 7.323 -14.036 -5.681 675 HG21 THR 86 3HG2 THR 86 6.141 -17.179 -6.128 676 HG22 THR 86 1HG2 THR 86 7.247 -16.262 -5.107 677 HG23 THR 86 2HG2 THR 86 7.338 -16.111 -6.861 678 HA PRO 87 HA PRO 87 0.678 -14.474 -7.143 679 HB2 PRO 87 2HB PRO 87 0.255 -16.169 -4.777 680 HB3 PRO 87 1HB PRO 87 -0.515 -16.239 -6.363 681 HG2 PRO 87 2HG PRO 87 1.246 -18.100 -5.567 682 HG3 PRO 87 1HG PRO 87 1.139 -17.572 -7.256 683 HD2 PRO 87 2HD PRO 87 3.122 -16.797 -5.150 684 HD3 PRO 87 1HD PRO 87 3.390 -17.169 -6.866 685 H ALA 88 HN ALA 88 -0.876 -13.467 -5.668 686 HA ALA 88 HA ALA 88 0.460 -11.688 -3.838 687 HB1 ALA 88 1HB ALA 88 -1.242 -10.799 -5.347 688 HB2 ALA 88 2HB ALA 88 -1.709 -10.563 -3.663 689 HB3 ALA 88 3HB ALA 88 -2.452 -11.849 -4.612 690 H ARG 89 HN ARG 89 1.095 -13.405 -2.390 691 HA ARG 89 HA ARG 89 -0.836 -13.653 -0.233 692 HB2 ARG 89 2HB ARG 89 0.436 -15.977 -1.644 693 HB3 ARG 89 1HB ARG 89 0.063 -16.085 0.069 694 HG2 ARG 89 2HG ARG 89 -2.292 -15.605 -0.426 695 HG3 ARG 89 1HG ARG 89 -1.907 -15.547 -2.147 696 HD2 ARG 89 2HD ARG 89 -1.285 -17.850 -2.157 697 HD3 ARG 89 1HD ARG 89 -1.377 -17.943 -0.399 698 HE ARG 89 HE ARG 89 -3.887 -17.179 -1.234 699 HH11 ARG 89 1HH1 ARG 89 -1.765 -19.898 -1.861 700 HH12 ARG 89 2HH1 ARG 89 -3.073 -21.035 -2.010 701 HH21 ARG 89 1HH2 ARG 89 -5.586 -18.634 -1.492 702 HH22 ARG 89 2HH2 ARG 89 -5.254 -20.310 -1.846 703 HA PRO 90 HA PRO 90 2.846 -12.690 2.020 704 HB2 PRO 90 2HB PRO 90 1.627 -13.743 4.442 705 HB3 PRO 90 1HB PRO 90 1.948 -12.065 4.004 706 HG2 PRO 90 2HG PRO 90 -0.561 -13.106 4.177 707 HG3 PRO 90 1HG PRO 90 -0.135 -11.767 3.095 708 HD2 PRO 90 2HD PRO 90 -0.492 -14.675 2.470 709 HD3 PRO 90 1HD PRO 90 -0.995 -13.249 1.535 710 H SER 91 HN SER 91 4.509 -14.036 1.557 711 HA SER 91 HA SER 91 4.427 -16.837 2.248 712 HB2 SER 91 2HB SER 91 6.700 -16.906 1.329 713 HB3 SER 91 1HB SER 91 5.627 -16.042 0.230 714 HG SER 91 HG SER 91 6.450 -14.067 1.128 715 H ALA 92 HN ALA 92 6.534 -17.667 3.453 716 HA ALA 92 HA ALA 92 6.364 -16.863 6.121 717 HB1 ALA 92 1HB ALA 92 8.350 -18.203 6.507 718 HB2 ALA 92 2HB ALA 92 8.708 -18.211 4.779 719 HB3 ALA 92 3HB ALA 92 7.269 -19.031 5.387 720 H GLU 93 HN GLU 93 8.438 -15.721 3.544 721 HA GLU 93 HA GLU 93 10.208 -14.171 5.096 722 HB2 GLU 93 2HB GLU 93 9.290 -13.776 2.238 723 HB3 GLU 93 1HB GLU 93 10.670 -12.979 2.978 724 HG2 GLU 93 2HG GLU 93 10.380 -15.949 2.586 725 HG3 GLU 93 1HG GLU 93 11.321 -14.867 1.560 726 H ASP 94 HN ASP 94 7.176 -13.373 3.433 727 HA ASP 94 HA ASP 94 7.168 -10.627 4.193 728 HB2 ASP 94 2HB ASP 94 4.767 -12.303 3.427 729 HB3 ASP 94 1HB ASP 94 4.910 -10.553 3.338 730 H LYS 95 HN LYS 95 5.848 -13.565 5.556 731 HA LYS 95 HA LYS 95 4.151 -12.472 7.493 732 HB2 LYS 95 2HB LYS 95 5.721 -15.049 7.452 733 HB3 LYS 95 1HB LYS 95 4.547 -14.662 8.700 734 HG2 LYS 95 2HG LYS 95 3.881 -14.748 5.768 735 HG3 LYS 95 1HG LYS 95 3.716 -16.133 6.846 736 HD2 LYS 95 2HD LYS 95 2.383 -13.485 7.365 737 HD3 LYS 95 1HD LYS 95 1.620 -14.778 6.438 738 HE2 LYS 95 2HE LYS 95 2.633 -15.042 9.265 739 HE3 LYS 95 1HE LYS 95 0.949 -14.766 8.820 740 HZ1 LYS 95 3HZ LYS 95 2.535 -17.114 7.919 741 HZ2 LYS 95 1HZ LYS 95 0.866 -16.869 7.732 742 HZ3 LYS 95 2HZ LYS 95 1.520 -17.125 9.276 743 H ARG 96 HN ARG 96 7.620 -13.087 7.549 744 HA ARG 96 HA ARG 96 7.924 -12.405 10.317 745 HB2 ARG 96 2HB ARG 96 9.899 -12.772 8.070 746 HB3 ARG 96 1HB ARG 96 10.386 -12.329 9.701 747 HG2 ARG 96 2HG ARG 96 9.339 -14.389 10.546 748 HG3 ARG 96 1HG ARG 96 8.943 -14.841 8.886 749 HD2 ARG 96 2HD ARG 96 11.267 -14.937 8.301 750 HD3 ARG 96 1HD ARG 96 11.735 -14.306 9.879 751 HE ARG 96 HE ARG 96 10.275 -16.841 9.783 752 HH11 ARG 96 1HH1 ARG 96 13.255 -15.102 10.315 753 HH12 ARG 96 2HH1 ARG 96 14.057 -16.442 11.076 754 HH21 ARG 96 1HH2 ARG 96 11.311 -18.614 10.762 755 HH22 ARG 96 2HH2 ARG 96 12.964 -18.464 11.297 756 H LEU 97 HN LEU 97 7.624 -10.604 7.435 757 HA LEU 97 HA LEU 97 9.007 -8.278 8.486 758 HB2 LEU 97 2HB LEU 97 7.547 -8.740 5.885 759 HB3 LEU 97 1HB LEU 97 8.417 -7.278 6.299 760 HG LEU 97 HG LEU 97 9.651 -10.017 6.003 761 HD11 LEU 97 1HD1 LEU 97 8.907 -9.083 3.869 762 HD12 LEU 97 2HD1 LEU 97 10.667 -9.126 3.977 763 HD13 LEU 97 3HD1 LEU 97 9.809 -7.603 4.201 764 HD21 LEU 97 3HD2 LEU 97 10.823 -8.645 7.642 765 HD22 LEU 97 1HD2 LEU 97 10.929 -7.325 6.476 766 HD23 LEU 97 2HD2 LEU 97 11.786 -8.836 6.177 767 H ALA 98 HN ALA 98 6.089 -9.618 8.998 768 HA ALA 98 HA ALA 98 4.490 -7.209 8.960 769 HB1 ALA 98 1HB ALA 98 2.724 -8.616 9.899 770 HB2 ALA 98 2HB ALA 98 3.871 -9.947 10.068 771 HB3 ALA 98 3HB ALA 98 3.435 -9.354 8.464 772 H PHE 99 HN PHE 99 5.353 -5.777 10.373 773 HA PHE 99 HA PHE 99 5.997 -6.697 13.081 774 HB2 PHE 99 2HB PHE 99 6.730 -4.111 11.696 775 HB3 PHE 99 1HB PHE 99 7.244 -4.584 13.309 776 HD1 PHE 99 2HD PHE 99 8.388 -7.015 13.352 777 HD2 PHE 99 1HD PHE 99 8.227 -4.395 10.001 778 HE1 PHE 99 2HE PHE 99 10.358 -8.130 12.391 779 HE2 PHE 99 1HE PHE 99 10.199 -5.504 9.032 780 HZ PHE 99 HZ PHE 99 11.268 -7.372 10.230 781 H ASP 100 HN ASP 100 3.647 -4.824 11.389 782 HA ASP 100 HA ASP 100 2.619 -3.831 13.950 783 HB2 ASP 100 2HB ASP 100 3.940 -2.045 12.710 784 HB3 ASP 100 1HB ASP 100 2.661 -2.081 11.499 785 HA PRO 101 HA PRO 101 -0.679 -6.143 11.780 786 HB2 PRO 101 2HB PRO 101 -1.820 -6.017 14.509 787 HB3 PRO 101 1HB PRO 101 -1.574 -7.411 13.452 788 HG2 PRO 101 2HG PRO 101 -0.013 -7.017 15.574 789 HG3 PRO 101 1HG PRO 101 0.652 -7.638 14.052 790 HD2 PRO 101 2HD PRO 101 0.786 -4.872 15.191 791 HD3 PRO 101 1HD PRO 101 2.043 -5.810 14.357 792 H SER 102 HN SER 102 -0.669 -3.037 13.132 793 HA SER 102 HA SER 102 -3.527 -2.591 12.827 794 HB2 SER 102 2HB SER 102 -1.296 -0.636 13.444 795 HB3 SER 102 1HB SER 102 -3.022 -0.286 13.516 796 HG SER 102 HG SER 102 -2.075 -2.466 14.997 797 H LEU 103 HN LEU 103 -0.706 -2.489 10.952 798 HA LEU 103 HA LEU 103 -1.763 -0.590 9.017 799 HB2 LEU 103 2HB LEU 103 0.792 -2.187 9.124 800 HB3 LEU 103 1HB LEU 103 0.375 -1.109 7.806 801 HG LEU 103 HG LEU 103 0.790 -0.283 10.681 802 HD11 LEU 103 1HD1 LEU 103 2.810 0.802 9.837 803 HD12 LEU 103 2HD1 LEU 103 2.505 0.127 8.236 804 HD13 LEU 103 3HD1 LEU 103 2.866 -0.943 9.592 805 HD21 LEU 103 3HD2 LEU 103 0.287 1.372 8.208 806 HD22 LEU 103 1HD2 LEU 103 0.662 2.000 9.812 807 HD23 LEU 103 2HD2 LEU 103 -0.846 1.126 9.538 808 H SER 104 HN SER 104 -2.298 -1.119 6.895 809 HA SER 104 HA SER 104 -3.115 -3.875 6.481 810 HB2 SER 104 2HB SER 104 -4.131 -2.906 4.363 811 HB3 SER 104 1HB SER 104 -4.766 -2.253 5.872 812 HG SER 104 HG SER 104 -3.688 -0.385 5.540 813 H TYR 105 HN TYR 105 -2.187 -5.261 5.045 814 HA TYR 105 HA TYR 105 0.233 -4.291 3.678 815 HB2 TYR 105 2HB TYR 105 -0.475 -7.121 4.497 816 HB3 TYR 105 1HB TYR 105 1.020 -6.618 3.723 817 HD1 TYR 105 2HD TYR 105 -0.938 -6.481 6.843 818 HD2 TYR 105 1HD TYR 105 2.798 -5.649 4.989 819 HE1 TYR 105 2HE TYR 105 0.077 -6.142 9.055 820 HE2 TYR 105 1HE TYR 105 3.827 -5.316 7.197 821 HH TYR 105 HH TYR 105 2.168 -6.115 10.131 822 H LEU 106 HN LEU 106 -0.676 -3.627 1.733 823 HA LEU 106 HA LEU 106 -2.376 -5.438 0.242 824 HB2 LEU 106 2HB LEU 106 -1.172 -2.751 -0.402 825 HB3 LEU 106 1HB LEU 106 -2.042 -3.692 -1.597 826 HG LEU 106 HG LEU 106 -4.031 -3.644 -0.037 827 HD11 LEU 106 1HD1 LEU 106 -2.385 -1.534 1.349 828 HD12 LEU 106 2HD1 LEU 106 -2.867 -3.088 2.030 829 HD13 LEU 106 3HD1 LEU 106 -4.089 -1.873 1.649 830 HD21 LEU 106 3HD2 LEU 106 -4.682 -1.384 -0.689 831 HD22 LEU 106 1HD2 LEU 106 -3.874 -2.224 -2.014 832 HD23 LEU 106 2HD2 LEU 106 -3.002 -1.009 -1.078 833 H ILE 107 HN ILE 107 -1.756 -6.782 -1.373 834 HA ILE 107 HA ILE 107 1.134 -6.851 -1.953 835 HB ILE 107 HB ILE 107 -0.724 -9.223 -1.703 836 HG12 ILE 107 2HG1 ILE 107 1.575 -8.297 0.039 837 HG13 ILE 107 1HG1 ILE 107 -0.130 -8.232 0.466 838 HG21 ILE 107 1HG2 ILE 107 1.277 -10.587 -2.032 839 HG22 ILE 107 2HG2 ILE 107 2.239 -9.127 -2.270 840 HG23 ILE 107 3HG2 ILE 107 0.978 -9.553 -3.429 841 HD11 ILE 107 3HD1 ILE 107 -0.218 -10.689 0.366 842 HD12 ILE 107 1HD1 ILE 107 0.930 -10.091 1.565 843 HD13 ILE 107 2HD1 ILE 107 1.511 -10.711 0.020 844 H ILE 108 HN ILE 108 1.699 -6.741 -3.998 845 HA ILE 108 HA ILE 108 -0.386 -7.029 -6.052 846 HB ILE 108 HB ILE 108 2.232 -5.521 -6.195 847 HG12 ILE 108 2HG1 ILE 108 -0.614 -4.499 -6.038 848 HG13 ILE 108 1HG1 ILE 108 0.552 -4.468 -4.717 849 HG21 ILE 108 1HG2 ILE 108 1.580 -6.410 -8.364 850 HG22 ILE 108 2HG2 ILE 108 1.384 -4.657 -8.328 851 HG23 ILE 108 3HG2 ILE 108 -0.027 -5.706 -8.185 852 HD11 ILE 108 3HD1 ILE 108 0.817 -3.001 -7.338 853 HD12 ILE 108 1HD1 ILE 108 1.961 -2.950 -5.998 854 HD13 ILE 108 2HD1 ILE 108 0.339 -2.293 -5.795 855 H SER 109 HN SER 109 -0.238 -8.655 -7.456 856 HA SER 109 HA SER 109 2.288 -10.165 -7.575 857 HB2 SER 109 2HB SER 109 0.391 -11.450 -6.693 858 HB3 SER 109 1HB SER 109 -0.540 -11.090 -8.145 859 HG SER 109 HG SER 109 1.815 -12.663 -7.917 860 H LEU 110 HN LEU 110 3.404 -10.025 -9.399 861 HA LEU 110 HA LEU 110 2.036 -9.174 -11.850 862 HB2 LEU 110 2HB LEU 110 4.947 -9.211 -11.070 863 HB3 LEU 110 1HB LEU 110 4.411 -8.900 -12.706 864 HG LEU 110 HG LEU 110 4.838 -6.789 -11.783 865 HD11 LEU 110 1HD1 LEU 110 1.871 -7.237 -11.512 866 HD12 LEU 110 2HD1 LEU 110 2.735 -6.895 -13.011 867 HD13 LEU 110 3HD1 LEU 110 2.673 -5.681 -11.732 868 HD21 LEU 110 3HD2 LEU 110 3.234 -7.592 -9.358 869 HD22 LEU 110 1HD2 LEU 110 3.969 -6.012 -9.639 870 HD23 LEU 110 2HD2 LEU 110 4.990 -7.436 -9.441 871 H ALA 111 HN ALA 111 2.190 -11.933 -10.545 872 HA ALA 111 HA ALA 111 3.777 -13.611 -12.182 873 HB1 ALA 111 1HB ALA 111 3.013 -14.306 -9.975 874 HB2 ALA 111 2HB ALA 111 2.503 -15.457 -11.210 875 HB3 ALA 111 3HB ALA 111 1.342 -14.310 -10.541 876 H GLU 112 HN GLU 112 0.698 -12.152 -12.619 877 HA GLU 112 HA GLU 112 0.381 -13.589 -15.163 878 HB2 GLU 112 2HB GLU 112 -1.362 -14.302 -13.567 879 HB3 GLU 112 1HB GLU 112 -1.845 -12.627 -13.349 880 HG2 GLU 112 2HG GLU 112 -3.332 -13.890 -14.859 881 HG3 GLU 112 1HG GLU 112 -2.595 -12.482 -15.622 882 HA PRO 113 HA PRO 113 1.310 -9.197 -15.931 883 HB2 PRO 113 2HB PRO 113 1.766 -10.237 -18.661 884 HB3 PRO 113 1HB PRO 113 2.829 -9.266 -17.635 885 HG2 PRO 113 2HG PRO 113 3.319 -11.858 -18.050 886 HG3 PRO 113 1HG PRO 113 3.608 -11.113 -16.466 887 HD2 PRO 113 2HD PRO 113 1.334 -12.839 -17.363 888 HD3 PRO 113 1HD PRO 113 2.210 -12.842 -15.819 889 H GLN 114 HN GLN 114 -0.951 -11.240 -17.536 890 HA GLN 114 HA GLN 114 -2.128 -9.063 -19.038 891 HB2 GLN 114 2HB GLN 114 -2.890 -11.960 -18.701 892 HB3 GLN 114 1HB GLN 114 -3.895 -10.817 -19.576 893 HG2 GLN 114 2HG GLN 114 -1.088 -11.648 -20.251 894 HG3 GLN 114 1HG GLN 114 -2.560 -12.039 -21.139 895 HE21 GLN 114 1HE2 GLN 114 -3.615 -10.383 -22.299 896 HE22 GLN 114 2HE2 GLN 114 -2.770 -8.950 -22.783 897 H LYS 115 HN LYS 115 -2.457 -10.490 -15.951 898 HA LYS 115 HA LYS 115 -4.729 -8.780 -15.355 899 HB2 LYS 115 2HB LYS 115 -4.765 -11.777 -15.158 900 HB3 LYS 115 1HB LYS 115 -5.747 -10.798 -14.084 901 HG2 LYS 115 2HG LYS 115 -5.876 -10.716 -17.091 902 HG3 LYS 115 1HG LYS 115 -6.986 -11.610 -16.047 903 HD2 LYS 115 2HD LYS 115 -7.673 -9.519 -14.981 904 HD3 LYS 115 1HD LYS 115 -6.546 -8.624 -16.004 905 HE2 LYS 115 2HE LYS 115 -7.775 -9.311 -17.986 906 HE3 LYS 115 1HE LYS 115 -8.873 -10.268 -16.992 907 HZ1 LYS 115 3HZ LYS 115 -9.814 -8.115 -17.598 908 HZ2 LYS 115 1HZ LYS 115 -8.535 -7.321 -16.813 909 HZ3 LYS 115 2HZ LYS 115 -9.627 -8.260 -15.917 910 HA PRO 116 HA PRO 116 -1.386 -8.816 -12.123 911 HB2 PRO 116 2HB PRO 116 -2.292 -6.007 -11.915 912 HB3 PRO 116 1HB PRO 116 -0.653 -6.654 -12.051 913 HG2 PRO 116 2HG PRO 116 -1.808 -5.411 -14.110 914 HG3 PRO 116 1HG PRO 116 -0.765 -6.824 -14.359 915 HD2 PRO 116 2HD PRO 116 -3.754 -6.652 -14.374 916 HD3 PRO 116 1HD PRO 116 -2.675 -7.566 -15.448 917 H VAL 117 HN VAL 117 -1.976 -9.559 -10.181 918 HA VAL 117 HA VAL 117 -4.666 -8.954 -9.213 919 HB VAL 117 HB VAL 117 -2.675 -10.937 -8.104 920 HG11 VAL 117 1HG1 VAL 117 -4.654 -11.946 -7.049 921 HG12 VAL 117 2HG1 VAL 117 -5.635 -10.609 -7.651 922 HG13 VAL 117 3HG1 VAL 117 -4.348 -10.304 -6.484 923 HG21 VAL 117 3HG2 VAL 117 -4.960 -11.422 -10.008 924 HG22 VAL 117 1HG2 VAL 117 -3.941 -12.658 -9.275 925 HG23 VAL 117 2HG2 VAL 117 -3.244 -11.500 -10.409 926 H CYS 118 HN CYS 118 -4.946 -7.407 -7.758 927 HA CYS 118 HA CYS 118 -2.794 -6.910 -5.812 928 HB2 CYS 118 2HB CYS 118 -3.283 -4.977 -7.302 929 HB3 CYS 118 1HB CYS 118 -4.947 -4.984 -6.728 930 HG CYS 118 HG CYS 118 -2.428 -4.652 -4.469 931 H LYS 119 HN LYS 119 -3.262 -7.685 -3.865 932 HA LYS 119 HA LYS 119 -6.077 -7.647 -2.993 933 HB2 LYS 119 2HB LYS 119 -3.988 -9.754 -2.481 934 HB3 LYS 119 1HB LYS 119 -5.446 -9.620 -1.522 935 HG2 LYS 119 2HG LYS 119 -6.796 -9.974 -3.551 936 HG3 LYS 119 1HG LYS 119 -5.306 -10.175 -4.479 937 HD2 LYS 119 2HD LYS 119 -4.712 -12.129 -3.246 938 HD3 LYS 119 1HD LYS 119 -6.001 -11.855 -2.075 939 HE2 LYS 119 2HE LYS 119 -6.451 -12.445 -4.999 940 HE3 LYS 119 1HE LYS 119 -6.484 -13.660 -3.722 941 HZ1 LYS 119 3HZ LYS 119 -8.276 -12.286 -2.665 942 HZ2 LYS 119 1HZ LYS 119 -8.706 -13.022 -4.131 943 HZ3 LYS 119 2HZ LYS 119 -8.331 -11.373 -4.090 944 H SER 120 HN SER 120 -6.255 -7.715 -0.588 945 HA SER 120 HA SER 120 -4.088 -6.185 0.678 946 HB2 SER 120 2HB SER 120 -7.060 -5.796 1.108 947 HB3 SER 120 1HB SER 120 -5.769 -4.897 1.907 948 HG SER 120 HG SER 120 -5.477 -4.828 -0.778 949 H PHE 121 HN PHE 121 -3.252 -7.270 2.348 950 HA PHE 121 HA PHE 121 -4.995 -9.207 3.718 951 HB2 PHE 121 2HB PHE 121 -2.023 -9.322 3.202 952 HB3 PHE 121 1HB PHE 121 -2.861 -10.410 4.303 953 HD1 PHE 121 2HD PHE 121 -4.403 -12.086 3.464 954 HD2 PHE 121 1HD PHE 121 -2.258 -9.535 0.818 955 HE1 PHE 121 2HE PHE 121 -4.948 -13.582 1.589 956 HE2 PHE 121 1HE PHE 121 -2.792 -11.029 -1.061 957 HZ PHE 121 HZ PHE 121 -4.140 -13.055 -0.677 958 H LEU 122 HN LEU 122 -5.273 -9.031 5.817 959 HA LEU 122 HA LEU 122 -3.728 -6.999 7.265 960 HB2 LEU 122 2HB LEU 122 -6.289 -8.410 8.040 961 HB3 LEU 122 1HB LEU 122 -5.529 -7.098 8.920 962 HG LEU 122 HG LEU 122 -6.610 -6.836 6.115 963 HD11 LEU 122 1HD1 LEU 122 -7.865 -6.031 8.734 964 HD12 LEU 122 2HD1 LEU 122 -8.421 -7.320 7.669 965 HD13 LEU 122 3HD1 LEU 122 -8.485 -5.643 7.129 966 HD21 LEU 122 3HD2 LEU 122 -6.398 -4.445 6.525 967 HD22 LEU 122 1HD2 LEU 122 -4.838 -5.250 6.697 968 HD23 LEU 122 2HD2 LEU 122 -5.745 -4.768 8.132 969 H ILE 123 HN ILE 123 -1.953 -7.912 8.144 970 HA ILE 123 HA ILE 123 -2.099 -10.660 9.101 971 HB ILE 123 HB ILE 123 0.309 -8.830 9.023 972 HG12 ILE 123 2HG1 ILE 123 -0.546 -10.986 7.069 973 HG13 ILE 123 1HG1 ILE 123 -0.620 -9.251 6.769 974 HG21 ILE 123 1HG2 ILE 123 1.575 -10.938 9.228 975 HG22 ILE 123 2HG2 ILE 123 0.054 -11.815 9.406 976 HG23 ILE 123 3HG2 ILE 123 0.541 -10.634 10.624 977 HD11 ILE 123 3HD1 ILE 123 1.307 -10.285 5.693 978 HD12 ILE 123 1HD1 ILE 123 1.890 -10.837 7.263 979 HD13 ILE 123 2HD1 ILE 123 1.800 -9.111 6.914 980 H LYS 124 HN LYS 124 -2.869 -10.927 11.056 981 HA LYS 124 HA LYS 124 -2.427 -8.847 13.072 982 HB2 LYS 124 2HB LYS 124 -4.382 -11.158 13.051 983 HB3 LYS 124 1HB LYS 124 -4.296 -9.899 14.276 984 HG2 LYS 124 2HG LYS 124 -4.949 -9.457 11.367 985 HG3 LYS 124 1HG LYS 124 -6.124 -9.538 12.679 986 HD2 LYS 124 2HD LYS 124 -5.150 -7.570 13.714 987 HD3 LYS 124 1HD LYS 124 -3.889 -7.517 12.480 988 HE2 LYS 124 2HE LYS 124 -5.549 -7.099 10.762 989 HE3 LYS 124 1HE LYS 124 -6.846 -7.247 11.946 990 HZ1 LYS 124 3HZ LYS 124 -4.722 -5.166 12.017 991 HZ2 LYS 124 1HZ LYS 124 -6.055 -5.288 13.060 992 HZ3 LYS 124 2HZ LYS 124 -6.295 -4.931 11.422 993 H LYS 125 HN LYS 125 -2.687 -10.182 15.383 994 HA LYS 125 HA LYS 125 -0.162 -11.357 15.780 995 HB2 LYS 125 2HB LYS 125 -1.624 -10.232 17.511 996 HB3 LYS 125 1HB LYS 125 -2.578 -11.702 17.553 997 HG2 LYS 125 2HG LYS 125 -1.002 -11.655 19.388 998 HG3 LYS 125 1HG LYS 125 -0.614 -12.966 18.272 999 HD2 LYS 125 2HD LYS 125 1.124 -11.565 17.248 1000 HD3 LYS 125 1HD LYS 125 0.739 -10.268 18.380 1001 HE2 LYS 125 2HE LYS 125 1.370 -11.708 20.250 1002 HE3 LYS 125 1HE LYS 125 1.737 -13.016 19.127 1003 HZ1 LYS 125 3HZ LYS 125 3.132 -10.399 19.319 1004 HZ2 LYS 125 1HZ LYS 125 3.434 -11.560 18.118 1005 HZ3 LYS 125 2HZ LYS 125 3.755 -11.920 19.744 1006 H ASP 126 HN ASP 126 -3.380 -12.815 15.819 1007 HA ASP 126 HA ASP 126 -2.465 -15.475 16.106 1008 HB2 ASP 126 2HB ASP 126 -5.113 -14.402 15.126 1009 HB3 ASP 126 1HB ASP 126 -4.799 -16.106 15.435 1010 H GLY 127 HN GLY 127 -3.947 -13.920 13.244 1011 HA2 GLY 127 2HA GLY 127 -2.172 -15.422 11.507 1012 HA3 GLY 127 1HA GLY 127 -3.866 -15.875 11.414 1013 H VAL 128 HN VAL 128 -3.330 -15.185 9.121 1014 HA VAL 128 HA VAL 128 -3.494 -12.274 8.820 1015 HB VAL 128 HB VAL 128 -1.671 -13.310 7.578 1016 HG11 VAL 128 1HG1 VAL 128 -2.116 -14.842 5.707 1017 HG12 VAL 128 2HG1 VAL 128 -3.813 -14.909 6.183 1018 HG13 VAL 128 3HG1 VAL 128 -2.568 -15.535 7.264 1019 HG21 VAL 128 3HG2 VAL 128 -2.755 -11.337 6.626 1020 HG22 VAL 128 1HG2 VAL 128 -3.874 -12.372 5.741 1021 HG23 VAL 128 2HG2 VAL 128 -2.151 -12.406 5.359 1022 H ASP 129 HN ASP 129 -5.265 -11.308 8.090 1023 HA ASP 129 HA ASP 129 -7.492 -13.011 7.179 1024 HB2 ASP 129 2HB ASP 129 -7.857 -11.716 9.290 1025 HB3 ASP 129 1HB ASP 129 -7.639 -10.233 8.368 1026 H GLU 130 HN GLU 130 -8.149 -12.786 5.140 1027 HA GLU 130 HA GLU 130 -6.841 -10.852 3.464 1028 HB2 GLU 130 2HB GLU 130 -8.140 -11.988 1.653 1029 HB3 GLU 130 1HB GLU 130 -7.071 -13.042 2.559 1030 HG2 GLU 130 2HG GLU 130 -8.967 -13.880 3.831 1031 HG3 GLU 130 1HG GLU 130 -10.047 -12.801 2.947 1032 H GLU 131 HN GLU 131 -7.667 -9.051 2.635 1033 HA GLU 131 HA GLU 131 -10.455 -8.384 3.321 1034 HB2 GLU 131 2HB GLU 131 -8.782 -7.103 4.612 1035 HB3 GLU 131 1HB GLU 131 -8.067 -6.533 3.112 1036 HG2 GLU 131 2HG GLU 131 -9.514 -4.865 4.183 1037 HG3 GLU 131 1HG GLU 131 -10.059 -5.313 2.566 1038 H GLU 132 HN GLU 132 -11.616 -7.100 1.794 1039 HA GLU 132 HA GLU 132 -10.655 -7.555 -0.943 1040 HB2 GLU 132 2HB GLU 132 -12.798 -8.614 -0.316 1041 HB3 GLU 132 1HB GLU 132 -13.459 -7.029 0.054 1042 HG2 GLU 132 2HG GLU 132 -13.391 -6.368 -2.219 1043 HG3 GLU 132 1HG GLU 132 -12.431 -7.776 -2.668 1044 H ILE 133 HN ILE 133 -10.751 -5.917 -2.484 1045 HA ILE 133 HA ILE 133 -10.594 -3.229 -1.332 1046 HB ILE 133 HB ILE 133 -9.676 -4.149 -4.066 1047 HG12 ILE 133 2HG1 ILE 133 -8.068 -3.742 -1.531 1048 HG13 ILE 133 1HG1 ILE 133 -8.439 -5.295 -2.270 1049 HG21 ILE 133 1HG2 ILE 133 -9.110 -1.630 -2.505 1050 HG22 ILE 133 2HG2 ILE 133 -10.132 -1.764 -3.936 1051 HG23 ILE 133 3HG2 ILE 133 -8.396 -2.051 -4.063 1052 HD11 ILE 133 3HD1 ILE 133 -6.161 -4.535 -2.751 1053 HD12 ILE 133 1HD1 ILE 133 -6.820 -3.109 -3.552 1054 HD13 ILE 133 2HD1 ILE 133 -7.131 -4.715 -4.214 1055 H ILE 134 HN ILE 134 -11.984 -1.664 -1.859 1056 HA ILE 134 HA ILE 134 -14.052 -2.264 -3.846 1057 HB ILE 134 HB ILE 134 -13.932 -0.012 -1.827 1058 HG12 ILE 134 2HG1 ILE 134 -14.185 -2.194 -0.744 1059 HG13 ILE 134 1HG1 ILE 134 -15.674 -1.263 -0.620 1060 HG21 ILE 134 1HG2 ILE 134 -16.150 -0.885 -3.672 1061 HG22 ILE 134 2HG2 ILE 134 -15.232 0.619 -3.762 1062 HG23 ILE 134 3HG2 ILE 134 -16.308 0.321 -2.396 1063 HD11 ILE 134 3HD1 ILE 134 -15.135 -3.513 -2.546 1064 HD12 ILE 134 1HD1 ILE 134 -16.623 -2.568 -2.464 1065 HD13 ILE 134 2HD1 ILE 134 -16.147 -3.582 -1.102 1066 H LEU 135 HN LEU 135 -13.666 -1.576 -5.825 1067 HA LEU 135 HA LEU 135 -11.686 0.535 -6.236 1068 HB2 LEU 135 2HB LEU 135 -12.847 -1.553 -8.073 1069 HB3 LEU 135 1HB LEU 135 -11.794 -0.268 -8.636 1070 HG LEU 135 HG LEU 135 -11.043 -2.369 -6.605 1071 HD11 LEU 135 1HD1 LEU 135 -9.593 -3.232 -8.394 1072 HD12 LEU 135 2HD1 LEU 135 -10.306 -2.068 -9.512 1073 HD13 LEU 135 3HD1 LEU 135 -11.305 -3.338 -8.805 1074 HD21 LEU 135 3HD2 LEU 135 -9.364 -0.264 -7.965 1075 HD22 LEU 135 1HD2 LEU 135 -8.795 -1.482 -6.824 1076 HD23 LEU 135 2HD2 LEU 135 -9.899 -0.217 -6.284 1077 H LYS 136 HN LYS 136 -12.382 2.510 -6.501 1078 HA LYS 136 HA LYS 136 -14.940 2.988 -7.833 1079 HB2 LYS 136 2HB LYS 136 -13.031 4.852 -6.405 1080 HB3 LYS 136 1HB LYS 136 -14.497 5.386 -7.218 1081 HG2 LYS 136 2HG LYS 136 -15.825 3.966 -5.708 1082 HG3 LYS 136 1HG LYS 136 -14.342 3.496 -4.875 1083 HD2 LYS 136 2HD LYS 136 -13.948 5.799 -4.218 1084 HD3 LYS 136 1HD LYS 136 -15.371 6.324 -5.122 1085 HE2 LYS 136 2HE LYS 136 -16.806 5.012 -3.657 1086 HE3 LYS 136 1HE LYS 136 -15.395 4.418 -2.784 1087 HZ1 LYS 136 3HZ LYS 136 -16.298 7.245 -2.924 1088 HZ2 LYS 136 1HZ LYS 136 -14.920 6.695 -2.106 1089 HZ3 LYS 136 2HZ LYS 136 -16.453 6.211 -1.586 1090 H GLU 137 HN GLU 137 -15.022 4.619 -9.577 1091 HA GLU 137 HA GLU 137 -12.881 4.051 -11.459 1092 HB2 GLU 137 2HB GLU 137 -15.518 4.082 -11.827 1093 HB3 GLU 137 1HB GLU 137 -15.204 5.777 -12.163 1094 HG2 GLU 137 2HG GLU 137 -15.174 4.664 -14.237 1095 HG3 GLU 137 1HG GLU 137 -13.493 5.024 -13.841 1096 H GLU 138 HN GLU 138 -14.101 6.588 -9.537 1097 HA GLU 138 HA GLU 138 -12.041 8.418 -10.529 1098 HB2 GLU 138 2HB GLU 138 -14.907 9.148 -9.904 1099 HB3 GLU 138 1HB GLU 138 -13.640 10.272 -10.343 1100 HG2 GLU 138 2HG GLU 138 -13.492 9.329 -12.551 1101 HG3 GLU 138 1HG GLU 138 -14.644 8.067 -12.119 1102 H LEU 139 HN LEU 139 -11.885 10.350 -8.931 1103 HA LEU 139 HA LEU 139 -11.573 9.286 -6.267 1104 HB2 LEU 139 2HB LEU 139 -11.096 12.045 -7.399 1105 HB3 LEU 139 1HB LEU 139 -10.720 11.574 -5.752 1106 HG LEU 139 HG LEU 139 -9.477 10.343 -8.215 1107 HD11 LEU 139 1HD1 LEU 139 -7.480 11.602 -7.611 1108 HD12 LEU 139 2HD1 LEU 139 -8.344 12.356 -6.273 1109 HD13 LEU 139 3HD1 LEU 139 -8.828 12.691 -7.936 1110 HD21 LEU 139 3HD2 LEU 139 -8.799 10.071 -5.287 1111 HD22 LEU 139 1HD2 LEU 139 -7.898 9.363 -6.628 1112 HD23 LEU 139 2HD2 LEU 139 -9.548 8.834 -6.298 1113 H GLU 140 HN GLU 140 -12.213 11.331 -4.581 1114 HA GLU 140 HA GLU 140 -15.036 11.078 -4.380 1115 HB2 GLU 140 2HB GLU 140 -13.639 11.296 -2.382 1116 HB3 GLU 140 1HB GLU 140 -13.138 12.903 -2.891 1117 HG2 GLU 140 2HG GLU 140 -15.368 13.745 -2.623 1118 HG3 GLU 140 1HG GLU 140 -15.977 12.130 -2.271 1119 H HIS 141 HN HIS 141 -16.550 12.218 -5.337 1120 HA HIS 141 HA HIS 141 -16.276 15.037 -5.830 1121 HB2 HIS 141 2HB HIS 141 -16.598 14.966 -8.245 1122 HB3 HIS 141 1HB HIS 141 -15.122 14.117 -7.816 1123 HD1 HIS 141 1HD HIS 141 -15.577 11.341 -7.605 1124 HD2 HIS 141 2HD HIS 141 -18.087 13.603 -10.032 1125 HE1 HIS 141 1HE HIS 141 -16.651 9.708 -9.182 1126 HE2 HIS 141 2HE HIS 141 -17.917 11.142 -10.813 1127 H HIS 142 HN HIS 142 -18.336 15.798 -7.088 1128 HA HIS 142 HA HIS 142 -20.585 15.059 -5.590 1129 HB2 HIS 142 2HB HIS 142 -20.165 16.643 -8.091 1130 HB3 HIS 142 1HB HIS 142 -21.808 16.190 -7.645 1131 HD1 HIS 142 1HD HIS 142 -22.629 18.474 -7.000 1132 HD2 HIS 142 2HD HIS 142 -19.149 17.379 -5.006 1133 HE1 HIS 142 1HE HIS 142 -22.303 20.204 -5.200 1134 HE2 HIS 142 2HE HIS 142 -20.338 19.370 -3.859 1135 H HIS 143 HN HIS 143 -22.433 13.867 -6.098 1136 HA HIS 143 HA HIS 143 -21.865 11.529 -7.690 1137 HB2 HIS 143 2HB HIS 143 -24.249 12.324 -6.016 1138 HB3 HIS 143 1HB HIS 143 -24.161 10.810 -6.912 1139 HD1 HIS 143 1HD HIS 143 -22.736 8.939 -5.938 1140 HD2 HIS 143 2HD HIS 143 -22.481 12.495 -3.794 1141 HE1 HIS 143 1HE HIS 143 -21.533 8.363 -3.806 1142 HE2 HIS 143 2HE HIS 143 -21.546 10.486 -2.449 1143 H HIS 144 HN HIS 144 -23.247 10.743 -9.364 1144 HA HIS 144 HA HIS 144 -24.283 10.899 -11.372 1145 HB2 HIS 144 2HB HIS 144 -25.252 13.569 -10.346 1146 HB3 HIS 144 1HB HIS 144 -25.671 12.926 -11.929 1147 HD1 HIS 144 1HD HIS 144 -27.029 13.196 -8.700 1148 HD2 HIS 144 2HD HIS 144 -26.860 10.134 -11.505 1149 HE1 HIS 144 1HE HIS 144 -28.875 11.609 -8.080 1150 HE2 HIS 144 2HE HIS 144 -28.601 9.658 -9.651 1151 H HIS 145 HN HIS 145 -24.297 12.449 -13.398 1152 HA HIS 145 HA HIS 145 -23.042 13.417 -15.023 1153 HB2 HIS 145 2HB HIS 145 -21.660 14.590 -12.634 1154 HB3 HIS 145 1HB HIS 145 -20.974 14.799 -14.240 1155 HD1 HIS 145 1HD HIS 145 -23.368 16.270 -11.944 1156 HD2 HIS 145 2HD HIS 145 -22.857 16.132 -16.070 1157 HE1 HIS 145 1HE HIS 145 -24.732 18.174 -12.865 1158 HE2 HIS 145 2HE HIS 145 -24.285 18.160 -15.348 1159 H HIS 146 HN HIS 146 -21.977 12.079 -16.296 1160 HA HIS 146 HA HIS 146 -19.701 10.590 -15.178 1161 HB2 HIS 146 2HB HIS 146 -21.242 10.053 -17.730 1162 HB3 HIS 146 1HB HIS 146 -19.945 9.061 -17.079 1163 HD1 HIS 146 1HD HIS 146 -23.211 8.551 -17.561 1164 HD2 HIS 146 2HD HIS 146 -21.022 8.680 -14.026 1165 HE1 HIS 146 1HE HIS 146 -24.578 7.284 -15.871 1166 HE2 HIS 146 2HE HIS 146 -23.331 7.556 -13.705 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -12.373 -3.344 5.399 2 H2 MET 1 H2 MET 1 -13.885 -3.939 4.931 3 H3 MET 1 H3 MET 1 -13.642 -2.266 5.058 4 HA MET 1 HA MET 1 -12.260 -4.060 3.144 5 HB2 MET 1 2HB MET 1 -13.658 -3.163 1.417 6 HB3 MET 1 1HB MET 1 -14.718 -3.732 2.700 7 HG2 MET 1 2HG MET 1 -15.030 -1.463 3.490 8 HG3 MET 1 1HG MET 1 -13.902 -0.863 2.278 9 HE1 MET 1 2HE MET 1 -16.790 0.380 2.660 10 HE2 MET 1 3HE MET 1 -17.282 0.548 0.974 11 HE3 MET 1 1HE MET 1 -15.625 0.917 1.448 12 H ILE 2 HN ILE 2 -10.969 -2.918 1.592 13 HA ILE 2 HA ILE 2 -10.305 -0.159 2.376 14 HB ILE 2 HB ILE 2 -8.405 -1.520 2.915 15 HG12 ILE 2 2HG1 ILE 2 -7.918 -0.067 0.309 16 HG13 ILE 2 1HG1 ILE 2 -7.951 0.668 1.908 17 HG21 ILE 2 1HG2 ILE 2 -7.255 -2.941 1.309 18 HG22 ILE 2 2HG2 ILE 2 -8.472 -2.564 0.089 19 HG23 ILE 2 3HG2 ILE 2 -8.926 -3.464 1.536 20 HD11 ILE 2 3HD1 ILE 2 -5.680 0.344 1.117 21 HD12 ILE 2 1HD1 ILE 2 -5.974 -1.388 0.960 22 HD13 ILE 2 2HD1 ILE 2 -5.999 -0.629 2.553 23 H THR 3 HN THR 3 -10.650 1.321 0.877 24 HA THR 3 HA THR 3 -11.305 0.361 -1.827 25 HB THR 3 HB THR 3 -12.332 2.842 -0.435 26 HG1 THR 3 1HG THR 3 -13.620 0.337 -0.905 27 HG21 THR 3 3HG2 THR 3 -12.323 2.999 -2.891 28 HG22 THR 3 1HG2 THR 3 -13.965 2.912 -2.254 29 HG23 THR 3 2HG2 THR 3 -13.226 1.487 -2.986 30 H LEU 4 HN LEU 4 -10.135 1.063 -3.472 31 HA LEU 4 HA LEU 4 -9.015 3.743 -3.356 32 HB2 LEU 4 2HB LEU 4 -6.914 2.919 -4.467 33 HB3 LEU 4 1HB LEU 4 -7.080 2.551 -2.767 34 HG LEU 4 HG LEU 4 -7.982 0.244 -3.666 35 HD11 LEU 4 1HD1 LEU 4 -8.012 0.846 -6.013 36 HD12 LEU 4 2HD1 LEU 4 -6.839 -0.440 -5.724 37 HD13 LEU 4 3HD1 LEU 4 -6.288 1.219 -5.961 38 HD21 LEU 4 3HD2 LEU 4 -6.009 0.515 -2.283 39 HD22 LEU 4 1HD2 LEU 4 -5.069 1.021 -3.687 40 HD23 LEU 4 2HD2 LEU 4 -5.691 -0.626 -3.590 41 H THR 5 HN THR 5 -8.312 4.435 -5.591 42 HA THR 5 HA THR 5 -10.585 3.731 -7.275 43 HB THR 5 HB THR 5 -10.134 5.802 -8.468 44 HG1 THR 5 1HG THR 5 -8.340 7.115 -7.380 45 HG21 THR 5 3HG2 THR 5 -11.423 5.956 -6.403 46 HG22 THR 5 1HG2 THR 5 -10.429 7.396 -6.622 47 HG23 THR 5 2HG2 THR 5 -9.934 6.151 -5.473 48 H LYS 6 HN LYS 6 -10.252 3.704 -9.653 49 HA LYS 6 HA LYS 6 -8.356 1.892 -10.582 50 HB2 LYS 6 2HB LYS 6 -10.521 3.005 -11.657 51 HB3 LYS 6 1HB LYS 6 -9.335 4.077 -12.377 52 HG2 LYS 6 2HG LYS 6 -9.141 1.094 -12.625 53 HG3 LYS 6 1HG LYS 6 -10.091 2.073 -13.741 54 HD2 LYS 6 2HD LYS 6 -8.021 3.398 -14.208 55 HD3 LYS 6 1HD LYS 6 -7.120 2.227 -13.240 56 HE2 LYS 6 2HE LYS 6 -7.821 0.433 -14.739 57 HE3 LYS 6 1HE LYS 6 -8.756 1.583 -15.694 58 HZ1 LYS 6 3HZ LYS 6 -6.662 2.756 -16.190 59 HZ2 LYS 6 1HZ LYS 6 -6.664 1.156 -16.760 60 HZ3 LYS 6 2HZ LYS 6 -5.803 1.554 -15.354 61 H LYS 7 HN LYS 7 -8.297 5.385 -10.345 62 HA LYS 7 HA LYS 7 -5.900 5.979 -11.624 63 HB2 LYS 7 2HB LYS 7 -7.742 7.515 -10.881 64 HB3 LYS 7 1HB LYS 7 -7.165 7.332 -9.235 65 HG2 LYS 7 2HG LYS 7 -6.235 9.306 -9.881 66 HG3 LYS 7 1HG LYS 7 -4.926 8.163 -10.179 67 HD2 LYS 7 2HD LYS 7 -5.247 8.218 -12.491 68 HD3 LYS 7 1HD LYS 7 -6.874 8.890 -12.338 69 HE2 LYS 7 2HE LYS 7 -5.721 10.938 -11.319 70 HE3 LYS 7 1HE LYS 7 -4.229 10.263 -11.972 71 HZ1 LYS 7 3HZ LYS 7 -5.001 10.476 -14.149 72 HZ2 LYS 7 1HZ LYS 7 -5.479 11.921 -13.398 73 HZ3 LYS 7 2HZ LYS 7 -6.612 10.687 -13.665 74 H GLN 8 HN GLN 8 -6.594 5.241 -8.202 75 HA GLN 8 HA GLN 8 -3.934 5.591 -7.287 76 HB2 GLN 8 2HB GLN 8 -6.193 3.954 -6.108 77 HB3 GLN 8 1HB GLN 8 -4.698 4.356 -5.275 78 HG2 GLN 8 2HG GLN 8 -6.639 6.402 -6.317 79 HG3 GLN 8 1HG GLN 8 -6.656 5.771 -4.672 80 HE21 GLN 8 1HE2 GLN 8 -5.124 6.423 -3.236 81 HE22 GLN 8 2HE2 GLN 8 -4.028 7.720 -3.545 82 H MET 9 HN MET 9 -5.703 2.805 -8.555 83 HA MET 9 HA MET 9 -3.648 0.913 -8.104 84 HB2 MET 9 2HB MET 9 -5.900 0.190 -8.672 85 HB3 MET 9 1HB MET 9 -5.799 0.997 -10.231 86 HG2 MET 9 2HG MET 9 -4.089 -0.532 -10.965 87 HG3 MET 9 1HG MET 9 -4.034 -1.283 -9.372 88 HE1 MET 9 3HE MET 9 -7.418 -3.133 -9.132 89 HE2 MET 9 1HE MET 9 -6.935 -1.576 -8.463 90 HE3 MET 9 2HE MET 9 -5.812 -2.938 -8.431 91 H GLU 10 HN GLU 10 -4.417 3.035 -10.837 92 HA GLU 10 HA GLU 10 -2.349 2.354 -12.556 93 HB2 GLU 10 2HB GLU 10 -3.769 4.960 -12.021 94 HB3 GLU 10 1HB GLU 10 -2.651 4.740 -13.339 95 HG2 GLU 10 2HG GLU 10 -5.205 3.228 -12.927 96 HG3 GLU 10 1HG GLU 10 -4.945 4.530 -14.083 97 H GLU 11 HN GLU 11 -2.439 4.635 -9.849 98 HA GLU 11 HA GLU 11 0.104 5.723 -10.032 99 HB2 GLU 11 2HB GLU 11 -1.757 5.129 -7.748 100 HB3 GLU 11 1HB GLU 11 -0.199 5.871 -7.465 101 HG2 GLU 11 2HG GLU 11 -2.206 7.013 -9.372 102 HG3 GLU 11 1HG GLU 11 -2.180 7.418 -7.657 103 H MET 12 HN MET 12 -0.965 2.796 -8.320 104 HA MET 12 HA MET 12 1.641 2.114 -7.398 105 HB2 MET 12 2HB MET 12 -0.867 0.454 -7.692 106 HB3 MET 12 1HB MET 12 0.606 -0.121 -6.923 107 HG2 MET 12 2HG MET 12 0.416 1.685 -5.265 108 HG3 MET 12 1HG MET 12 -1.089 2.201 -6.028 109 HE1 MET 12 3HE MET 12 -2.394 -0.630 -6.783 110 HE2 MET 12 1HE MET 12 -3.293 0.720 -6.090 111 HE3 MET 12 2HE MET 12 -3.417 -0.886 -5.370 112 H LEU 13 HN LEU 13 -0.284 1.182 -10.204 113 HA LEU 13 HA LEU 13 1.416 -0.844 -11.169 114 HB2 LEU 13 2HB LEU 13 -0.591 0.933 -12.543 115 HB3 LEU 13 1HB LEU 13 0.272 -0.339 -13.380 116 HG LEU 13 HG LEU 13 -1.620 -0.714 -11.057 117 HD11 LEU 13 1HD1 LEU 13 -3.000 -1.878 -12.725 118 HD12 LEU 13 2HD1 LEU 13 -1.854 -1.404 -13.981 119 HD13 LEU 13 3HD1 LEU 13 -2.773 -0.173 -13.114 120 HD21 LEU 13 3HD2 LEU 13 -0.093 -2.746 -12.676 121 HD22 LEU 13 1HD2 LEU 13 -1.315 -3.106 -11.456 122 HD23 LEU 13 2HD2 LEU 13 0.200 -2.333 -10.988 123 H ALA 14 HN ALA 14 1.270 2.627 -11.919 124 HA ALA 14 HA ALA 14 3.278 2.639 -13.884 125 HB1 ALA 14 1HB ALA 14 1.765 4.520 -13.541 126 HB2 ALA 14 2HB ALA 14 3.447 5.041 -13.447 127 HB3 ALA 14 3HB ALA 14 2.500 4.840 -11.972 128 H HIS 15 HN HIS 15 3.457 3.163 -10.378 129 HA HIS 15 HA HIS 15 6.258 3.557 -10.317 130 HB2 HIS 15 2HB HIS 15 4.593 4.136 -8.476 131 HB3 HIS 15 1HB HIS 15 4.632 2.436 -8.036 132 HD1 HIS 15 1HD HIS 15 7.003 5.397 -8.331 133 HD2 HIS 15 2HD HIS 15 6.684 1.731 -6.385 134 HE1 HIS 15 1HE HIS 15 8.933 5.309 -6.724 135 HE2 HIS 15 2HE HIS 15 8.615 3.168 -5.432 136 H ALA 16 HN ALA 16 4.224 0.715 -10.178 137 HA ALA 16 HA ALA 16 6.152 -1.180 -9.459 138 HB1 ALA 16 1HB ALA 16 3.807 -1.557 -11.310 139 HB2 ALA 16 2HB ALA 16 3.763 -1.685 -9.552 140 HB3 ALA 16 3HB ALA 16 4.707 -2.837 -10.497 141 H ARG 17 HN ARG 17 5.119 -0.162 -12.714 142 HA ARG 17 HA ARG 17 7.018 -1.751 -14.076 143 HB2 ARG 17 2HB ARG 17 5.556 0.739 -14.947 144 HB3 ARG 17 1HB ARG 17 6.531 -0.255 -16.020 145 HG2 ARG 17 2HG ARG 17 4.083 -1.164 -14.523 146 HG3 ARG 17 1HG ARG 17 4.167 -0.756 -16.235 147 HD2 ARG 17 2HD ARG 17 5.711 -2.572 -16.637 148 HD3 ARG 17 1HD ARG 17 5.751 -2.953 -14.916 149 HE ARG 17 HE ARG 17 3.105 -3.041 -16.002 150 HH11 ARG 17 1HH1 ARG 17 6.078 -4.880 -15.719 151 HH12 ARG 17 2HH1 ARG 17 5.268 -6.421 -15.773 152 HH21 ARG 17 1HH2 ARG 17 2.054 -5.058 -16.100 153 HH22 ARG 17 2HH2 ARG 17 3.001 -6.519 -16.009 154 H GLN 18 HN GLN 18 7.092 1.502 -12.799 155 HA GLN 18 HA GLN 18 9.524 2.366 -13.892 156 HB2 GLN 18 2HB GLN 18 7.964 3.892 -12.839 157 HB3 GLN 18 1HB GLN 18 8.145 3.071 -11.298 158 HG2 GLN 18 2HG GLN 18 10.552 3.758 -11.319 159 HG3 GLN 18 1HG GLN 18 10.186 4.735 -12.741 160 HE21 GLN 18 1HE2 GLN 18 10.747 6.624 -11.638 161 HE22 GLN 18 2HE2 GLN 18 9.705 7.317 -10.438 162 H ALA 19 HN ALA 19 8.786 0.609 -10.926 163 HA ALA 19 HA ALA 19 11.510 0.741 -9.995 164 HB1 ALA 19 1HB ALA 19 10.708 -0.489 -8.061 165 HB2 ALA 19 2HB ALA 19 9.164 -0.769 -8.864 166 HB3 ALA 19 3HB ALA 19 9.645 0.869 -8.424 167 H LEU 20 HN LEU 20 9.375 -1.842 -11.224 168 HA LEU 20 HA LEU 20 10.967 -4.015 -10.556 169 HB2 LEU 20 2HB LEU 20 9.144 -3.702 -12.940 170 HB3 LEU 20 1HB LEU 20 9.781 -5.223 -12.357 171 HG LEU 20 HG LEU 20 7.878 -3.407 -10.873 172 HD11 LEU 20 1HD1 LEU 20 6.279 -5.220 -11.178 173 HD12 LEU 20 2HD1 LEU 20 7.472 -6.131 -12.104 174 HD13 LEU 20 3HD1 LEU 20 6.846 -4.605 -12.731 175 HD21 LEU 20 3HD2 LEU 20 9.062 -6.069 -10.076 176 HD22 LEU 20 1HD2 LEU 20 7.775 -5.225 -9.217 177 HD23 LEU 20 2HD2 LEU 20 9.384 -4.508 -9.318 178 HA PRO 21 HA PRO 21 11.862 -5.661 -10.799 179 HB2 PRO 21 2HB PRO 21 14.575 -6.551 -10.807 180 HB3 PRO 21 1HB PRO 21 13.169 -7.370 -11.487 181 HG2 PRO 21 2HG PRO 21 15.269 -6.333 -12.964 182 HG3 PRO 21 1HG PRO 21 13.653 -6.681 -13.601 183 HD2 PRO 21 2HD PRO 21 14.832 -4.074 -12.728 184 HD3 PRO 21 1HD PRO 21 13.749 -4.424 -14.095 185 H ASN 22 HN ASN 22 11.878 -5.136 -8.704 186 HA ASN 22 HA ASN 22 14.016 -4.382 -7.118 187 HB2 ASN 22 2HB ASN 22 14.083 -2.323 -8.461 188 HB3 ASN 22 1HB ASN 22 12.390 -2.018 -8.098 189 HD21 ASN 22 1HD2 ASN 22 15.617 -2.161 -6.774 190 HD22 ASN 22 2HD2 ASN 22 15.267 -1.256 -5.345 191 H GLU 23 HN GLU 23 10.686 -4.487 -7.831 192 HA GLU 23 HA GLU 23 8.804 -4.832 -6.642 193 HB2 GLU 23 2HB GLU 23 10.719 -5.105 -4.344 194 HB3 GLU 23 1HB GLU 23 8.982 -5.057 -4.077 195 HG2 GLU 23 2HG GLU 23 9.043 -6.930 -5.958 196 HG3 GLU 23 1HG GLU 23 10.665 -7.155 -5.302 197 H ALA 24 HN ALA 24 7.665 -3.103 -6.933 198 HA ALA 24 HA ALA 24 8.371 -0.519 -6.006 199 HB1 ALA 24 1HB ALA 24 7.019 -0.717 -7.968 200 HB2 ALA 24 2HB ALA 24 6.049 0.077 -6.727 201 HB3 ALA 24 3HB ALA 24 5.788 -1.627 -7.094 202 H CYS 25 HN CYS 25 8.304 0.108 -3.983 203 HA CYS 25 HA CYS 25 6.280 -1.045 -2.188 204 HB2 CYS 25 2HB CYS 25 9.023 0.022 -1.473 205 HB3 CYS 25 1HB CYS 25 7.878 -0.730 -0.366 206 HG CYS 25 HG CYS 25 9.455 -2.302 -2.968 207 H GLY 26 HN GLY 26 5.756 0.467 -0.316 208 HA2 GLY 26 2HA GLY 26 6.358 3.155 -0.255 209 HA3 GLY 26 1HA GLY 26 4.990 3.011 -1.350 210 H LEU 27 HN LEU 27 4.022 4.411 0.327 211 HA LEU 27 HA LEU 27 2.895 2.784 2.518 212 HB2 LEU 27 2HB LEU 27 3.591 5.727 2.564 213 HB3 LEU 27 1HB LEU 27 2.758 4.876 3.848 214 HG LEU 27 HG LEU 27 5.588 4.325 2.946 215 HD11 LEU 27 1HD1 LEU 27 6.232 5.334 5.074 216 HD12 LEU 27 2HD1 LEU 27 4.543 5.720 5.404 217 HD13 LEU 27 3HD1 LEU 27 5.374 6.488 4.051 218 HD21 LEU 27 3HD2 LEU 27 4.471 2.340 3.836 219 HD22 LEU 27 1HD2 LEU 27 4.016 3.243 5.280 220 HD23 LEU 27 2HD2 LEU 27 5.717 2.924 4.939 221 H LEU 28 HN LEU 28 0.742 3.385 3.162 222 HA LEU 28 HA LEU 28 -0.765 4.665 0.974 223 HB2 LEU 28 2HB LEU 28 -1.694 2.621 2.997 224 HB3 LEU 28 1HB LEU 28 -2.687 3.337 1.743 225 HG LEU 28 HG LEU 28 -0.270 1.598 1.237 226 HD11 LEU 28 1HD1 LEU 28 -3.214 0.970 1.082 227 HD12 LEU 28 2HD1 LEU 28 -2.063 0.316 2.248 228 HD13 LEU 28 3HD1 LEU 28 -1.911 -0.087 0.537 229 HD21 LEU 28 3HD2 LEU 28 -2.371 2.693 -0.632 230 HD22 LEU 28 1HD2 LEU 28 -1.081 1.573 -1.071 231 HD23 LEU 28 2HD2 LEU 28 -0.687 3.209 -0.545 232 H GLY 29 HN GLY 29 -1.773 6.503 1.423 233 HA2 GLY 29 2HA GLY 29 -2.304 7.126 4.261 234 HA3 GLY 29 1HA GLY 29 -1.712 8.329 3.124 235 H GLY 30 HN GLY 30 -4.284 7.809 4.767 236 HA2 GLY 30 2HA GLY 30 -6.047 9.181 3.058 237 HA3 GLY 30 1HA GLY 30 -6.435 7.463 3.005 238 H ARG 31 HN ARG 31 -8.484 8.074 3.960 239 HA ARG 31 HA ARG 31 -8.214 8.405 6.870 240 HB2 ARG 31 2HB ARG 31 -10.090 9.780 4.984 241 HB3 ARG 31 1HB ARG 31 -10.530 9.551 6.673 242 HG2 ARG 31 2HG ARG 31 -8.629 10.800 7.412 243 HG3 ARG 31 1HG ARG 31 -7.992 10.886 5.772 244 HD2 ARG 31 2HD ARG 31 -10.660 12.034 6.521 245 HD3 ARG 31 1HD ARG 31 -9.162 12.952 6.676 246 HE ARG 31 HE ARG 31 -9.498 11.800 4.062 247 HH11 ARG 31 1HH1 ARG 31 -10.386 14.500 6.135 248 HH12 ARG 31 2HH1 ARG 31 -10.645 15.587 4.804 249 HH21 ARG 31 1HH2 ARG 31 -9.816 13.249 2.325 250 HH22 ARG 31 2HH2 ARG 31 -10.329 14.889 2.659 251 H ARG 32 HN ARG 32 -9.708 7.369 8.178 252 HA ARG 32 HA ARG 32 -11.119 5.176 6.815 253 HB2 ARG 32 2HB ARG 32 -10.776 3.869 8.913 254 HB3 ARG 32 1HB ARG 32 -9.287 4.269 8.068 255 HG2 ARG 32 2HG ARG 32 -8.874 6.083 9.650 256 HG3 ARG 32 1HG ARG 32 -10.368 5.675 10.502 257 HD2 ARG 32 2HD ARG 32 -9.466 3.440 10.978 258 HD3 ARG 32 1HD ARG 32 -7.972 3.874 10.144 259 HE ARG 32 HE ARG 32 -7.654 5.588 11.885 260 HH11 ARG 32 1HH1 ARG 32 -9.725 2.854 12.512 261 HH12 ARG 32 2HH1 ARG 32 -9.624 2.995 14.236 262 HH21 ARG 32 1HH2 ARG 32 -7.462 5.774 14.141 263 HH22 ARG 32 2HH2 ARG 32 -8.340 4.684 15.179 264 H ASP 33 HN ASP 33 -13.206 4.826 7.261 265 HA ASP 33 HA ASP 33 -14.463 6.276 9.488 266 HB2 ASP 33 2HB ASP 33 -14.673 7.606 7.304 267 HB3 ASP 33 1HB ASP 33 -15.680 6.287 6.716 268 H GLY 34 HN GLY 34 -15.571 4.814 10.630 269 HA2 GLY 34 2HA GLY 34 -16.760 2.887 11.126 270 HA3 GLY 34 1HA GLY 34 -17.074 2.697 9.403 271 H ASP 35 HN ASP 35 -13.903 3.162 10.599 272 HA ASP 35 HA ASP 35 -12.035 1.911 10.779 273 HB2 ASP 35 2HB ASP 35 -13.585 0.236 11.933 274 HB3 ASP 35 1HB ASP 35 -13.628 -0.606 10.391 275 H ASP 36 HN ASP 36 -14.248 1.460 8.149 276 HA ASP 36 HA ASP 36 -12.498 0.167 6.350 277 HB2 ASP 36 2HB ASP 36 -14.780 2.056 5.792 278 HB3 ASP 36 1HB ASP 36 -13.913 1.176 4.548 279 H ARG 37 HN ARG 37 -11.536 1.182 4.444 280 HA ARG 37 HA ARG 37 -10.160 3.660 5.246 281 HB2 ARG 37 2HB ARG 37 -8.766 1.251 4.073 282 HB3 ARG 37 1HB ARG 37 -8.023 2.697 4.738 283 HG2 ARG 37 2HG ARG 37 -8.600 2.097 6.950 284 HG3 ARG 37 1HG ARG 37 -9.672 0.810 6.394 285 HD2 ARG 37 2HD ARG 37 -7.583 -0.217 5.332 286 HD3 ARG 37 1HD ARG 37 -6.668 0.906 6.338 287 HE ARG 37 HE ARG 37 -7.338 -0.269 8.241 288 HH11 ARG 37 1HH1 ARG 37 -8.749 -1.605 5.339 289 HH12 ARG 37 2HH1 ARG 37 -9.280 -3.071 6.101 290 HH21 ARG 37 1HH2 ARG 37 -8.019 -2.208 9.266 291 HH22 ARG 37 2HH2 ARG 37 -8.856 -3.416 8.334 292 H TRP 38 HN TRP 38 -10.036 5.125 3.658 293 HA TRP 38 HA TRP 38 -10.225 4.179 0.880 294 HB2 TRP 38 2HB TRP 38 -10.958 6.861 2.074 295 HB3 TRP 38 1HB TRP 38 -10.934 6.525 0.345 296 HD1 TRP 38 1HD TRP 38 -12.838 4.909 -0.614 297 HE1 TRP 38 1HE TRP 38 -15.140 4.230 0.312 298 HE3 TRP 38 3HE TRP 38 -12.217 6.422 4.216 299 HZ2 TRP 38 2HZ TRP 38 -16.513 4.327 2.783 300 HZ3 TRP 38 3HZ TRP 38 -14.066 6.090 5.799 301 HH2 TRP 38 2HH TRP 38 -16.169 5.068 5.099 302 H VAL 39 HN VAL 39 -8.410 4.256 -0.244 303 HA VAL 39 HA VAL 39 -6.098 5.630 0.797 304 HB VAL 39 HB VAL 39 -6.383 4.241 -1.878 305 HG11 VAL 39 1HG1 VAL 39 -3.952 4.016 -1.745 306 HG12 VAL 39 2HG1 VAL 39 -3.951 4.883 -0.211 307 HG13 VAL 39 3HG1 VAL 39 -4.436 5.712 -1.690 308 HG21 VAL 39 3HG2 VAL 39 -5.475 3.110 0.769 309 HG22 VAL 39 1HG2 VAL 39 -5.420 2.269 -0.781 310 HG23 VAL 39 2HG2 VAL 39 -6.973 2.709 -0.070 311 H GLU 40 HN GLU 40 -6.528 7.800 0.721 312 HA GLU 40 HA GLU 40 -7.527 9.057 -1.657 313 HB2 GLU 40 2HB GLU 40 -6.468 10.192 0.932 314 HB3 GLU 40 1HB GLU 40 -7.170 11.162 -0.356 315 HG2 GLU 40 2HG GLU 40 -9.290 10.007 -0.100 316 HG3 GLU 40 1HG GLU 40 -8.594 8.974 1.144 317 H ARG 41 HN ARG 41 -4.402 8.463 -0.214 318 HA ARG 41 HA ARG 41 -3.177 9.478 -2.661 319 HB2 ARG 41 2HB ARG 41 -3.065 11.353 -1.062 320 HB3 ARG 41 1HB ARG 41 -2.234 10.314 0.089 321 HG2 ARG 41 2HG ARG 41 -0.540 11.572 -0.894 322 HG3 ARG 41 1HG ARG 41 -0.461 10.016 -1.715 323 HD2 ARG 41 2HD ARG 41 -1.750 12.535 -2.768 324 HD3 ARG 41 1HD ARG 41 -0.221 11.842 -3.305 325 HE ARG 41 HE ARG 41 -2.898 10.728 -3.805 326 HH11 ARG 41 1HH1 ARG 41 0.549 10.789 -4.470 327 HH12 ARG 41 2HH1 ARG 41 0.400 9.854 -5.932 328 HH21 ARG 41 1HH2 ARG 41 -3.074 9.477 -5.730 329 HH22 ARG 41 2HH2 ARG 41 -1.640 9.140 -6.656 330 H VAL 42 HN VAL 42 -1.552 8.255 -3.366 331 HA VAL 42 HA VAL 42 -0.571 6.097 -1.639 332 HB VAL 42 HB VAL 42 -0.254 6.460 -4.631 333 HG11 VAL 42 1HG1 VAL 42 0.470 4.141 -2.840 334 HG12 VAL 42 2HG1 VAL 42 1.590 5.190 -3.708 335 HG13 VAL 42 3HG1 VAL 42 0.518 4.115 -4.601 336 HG21 VAL 42 3HG2 VAL 42 -2.570 6.002 -4.033 337 HG22 VAL 42 1HG2 VAL 42 -2.062 4.602 -3.086 338 HG23 VAL 42 2HG2 VAL 42 -1.848 4.609 -4.836 339 H TYR 43 HN TYR 43 1.495 6.111 -0.924 340 HA TYR 43 HA TYR 43 3.239 8.276 -1.886 341 HB2 TYR 43 2HB TYR 43 3.159 6.838 0.771 342 HB3 TYR 43 1HB TYR 43 4.466 7.918 0.297 343 HD1 TYR 43 2HD TYR 43 0.905 7.728 1.199 344 HD2 TYR 43 1HD TYR 43 4.163 10.304 0.282 345 HE1 TYR 43 2HE TYR 43 -0.379 9.646 2.045 346 HE2 TYR 43 1HE TYR 43 2.888 12.229 1.129 347 HH TYR 43 HH TYR 43 0.700 12.927 1.615 348 HA PRO 44 HA PRO 44 5.098 4.459 -3.571 349 HB2 PRO 44 2HB PRO 44 6.152 6.218 -5.642 350 HB3 PRO 44 1HB PRO 44 5.033 4.863 -5.801 351 HG2 PRO 44 2HG PRO 44 4.279 7.437 -6.178 352 HG3 PRO 44 1HG PRO 44 3.178 6.199 -5.547 353 HD2 PRO 44 2HD PRO 44 4.708 8.307 -4.067 354 HD3 PRO 44 1HD PRO 44 3.030 7.764 -3.841 355 H LEU 45 HN LEU 45 6.852 3.857 -2.497 356 HA LEU 45 HA LEU 45 9.153 5.691 -2.368 357 HB2 LEU 45 2HB LEU 45 8.410 3.483 -0.444 358 HB3 LEU 45 1HB LEU 45 9.767 4.581 -0.282 359 HG LEU 45 HG LEU 45 6.848 5.354 -0.152 360 HD11 LEU 45 1HD1 LEU 45 8.955 5.212 2.000 361 HD12 LEU 45 2HD1 LEU 45 7.595 4.106 1.803 362 HD13 LEU 45 3HD1 LEU 45 7.304 5.798 2.203 363 HD21 LEU 45 3HD2 LEU 45 7.696 7.559 0.531 364 HD22 LEU 45 1HD2 LEU 45 8.174 7.143 -1.114 365 HD23 LEU 45 2HD2 LEU 45 9.342 7.016 0.203 366 H ASN 46 HN ASN 46 11.110 3.942 -1.565 367 HA ASN 46 HA ASN 46 11.144 1.928 -3.720 368 HB2 ASN 46 2HB ASN 46 12.542 3.865 -4.320 369 HB3 ASN 46 1HB ASN 46 13.459 3.663 -2.833 370 HD21 ASN 46 1HD2 ASN 46 12.743 2.319 -5.966 371 HD22 ASN 46 2HD2 ASN 46 14.109 1.257 -6.040 372 H ASN 47 HN ASN 47 12.260 -0.000 -3.293 373 HA ASN 47 HA ASN 47 12.517 -0.614 -0.465 374 HB2 ASN 47 2HB ASN 47 11.360 -2.199 -2.020 375 HB3 ASN 47 1HB ASN 47 12.893 -2.445 -2.851 376 HD21 ASN 47 1HD2 ASN 47 12.719 -4.670 -2.347 377 HD22 ASN 47 2HD2 ASN 47 13.108 -5.261 -0.769 378 H LEU 48 HN LEU 48 14.347 -0.195 0.509 379 HA LEU 48 HA LEU 48 16.665 0.620 -0.861 380 HB2 LEU 48 2HB LEU 48 15.974 0.074 1.990 381 HB3 LEU 48 1HB LEU 48 17.651 0.325 1.554 382 HG LEU 48 HG LEU 48 16.476 2.358 2.399 383 HD11 LEU 48 1HD1 LEU 48 17.509 2.496 -0.427 384 HD12 LEU 48 2HD1 LEU 48 18.485 2.543 1.043 385 HD13 LEU 48 3HD1 LEU 48 17.363 3.856 0.686 386 HD21 LEU 48 3HD2 LEU 48 15.010 2.216 -0.228 387 HD22 LEU 48 1HD2 LEU 48 14.948 3.544 0.931 388 HD23 LEU 48 2HD2 LEU 48 14.294 1.964 1.363 389 H ASP 49 HN ASP 49 15.599 -2.500 0.077 390 HA ASP 49 HA ASP 49 18.309 -3.579 -0.210 391 HB2 ASP 49 2HB ASP 49 16.195 -4.317 1.460 392 HB3 ASP 49 1HB ASP 49 16.250 -5.571 0.235 393 H GLN 50 HN GLN 50 18.938 -4.450 -2.050 394 HA GLN 50 HA GLN 50 17.094 -4.705 -4.251 395 HB2 GLN 50 2HB GLN 50 20.048 -5.001 -3.904 396 HB3 GLN 50 1HB GLN 50 19.288 -5.727 -5.312 397 HG2 GLN 50 2HG GLN 50 20.119 -3.574 -5.916 398 HG3 GLN 50 1HG GLN 50 18.362 -3.515 -5.907 399 HE21 GLN 50 1HE2 GLN 50 20.368 -3.401 -3.020 400 HE22 GLN 50 2HE2 GLN 50 19.968 -1.771 -2.598 401 H SER 51 HN SER 51 15.903 -6.270 -2.741 402 HA SER 51 HA SER 51 16.405 -8.967 -3.607 403 HB2 SER 51 2HB SER 51 16.758 -8.139 -0.720 404 HB3 SER 51 1HB SER 51 16.512 -9.809 -1.216 405 HG SER 51 HG SER 51 18.443 -8.731 -2.724 406 HA PRO 52 HA PRO 52 11.989 -8.859 -2.893 407 HB2 PRO 52 2HB PRO 52 11.373 -11.305 -3.777 408 HB3 PRO 52 1HB PRO 52 11.980 -10.064 -4.881 409 HG2 PRO 52 2HG PRO 52 13.404 -12.391 -3.674 410 HG3 PRO 52 1HG PRO 52 13.552 -11.707 -5.301 411 HD2 PRO 52 2HD PRO 52 15.286 -11.219 -3.173 412 HD3 PRO 52 1HD PRO 52 15.148 -10.229 -4.639 413 H GLU 53 HN GLU 53 14.147 -10.419 -0.993 414 HA GLU 53 HA GLU 53 12.102 -11.799 0.612 415 HB2 GLU 53 2HB GLU 53 15.109 -12.086 0.723 416 HB3 GLU 53 1HB GLU 53 13.930 -13.071 1.580 417 HG2 GLU 53 2HG GLU 53 13.142 -14.038 -0.442 418 HG3 GLU 53 1HG GLU 53 14.057 -12.892 -1.417 419 H HIS 54 HN HIS 54 13.800 -8.977 0.402 420 HA HIS 54 HA HIS 54 13.590 -8.497 3.301 421 HB2 HIS 54 2HB HIS 54 15.587 -7.160 1.466 422 HB3 HIS 54 1HB HIS 54 15.491 -7.012 3.211 423 HD1 HIS 54 1HD HIS 54 18.106 -7.821 1.815 424 HD2 HIS 54 2HD HIS 54 15.333 -10.539 3.319 425 HE1 HIS 54 1HE HIS 54 19.391 -9.939 2.254 426 HE2 HIS 54 2HE HIS 54 17.643 -11.631 2.901 427 H PHE 55 HN PHE 55 12.450 -6.704 3.846 428 HA PHE 55 HA PHE 55 11.582 -4.933 1.672 429 HB2 PHE 55 2HB PHE 55 9.770 -6.485 2.000 430 HB3 PHE 55 1HB PHE 55 9.845 -6.282 3.747 431 HD1 PHE 55 1HD PHE 55 9.240 -4.313 0.634 432 HD2 PHE 55 2HD PHE 55 8.386 -4.828 4.772 433 HE1 PHE 55 1HE PHE 55 7.534 -2.542 0.502 434 HE2 PHE 55 2HE PHE 55 6.686 -3.057 4.646 435 HZ PHE 55 HZ PHE 55 6.256 -1.914 2.510 436 H SER 56 HN SER 56 12.542 -3.058 2.209 437 HA SER 56 HA SER 56 11.694 -1.745 4.628 438 HB2 SER 56 2HB SER 56 14.644 -2.240 4.212 439 HB3 SER 56 1HB SER 56 13.928 -1.272 5.494 440 HG SER 56 HG SER 56 12.766 -3.657 5.537 441 H MET 57 HN MET 57 11.493 0.348 4.275 442 HA MET 57 HA MET 57 12.879 1.578 2.002 443 HB2 MET 57 2HB MET 57 10.463 2.491 3.582 444 HB3 MET 57 1HB MET 57 11.250 3.468 2.354 445 HG2 MET 57 2HG MET 57 9.397 2.519 1.297 446 HG3 MET 57 1HG MET 57 10.774 1.569 0.744 447 HE1 MET 57 3HE MET 57 7.660 0.150 3.844 448 HE2 MET 57 1HE MET 57 7.601 1.696 2.997 449 HE3 MET 57 2HE MET 57 8.846 1.402 4.212 450 H ASP 58 HN ASP 58 13.270 4.103 2.623 451 HA ASP 58 HA ASP 58 15.038 3.934 4.938 452 HB2 ASP 58 2HB ASP 58 15.697 5.018 2.733 453 HB3 ASP 58 1HB ASP 58 14.585 6.322 3.136 454 HA PRO 59 HA PRO 59 12.172 5.729 7.800 455 HB2 PRO 59 2HB PRO 59 14.565 7.032 8.981 456 HB3 PRO 59 1HB PRO 59 13.363 5.982 9.740 457 HG2 PRO 59 2HG PRO 59 15.795 5.060 9.186 458 HG3 PRO 59 1HG PRO 59 14.361 4.042 8.947 459 HD2 PRO 59 2HD PRO 59 15.988 5.531 6.920 460 HD3 PRO 59 1HD PRO 59 15.276 3.906 6.822 461 H ARG 60 HN ARG 60 14.538 7.717 6.119 462 HA ARG 60 HA ARG 60 13.392 10.197 6.985 463 HB2 ARG 60 2HB ARG 60 15.759 10.016 6.380 464 HB3 ARG 60 1HB ARG 60 15.311 9.617 4.728 465 HG2 ARG 60 2HG ARG 60 14.492 11.783 4.319 466 HG3 ARG 60 1HG ARG 60 14.518 12.198 6.033 467 HD2 ARG 60 2HD ARG 60 16.377 13.237 4.840 468 HD3 ARG 60 1HD ARG 60 16.953 12.081 6.039 469 HE ARG 60 HE ARG 60 16.944 11.671 3.117 470 HH11 ARG 60 1HH1 ARG 60 18.066 10.826 6.309 471 HH12 ARG 60 2HH1 ARG 60 19.310 9.750 5.738 472 HH21 ARG 60 1HH2 ARG 60 18.591 10.292 2.344 473 HH22 ARG 60 2HH2 ARG 60 19.620 9.458 3.469 474 H GLU 61 HN GLU 61 13.128 8.206 4.053 475 HA GLU 61 HA GLU 61 11.491 10.113 2.694 476 HB2 GLU 61 2HB GLU 61 11.159 8.443 1.007 477 HB3 GLU 61 1HB GLU 61 12.833 8.347 1.526 478 HG2 GLU 61 2HG GLU 61 12.256 6.417 2.934 479 HG3 GLU 61 1HG GLU 61 10.603 6.495 2.329 480 H GLN 62 HN GLN 62 10.900 7.337 4.776 481 HA GLN 62 HA GLN 62 8.090 7.266 4.441 482 HB2 GLN 62 2HB GLN 62 9.845 6.332 6.709 483 HB3 GLN 62 1HB GLN 62 8.115 6.034 6.633 484 HG2 GLN 62 2HG GLN 62 8.464 4.830 4.497 485 HG3 GLN 62 1HG GLN 62 10.203 5.041 4.710 486 HE21 GLN 62 1HE2 GLN 62 7.348 3.440 5.870 487 HE22 GLN 62 2HE2 GLN 62 8.153 2.259 6.835 488 H LEU 63 HN LEU 63 10.178 8.876 6.814 489 HA LEU 63 HA LEU 63 8.162 9.921 8.446 490 HB2 LEU 63 2HB LEU 63 10.533 9.905 9.061 491 HB3 LEU 63 1HB LEU 63 10.873 11.092 7.815 492 HG LEU 63 HG LEU 63 9.476 12.736 9.002 493 HD11 LEU 63 1HD1 LEU 63 7.926 11.212 10.086 494 HD12 LEU 63 2HD1 LEU 63 8.705 12.256 11.274 495 HD13 LEU 63 3HD1 LEU 63 9.228 10.582 11.096 496 HD21 LEU 63 3HD2 LEU 63 11.608 11.459 10.708 497 HD22 LEU 63 1HD2 LEU 63 10.979 13.095 10.900 498 HD23 LEU 63 2HD2 LEU 63 11.867 12.658 9.440 499 H THR 64 HN THR 64 9.724 11.296 5.578 500 HA THR 64 HA THR 64 8.366 13.775 5.617 501 HB THR 64 HB THR 64 9.384 12.329 3.159 502 HG1 THR 64 1HG THR 64 11.095 12.372 4.585 503 HG21 THR 64 3HG2 THR 64 9.754 14.572 2.290 504 HG22 THR 64 1HG2 THR 64 9.158 15.273 3.794 505 HG23 THR 64 2HG2 THR 64 8.063 14.370 2.748 506 H ALA 65 HN ALA 65 7.530 10.613 4.315 507 HA ALA 65 HA ALA 65 5.258 11.422 2.831 508 HB1 ALA 65 1HB ALA 65 4.639 9.072 2.836 509 HB2 ALA 65 2HB ALA 65 5.812 8.744 4.110 510 HB3 ALA 65 3HB ALA 65 6.365 9.245 2.512 511 H VAL 66 HN VAL 66 5.670 10.245 6.159 512 HA VAL 66 HA VAL 66 2.924 10.375 6.855 513 HB VAL 66 HB VAL 66 5.326 10.574 8.685 514 HG11 VAL 66 1HG1 VAL 66 3.293 11.316 9.781 515 HG12 VAL 66 2HG1 VAL 66 3.790 9.748 10.416 516 HG13 VAL 66 3HG1 VAL 66 2.457 9.851 9.268 517 HG21 VAL 66 3HG2 VAL 66 3.733 8.154 7.854 518 HG22 VAL 66 1HG2 VAL 66 5.056 8.179 9.017 519 HG23 VAL 66 2HG2 VAL 66 5.369 8.545 7.321 520 H LYS 67 HN LYS 67 5.579 12.678 7.010 521 HA LYS 67 HA LYS 67 4.290 14.696 8.462 522 HB2 LYS 67 2HB LYS 67 6.571 14.617 6.533 523 HB3 LYS 67 1HB LYS 67 5.965 16.170 7.073 524 HG2 LYS 67 2HG LYS 67 6.305 15.401 9.425 525 HG3 LYS 67 1HG LYS 67 7.081 13.958 8.773 526 HD2 LYS 67 2HD LYS 67 8.822 15.272 7.773 527 HD3 LYS 67 1HD LYS 67 7.995 16.774 8.199 528 HE2 LYS 67 2HE LYS 67 8.241 16.160 10.596 529 HE3 LYS 67 1HE LYS 67 9.190 14.759 10.102 530 HZ1 LYS 67 3HZ LYS 67 10.876 16.161 9.231 531 HZ2 LYS 67 1HZ LYS 67 10.513 16.738 10.782 532 HZ3 LYS 67 2HZ LYS 67 9.922 17.553 9.418 533 H ASP 68 HN ASP 68 4.290 13.957 5.014 534 HA ASP 68 HA ASP 68 2.712 16.224 4.252 535 HB2 ASP 68 2HB ASP 68 4.145 14.921 2.668 536 HB3 ASP 68 1HB ASP 68 3.031 13.572 2.821 537 H MET 69 HN MET 69 2.084 12.859 4.989 538 HA MET 69 HA MET 69 -0.625 12.679 4.412 539 HB2 MET 69 2HB MET 69 1.134 10.906 5.151 540 HB3 MET 69 1HB MET 69 0.613 11.307 6.777 541 HG2 MET 69 2HG MET 69 -1.655 10.651 6.240 542 HG3 MET 69 1HG MET 69 -1.167 10.286 4.583 543 HE1 MET 69 3HE MET 69 0.703 8.379 4.013 544 HE2 MET 69 1HE MET 69 1.440 7.371 5.258 545 HE3 MET 69 2HE MET 69 1.774 9.105 5.214 546 H ARG 70 HN ARG 70 0.969 13.523 7.469 547 HA ARG 70 HA ARG 70 -1.436 13.890 8.925 548 HB2 ARG 70 2HB ARG 70 0.805 13.442 9.947 549 HB3 ARG 70 1HB ARG 70 1.271 15.085 9.535 550 HG2 ARG 70 2HG ARG 70 -0.514 15.957 10.958 551 HG3 ARG 70 1HG ARG 70 -0.987 14.309 11.375 552 HD2 ARG 70 2HD ARG 70 1.261 13.945 12.335 553 HD3 ARG 70 1HD ARG 70 1.663 15.623 11.973 554 HE ARG 70 HE ARG 70 -0.703 15.504 13.524 555 HH11 ARG 70 1HH1 ARG 70 2.778 15.162 13.779 556 HH12 ARG 70 2HH1 ARG 70 2.819 15.541 15.478 557 HH21 ARG 70 1HH2 ARG 70 -0.652 15.992 15.748 558 HH22 ARG 70 2HH2 ARG 70 0.860 15.991 16.603 559 H LYS 71 HN LYS 71 0.492 16.000 6.919 560 HA LYS 71 HA LYS 71 -0.479 18.485 7.804 561 HB2 LYS 71 2HB LYS 71 1.456 18.180 6.269 562 HB3 LYS 71 1HB LYS 71 0.338 17.723 4.993 563 HG2 LYS 71 2HG LYS 71 -0.739 19.974 5.255 564 HG3 LYS 71 1HG LYS 71 0.587 20.401 6.339 565 HD2 LYS 71 2HD LYS 71 0.858 19.555 3.454 566 HD3 LYS 71 1HD LYS 71 0.995 21.203 4.065 567 HE2 LYS 71 2HE LYS 71 2.911 20.484 5.454 568 HE3 LYS 71 1HE LYS 71 2.806 18.883 4.725 569 HZ1 LYS 71 3HZ LYS 71 4.478 20.164 3.609 570 HZ2 LYS 71 1HZ LYS 71 3.390 21.436 3.320 571 HZ3 LYS 71 2HZ LYS 71 3.175 19.942 2.544 572 H ASN 72 HN ASN 72 -1.716 16.185 5.442 573 HA ASN 72 HA ASN 72 -3.919 17.908 4.705 574 HB2 ASN 72 2HB ASN 72 -3.219 15.068 3.950 575 HB3 ASN 72 1HB ASN 72 -4.646 15.905 3.354 576 HD21 ASN 72 1HD2 ASN 72 -1.180 15.657 3.183 577 HD22 ASN 72 2HD2 ASN 72 -0.990 16.664 1.792 578 H GLY 73 HN GLY 73 -3.272 15.524 7.055 579 HA2 GLY 73 2HA GLY 73 -4.713 15.261 8.940 580 HA3 GLY 73 1HA GLY 73 -6.082 15.635 7.904 581 H TRP 74 HN TRP 74 -3.874 13.527 6.453 582 HA TRP 74 HA TRP 74 -5.772 11.358 6.608 583 HB2 TRP 74 2HB TRP 74 -3.092 11.579 5.226 584 HB3 TRP 74 1HB TRP 74 -4.156 10.184 5.109 585 HD1 TRP 74 1HD TRP 74 -6.912 11.652 4.588 586 HE1 TRP 74 1HE TRP 74 -7.327 12.829 2.337 587 HE3 TRP 74 3HE TRP 74 -2.056 12.339 3.150 588 HZ2 TRP 74 2HZ TRP 74 -5.781 13.916 0.232 589 HZ3 TRP 74 3HZ TRP 74 -1.609 13.453 1.000 590 HH2 TRP 74 2HH TRP 74 -3.436 14.223 -0.428 591 H VAL 75 HN VAL 75 -5.017 9.152 7.077 592 HA VAL 75 HA VAL 75 -2.986 9.100 9.210 593 HB VAL 75 HB VAL 75 -4.248 7.286 10.294 594 HG11 VAL 75 1HG1 VAL 75 -6.053 8.644 11.217 595 HG12 VAL 75 2HG1 VAL 75 -5.897 9.775 9.875 596 HG13 VAL 75 3HG1 VAL 75 -4.578 9.594 11.032 597 HG21 VAL 75 3HG2 VAL 75 -5.430 6.400 8.353 598 HG22 VAL 75 1HG2 VAL 75 -6.383 7.880 8.243 599 HG23 VAL 75 2HG2 VAL 75 -6.565 6.816 9.636 600 H MET 76 HN MET 76 -1.901 7.022 9.449 601 HA MET 76 HA MET 76 -1.109 5.989 6.908 602 HB2 MET 76 2HB MET 76 0.495 6.167 8.745 603 HB3 MET 76 1HB MET 76 -0.453 5.043 9.710 604 HG2 MET 76 2HG MET 76 -0.015 3.278 8.071 605 HG3 MET 76 1HG MET 76 0.953 4.407 7.126 606 HE1 MET 76 3HE MET 76 3.920 5.144 9.606 607 HE2 MET 76 1HE MET 76 2.411 6.045 9.458 608 HE3 MET 76 2HE MET 76 3.246 5.481 8.012 609 H LEU 77 HN LEU 77 -2.286 4.602 5.777 610 HA LEU 77 HA LEU 77 -4.210 2.878 7.099 611 HB2 LEU 77 2HB LEU 77 -3.537 3.159 4.168 612 HB3 LEU 77 1HB LEU 77 -4.893 2.264 4.826 613 HG LEU 77 HG LEU 77 -4.496 5.251 4.980 614 HD11 LEU 77 1HD1 LEU 77 -6.438 3.560 3.418 615 HD12 LEU 77 2HD1 LEU 77 -5.105 4.511 2.761 616 HD13 LEU 77 3HD1 LEU 77 -6.473 5.320 3.525 617 HD21 LEU 77 3HD2 LEU 77 -6.718 5.320 5.970 618 HD22 LEU 77 1HD2 LEU 77 -5.613 4.386 6.977 619 HD23 LEU 77 2HD2 LEU 77 -6.792 3.558 5.959 620 H GLY 78 HN GLY 78 -1.096 2.683 5.585 621 HA2 GLY 78 2HA GLY 78 -0.087 0.484 6.710 622 HA3 GLY 78 1HA GLY 78 -1.121 -0.216 5.470 623 H ASN 79 HN ASN 79 0.664 -1.094 4.376 624 HA ASN 79 HA ASN 79 1.976 0.804 2.612 625 HB2 ASN 79 2HB ASN 79 4.216 -0.202 2.984 626 HB3 ASN 79 1HB ASN 79 3.612 0.650 4.395 627 HD21 ASN 79 1HD2 ASN 79 3.129 -0.494 6.258 628 HD22 ASN 79 2HD2 ASN 79 3.557 -2.159 6.454 629 H PHE 80 HN PHE 80 3.350 -0.496 0.964 630 HA PHE 80 HA PHE 80 2.184 -3.106 0.419 631 HB2 PHE 80 2HB PHE 80 1.373 -2.528 -1.781 632 HB3 PHE 80 1HB PHE 80 0.631 -1.453 -0.604 633 HD1 PHE 80 2HD PHE 80 1.381 0.907 -0.445 634 HD2 PHE 80 1HD PHE 80 2.763 -1.696 -3.517 635 HE1 PHE 80 2HE PHE 80 2.132 2.851 -1.753 636 HE2 PHE 80 1HE PHE 80 3.507 0.245 -4.832 637 HZ PHE 80 HZ PHE 80 3.193 2.525 -3.950 638 H HIS 81 HN HIS 81 3.265 -4.306 -1.203 639 HA HIS 81 HA HIS 81 5.441 -3.057 -2.627 640 HB2 HIS 81 2HB HIS 81 7.158 -4.634 -2.036 641 HB3 HIS 81 1HB HIS 81 6.552 -3.890 -0.567 642 HD1 HIS 81 1HD HIS 81 7.131 -7.125 -2.194 643 HD2 HIS 81 2HD HIS 81 4.978 -5.675 1.069 644 HE1 HIS 81 1HE HIS 81 6.602 -9.133 -0.769 645 HE2 HIS 81 2HE HIS 81 5.575 -8.190 1.325 646 H SER 82 HN SER 82 5.871 -4.050 -4.579 647 HA SER 82 HA SER 82 3.790 -5.994 -5.326 648 HB2 SER 82 2HB SER 82 3.447 -3.711 -6.210 649 HB3 SER 82 1HB SER 82 5.020 -3.793 -7.000 650 HG SER 82 HG SER 82 3.044 -4.350 -8.259 651 H HIS 83 HN HIS 83 4.306 -7.728 -6.572 652 HA HIS 83 HA HIS 83 7.177 -8.239 -6.949 653 HB2 HIS 83 2HB HIS 83 4.788 -9.987 -6.490 654 HB3 HIS 83 1HB HIS 83 6.172 -10.650 -7.352 655 HD1 HIS 83 1HD HIS 83 4.887 -10.319 -4.031 656 HD2 HIS 83 2HD HIS 83 8.659 -10.228 -5.748 657 HE1 HIS 83 1HE HIS 83 6.492 -10.745 -2.143 658 HE2 HIS 83 2HE HIS 83 8.762 -10.366 -3.173 659 HA PRO 84 HA PRO 84 6.597 -8.030 -11.340 660 HB2 PRO 84 2HB PRO 84 8.913 -9.163 -12.133 661 HB3 PRO 84 1HB PRO 84 8.845 -7.552 -11.410 662 HG2 PRO 84 2HG PRO 84 9.637 -10.156 -10.181 663 HG3 PRO 84 1HG PRO 84 10.330 -8.542 -9.943 664 HD2 PRO 84 2HD PRO 84 8.562 -9.759 -8.207 665 HD3 PRO 84 1HD PRO 84 8.811 -8.008 -8.322 666 H ALA 85 HN ALA 85 7.688 -11.130 -9.988 667 HA ALA 85 HA ALA 85 5.734 -12.532 -11.592 668 HB1 ALA 85 1HB ALA 85 8.673 -13.146 -11.892 669 HB2 ALA 85 2HB ALA 85 7.634 -12.430 -13.123 670 HB3 ALA 85 3HB ALA 85 7.351 -14.085 -12.584 671 H THR 86 HN THR 86 5.114 -12.608 -9.272 672 HA THR 86 HA THR 86 5.839 -15.176 -8.189 673 HB THR 86 HB THR 86 5.946 -13.365 -5.956 674 HG1 THR 86 1HG THR 86 7.926 -12.928 -7.967 675 HG21 THR 86 3HG2 THR 86 6.833 -15.646 -5.962 676 HG22 THR 86 1HG2 THR 86 8.091 -14.483 -5.542 677 HG23 THR 86 2HG2 THR 86 8.040 -15.180 -7.162 678 HA PRO 87 HA PRO 87 1.579 -15.092 -7.174 679 HB2 PRO 87 2HB PRO 87 2.103 -16.548 -4.670 680 HB3 PRO 87 1HB PRO 87 1.220 -17.069 -6.109 681 HG2 PRO 87 2HG PRO 87 3.617 -18.095 -5.504 682 HG3 PRO 87 1HG PRO 87 3.136 -17.793 -7.187 683 HD2 PRO 87 2HD PRO 87 4.889 -16.143 -5.392 684 HD3 PRO 87 1HD PRO 87 5.131 -16.585 -7.096 685 H ALA 88 HN ALA 88 -0.033 -14.222 -5.793 686 HA ALA 88 HA ALA 88 1.005 -12.150 -4.014 687 HB1 ALA 88 1HB ALA 88 -1.792 -12.568 -5.063 688 HB2 ALA 88 2HB ALA 88 -0.587 -11.477 -5.746 689 HB3 ALA 88 3HB ALA 88 -1.229 -11.181 -4.130 690 H ARG 89 HN ARG 89 1.580 -13.535 -2.298 691 HA ARG 89 HA ARG 89 -0.624 -13.967 -0.460 692 HB2 ARG 89 2HB ARG 89 -0.009 -16.248 0.094 693 HB3 ARG 89 1HB ARG 89 -0.354 -16.152 -1.625 694 HG2 ARG 89 2HG ARG 89 1.950 -16.242 -2.183 695 HG3 ARG 89 1HG ARG 89 2.426 -16.024 -0.499 696 HD2 ARG 89 2HD ARG 89 2.712 -18.322 -0.993 697 HD3 ARG 89 1HD ARG 89 1.267 -18.192 0.007 698 HE ARG 89 HE ARG 89 0.910 -18.285 -2.893 699 HH11 ARG 89 1HH1 ARG 89 0.578 -19.801 0.229 700 HH12 ARG 89 2HH1 ARG 89 -0.256 -21.202 -0.381 701 HH21 ARG 89 1HH2 ARG 89 -0.187 -20.120 -3.724 702 HH22 ARG 89 2HH2 ARG 89 -0.704 -21.376 -2.635 703 HA PRO 90 HA PRO 90 2.416 -12.458 2.384 704 HB2 PRO 90 2HB PRO 90 1.614 -13.631 4.709 705 HB3 PRO 90 1HB PRO 90 0.767 -12.266 3.971 706 HG2 PRO 90 2HG PRO 90 0.109 -15.181 3.877 707 HG3 PRO 90 1HG PRO 90 -0.978 -13.793 4.068 708 HD2 PRO 90 2HD PRO 90 -0.647 -15.094 1.711 709 HD3 PRO 90 1HD PRO 90 -1.024 -13.363 1.811 710 H SER 91 HN SER 91 4.460 -13.155 2.267 711 HA SER 91 HA SER 91 5.129 -15.944 2.323 712 HB2 SER 91 2HB SER 91 7.196 -13.800 2.563 713 HB3 SER 91 1HB SER 91 7.219 -15.276 1.600 714 HG SER 91 HG SER 91 6.322 -12.761 0.967 715 H ALA 92 HN ALA 92 6.962 -16.698 3.769 716 HA ALA 92 HA ALA 92 6.241 -16.459 6.482 717 HB1 ALA 92 1HB ALA 92 7.395 -18.423 5.597 718 HB2 ALA 92 2HB ALA 92 8.284 -17.719 6.949 719 HB3 ALA 92 3HB ALA 92 8.834 -17.447 5.296 720 H GLU 93 HN GLU 93 8.821 -14.968 4.573 721 HA GLU 93 HA GLU 93 10.001 -13.535 6.704 722 HB2 GLU 93 2HB GLU 93 10.849 -12.031 4.782 723 HB3 GLU 93 1HB GLU 93 11.369 -13.708 4.827 724 HG2 GLU 93 2HG GLU 93 8.966 -13.003 3.220 725 HG3 GLU 93 1HG GLU 93 10.559 -12.577 2.597 726 H ASP 94 HN ASP 94 7.483 -12.654 4.357 727 HA ASP 94 HA ASP 94 7.088 -9.999 5.135 728 HB2 ASP 94 2HB ASP 94 5.218 -12.050 3.957 729 HB3 ASP 94 1HB ASP 94 4.668 -10.428 4.350 730 H LYS 95 HN LYS 95 5.720 -12.996 6.391 731 HA LYS 95 HA LYS 95 3.842 -11.803 8.123 732 HB2 LYS 95 2HB LYS 95 3.926 -14.212 7.289 733 HB3 LYS 95 1HB LYS 95 5.126 -14.500 8.539 734 HG2 LYS 95 2HG LYS 95 2.727 -13.200 9.551 735 HG3 LYS 95 1HG LYS 95 2.409 -14.769 8.810 736 HD2 LYS 95 2HD LYS 95 4.534 -14.306 10.897 737 HD3 LYS 95 1HD LYS 95 2.889 -14.824 11.275 738 HE2 LYS 95 2HE LYS 95 3.252 -16.770 9.733 739 HE3 LYS 95 1HE LYS 95 4.948 -16.291 9.635 740 HZ1 LYS 95 3HZ LYS 95 3.509 -16.996 12.139 741 HZ2 LYS 95 1HZ LYS 95 5.156 -16.598 12.010 742 HZ3 LYS 95 2HZ LYS 95 4.568 -18.021 11.297 743 H ARG 96 HN ARG 96 7.243 -12.577 8.502 744 HA ARG 96 HA ARG 96 7.289 -12.127 11.338 745 HB2 ARG 96 2HB ARG 96 9.595 -12.051 9.385 746 HB3 ARG 96 1HB ARG 96 9.716 -12.169 11.133 747 HG2 ARG 96 2HG ARG 96 8.518 -14.356 10.985 748 HG3 ARG 96 1HG ARG 96 8.660 -14.240 9.226 749 HD2 ARG 96 2HD ARG 96 11.170 -13.882 9.675 750 HD3 ARG 96 1HD ARG 96 10.827 -14.516 11.282 751 HE ARG 96 HE ARG 96 10.467 -15.997 8.763 752 HH11 ARG 96 1HH1 ARG 96 10.885 -15.968 12.239 753 HH12 ARG 96 2HH1 ARG 96 11.259 -17.666 12.324 754 HH21 ARG 96 1HH2 ARG 96 10.935 -18.221 8.886 755 HH22 ARG 96 2HH2 ARG 96 11.251 -18.947 10.424 756 H LEU 97 HN LEU 97 7.815 -10.206 8.453 757 HA LEU 97 HA LEU 97 8.921 -7.966 9.881 758 HB2 LEU 97 2HB LEU 97 8.049 -8.281 7.009 759 HB3 LEU 97 1HB LEU 97 8.853 -6.866 7.656 760 HG LEU 97 HG LEU 97 10.023 -9.641 7.500 761 HD11 LEU 97 1HD1 LEU 97 10.624 -7.135 5.941 762 HD12 LEU 97 2HD1 LEU 97 9.858 -8.598 5.322 763 HD13 LEU 97 3HD1 LEU 97 11.539 -8.640 5.853 764 HD21 LEU 97 3HD2 LEU 97 11.274 -7.055 8.423 765 HD22 LEU 97 1HD2 LEU 97 12.100 -8.602 8.246 766 HD23 LEU 97 2HD2 LEU 97 10.833 -8.414 9.456 767 H ALA 98 HN ALA 98 5.959 -9.041 10.030 768 HA ALA 98 HA ALA 98 4.410 -6.726 9.378 769 HB1 ALA 98 1HB ALA 98 2.570 -7.899 10.476 770 HB2 ALA 98 2HB ALA 98 3.696 -9.108 11.091 771 HB3 ALA 98 3HB ALA 98 3.415 -8.968 9.356 772 H PHE 99 HN PHE 99 5.165 -4.981 10.443 773 HA PHE 99 HA PHE 99 5.515 -5.067 13.336 774 HB2 PHE 99 2HB PHE 99 5.906 -2.789 11.381 775 HB3 PHE 99 1HB PHE 99 6.316 -2.747 13.092 776 HD1 PHE 99 2HD PHE 99 7.935 -4.693 13.864 777 HD2 PHE 99 1HD PHE 99 7.574 -3.270 9.870 778 HE1 PHE 99 2HE PHE 99 10.171 -5.584 13.351 779 HE2 PHE 99 1HE PHE 99 9.808 -4.161 9.348 780 HZ PHE 99 HZ PHE 99 11.110 -5.320 11.089 781 H ASP 100 HN ASP 100 3.172 -4.218 11.006 782 HA ASP 100 HA ASP 100 1.697 -2.519 12.889 783 HB2 ASP 100 2HB ASP 100 1.076 -3.139 9.989 784 HB3 ASP 100 1HB ASP 100 0.293 -1.924 10.992 785 HA PRO 101 HA PRO 101 -0.940 -5.955 13.711 786 HB2 PRO 101 2HB PRO 101 -2.802 -4.602 15.194 787 HB3 PRO 101 1HB PRO 101 -1.213 -5.089 15.783 788 HG2 PRO 101 2HG PRO 101 -2.215 -2.427 15.205 789 HG3 PRO 101 1HG PRO 101 -0.721 -2.899 16.024 790 HD2 PRO 101 2HD PRO 101 -1.111 -2.022 13.277 791 HD3 PRO 101 1HD PRO 101 0.405 -2.258 14.167 792 H SER 102 HN SER 102 -2.814 -3.020 12.870 793 HA SER 102 HA SER 102 -4.674 -4.772 11.412 794 HB2 SER 102 2HB SER 102 -5.379 -2.289 12.991 795 HB3 SER 102 1HB SER 102 -6.510 -3.334 12.129 796 HG SER 102 HG SER 102 -6.589 -4.096 14.160 797 H LEU 103 HN LEU 103 -2.318 -2.982 10.643 798 HA LEU 103 HA LEU 103 -3.678 -1.129 8.850 799 HB2 LEU 103 2HB LEU 103 -0.737 -1.581 9.360 800 HB3 LEU 103 1HB LEU 103 -1.383 -0.400 8.235 801 HG LEU 103 HG LEU 103 -1.662 -0.409 11.237 802 HD11 LEU 103 1HD1 LEU 103 0.451 0.439 10.418 803 HD12 LEU 103 2HD1 LEU 103 -0.532 1.756 11.056 804 HD13 LEU 103 3HD1 LEU 103 -0.387 1.527 9.313 805 HD21 LEU 103 3HD2 LEU 103 -2.960 1.441 9.241 806 HD22 LEU 103 1HD2 LEU 103 -2.981 1.631 10.994 807 HD23 LEU 103 2HD2 LEU 103 -3.788 0.252 10.246 808 H SER 104 HN SER 104 -3.422 -1.217 6.588 809 HA SER 104 HA SER 104 -3.660 -3.945 5.719 810 HB2 SER 104 2HB SER 104 -4.340 -2.847 3.546 811 HB3 SER 104 1HB SER 104 -5.321 -2.418 4.947 812 HG SER 104 HG SER 104 -3.105 -0.848 4.182 813 H TYR 105 HN TYR 105 -1.881 -5.060 5.264 814 HA TYR 105 HA TYR 105 0.298 -3.858 3.760 815 HB2 TYR 105 2HB TYR 105 -0.173 -6.661 4.798 816 HB3 TYR 105 1HB TYR 105 1.216 -6.224 3.812 817 HD1 TYR 105 1HD TYR 105 2.886 -4.613 4.698 818 HD2 TYR 105 2HD TYR 105 -0.232 -6.178 7.132 819 HE1 TYR 105 1HE TYR 105 4.129 -3.940 6.705 820 HE2 TYR 105 2HE TYR 105 1.003 -5.505 9.151 821 HH TYR 105 HH TYR 105 3.424 -3.326 9.174 822 H LEU 106 HN LEU 106 0.101 -3.642 1.611 823 HA LEU 106 HA LEU 106 -1.717 -5.462 0.200 824 HB2 LEU 106 2HB LEU 106 -0.678 -2.725 -0.384 825 HB3 LEU 106 1HB LEU 106 -1.184 -3.741 -1.717 826 HG LEU 106 HG LEU 106 -3.430 -3.938 -0.651 827 HD11 LEU 106 1HD1 LEU 106 -2.825 -3.497 1.648 828 HD12 LEU 106 2HD1 LEU 106 -4.029 -2.333 1.098 829 HD13 LEU 106 3HD1 LEU 106 -2.336 -1.857 1.230 830 HD21 LEU 106 3HD2 LEU 106 -4.146 -1.653 -1.220 831 HD22 LEU 106 1HD2 LEU 106 -3.062 -2.343 -2.427 832 HD23 LEU 106 2HD2 LEU 106 -2.454 -1.155 -1.276 833 H ILE 107 HN ILE 107 -1.037 -6.962 -1.122 834 HA ILE 107 HA ILE 107 1.732 -6.832 -2.136 835 HB ILE 107 HB ILE 107 0.121 -9.322 -1.519 836 HG12 ILE 107 2HG1 ILE 107 2.607 -8.221 -0.185 837 HG13 ILE 107 1HG1 ILE 107 0.983 -8.157 0.494 838 HG21 ILE 107 1HG2 ILE 107 1.565 -9.603 -3.472 839 HG22 ILE 107 2HG2 ILE 107 2.149 -10.555 -2.107 840 HG23 ILE 107 3HG2 ILE 107 2.948 -9.042 -2.535 841 HD11 ILE 107 3HD1 ILE 107 2.562 -10.648 -0.101 842 HD12 ILE 107 1HD1 ILE 107 0.926 -10.602 0.551 843 HD13 ILE 107 2HD1 ILE 107 2.267 -9.949 1.493 844 H ILE 108 HN ILE 108 1.867 -6.643 -4.275 845 HA ILE 108 HA ILE 108 -0.547 -7.216 -5.857 846 HB ILE 108 HB ILE 108 1.740 -5.404 -6.651 847 HG12 ILE 108 2HG1 ILE 108 -0.936 -4.620 -5.468 848 HG13 ILE 108 1HG1 ILE 108 0.591 -4.582 -4.596 849 HG21 ILE 108 1HG2 ILE 108 -1.068 -5.693 -7.715 850 HG22 ILE 108 2HG2 ILE 108 0.402 -6.270 -8.498 851 HG23 ILE 108 3HG2 ILE 108 0.138 -4.540 -8.284 852 HD11 ILE 108 3HD1 ILE 108 1.441 -2.910 -6.157 853 HD12 ILE 108 1HD1 ILE 108 -0.032 -2.369 -5.353 854 HD13 ILE 108 2HD1 ILE 108 -0.096 -2.940 -7.020 855 H SER 109 HN SER 109 -0.442 -8.542 -7.592 856 HA SER 109 HA SER 109 2.133 -9.860 -8.117 857 HB2 SER 109 2HB SER 109 0.501 -11.424 -7.303 858 HB3 SER 109 1HB SER 109 -0.719 -10.823 -8.425 859 HG SER 109 HG SER 109 -0.015 -12.469 -9.553 860 H LEU 110 HN LEU 110 3.090 -9.066 -9.888 861 HA LEU 110 HA LEU 110 1.438 -8.227 -12.153 862 HB2 LEU 110 2HB LEU 110 4.233 -7.673 -11.294 863 HB3 LEU 110 1HB LEU 110 3.896 -7.654 -13.014 864 HG LEU 110 HG LEU 110 3.765 -5.404 -12.147 865 HD11 LEU 110 1HD1 LEU 110 1.484 -4.817 -12.828 866 HD12 LEU 110 2HD1 LEU 110 1.030 -6.518 -12.746 867 HD13 LEU 110 3HD1 LEU 110 2.223 -5.982 -13.928 868 HD21 LEU 110 3HD2 LEU 110 2.097 -4.767 -10.470 869 HD22 LEU 110 1HD2 LEU 110 3.285 -5.898 -9.819 870 HD23 LEU 110 2HD2 LEU 110 1.672 -6.465 -10.256 871 H ALA 111 HN ALA 111 2.273 -11.065 -11.191 872 HA ALA 111 HA ALA 111 3.735 -12.275 -13.277 873 HB1 ALA 111 1HB ALA 111 1.581 -13.443 -11.509 874 HB2 ALA 111 2HB ALA 111 3.313 -13.421 -11.171 875 HB3 ALA 111 3HB ALA 111 2.689 -14.373 -12.518 876 H GLU 112 HN GLU 112 0.440 -11.280 -12.954 877 HA GLU 112 HA GLU 112 -0.147 -12.178 -15.688 878 HB2 GLU 112 2HB GLU 112 -1.671 -12.746 -13.630 879 HB3 GLU 112 1HB GLU 112 -2.205 -11.078 -13.788 880 HG2 GLU 112 2HG GLU 112 -3.710 -12.605 -14.928 881 HG3 GLU 112 1HG GLU 112 -2.929 -11.509 -16.068 882 HA PRO 113 HA PRO 113 1.283 -7.889 -15.828 883 HB2 PRO 113 2HB PRO 113 1.354 -8.327 -18.743 884 HB3 PRO 113 1HB PRO 113 2.645 -7.822 -17.651 885 HG2 PRO 113 2HG PRO 113 2.592 -10.285 -18.693 886 HG3 PRO 113 1HG PRO 113 3.157 -9.992 -17.035 887 HD2 PRO 113 2HD PRO 113 0.522 -11.050 -17.985 888 HD3 PRO 113 1HD PRO 113 1.511 -11.568 -16.604 889 H GLN 114 HN GLN 114 -1.314 -9.077 -17.833 890 HA GLN 114 HA GLN 114 -2.177 -6.326 -18.304 891 HB2 GLN 114 2HB GLN 114 -3.274 -8.911 -19.416 892 HB3 GLN 114 1HB GLN 114 -3.789 -7.299 -19.876 893 HG2 GLN 114 2HG GLN 114 -1.098 -8.549 -20.344 894 HG3 GLN 114 1HG GLN 114 -2.314 -8.145 -21.554 895 HE21 GLN 114 1HE2 GLN 114 0.474 -7.299 -21.298 896 HE22 GLN 114 2HE2 GLN 114 0.447 -5.571 -21.262 897 H LYS 115 HN LYS 115 -2.649 -8.798 -16.113 898 HA LYS 115 HA LYS 115 -5.154 -7.611 -15.168 899 HB2 LYS 115 2HB LYS 115 -4.708 -10.574 -15.593 900 HB3 LYS 115 1HB LYS 115 -6.056 -9.888 -14.708 901 HG2 LYS 115 2HG LYS 115 -5.465 -9.399 -17.620 902 HG3 LYS 115 1HG LYS 115 -6.663 -10.534 -16.995 903 HD2 LYS 115 2HD LYS 115 -7.937 -8.746 -16.021 904 HD3 LYS 115 1HD LYS 115 -6.683 -7.572 -16.423 905 HE2 LYS 115 2HE LYS 115 -8.522 -7.417 -17.997 906 HE3 LYS 115 1HE LYS 115 -7.065 -7.993 -18.808 907 HZ1 LYS 115 3HZ LYS 115 -7.948 -10.269 -18.589 908 HZ2 LYS 115 1HZ LYS 115 -8.939 -9.265 -19.531 909 HZ3 LYS 115 2HZ LYS 115 -9.380 -9.637 -17.937 910 HA PRO 116 HA PRO 116 -1.853 -8.461 -11.952 911 HB2 PRO 116 2HB PRO 116 -2.222 -5.681 -11.145 912 HB3 PRO 116 1HB PRO 116 -0.756 -6.497 -11.694 913 HG2 PRO 116 2HG PRO 116 -2.018 -4.617 -13.177 914 HG3 PRO 116 1HG PRO 116 -1.125 -5.967 -13.897 915 HD2 PRO 116 2HD PRO 116 -4.077 -5.653 -13.486 916 HD3 PRO 116 1HD PRO 116 -3.199 -6.276 -14.901 917 H VAL 117 HN VAL 117 -2.496 -9.350 -10.091 918 HA VAL 117 HA VAL 117 -5.030 -8.453 -8.922 919 HB VAL 117 HB VAL 117 -3.436 -10.952 -8.308 920 HG11 VAL 117 1HG1 VAL 117 -6.222 -10.152 -7.470 921 HG12 VAL 117 2HG1 VAL 117 -4.800 -10.218 -6.430 922 HG13 VAL 117 3HG1 VAL 117 -5.445 -11.700 -7.134 923 HG21 VAL 117 3HG2 VAL 117 -4.296 -11.013 -10.581 924 HG22 VAL 117 1HG2 VAL 117 -5.909 -10.590 -10.008 925 HG23 VAL 117 2HG2 VAL 117 -5.195 -12.142 -9.565 926 H CYS 118 HN CYS 118 -4.981 -7.178 -7.207 927 HA CYS 118 HA CYS 118 -2.637 -7.282 -5.431 928 HB2 CYS 118 2HB CYS 118 -3.254 -4.953 -4.779 929 HB3 CYS 118 1HB CYS 118 -2.808 -5.108 -6.475 930 HG CYS 118 HG CYS 118 -6.079 -5.178 -5.536 931 H LYS 119 HN LYS 119 -2.969 -7.891 -3.371 932 HA LYS 119 HA LYS 119 -5.710 -7.701 -2.310 933 HB2 LYS 119 2HB LYS 119 -3.776 -9.982 -1.882 934 HB3 LYS 119 1HB LYS 119 -5.260 -9.764 -0.980 935 HG2 LYS 119 2HG LYS 119 -6.547 -9.992 -3.061 936 HG3 LYS 119 1HG LYS 119 -5.040 -10.267 -3.940 937 HD2 LYS 119 2HD LYS 119 -4.602 -12.248 -2.596 938 HD3 LYS 119 1HD LYS 119 -6.068 -11.958 -1.660 939 HE2 LYS 119 2HE LYS 119 -5.969 -12.513 -4.624 940 HE3 LYS 119 1HE LYS 119 -6.355 -13.700 -3.381 941 HZ1 LYS 119 3HZ LYS 119 -8.204 -12.069 -2.737 942 HZ2 LYS 119 1HZ LYS 119 -8.409 -12.991 -4.144 943 HZ3 LYS 119 2HZ LYS 119 -7.942 -11.367 -4.260 944 H SER 120 HN SER 120 -5.737 -7.757 0.090 945 HA SER 120 HA SER 120 -3.311 -6.542 1.218 946 HB2 SER 120 2HB SER 120 -5.164 -4.890 0.918 947 HB3 SER 120 1HB SER 120 -6.165 -5.874 1.985 948 HG SER 120 HG SER 120 -3.667 -4.727 2.687 949 H PHE 121 HN PHE 121 -2.700 -7.244 3.246 950 HA PHE 121 HA PHE 121 -4.363 -9.361 4.432 951 HB2 PHE 121 2HB PHE 121 -1.353 -9.439 4.128 952 HB3 PHE 121 1HB PHE 121 -2.344 -10.662 4.915 953 HD1 PHE 121 2HD PHE 121 -3.951 -11.999 3.545 954 HD2 PHE 121 1HD PHE 121 -1.051 -9.424 1.790 955 HE1 PHE 121 2HE PHE 121 -4.221 -13.166 1.397 956 HE2 PHE 121 1HE PHE 121 -1.317 -10.587 -0.364 957 HZ PHE 121 HZ PHE 121 -2.902 -12.460 -0.561 958 H LEU 122 HN LEU 122 -4.763 -9.075 6.518 959 HA LEU 122 HA LEU 122 -3.137 -7.182 8.049 960 HB2 LEU 122 2HB LEU 122 -5.660 -8.657 8.836 961 HB3 LEU 122 1HB LEU 122 -4.877 -7.398 9.768 962 HG LEU 122 HG LEU 122 -6.203 -7.039 7.078 963 HD11 LEU 122 1HD1 LEU 122 -7.842 -5.723 8.342 964 HD12 LEU 122 2HD1 LEU 122 -7.033 -6.174 9.844 965 HD13 LEU 122 3HD1 LEU 122 -7.808 -7.410 8.853 966 HD21 LEU 122 3HD2 LEU 122 -4.312 -5.531 7.333 967 HD22 LEU 122 1HD2 LEU 122 -4.916 -5.015 8.908 968 HD23 LEU 122 2HD2 LEU 122 -5.834 -4.644 7.448 969 H ILE 123 HN ILE 123 -1.362 -8.083 8.896 970 HA ILE 123 HA ILE 123 -1.407 -10.937 9.506 971 HB ILE 123 HB ILE 123 0.973 -9.079 9.406 972 HG12 ILE 123 2HG1 ILE 123 -0.047 -11.037 7.330 973 HG13 ILE 123 1HG1 ILE 123 -0.163 -9.284 7.215 974 HG21 ILE 123 1HG2 ILE 123 2.280 -11.139 9.310 975 HG22 ILE 123 2HG2 ILE 123 0.802 -12.091 9.450 976 HG23 ILE 123 3HG2 ILE 123 1.319 -11.063 10.787 977 HD11 ILE 123 3HD1 ILE 123 2.386 -10.885 7.279 978 HD12 ILE 123 1HD1 ILE 123 2.275 -9.127 7.177 979 HD13 ILE 123 2HD1 ILE 123 1.661 -10.128 5.862 980 H LYS 124 HN LYS 124 -1.899 -11.492 11.488 981 HA LYS 124 HA LYS 124 -1.182 -9.731 13.715 982 HB2 LYS 124 2HB LYS 124 -3.057 -12.094 13.531 983 HB3 LYS 124 1HB LYS 124 -2.689 -11.255 15.029 984 HG2 LYS 124 2HG LYS 124 -3.967 -9.994 12.611 985 HG3 LYS 124 1HG LYS 124 -4.829 -10.566 14.041 986 HD2 LYS 124 2HD LYS 124 -3.423 -8.993 15.398 987 HD3 LYS 124 1HD LYS 124 -2.814 -8.331 13.881 988 HE2 LYS 124 2HE LYS 124 -5.699 -8.391 14.760 989 HE3 LYS 124 1HE LYS 124 -4.645 -6.979 14.773 990 HZ1 LYS 124 3HZ LYS 124 -5.414 -8.499 12.336 991 HZ2 LYS 124 1HZ LYS 124 -4.488 -7.076 12.390 992 HZ3 LYS 124 2HZ LYS 124 -6.125 -7.044 12.837 993 H LYS 125 HN LYS 125 -0.830 -11.277 15.791 994 HA LYS 125 HA LYS 125 1.628 -12.615 15.485 995 HB2 LYS 125 2HB LYS 125 0.741 -11.691 17.621 996 HB3 LYS 125 1HB LYS 125 -0.449 -12.975 17.653 997 HG2 LYS 125 2HG LYS 125 1.444 -14.611 17.668 998 HG3 LYS 125 1HG LYS 125 2.532 -13.243 17.902 999 HD2 LYS 125 2HD LYS 125 1.406 -12.660 19.966 1000 HD3 LYS 125 1HD LYS 125 0.221 -13.942 19.709 1001 HE2 LYS 125 2HE LYS 125 2.085 -15.590 19.779 1002 HE3 LYS 125 1HE LYS 125 3.175 -14.274 20.212 1003 HZ1 LYS 125 3HZ LYS 125 1.757 -13.858 22.166 1004 HZ2 LYS 125 1HZ LYS 125 2.469 -15.398 22.188 1005 HZ3 LYS 125 2HZ LYS 125 0.836 -15.227 21.772 1006 H ASP 126 HN ASP 126 -1.620 -13.835 16.033 1007 HA ASP 126 HA ASP 126 -0.924 -16.577 15.818 1008 HB2 ASP 126 2HB ASP 126 -2.865 -15.859 17.108 1009 HB3 ASP 126 1HB ASP 126 -3.633 -15.238 15.651 1010 H GLY 127 HN GLY 127 -3.106 -14.716 13.671 1011 HA2 GLY 127 2HA GLY 127 -1.992 -16.239 11.416 1012 HA3 GLY 127 1HA GLY 127 -3.724 -16.265 11.703 1013 H VAL 128 HN VAL 128 -3.792 -15.436 9.486 1014 HA VAL 128 HA VAL 128 -3.401 -12.521 9.434 1015 HB VAL 128 HB VAL 128 -1.719 -13.643 8.040 1016 HG11 VAL 128 1HG1 VAL 128 -2.342 -14.868 6.031 1017 HG12 VAL 128 2HG1 VAL 128 -4.046 -14.709 6.453 1018 HG13 VAL 128 3HG1 VAL 128 -2.970 -15.658 7.478 1019 HG21 VAL 128 3HG2 VAL 128 -2.476 -11.433 7.383 1020 HG22 VAL 128 1HG2 VAL 128 -3.788 -12.144 6.439 1021 HG23 VAL 128 2HG2 VAL 128 -2.112 -12.407 5.959 1022 H ASP 129 HN ASP 129 -5.039 -11.307 8.596 1023 HA ASP 129 HA ASP 129 -7.396 -12.745 7.553 1024 HB2 ASP 129 2HB ASP 129 -7.844 -11.674 9.732 1025 HB3 ASP 129 1HB ASP 129 -7.338 -10.124 9.075 1026 H GLU 130 HN GLU 130 -7.787 -12.328 5.455 1027 HA GLU 130 HA GLU 130 -6.194 -10.276 4.209 1028 HB2 GLU 130 2HB GLU 130 -7.104 -11.238 2.080 1029 HB3 GLU 130 1HB GLU 130 -6.139 -12.328 3.049 1030 HG2 GLU 130 2HG GLU 130 -9.142 -12.312 3.108 1031 HG3 GLU 130 1HG GLU 130 -8.210 -13.282 1.970 1032 H GLU 131 HN GLU 131 -6.822 -8.366 3.737 1033 HA GLU 131 HA GLU 131 -9.656 -7.657 3.769 1034 HB2 GLU 131 2HB GLU 131 -8.048 -6.282 5.077 1035 HB3 GLU 131 1HB GLU 131 -7.189 -5.904 3.594 1036 HG2 GLU 131 2HG GLU 131 -8.544 -4.041 4.126 1037 HG3 GLU 131 1HG GLU 131 -9.275 -4.846 2.740 1038 H GLU 132 HN GLU 132 -10.728 -7.174 1.919 1039 HA GLU 132 HA GLU 132 -9.259 -7.717 -0.538 1040 HB2 GLU 132 2HB GLU 132 -11.425 -8.895 0.074 1041 HB3 GLU 132 1HB GLU 132 -12.240 -7.372 -0.258 1042 HG2 GLU 132 2HG GLU 132 -11.710 -7.445 -2.525 1043 HG3 GLU 132 1HG GLU 132 -10.467 -8.674 -2.288 1044 H ILE 133 HN ILE 133 -9.522 -6.408 -2.422 1045 HA ILE 133 HA ILE 133 -9.383 -3.590 -1.698 1046 HB ILE 133 HB ILE 133 -8.666 -4.951 -4.299 1047 HG12 ILE 133 2HG1 ILE 133 -7.248 -5.703 -2.422 1048 HG13 ILE 133 1HG1 ILE 133 -6.339 -4.755 -3.592 1049 HG21 ILE 133 1HG2 ILE 133 -9.190 -2.602 -4.605 1050 HG22 ILE 133 2HG2 ILE 133 -7.462 -2.880 -4.815 1051 HG23 ILE 133 3HG2 ILE 133 -8.064 -2.163 -3.321 1052 HD11 ILE 133 3HD1 ILE 133 -6.459 -2.816 -2.129 1053 HD12 ILE 133 1HD1 ILE 133 -5.722 -4.193 -1.309 1054 HD13 ILE 133 2HD1 ILE 133 -7.393 -3.749 -0.962 1055 H ILE 134 HN ILE 134 -10.971 -2.233 -2.084 1056 HA ILE 134 HA ILE 134 -13.087 -2.990 -3.972 1057 HB ILE 134 HB ILE 134 -13.082 -0.711 -1.980 1058 HG12 ILE 134 2HG1 ILE 134 -12.934 -2.872 -0.815 1059 HG13 ILE 134 1HG1 ILE 134 -14.502 -2.120 -0.560 1060 HG21 ILE 134 1HG2 ILE 134 -14.610 -0.370 -3.827 1061 HG22 ILE 134 2HG2 ILE 134 -15.512 -0.711 -2.350 1062 HG23 ILE 134 3HG2 ILE 134 -15.315 -1.968 -3.569 1063 HD11 ILE 134 3HD1 ILE 134 -14.667 -4.527 -0.933 1064 HD12 ILE 134 1HD1 ILE 134 -13.939 -4.321 -2.526 1065 HD13 ILE 134 2HD1 ILE 134 -15.512 -3.605 -2.177 1066 H LEU 135 HN LEU 135 -13.045 -2.101 -5.935 1067 HA LEU 135 HA LEU 135 -11.319 0.217 -6.389 1068 HB2 LEU 135 2HB LEU 135 -12.636 -1.693 -8.320 1069 HB3 LEU 135 1HB LEU 135 -11.624 -0.340 -8.791 1070 HG LEU 135 HG LEU 135 -10.751 -2.764 -7.223 1071 HD11 LEU 135 1HD1 LEU 135 -10.043 -1.812 -9.994 1072 HD12 LEU 135 2HD1 LEU 135 -11.101 -3.171 -9.607 1073 HD13 LEU 135 3HD1 LEU 135 -9.388 -3.236 -9.186 1074 HD21 LEU 135 3HD2 LEU 135 -9.589 -0.782 -6.435 1075 HD22 LEU 135 1HD2 LEU 135 -9.180 -0.343 -8.095 1076 HD23 LEU 135 2HD2 LEU 135 -8.503 -1.803 -7.376 1077 H LYS 136 HN LYS 136 -12.036 2.107 -7.336 1078 HA LYS 136 HA LYS 136 -14.824 2.241 -8.176 1079 HB2 LYS 136 2HB LYS 136 -14.457 3.098 -5.731 1080 HB3 LYS 136 1HB LYS 136 -13.753 4.503 -6.521 1081 HG2 LYS 136 2HG LYS 136 -15.852 4.728 -7.837 1082 HG3 LYS 136 1HG LYS 136 -16.544 3.441 -6.850 1083 HD2 LYS 136 2HD LYS 136 -16.162 4.810 -4.843 1084 HD3 LYS 136 1HD LYS 136 -15.534 6.106 -5.868 1085 HE2 LYS 136 2HE LYS 136 -18.326 4.981 -5.806 1086 HE3 LYS 136 1HE LYS 136 -17.809 6.620 -5.413 1087 HZ1 LYS 136 3HZ LYS 136 -17.655 5.375 -8.110 1088 HZ2 LYS 136 1HZ LYS 136 -17.212 6.960 -7.717 1089 HZ3 LYS 136 2HZ LYS 136 -18.833 6.487 -7.613 1090 H GLU 137 HN GLU 137 -15.260 4.224 -9.457 1091 HA GLU 137 HA GLU 137 -13.231 4.526 -11.430 1092 HB2 GLU 137 2HB GLU 137 -15.777 6.101 -11.053 1093 HB3 GLU 137 1HB GLU 137 -14.835 5.991 -12.518 1094 HG2 GLU 137 2HG GLU 137 -16.654 4.585 -12.885 1095 HG3 GLU 137 1HG GLU 137 -15.339 3.490 -12.461 1096 H GLU 138 HN GLU 138 -14.301 6.322 -8.745 1097 HA GLU 138 HA GLU 138 -12.169 8.259 -8.971 1098 HB2 GLU 138 2HB GLU 138 -15.067 8.921 -9.317 1099 HB3 GLU 138 1HB GLU 138 -14.029 10.064 -8.484 1100 HG2 GLU 138 2HG GLU 138 -13.415 8.991 -11.220 1101 HG3 GLU 138 1HG GLU 138 -14.360 10.454 -10.944 1102 H LEU 139 HN LEU 139 -12.791 9.993 -7.045 1103 HA LEU 139 HA LEU 139 -12.676 8.346 -4.669 1104 HB2 LEU 139 2HB LEU 139 -12.350 11.313 -5.100 1105 HB3 LEU 139 1HB LEU 139 -12.206 10.532 -3.538 1106 HG LEU 139 HG LEU 139 -10.438 9.900 -5.903 1107 HD11 LEU 139 1HD1 LEU 139 -10.101 12.205 -5.183 1108 HD12 LEU 139 2HD1 LEU 139 -8.724 11.197 -4.735 1109 HD13 LEU 139 3HD1 LEU 139 -9.909 11.664 -3.515 1110 HD21 LEU 139 3HD2 LEU 139 -9.037 8.819 -4.212 1111 HD22 LEU 139 1HD2 LEU 139 -10.640 8.089 -4.283 1112 HD23 LEU 139 2HD2 LEU 139 -10.236 9.200 -2.975 1113 H GLU 140 HN GLU 140 -13.750 9.392 -2.676 1114 HA GLU 140 HA GLU 140 -15.497 10.145 -1.480 1115 HB2 GLU 140 2HB GLU 140 -16.108 11.412 -4.095 1116 HB3 GLU 140 1HB GLU 140 -17.385 11.357 -2.885 1117 HG2 GLU 140 2HG GLU 140 -14.639 12.523 -2.469 1118 HG3 GLU 140 1HG GLU 140 -16.104 13.445 -2.808 1119 H HIS 141 HN HIS 141 -17.693 9.807 -0.984 1120 HA HIS 141 HA HIS 141 -19.524 8.323 -2.448 1121 HB2 HIS 141 2HB HIS 141 -17.895 6.455 -2.221 1122 HB3 HIS 141 1HB HIS 141 -18.036 6.575 -0.469 1123 HD1 HIS 141 1HD HIS 141 -19.536 4.852 0.450 1124 HD2 HIS 141 2HD HIS 141 -20.732 6.067 -3.350 1125 HE1 HIS 141 1HE HIS 141 -21.597 3.508 -0.082 1126 HE2 HIS 141 2HE HIS 141 -22.361 4.321 -2.342 1127 H HIS 142 HN HIS 142 -18.223 8.932 0.796 1128 HA HIS 142 HA HIS 142 -20.920 9.661 1.649 1129 HB2 HIS 142 2HB HIS 142 -20.422 7.216 2.237 1130 HB3 HIS 142 1HB HIS 142 -19.250 7.850 3.387 1131 HD1 HIS 142 1HD HIS 142 -20.141 8.682 5.614 1132 HD2 HIS 142 2HD HIS 142 -23.150 7.926 2.841 1133 HE1 HIS 142 1HE HIS 142 -22.302 8.852 6.887 1134 HE2 HIS 142 2HE HIS 142 -24.101 8.634 5.138 1135 H HIS 143 HN HIS 143 -18.185 10.966 1.164 1136 HA HIS 143 HA HIS 143 -18.065 12.297 3.792 1137 HB2 HIS 143 2HB HIS 143 -15.935 12.192 1.640 1138 HB3 HIS 143 1HB HIS 143 -15.817 13.125 3.126 1139 HD1 HIS 143 1HD HIS 143 -15.109 11.894 5.237 1140 HD2 HIS 143 2HD HIS 143 -15.716 9.377 1.977 1141 HE1 HIS 143 1HE HIS 143 -14.208 9.651 5.930 1142 HE2 HIS 143 2HE HIS 143 -14.406 8.210 3.879 1143 H HIS 144 HN HIS 144 -18.022 14.604 3.800 1144 HA HIS 144 HA HIS 144 -18.691 16.679 3.120 1145 HB2 HIS 144 2HB HIS 144 -17.885 15.639 0.387 1146 HB3 HIS 144 1HB HIS 144 -18.286 17.316 0.739 1147 HD1 HIS 144 1HD HIS 144 -15.543 14.891 0.800 1148 HD2 HIS 144 2HD HIS 144 -16.363 18.624 2.455 1149 HE1 HIS 144 1HE HIS 144 -13.326 15.797 1.577 1150 HE2 HIS 144 2HE HIS 144 -13.819 18.156 2.317 1151 H HIS 145 HN HIS 145 -20.065 17.563 0.871 1152 HA HIS 145 HA HIS 145 -22.023 17.550 -0.288 1153 HB2 HIS 145 2HB HIS 145 -22.202 14.632 0.506 1154 HB3 HIS 145 1HB HIS 145 -23.262 15.435 -0.646 1155 HD1 HIS 145 1HD HIS 145 -19.834 13.992 -0.280 1156 HD2 HIS 145 2HD HIS 145 -22.104 15.954 -3.163 1157 HE1 HIS 145 1HE HIS 145 -18.596 13.682 -2.444 1158 HE2 HIS 145 2HE HIS 145 -20.060 14.743 -4.197 1159 H HIS 146 HN HIS 146 -24.502 16.846 0.133 1160 HA HIS 146 HA HIS 146 -25.065 17.890 2.794 1161 HB2 HIS 146 2HB HIS 146 -26.168 18.879 0.788 1162 HB3 HIS 146 1HB HIS 146 -26.963 17.336 0.501 1163 HD1 HIS 146 1HD HIS 146 -29.281 17.310 1.315 1164 HD2 HIS 146 2HD HIS 146 -26.875 19.804 3.615 1165 HE1 HIS 146 1HE HIS 146 -30.805 18.314 3.049 1166 HE2 HIS 146 2HE HIS 146 -29.293 19.678 4.538 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -13.585 -2.388 5.076 2 H2 MET 1 H2 MET 1 -12.237 -3.196 5.710 3 H3 MET 1 H3 MET 1 -13.626 -4.068 5.303 4 HA MET 1 HA MET 1 -11.867 -4.351 3.656 5 HB2 MET 1 2HB MET 1 -13.244 -3.928 1.697 6 HB3 MET 1 1HB MET 1 -14.268 -4.482 3.015 7 HG2 MET 1 2HG MET 1 -14.895 -2.151 3.480 8 HG3 MET 1 1HG MET 1 -13.924 -1.630 2.111 9 HE1 MET 1 2HE MET 1 -17.521 -1.017 0.823 10 HE2 MET 1 3HE MET 1 -15.938 -0.318 1.171 11 HE3 MET 1 1HE MET 1 -16.991 -0.838 2.494 12 H ILE 2 HN ILE 2 -10.705 -3.339 1.835 13 HA ILE 2 HA ILE 2 -10.125 -0.508 2.412 14 HB ILE 2 HB ILE 2 -8.154 -1.893 2.666 15 HG12 ILE 2 2HG1 ILE 2 -8.011 -0.309 0.094 16 HG13 ILE 2 1HG1 ILE 2 -7.895 0.366 1.717 17 HG21 ILE 2 1HG2 ILE 2 -7.204 -3.179 0.827 18 HG22 ILE 2 2HG2 ILE 2 -8.594 -2.775 -0.180 19 HG23 ILE 2 3HG2 ILE 2 -8.811 -3.767 1.261 20 HD11 ILE 2 3HD1 ILE 2 -5.716 0.121 0.638 21 HD12 ILE 2 1HD1 ILE 2 -5.978 -1.620 0.520 22 HD13 ILE 2 2HD1 ILE 2 -5.846 -0.852 2.103 23 H THR 3 HN THR 3 -10.349 1.008 0.845 24 HA THR 3 HA THR 3 -11.346 0.058 -1.755 25 HB THR 3 HB THR 3 -12.387 2.477 -0.273 26 HG1 THR 3 1HG THR 3 -12.970 -0.173 0.000 27 HG21 THR 3 3HG2 THR 3 -12.600 2.561 -2.720 28 HG22 THR 3 1HG2 THR 3 -14.172 2.413 -1.937 29 HG23 THR 3 2HG2 THR 3 -13.429 1.005 -2.697 30 H LEU 4 HN LEU 4 -10.487 0.975 -3.506 31 HA LEU 4 HA LEU 4 -9.351 3.632 -3.377 32 HB2 LEU 4 2HB LEU 4 -7.256 2.824 -4.570 33 HB3 LEU 4 1HB LEU 4 -7.361 2.545 -2.847 34 HG LEU 4 HG LEU 4 -8.195 0.172 -3.524 35 HD11 LEU 4 1HD1 LEU 4 -7.279 -0.637 -5.631 36 HD12 LEU 4 2HD1 LEU 4 -6.760 0.997 -6.041 37 HD13 LEU 4 3HD1 LEU 4 -8.479 0.627 -5.900 38 HD21 LEU 4 3HD2 LEU 4 -6.109 0.595 -2.371 39 HD22 LEU 4 1HD2 LEU 4 -5.333 1.043 -3.890 40 HD23 LEU 4 2HD2 LEU 4 -5.870 -0.616 -3.632 41 H THR 5 HN THR 5 -8.690 4.368 -5.617 42 HA THR 5 HA THR 5 -10.842 3.541 -7.411 43 HB THR 5 HB THR 5 -10.428 5.628 -8.595 44 HG1 THR 5 1HG THR 5 -8.755 7.043 -7.492 45 HG21 THR 5 3HG2 THR 5 -11.816 5.714 -6.573 46 HG22 THR 5 1HG2 THR 5 -10.923 7.217 -6.806 47 HG23 THR 5 2HG2 THR 5 -10.378 6.048 -5.602 48 H LYS 6 HN LYS 6 -10.187 3.801 -9.862 49 HA LYS 6 HA LYS 6 -8.189 1.893 -10.472 50 HB2 LYS 6 2HB LYS 6 -9.651 3.883 -12.207 51 HB3 LYS 6 1HB LYS 6 -8.528 2.695 -12.838 52 HG2 LYS 6 2HG LYS 6 -10.051 0.990 -11.588 53 HG3 LYS 6 1HG LYS 6 -11.232 2.299 -11.646 54 HD2 LYS 6 2HD LYS 6 -9.812 1.104 -14.025 55 HD3 LYS 6 1HD LYS 6 -11.473 0.762 -13.544 56 HE2 LYS 6 2HE LYS 6 -10.471 3.519 -14.233 57 HE3 LYS 6 1HE LYS 6 -11.195 2.428 -15.412 58 HZ1 LYS 6 3HZ LYS 6 -12.832 3.960 -14.568 59 HZ2 LYS 6 1HZ LYS 6 -12.521 3.491 -12.968 60 HZ3 LYS 6 2HZ LYS 6 -13.216 2.393 -14.057 61 H LYS 7 HN LYS 7 -8.285 5.394 -10.504 62 HA LYS 7 HA LYS 7 -5.809 6.032 -11.565 63 HB2 LYS 7 2HB LYS 7 -7.783 7.488 -10.748 64 HB3 LYS 7 1HB LYS 7 -7.034 7.396 -9.166 65 HG2 LYS 7 2HG LYS 7 -5.568 8.422 -11.571 66 HG3 LYS 7 1HG LYS 7 -6.586 9.447 -10.566 67 HD2 LYS 7 2HD LYS 7 -5.178 8.570 -8.604 68 HD3 LYS 7 1HD LYS 7 -4.044 8.035 -9.846 69 HE2 LYS 7 2HE LYS 7 -5.002 10.854 -9.359 70 HE3 LYS 7 1HE LYS 7 -3.393 10.216 -9.025 71 HZ1 LYS 7 3HZ LYS 7 -4.638 10.502 -11.711 72 HZ2 LYS 7 1HZ LYS 7 -3.102 9.844 -11.409 73 HZ3 LYS 7 2HZ LYS 7 -3.412 11.478 -11.067 74 H GLN 8 HN GLN 8 -6.665 5.094 -8.253 75 HA GLN 8 HA GLN 8 -4.045 5.378 -7.179 76 HB2 GLN 8 2HB GLN 8 -6.222 3.527 -6.177 77 HB3 GLN 8 1HB GLN 8 -4.878 4.187 -5.255 78 HG2 GLN 8 2HG GLN 8 -7.169 5.755 -6.409 79 HG3 GLN 8 1HG GLN 8 -6.961 5.309 -4.719 80 HE21 GLN 8 1HE2 GLN 8 -5.493 6.392 -3.476 81 HE22 GLN 8 2HE2 GLN 8 -4.771 7.880 -3.970 82 H MET 9 HN MET 9 -5.834 2.664 -8.587 83 HA MET 9 HA MET 9 -3.895 0.670 -8.221 84 HB2 MET 9 2HB MET 9 -6.223 0.269 -9.025 85 HB3 MET 9 1HB MET 9 -5.788 0.995 -10.566 86 HG2 MET 9 2HG MET 9 -5.719 -1.356 -10.840 87 HG3 MET 9 1HG MET 9 -4.055 -0.780 -10.825 88 HE1 MET 9 3HE MET 9 -6.082 -2.849 -7.233 89 HE2 MET 9 1HE MET 9 -6.891 -2.527 -8.769 90 HE3 MET 9 2HE MET 9 -6.430 -1.188 -7.717 91 H GLU 10 HN GLU 10 -4.425 2.941 -10.891 92 HA GLU 10 HA GLU 10 -2.302 2.207 -12.524 93 HB2 GLU 10 2HB GLU 10 -3.853 4.741 -12.086 94 HB3 GLU 10 1HB GLU 10 -2.564 4.670 -13.260 95 HG2 GLU 10 2HG GLU 10 -5.066 3.016 -13.227 96 HG3 GLU 10 1HG GLU 10 -4.659 4.304 -14.357 97 H GLU 11 HN GLU 11 -2.446 4.556 -9.865 98 HA GLU 11 HA GLU 11 0.144 5.566 -10.013 99 HB2 GLU 11 2HB GLU 11 -1.891 5.213 -7.860 100 HB3 GLU 11 1HB GLU 11 -0.279 5.706 -7.405 101 HG2 GLU 11 2HG GLU 11 -2.078 7.147 -9.334 102 HG3 GLU 11 1HG GLU 11 -1.779 7.605 -7.658 103 H MET 12 HN MET 12 -1.089 2.757 -8.223 104 HA MET 12 HA MET 12 1.434 2.009 -7.158 105 HB2 MET 12 2HB MET 12 -1.100 0.418 -7.589 106 HB3 MET 12 1HB MET 12 0.308 -0.207 -6.746 107 HG2 MET 12 2HG MET 12 0.091 1.600 -5.093 108 HG3 MET 12 1HG MET 12 -1.358 2.160 -5.926 109 HE1 MET 12 3HE MET 12 -3.779 -0.894 -5.423 110 HE2 MET 12 1HE MET 12 -2.670 -0.651 -6.772 111 HE3 MET 12 2HE MET 12 -3.589 0.710 -6.129 112 H LEU 13 HN LEU 13 -0.379 1.017 -10.021 113 HA LEU 13 HA LEU 13 1.305 -1.048 -10.875 114 HB2 LEU 13 2HB LEU 13 -0.524 0.795 -12.399 115 HB3 LEU 13 1HB LEU 13 0.329 -0.529 -13.160 116 HG LEU 13 HG LEU 13 -1.737 -0.764 -10.973 117 HD11 LEU 13 1HD1 LEU 13 -2.685 -0.240 -13.152 118 HD12 LEU 13 2HD1 LEU 13 -3.052 -1.903 -12.695 119 HD13 LEU 13 3HD1 LEU 13 -1.785 -1.573 -13.878 120 HD21 LEU 13 3HD2 LEU 13 -0.177 -2.906 -12.407 121 HD22 LEU 13 1HD2 LEU 13 -1.499 -3.176 -11.271 122 HD23 LEU 13 2HD2 LEU 13 0.007 -2.445 -10.715 123 H ALA 14 HN ALA 14 1.331 2.409 -11.718 124 HA ALA 14 HA ALA 14 3.445 2.304 -13.558 125 HB1 ALA 14 1HB ALA 14 1.996 4.251 -13.336 126 HB2 ALA 14 2HB ALA 14 3.691 4.709 -13.155 127 HB3 ALA 14 3HB ALA 14 2.656 4.575 -11.733 128 H HIS 15 HN HIS 15 3.442 2.842 -10.059 129 HA HIS 15 HA HIS 15 6.236 3.134 -9.783 130 HB2 HIS 15 2HB HIS 15 4.620 3.765 -8.018 131 HB3 HIS 15 1HB HIS 15 4.276 2.062 -7.744 132 HD1 HIS 15 1HD HIS 15 7.482 4.130 -7.895 133 HD2 HIS 15 2HD HIS 15 5.628 1.210 -5.583 134 HE1 HIS 15 1HE HIS 15 9.103 3.595 -6.047 135 HE2 HIS 15 2HE HIS 15 7.839 2.037 -4.523 136 H ALA 16 HN ALA 16 4.125 0.318 -9.615 137 HA ALA 16 HA ALA 16 6.024 -1.560 -8.783 138 HB1 ALA 16 1HB ALA 16 3.609 -2.010 -10.531 139 HB2 ALA 16 2HB ALA 16 3.615 -1.983 -8.769 140 HB3 ALA 16 3HB ALA 16 4.488 -3.248 -9.635 141 H ARG 17 HN ARG 17 4.941 -0.757 -12.079 142 HA ARG 17 HA ARG 17 6.618 -2.602 -13.392 143 HB2 ARG 17 2HB ARG 17 5.491 -0.009 -14.462 144 HB3 ARG 17 1HB ARG 17 6.148 -1.320 -15.432 145 HG2 ARG 17 2HG ARG 17 4.366 -2.798 -14.511 146 HG3 ARG 17 1HG ARG 17 3.663 -1.375 -13.738 147 HD2 ARG 17 2HD ARG 17 2.537 -1.804 -15.833 148 HD3 ARG 17 1HD ARG 17 3.463 -0.306 -15.951 149 HE ARG 17 HE ARG 17 4.955 -2.568 -16.855 150 HH11 ARG 17 1HH1 ARG 17 2.507 -0.231 -17.833 151 HH12 ARG 17 2HH1 ARG 17 2.853 -0.426 -19.529 152 HH21 ARG 17 1HH2 ARG 17 5.366 -2.808 -19.059 153 HH22 ARG 17 2HH2 ARG 17 4.454 -1.901 -20.223 154 H GLN 18 HN GLN 18 7.091 0.729 -12.407 155 HA GLN 18 HA GLN 18 9.448 1.341 -13.742 156 HB2 GLN 18 2HB GLN 18 8.176 2.995 -12.505 157 HB3 GLN 18 1HB GLN 18 8.505 2.169 -10.993 158 HG2 GLN 18 2HG GLN 18 10.869 2.698 -11.203 159 HG3 GLN 18 1HG GLN 18 10.561 3.492 -12.746 160 HE21 GLN 18 1HE2 GLN 18 9.588 5.487 -12.781 161 HE22 GLN 18 2HE2 GLN 18 9.405 6.466 -11.362 162 H ALA 19 HN ALA 19 8.939 -0.414 -10.740 163 HA ALA 19 HA ALA 19 11.824 -0.634 -10.338 164 HB1 ALA 19 1HB ALA 19 11.280 -1.416 -8.102 165 HB2 ALA 19 2HB ALA 19 9.563 -1.383 -8.499 166 HB3 ALA 19 3HB ALA 19 10.486 0.119 -8.450 167 H LEU 20 HN LEU 20 9.598 -2.399 -11.975 168 HA LEU 20 HA LEU 20 10.231 -5.032 -11.107 169 HB2 LEU 20 2HB LEU 20 9.091 -3.966 -13.685 170 HB3 LEU 20 1HB LEU 20 9.352 -5.673 -13.399 171 HG LEU 20 HG LEU 20 7.505 -3.879 -11.822 172 HD11 LEU 20 1HD1 LEU 20 6.660 -4.372 -14.046 173 HD12 LEU 20 2HD1 LEU 20 5.737 -5.254 -12.830 174 HD13 LEU 20 3HD1 LEU 20 6.949 -6.093 -13.795 175 HD21 LEU 20 3HD2 LEU 20 8.524 -5.634 -10.440 176 HD22 LEU 20 1HD2 LEU 20 7.982 -6.850 -11.595 177 HD23 LEU 20 2HD2 LEU 20 6.800 -5.909 -10.686 178 HA PRO 21 HA PRO 21 10.649 -6.802 -11.450 179 HB2 PRO 21 2HB PRO 21 12.208 -8.958 -11.715 180 HB3 PRO 21 1HB PRO 21 11.241 -8.354 -13.064 181 HG2 PRO 21 2HG PRO 21 14.156 -8.262 -12.663 182 HG3 PRO 21 1HG PRO 21 13.226 -8.125 -14.163 183 HD2 PRO 21 2HD PRO 21 14.331 -6.009 -12.503 184 HD3 PRO 21 1HD PRO 21 13.559 -5.880 -14.097 185 H ASN 22 HN ASN 22 12.701 -4.942 -10.261 186 HA ASN 22 HA ASN 22 14.123 -6.617 -8.332 187 HB2 ASN 22 2HB ASN 22 14.989 -4.472 -9.606 188 HB3 ASN 22 1HB ASN 22 14.185 -3.621 -8.298 189 HD21 ASN 22 1HD2 ASN 22 14.748 -5.509 -6.236 190 HD22 ASN 22 2HD2 ASN 22 16.447 -5.428 -5.912 191 H GLU 23 HN GLU 23 11.150 -5.590 -8.619 192 HA GLU 23 HA GLU 23 9.359 -5.589 -7.242 193 HB2 GLU 23 2HB GLU 23 11.310 -5.894 -4.954 194 HB3 GLU 23 1HB GLU 23 9.563 -6.050 -4.842 195 HG2 GLU 23 2HG GLU 23 9.843 -7.886 -6.625 196 HG3 GLU 23 1HG GLU 23 11.540 -7.866 -6.148 197 H ALA 24 HN ALA 24 8.188 -4.161 -5.848 198 HA ALA 24 HA ALA 24 9.489 -1.541 -5.552 199 HB1 ALA 24 1HB ALA 24 7.511 -0.447 -6.457 200 HB2 ALA 24 2HB ALA 24 6.748 -2.014 -6.722 201 HB3 ALA 24 3HB ALA 24 8.190 -1.569 -7.635 202 H CYS 25 HN CYS 25 8.644 -0.203 -3.926 203 HA CYS 25 HA CYS 25 6.618 -1.369 -2.158 204 HB2 CYS 25 2HB CYS 25 8.896 -1.952 -1.311 205 HB3 CYS 25 1HB CYS 25 9.259 -0.234 -1.204 206 HG CYS 25 HG CYS 25 8.811 -0.667 1.352 207 H GLY 26 HN GLY 26 5.557 0.207 -0.805 208 HA2 GLY 26 2HA GLY 26 6.187 2.976 -0.928 209 HA3 GLY 26 1HA GLY 26 4.880 2.592 -2.036 210 H LEU 27 HN LEU 27 3.976 4.261 -0.389 211 HA LEU 27 HA LEU 27 2.694 2.764 1.808 212 HB2 LEU 27 2HB LEU 27 3.597 5.647 1.807 213 HB3 LEU 27 1HB LEU 27 2.636 4.910 3.072 214 HG LEU 27 HG LEU 27 5.441 4.070 2.329 215 HD11 LEU 27 1HD1 LEU 27 5.373 6.312 3.304 216 HD12 LEU 27 2HD1 LEU 27 6.107 5.148 4.407 217 HD13 LEU 27 3HD1 LEU 27 4.449 5.689 4.670 218 HD21 LEU 27 3HD2 LEU 27 4.115 2.254 3.276 219 HD22 LEU 27 1HD2 LEU 27 3.670 3.282 4.639 220 HD23 LEU 27 2HD2 LEU 27 5.349 2.795 4.413 221 H LEU 28 HN LEU 28 0.606 3.666 2.477 222 HA LEU 28 HA LEU 28 -0.795 4.998 0.248 223 HB2 LEU 28 2HB LEU 28 -1.857 2.934 2.184 224 HB3 LEU 28 1HB LEU 28 -2.826 3.787 0.998 225 HG LEU 28 HG LEU 28 -0.551 1.910 0.349 226 HD11 LEU 28 1HD1 LEU 28 -2.450 0.723 1.294 227 HD12 LEU 28 2HD1 LEU 28 -2.311 0.401 -0.435 228 HD13 LEU 28 3HD1 LEU 28 -3.534 1.525 0.157 229 HD21 LEU 28 3HD2 LEU 28 -2.558 3.290 -1.432 230 HD22 LEU 28 1HD2 LEU 28 -1.370 2.096 -1.951 231 HD23 LEU 28 2HD2 LEU 28 -0.837 3.657 -1.327 232 H GLY 29 HN GLY 29 -1.967 6.781 0.731 233 HA2 GLY 29 2HA GLY 29 -2.238 7.468 3.594 234 HA3 GLY 29 1HA GLY 29 -1.789 8.653 2.374 235 H GLY 30 HN GLY 30 -4.086 8.551 4.237 236 HA2 GLY 30 2HA GLY 30 -5.991 9.857 2.864 237 HA3 GLY 30 1HA GLY 30 -6.384 8.181 2.508 238 H ARG 31 HN ARG 31 -8.192 7.838 3.618 239 HA ARG 31 HA ARG 31 -8.247 8.588 6.473 240 HB2 ARG 31 2HB ARG 31 -10.620 7.903 4.729 241 HB3 ARG 31 1HB ARG 31 -10.645 8.636 6.326 242 HG2 ARG 31 2HG ARG 31 -9.694 10.675 5.445 243 HG3 ARG 31 1HG ARG 31 -9.538 9.942 3.848 244 HD2 ARG 31 2HD ARG 31 -11.490 11.251 3.747 245 HD3 ARG 31 1HD ARG 31 -12.046 9.587 3.917 246 HE ARG 31 HE ARG 31 -11.806 10.928 6.439 247 HH11 ARG 31 1HH1 ARG 31 -13.885 10.479 3.642 248 HH12 ARG 31 2HH1 ARG 31 -15.340 10.910 4.497 249 HH21 ARG 31 1HH2 ARG 31 -13.709 11.517 7.553 250 HH22 ARG 31 2HH2 ARG 31 -15.237 11.524 6.723 251 H ARG 32 HN ARG 32 -8.388 6.937 7.957 252 HA ARG 32 HA ARG 32 -9.216 4.327 6.920 253 HB2 ARG 32 2HB ARG 32 -7.476 3.166 8.018 254 HB3 ARG 32 1HB ARG 32 -6.713 4.479 7.147 255 HG2 ARG 32 2HG ARG 32 -5.598 4.735 9.077 256 HG3 ARG 32 1HG ARG 32 -7.037 5.646 9.546 257 HD2 ARG 32 2HD ARG 32 -7.963 3.730 10.651 258 HD3 ARG 32 1HD ARG 32 -6.676 2.694 10.037 259 HE ARG 32 HE ARG 32 -5.349 4.582 11.466 260 HH11 ARG 32 1HH1 ARG 32 -8.016 2.433 12.176 261 HH12 ARG 32 2HH1 ARG 32 -7.611 2.272 13.862 262 HH21 ARG 32 1HH2 ARG 32 -4.782 4.359 13.672 263 HH22 ARG 32 2HH2 ARG 32 -5.770 3.374 14.709 264 H ASP 33 HN ASP 33 -10.250 2.979 8.336 265 HA ASP 33 HA ASP 33 -11.167 4.230 10.846 266 HB2 ASP 33 2HB ASP 33 -12.822 3.778 8.869 267 HB3 ASP 33 1HB ASP 33 -12.688 2.093 9.360 268 H GLY 34 HN GLY 34 -12.405 1.773 11.756 269 HA2 GLY 34 2HA GLY 34 -10.022 0.390 12.662 270 HA3 GLY 34 1HA GLY 34 -11.666 0.100 13.210 271 H ASP 35 HN ASP 35 -12.598 -0.100 10.419 272 HA ASP 35 HA ASP 35 -11.588 -2.814 9.867 273 HB2 ASP 35 2HB ASP 35 -13.968 -2.624 10.698 274 HB3 ASP 35 1HB ASP 35 -14.346 -1.760 9.215 275 H ASP 36 HN ASP 36 -12.468 0.293 8.474 276 HA ASP 36 HA ASP 36 -11.870 -0.801 5.811 277 HB2 ASP 36 2HB ASP 36 -13.493 1.653 6.443 278 HB3 ASP 36 1HB ASP 36 -13.193 0.995 4.847 279 H ARG 37 HN ARG 37 -10.805 0.444 4.311 280 HA ARG 37 HA ARG 37 -9.150 2.651 5.330 281 HB2 ARG 37 2HB ARG 37 -8.210 0.267 3.729 282 HB3 ARG 37 1HB ARG 37 -7.297 1.763 3.818 283 HG2 ARG 37 2HG ARG 37 -6.289 0.407 5.400 284 HG3 ARG 37 1HG ARG 37 -7.363 1.419 6.362 285 HD2 ARG 37 2HD ARG 37 -8.987 -0.371 6.481 286 HD3 ARG 37 1HD ARG 37 -7.998 -1.375 5.420 287 HE ARG 37 HE ARG 37 -6.460 -0.626 7.648 288 HH11 ARG 37 1HH1 ARG 37 -9.194 -2.664 6.863 289 HH12 ARG 37 2HH1 ARG 37 -8.913 -3.772 8.162 290 HH21 ARG 37 1HH2 ARG 37 -6.066 -2.095 9.371 291 HH22 ARG 37 2HH2 ARG 37 -7.128 -3.450 9.583 292 H TRP 38 HN TRP 38 -9.155 4.408 3.994 293 HA TRP 38 HA TRP 38 -10.127 4.006 1.236 294 HB2 TRP 38 2HB TRP 38 -10.639 6.393 3.030 295 HB3 TRP 38 1HB TRP 38 -11.179 6.226 1.363 296 HD1 TRP 38 1HD TRP 38 -13.066 4.267 0.917 297 HE1 TRP 38 1HE TRP 38 -14.951 3.428 2.462 298 HE3 TRP 38 3HE TRP 38 -11.285 6.004 5.383 299 HZ2 TRP 38 2HZ TRP 38 -15.592 3.499 5.209 300 HZ3 TRP 38 3HZ TRP 38 -12.595 5.576 7.423 301 HH2 TRP 38 2HH TRP 38 -14.704 4.352 7.334 302 H VAL 39 HN VAL 39 -8.498 4.339 -0.145 303 HA VAL 39 HA VAL 39 -6.203 5.941 0.641 304 HB VAL 39 HB VAL 39 -6.614 4.622 -2.039 305 HG11 VAL 39 1HG1 VAL 39 -4.182 4.506 -2.056 306 HG12 VAL 39 2HG1 VAL 39 -4.125 5.249 -0.458 307 HG13 VAL 39 3HG1 VAL 39 -4.732 6.167 -1.835 308 HG21 VAL 39 3HG2 VAL 39 -5.551 3.332 0.475 309 HG22 VAL 39 1HG2 VAL 39 -5.502 2.623 -1.140 310 HG23 VAL 39 2HG2 VAL 39 -7.053 2.925 -0.355 311 H GLU 40 HN GLU 40 -6.107 8.086 0.240 312 HA GLU 40 HA GLU 40 -7.720 9.174 -1.952 313 HB2 GLU 40 2HB GLU 40 -7.302 11.371 -0.990 314 HB3 GLU 40 1HB GLU 40 -7.937 10.286 0.230 315 HG2 GLU 40 2HG GLU 40 -6.302 11.320 1.418 316 HG3 GLU 40 1HG GLU 40 -5.398 9.941 0.796 317 H ARG 41 HN ARG 41 -4.411 8.685 -0.950 318 HA ARG 41 HA ARG 41 -3.592 9.190 -3.693 319 HB2 ARG 41 2HB ARG 41 -3.206 11.347 -2.576 320 HB3 ARG 41 1HB ARG 41 -2.235 10.542 -1.350 321 HG2 ARG 41 2HG ARG 41 -0.794 11.610 -2.954 322 HG3 ARG 41 1HG ARG 41 -0.640 9.858 -3.101 323 HD2 ARG 41 2HD ARG 41 -2.448 10.086 -4.929 324 HD3 ARG 41 1HD ARG 41 -2.014 11.793 -4.927 325 HE ARG 41 HE ARG 41 -0.111 9.615 -5.518 326 HH11 ARG 41 1HH1 ARG 41 -1.231 12.911 -5.935 327 HH12 ARG 41 2HH1 ARG 41 -0.177 13.228 -7.288 328 HH21 ARG 41 1HH2 ARG 41 1.239 10.005 -7.302 329 HH22 ARG 41 2HH2 ARG 41 1.244 11.577 -8.058 330 H VAL 42 HN VAL 42 -2.090 7.822 -4.376 331 HA VAL 42 HA VAL 42 -0.920 5.911 -2.529 332 HB VAL 42 HB VAL 42 -0.696 6.167 -5.539 333 HG11 VAL 42 1HG1 VAL 42 0.287 3.982 -3.705 334 HG12 VAL 42 2HG1 VAL 42 1.286 5.082 -4.654 335 HG13 VAL 42 3HG1 VAL 42 0.261 3.897 -5.465 336 HG21 VAL 42 3HG2 VAL 42 -2.151 4.189 -5.572 337 HG22 VAL 42 1HG2 VAL 42 -2.934 5.565 -4.796 338 HG23 VAL 42 2HG2 VAL 42 -2.272 4.258 -3.814 339 H TYR 43 HN TYR 43 1.145 5.964 -1.845 340 HA TYR 43 HA TYR 43 2.810 8.191 -2.799 341 HB2 TYR 43 2HB TYR 43 2.493 6.973 -0.070 342 HB3 TYR 43 1HB TYR 43 3.954 7.858 -0.495 343 HD1 TYR 43 1HD TYR 43 0.267 8.181 -0.185 344 HD2 TYR 43 2HD TYR 43 3.997 10.202 -0.502 345 HE1 TYR 43 1HE TYR 43 -0.846 10.309 0.357 346 HE2 TYR 43 2HE TYR 43 2.898 12.334 0.034 347 HH TYR 43 HH TYR 43 -0.421 12.475 1.097 348 HA PRO 44 HA PRO 44 5.204 4.524 -4.191 349 HB2 PRO 44 2HB PRO 44 6.300 6.562 -6.017 350 HB3 PRO 44 1HB PRO 44 5.600 4.986 -6.390 351 HG2 PRO 44 2HG PRO 44 4.305 7.258 -6.961 352 HG3 PRO 44 1HG PRO 44 3.436 5.808 -6.423 353 HD2 PRO 44 2HD PRO 44 4.197 8.249 -4.862 354 HD3 PRO 44 1HD PRO 44 2.676 7.331 -4.843 355 H LEU 45 HN LEU 45 6.677 4.241 -2.593 356 HA LEU 45 HA LEU 45 8.524 6.338 -1.871 357 HB2 LEU 45 2HB LEU 45 7.774 3.691 -0.776 358 HB3 LEU 45 1HB LEU 45 9.401 4.228 -0.441 359 HG LEU 45 HG LEU 45 8.015 4.847 1.406 360 HD11 LEU 45 1HD1 LEU 45 8.586 7.258 -0.306 361 HD12 LEU 45 2HD1 LEU 45 9.718 6.462 0.789 362 HD13 LEU 45 3HD1 LEU 45 8.293 7.275 1.432 363 HD21 LEU 45 3HD2 LEU 45 5.850 4.785 0.312 364 HD22 LEU 45 1HD2 LEU 45 6.250 6.241 -0.596 365 HD23 LEU 45 2HD2 LEU 45 6.075 6.317 1.157 366 H ASN 46 HN ASN 46 10.802 4.793 -1.260 367 HA ASN 46 HA ASN 46 11.894 4.625 -3.978 368 HB2 ASN 46 2HB ASN 46 12.694 6.394 -2.318 369 HB3 ASN 46 1HB ASN 46 13.400 5.077 -1.394 370 HD21 ASN 46 1HD2 ASN 46 15.500 5.667 -1.640 371 HD22 ASN 46 2HD2 ASN 46 16.333 5.639 -3.158 372 H ASN 47 HN ASN 47 14.345 3.444 -3.037 373 HA ASN 47 HA ASN 47 13.650 0.922 -1.787 374 HB2 ASN 47 2HB ASN 47 13.413 0.256 -4.046 375 HB3 ASN 47 1HB ASN 47 14.785 1.223 -4.565 376 HD21 ASN 47 1HD2 ASN 47 13.803 -1.740 -2.985 377 HD22 ASN 47 2HD2 ASN 47 15.321 -2.542 -3.131 378 H LEU 48 HN LEU 48 14.867 1.538 0.000 379 HA LEU 48 HA LEU 48 17.567 2.452 -0.276 380 HB2 LEU 48 2HB LEU 48 16.051 1.400 2.111 381 HB3 LEU 48 1HB LEU 48 17.693 1.974 2.191 382 HG LEU 48 HG LEU 48 15.286 3.577 1.515 383 HD11 LEU 48 1HD1 LEU 48 15.549 3.137 3.880 384 HD12 LEU 48 2HD1 LEU 48 15.879 4.832 3.527 385 HD13 LEU 48 3HD1 LEU 48 17.214 3.716 3.812 386 HD21 LEU 48 3HD2 LEU 48 17.157 4.276 0.114 387 HD22 LEU 48 1HD2 LEU 48 18.163 4.447 1.553 388 HD23 LEU 48 2HD2 LEU 48 16.768 5.501 1.323 389 H ASP 49 HN ASP 49 16.221 -0.629 0.949 390 HA ASP 49 HA ASP 49 18.810 -1.888 0.453 391 HB2 ASP 49 2HB ASP 49 16.304 -3.157 1.576 392 HB3 ASP 49 1HB ASP 49 17.914 -3.856 1.558 393 H GLN 50 HN GLN 50 19.027 -2.141 -1.682 394 HA GLN 50 HA GLN 50 17.018 -2.410 -3.557 395 HB2 GLN 50 2HB GLN 50 19.850 -3.457 -3.709 396 HB3 GLN 50 1HB GLN 50 18.771 -3.260 -5.085 397 HG2 GLN 50 2HG GLN 50 18.650 -0.840 -4.594 398 HG3 GLN 50 1HG GLN 50 19.825 -1.074 -3.302 399 HE21 GLN 50 1HE2 GLN 50 19.301 -1.005 -6.725 400 HE22 GLN 50 2HE2 GLN 50 20.967 -0.934 -7.190 401 H SER 51 HN SER 51 18.921 -4.940 -2.028 402 HA SER 51 HA SER 51 18.644 -7.162 -1.742 403 HB2 SER 51 2HB SER 51 15.709 -6.491 -1.959 404 HB3 SER 51 1HB SER 51 16.417 -7.889 -1.147 405 HG SER 51 HG SER 51 16.342 -5.204 -0.368 406 HA PRO 52 HA PRO 52 17.604 -9.215 -5.615 407 HB2 PRO 52 2HB PRO 52 17.602 -11.793 -4.382 408 HB3 PRO 52 1HB PRO 52 18.903 -11.034 -5.298 409 HG2 PRO 52 2HG PRO 52 19.005 -11.594 -2.594 410 HG3 PRO 52 1HG PRO 52 20.004 -10.381 -3.412 411 HD2 PRO 52 2HD PRO 52 17.490 -10.011 -1.828 412 HD3 PRO 52 1HD PRO 52 18.962 -9.012 -1.859 413 H GLU 53 HN GLU 53 15.996 -10.574 -2.728 414 HA GLU 53 HA GLU 53 13.580 -11.058 -4.352 415 HB2 GLU 53 2HB GLU 53 14.342 -12.359 -1.737 416 HB3 GLU 53 1HB GLU 53 13.028 -12.822 -2.802 417 HG2 GLU 53 2HG GLU 53 14.561 -13.630 -4.446 418 HG3 GLU 53 1HG GLU 53 15.936 -12.986 -3.550 419 H HIS 54 HN HIS 54 14.652 -8.767 -2.336 420 HA HIS 54 HA HIS 54 12.142 -8.608 -0.819 421 HB2 HIS 54 2HB HIS 54 14.919 -8.263 0.333 422 HB3 HIS 54 1HB HIS 54 13.437 -7.846 1.181 423 HD1 HIS 54 1HD HIS 54 15.317 -9.866 2.429 424 HD2 HIS 54 2HD HIS 54 12.204 -10.939 -0.117 425 HE1 HIS 54 1HE HIS 54 14.759 -12.255 2.997 426 HE2 HIS 54 2HE HIS 54 12.735 -12.808 1.589 427 H PHE 55 HN PHE 55 12.462 -6.387 0.579 428 HA PHE 55 HA PHE 55 13.344 -4.229 -1.158 429 HB2 PHE 55 2HB PHE 55 11.081 -3.142 -1.017 430 HB3 PHE 55 1HB PHE 55 11.092 -4.612 -1.986 431 HD1 PHE 55 1HD PHE 55 10.002 -6.636 -1.184 432 HD2 PHE 55 2HD PHE 55 9.909 -3.042 1.087 433 HE1 PHE 55 1HE PHE 55 8.193 -7.562 0.204 434 HE2 PHE 55 2HE PHE 55 8.105 -3.962 2.481 435 HZ PHE 55 HZ PHE 55 7.244 -6.224 2.043 436 H SER 56 HN SER 56 12.358 -2.087 0.099 437 HA SER 56 HA SER 56 12.932 -2.496 2.950 438 HB2 SER 56 2HB SER 56 14.853 -1.468 1.645 439 HB3 SER 56 1HB SER 56 13.810 -0.074 1.362 440 HG SER 56 HG SER 56 15.210 -0.799 3.586 441 H MET 57 HN MET 57 12.146 -0.596 4.269 442 HA MET 57 HA MET 57 9.557 0.328 3.230 443 HB2 MET 57 2HB MET 57 10.654 -0.022 6.009 444 HB3 MET 57 1HB MET 57 9.261 1.011 5.717 445 HG2 MET 57 2HG MET 57 9.157 -1.718 4.589 446 HG3 MET 57 1HG MET 57 9.067 -1.572 6.343 447 HE1 MET 57 3HE MET 57 7.738 1.089 3.747 448 HE2 MET 57 1HE MET 57 6.076 0.548 3.510 449 HE3 MET 57 2HE MET 57 7.418 -0.434 2.920 450 H ASP 58 HN ASP 58 12.633 1.301 3.379 451 HA ASP 58 HA ASP 58 13.818 3.221 3.581 452 HB2 ASP 58 2HB ASP 58 11.396 4.495 2.312 453 HB3 ASP 58 1HB ASP 58 13.076 4.985 2.168 454 HA PRO 59 HA PRO 59 11.434 4.261 7.496 455 HB2 PRO 59 2HB PRO 59 14.285 4.654 8.299 456 HB3 PRO 59 1HB PRO 59 12.957 3.904 9.193 457 HG2 PRO 59 2HG PRO 59 14.800 2.389 8.038 458 HG3 PRO 59 1HG PRO 59 13.089 1.920 7.994 459 HD2 PRO 59 2HD PRO 59 14.795 3.083 5.836 460 HD3 PRO 59 1HD PRO 59 13.489 1.885 5.724 461 H ARG 60 HN ARG 60 14.163 5.961 6.011 462 HA ARG 60 HA ARG 60 13.682 8.425 7.356 463 HB2 ARG 60 2HB ARG 60 15.042 8.326 4.686 464 HB3 ARG 60 1HB ARG 60 15.418 9.318 6.084 465 HG2 ARG 60 2HG ARG 60 15.915 6.355 5.924 466 HG3 ARG 60 1HG ARG 60 17.115 7.591 5.560 467 HD2 ARG 60 2HD ARG 60 16.925 8.444 7.850 468 HD3 ARG 60 1HD ARG 60 15.731 7.195 8.214 469 HE ARG 60 HE ARG 60 17.966 5.881 7.234 470 HH11 ARG 60 1HH1 ARG 60 17.246 7.961 9.972 471 HH12 ARG 60 2HH1 ARG 60 18.436 7.222 11.006 472 HH21 ARG 60 1HH2 ARG 60 19.516 4.913 8.583 473 HH22 ARG 60 2HH2 ARG 60 19.718 5.470 10.221 474 H GLU 61 HN GLU 61 12.886 7.186 4.143 475 HA GLU 61 HA GLU 61 11.560 9.546 3.266 476 HB2 GLU 61 2HB GLU 61 11.241 6.704 2.271 477 HB3 GLU 61 1HB GLU 61 10.763 8.162 1.415 478 HG2 GLU 61 2HG GLU 61 13.585 7.407 2.137 479 HG3 GLU 61 1HG GLU 61 12.839 7.204 0.553 480 H GLN 62 HN GLN 62 10.600 6.567 4.837 481 HA GLN 62 HA GLN 62 7.832 6.781 4.670 482 HB2 GLN 62 2HB GLN 62 9.008 4.762 5.384 483 HB3 GLN 62 1HB GLN 62 9.556 5.578 6.841 484 HG2 GLN 62 2HG GLN 62 7.269 5.783 7.605 485 HG3 GLN 62 1HG GLN 62 6.695 5.000 6.135 486 HE21 GLN 62 1HE2 GLN 62 5.739 3.317 7.267 487 HE22 GLN 62 2HE2 GLN 62 6.663 2.077 8.033 488 H LEU 63 HN LEU 63 10.064 7.946 7.211 489 HA LEU 63 HA LEU 63 7.996 8.995 8.851 490 HB2 LEU 63 2HB LEU 63 10.283 8.424 9.641 491 HB3 LEU 63 1HB LEU 63 10.909 9.794 8.745 492 HG LEU 63 HG LEU 63 9.588 11.320 10.163 493 HD11 LEU 63 1HD1 LEU 63 7.755 9.814 10.728 494 HD12 LEU 63 2HD1 LEU 63 8.505 10.471 12.183 495 HD13 LEU 63 3HD1 LEU 63 8.857 8.818 11.680 496 HD21 LEU 63 3HD2 LEU 63 11.353 9.405 11.686 497 HD22 LEU 63 1HD2 LEU 63 10.899 11.026 12.215 498 HD23 LEU 63 2HD2 LEU 63 11.889 10.815 10.770 499 H THR 64 HN THR 64 9.849 10.271 6.189 500 HA THR 64 HA THR 64 9.118 12.991 6.507 501 HB THR 64 HB THR 64 9.926 11.540 3.975 502 HG1 THR 64 1HG THR 64 11.692 11.311 5.196 503 HG21 THR 64 3HG2 THR 64 10.631 13.725 3.177 504 HG22 THR 64 1HG2 THR 64 10.114 14.469 4.690 505 HG23 THR 64 2HG2 THR 64 8.919 13.766 3.600 506 H ALA 65 HN ALA 65 7.732 10.292 4.679 507 HA ALA 65 HA ALA 65 5.803 11.845 3.291 508 HB1 ALA 65 1HB ALA 65 4.829 9.723 2.636 509 HB2 ALA 65 2HB ALA 65 5.771 8.884 3.867 510 HB3 ALA 65 3HB ALA 65 6.587 9.650 2.505 511 H VAL 66 HN VAL 66 5.618 9.848 6.231 512 HA VAL 66 HA VAL 66 2.846 10.146 6.631 513 HB VAL 66 HB VAL 66 5.003 9.671 8.703 514 HG11 VAL 66 1HG1 VAL 66 2.937 10.427 9.744 515 HG12 VAL 66 2HG1 VAL 66 3.206 8.715 10.070 516 HG13 VAL 66 3HG1 VAL 66 2.025 9.207 8.855 517 HG21 VAL 66 3HG2 VAL 66 4.984 7.987 6.937 518 HG22 VAL 66 1HG2 VAL 66 3.260 7.719 7.205 519 HG23 VAL 66 2HG2 VAL 66 4.423 7.317 8.468 520 H LYS 67 HN LYS 67 5.580 12.128 7.542 521 HA LYS 67 HA LYS 67 4.343 13.855 9.362 522 HB2 LYS 67 2HB LYS 67 6.788 13.718 8.901 523 HB3 LYS 67 1HB LYS 67 6.510 14.524 7.364 524 HG2 LYS 67 2HG LYS 67 5.656 16.488 8.562 525 HG3 LYS 67 1HG LYS 67 5.990 15.681 10.095 526 HD2 LYS 67 2HD LYS 67 8.027 16.407 7.989 527 HD3 LYS 67 1HD LYS 67 7.771 17.244 9.520 528 HE2 LYS 67 2HE LYS 67 8.401 15.239 10.745 529 HE3 LYS 67 1HE LYS 67 8.605 14.359 9.232 530 HZ1 LYS 67 3HZ LYS 67 10.729 15.054 10.025 531 HZ2 LYS 67 1HZ LYS 67 10.221 16.667 10.179 532 HZ3 LYS 67 2HZ LYS 67 10.366 15.962 8.643 533 H ASP 68 HN ASP 68 4.570 13.967 5.842 534 HA ASP 68 HA ASP 68 3.315 16.516 5.598 535 HB2 ASP 68 2HB ASP 68 4.787 15.438 3.855 536 HB3 ASP 68 1HB ASP 68 3.449 14.357 3.493 537 H MET 69 HN MET 69 2.237 13.190 5.489 538 HA MET 69 HA MET 69 -0.352 13.523 4.532 539 HB2 MET 69 2HB MET 69 0.638 11.528 6.575 540 HB3 MET 69 1HB MET 69 -0.892 11.415 5.717 541 HG2 MET 69 2HG MET 69 0.244 11.161 3.620 542 HG3 MET 69 1HG MET 69 1.806 11.427 4.393 543 HE1 MET 69 3HE MET 69 2.157 7.682 3.531 544 HE2 MET 69 1HE MET 69 2.931 9.267 3.532 545 HE3 MET 69 2HE MET 69 1.492 8.988 2.549 546 H ARG 70 HN ARG 70 0.777 13.625 7.924 547 HA ARG 70 HA ARG 70 -1.867 14.050 8.914 548 HB2 ARG 70 2HB ARG 70 -0.769 14.503 11.096 549 HB3 ARG 70 1HB ARG 70 -0.318 12.971 10.372 550 HG2 ARG 70 2HG ARG 70 1.688 13.738 11.173 551 HG3 ARG 70 1HG ARG 70 1.741 14.284 9.497 552 HD2 ARG 70 2HD ARG 70 1.123 16.513 10.146 553 HD3 ARG 70 1HD ARG 70 0.828 15.997 11.808 554 HE ARG 70 HE ARG 70 3.359 15.362 11.638 555 HH11 ARG 70 1HH1 ARG 70 1.798 18.244 10.382 556 HH12 ARG 70 2HH1 ARG 70 3.247 19.203 10.437 557 HH21 ARG 70 1HH2 ARG 70 5.225 16.628 11.786 558 HH22 ARG 70 2HH2 ARG 70 5.205 18.281 11.247 559 H LYS 71 HN LYS 71 0.601 16.118 7.717 560 HA LYS 71 HA LYS 71 -0.371 18.556 8.839 561 HB2 LYS 71 2HB LYS 71 1.926 18.166 7.856 562 HB3 LYS 71 1HB LYS 71 1.183 18.191 6.268 563 HG2 LYS 71 2HG LYS 71 0.752 20.509 8.083 564 HG3 LYS 71 1HG LYS 71 2.312 20.329 7.283 565 HD2 LYS 71 2HD LYS 71 -0.264 20.212 5.741 566 HD3 LYS 71 1HD LYS 71 0.498 21.752 6.132 567 HE2 LYS 71 2HE LYS 71 1.200 21.133 3.939 568 HE3 LYS 71 1HE LYS 71 2.578 20.919 5.018 569 HZ1 LYS 71 3HZ LYS 71 2.069 18.538 5.079 570 HZ2 LYS 71 1HZ LYS 71 2.398 19.067 3.507 571 HZ3 LYS 71 2HZ LYS 71 0.800 18.773 3.983 572 H ASN 72 HN ASN 72 -1.096 16.649 6.010 573 HA ASN 72 HA ASN 72 -2.778 18.681 4.819 574 HB2 ASN 72 2HB ASN 72 -2.428 15.778 4.039 575 HB3 ASN 72 1HB ASN 72 -3.222 17.018 3.076 576 HD21 ASN 72 1HD2 ASN 72 -0.937 15.348 2.437 577 HD22 ASN 72 2HD2 ASN 72 0.381 16.414 2.092 578 H GLY 73 HN GLY 73 -3.148 16.234 7.136 579 HA2 GLY 73 2HA GLY 73 -5.108 16.137 8.489 580 HA3 GLY 73 1HA GLY 73 -6.053 16.665 7.104 581 H TRP 74 HN TRP 74 -3.673 14.187 6.672 582 HA TRP 74 HA TRP 74 -5.791 12.140 6.661 583 HB2 TRP 74 2HB TRP 74 -3.644 12.646 4.605 584 HB3 TRP 74 1HB TRP 74 -4.477 11.099 4.734 585 HD1 TRP 74 1HD TRP 74 -7.376 11.618 4.856 586 HE1 TRP 74 1HE TRP 74 -8.696 12.930 3.074 587 HE3 TRP 74 3HE TRP 74 -3.520 14.292 2.832 588 HZ2 TRP 74 2HZ TRP 74 -8.151 14.849 1.074 589 HZ3 TRP 74 3HZ TRP 74 -4.006 15.847 0.987 590 HH2 TRP 74 2HH TRP 74 -6.275 16.119 0.129 591 H VAL 75 HN VAL 75 -4.733 9.872 6.571 592 HA VAL 75 HA VAL 75 -2.334 9.833 8.277 593 HB VAL 75 HB VAL 75 -3.304 7.930 9.549 594 HG11 VAL 75 1HG1 VAL 75 -4.757 9.274 10.973 595 HG12 VAL 75 2HG1 VAL 75 -4.917 10.476 9.693 596 HG13 VAL 75 3HG1 VAL 75 -3.351 10.204 10.455 597 HG21 VAL 75 3HG2 VAL 75 -5.872 8.691 8.155 598 HG22 VAL 75 1HG2 VAL 75 -5.716 7.527 9.471 599 HG23 VAL 75 2HG2 VAL 75 -4.965 7.199 7.909 600 H MET 76 HN MET 76 -1.352 7.620 8.372 601 HA MET 76 HA MET 76 -1.105 6.573 5.697 602 HB2 MET 76 2HB MET 76 0.886 6.900 7.111 603 HB3 MET 76 1HB MET 76 0.252 5.741 8.272 604 HG2 MET 76 2HG MET 76 0.361 3.989 6.548 605 HG3 MET 76 1HG MET 76 1.060 5.160 5.433 606 HE1 MET 76 3HE MET 76 1.760 4.909 9.291 607 HE2 MET 76 1HE MET 76 3.155 3.829 9.327 608 HE3 MET 76 2HE MET 76 1.579 3.218 8.825 609 H LEU 77 HN LEU 77 -2.082 4.834 4.923 610 HA LEU 77 HA LEU 77 -3.958 3.396 6.625 611 HB2 LEU 77 2HB LEU 77 -3.458 2.915 3.698 612 HB3 LEU 77 1HB LEU 77 -4.918 2.599 4.615 613 HG LEU 77 HG LEU 77 -3.854 5.338 3.932 614 HD11 LEU 77 1HD1 LEU 77 -5.717 5.467 2.395 615 HD12 LEU 77 2HD1 LEU 77 -6.199 3.823 2.814 616 HD13 LEU 77 3HD1 LEU 77 -4.669 4.110 1.985 617 HD21 LEU 77 3HD2 LEU 77 -5.099 5.301 6.033 618 HD22 LEU 77 1HD2 LEU 77 -6.446 4.503 5.221 619 HD23 LEU 77 2HD2 LEU 77 -5.991 6.145 4.767 620 H GLY 78 HN GLY 78 -0.913 2.956 5.094 621 HA2 GLY 78 2HA GLY 78 0.140 0.882 6.369 622 HA3 GLY 78 1HA GLY 78 -0.973 0.059 5.279 623 H ASN 79 HN ASN 79 0.692 -0.932 4.089 624 HA ASN 79 HA ASN 79 2.089 0.922 2.293 625 HB2 ASN 79 2HB ASN 79 4.136 -0.399 2.393 626 HB3 ASN 79 1HB ASN 79 3.725 0.204 3.988 627 HD21 ASN 79 1HD2 ASN 79 3.101 -1.242 5.588 628 HD22 ASN 79 2HD2 ASN 79 3.301 -2.948 5.423 629 H PHE 80 HN PHE 80 2.968 -0.189 0.396 630 HA PHE 80 HA PHE 80 1.593 -2.687 -0.257 631 HB2 PHE 80 2HB PHE 80 0.965 -1.924 -2.467 632 HB3 PHE 80 1HB PHE 80 0.281 -0.834 -1.271 633 HD1 PHE 80 2HD PHE 80 1.074 1.451 -1.074 634 HD2 PHE 80 1HD PHE 80 2.697 -1.192 -3.991 635 HE1 PHE 80 2HE PHE 80 2.068 3.367 -2.257 636 HE2 PHE 80 1HE PHE 80 3.683 0.722 -5.180 637 HZ PHE 80 HZ PHE 80 3.372 3.006 -4.312 638 H HIS 81 HN HIS 81 2.765 -4.078 -1.483 639 HA HIS 81 HA HIS 81 5.278 -3.151 -2.622 640 HB2 HIS 81 2HB HIS 81 6.429 -5.201 -1.607 641 HB3 HIS 81 1HB HIS 81 6.133 -3.827 -0.551 642 HD1 HIS 81 1HD HIS 81 4.300 -4.135 1.304 643 HD2 HIS 81 2HD HIS 81 5.187 -7.561 -0.876 644 HE1 HIS 81 1HE HIS 81 3.374 -6.047 2.642 645 HE2 HIS 81 2HE HIS 81 4.186 -8.110 1.446 646 H SER 82 HN SER 82 5.981 -4.296 -4.372 647 HA SER 82 HA SER 82 3.943 -6.134 -5.446 648 HB2 SER 82 2HB SER 82 5.767 -4.298 -7.007 649 HB3 SER 82 1HB SER 82 4.397 -5.215 -7.630 650 HG SER 82 HG SER 82 3.101 -3.701 -6.964 651 H HIS 83 HN HIS 83 4.557 -8.015 -6.388 652 HA HIS 83 HA HIS 83 7.438 -8.626 -6.405 653 HB2 HIS 83 2HB HIS 83 5.079 -10.252 -5.542 654 HB3 HIS 83 1HB HIS 83 6.496 -11.075 -6.188 655 HD1 HIS 83 1HD HIS 83 7.137 -12.114 -3.915 656 HD2 HIS 83 2HD HIS 83 6.952 -7.968 -3.871 657 HE1 HIS 83 1HE HIS 83 8.273 -11.413 -1.792 658 HE2 HIS 83 2HE HIS 83 8.449 -8.912 -1.995 659 HA PRO 84 HA PRO 84 7.443 -9.002 -10.688 660 HB2 PRO 84 2HB PRO 84 8.972 -11.291 -11.040 661 HB3 PRO 84 1HB PRO 84 9.604 -9.666 -10.758 662 HG2 PRO 84 2HG PRO 84 9.193 -11.904 -8.824 663 HG3 PRO 84 1HG PRO 84 10.522 -10.733 -8.925 664 HD2 PRO 84 2HD PRO 84 8.590 -10.486 -7.087 665 HD3 PRO 84 1HD PRO 84 9.292 -9.063 -7.882 666 H ALA 85 HN ALA 85 7.139 -12.338 -9.410 667 HA ALA 85 HA ALA 85 4.680 -12.695 -10.853 668 HB1 ALA 85 1HB ALA 85 5.422 -14.445 -12.354 669 HB2 ALA 85 2HB ALA 85 7.077 -14.278 -11.774 670 HB3 ALA 85 3HB ALA 85 6.323 -12.962 -12.676 671 H THR 86 HN THR 86 4.435 -12.983 -8.465 672 HA THR 86 HA THR 86 4.433 -15.867 -7.962 673 HB THR 86 HB THR 86 4.853 -15.288 -5.488 674 HG1 THR 86 1HG THR 86 5.816 -13.381 -5.039 675 HG21 THR 86 3HG2 THR 86 6.472 -16.521 -6.827 676 HG22 THR 86 1HG2 THR 86 7.293 -15.387 -5.753 677 HG23 THR 86 2HG2 THR 86 7.116 -15.009 -7.467 678 HA PRO 87 HA PRO 87 0.224 -15.283 -6.625 679 HB2 PRO 87 2HB PRO 87 0.803 -16.718 -4.099 680 HB3 PRO 87 1HB PRO 87 -0.354 -17.108 -5.375 681 HG2 PRO 87 2HG PRO 87 1.884 -18.533 -5.060 682 HG3 PRO 87 1HG PRO 87 1.229 -18.182 -6.670 683 HD2 PRO 87 2HD PRO 87 3.526 -16.901 -5.237 684 HD3 PRO 87 1HD PRO 87 3.369 -17.345 -6.950 685 H ALA 88 HN ALA 88 -1.003 -13.892 -5.397 686 HA ALA 88 HA ALA 88 0.444 -11.941 -3.856 687 HB1 ALA 88 1HB ALA 88 -2.506 -12.111 -4.466 688 HB2 ALA 88 2HB ALA 88 -1.302 -11.243 -5.419 689 HB3 ALA 88 3HB ALA 88 -1.664 -10.724 -3.773 690 H ARG 89 HN ARG 89 0.994 -13.746 -2.286 691 HA ARG 89 HA ARG 89 -0.829 -13.479 -0.021 692 HB2 ARG 89 2HB ARG 89 0.224 -16.116 -1.065 693 HB3 ARG 89 1HB ARG 89 -0.431 -15.911 0.555 694 HG2 ARG 89 2HG ARG 89 -2.576 -15.281 -0.337 695 HG3 ARG 89 1HG ARG 89 -1.941 -15.326 -1.981 696 HD2 ARG 89 2HD ARG 89 -1.526 -17.725 -1.751 697 HD3 ARG 89 1HD ARG 89 -2.161 -17.675 -0.105 698 HE ARG 89 HE ARG 89 -4.274 -16.783 -1.309 699 HH11 ARG 89 1HH1 ARG 89 -2.073 -19.203 -2.541 700 HH12 ARG 89 2HH1 ARG 89 -3.269 -19.998 -3.517 701 HH21 ARG 89 1HH2 ARG 89 -5.872 -17.818 -2.569 702 HH22 ARG 89 2HH2 ARG 89 -5.457 -19.236 -3.494 703 HA PRO 90 HA PRO 90 2.791 -12.321 2.048 704 HB2 PRO 90 2HB PRO 90 2.233 -13.066 4.613 705 HB3 PRO 90 1HB PRO 90 1.485 -11.677 3.817 706 HG2 PRO 90 2HG PRO 90 0.411 -14.440 4.213 707 HG3 PRO 90 1HG PRO 90 -0.418 -12.882 4.391 708 HD2 PRO 90 2HD PRO 90 -0.713 -14.428 2.203 709 HD3 PRO 90 1HD PRO 90 -0.744 -12.655 2.116 710 H SER 91 HN SER 91 4.759 -13.012 2.689 711 HA SER 91 HA SER 91 5.138 -15.915 3.034 712 HB2 SER 91 2HB SER 91 7.228 -13.830 2.348 713 HB3 SER 91 1HB SER 91 7.391 -15.584 2.244 714 HG SER 91 HG SER 91 5.570 -14.016 0.729 715 H ALA 92 HN ALA 92 7.442 -16.118 4.357 716 HA ALA 92 HA ALA 92 6.813 -15.514 7.021 717 HB1 ALA 92 1HB ALA 92 8.297 -17.342 6.383 718 HB2 ALA 92 2HB ALA 92 9.079 -16.267 7.543 719 HB3 ALA 92 3HB ALA 92 9.503 -16.182 5.832 720 H GLU 93 HN GLU 93 8.894 -13.864 4.686 721 HA GLU 93 HA GLU 93 9.975 -11.961 6.452 722 HB2 GLU 93 2HB GLU 93 9.430 -11.615 3.501 723 HB3 GLU 93 1HB GLU 93 10.543 -10.660 4.470 724 HG2 GLU 93 2HG GLU 93 12.048 -12.083 3.581 725 HG3 GLU 93 1HG GLU 93 11.552 -13.082 4.946 726 H ASP 94 HN ASP 94 7.000 -11.941 4.532 727 HA ASP 94 HA ASP 94 6.242 -9.284 5.040 728 HB2 ASP 94 2HB ASP 94 4.513 -11.720 4.556 729 HB3 ASP 94 1HB ASP 94 3.899 -10.074 4.604 730 H LYS 95 HN LYS 95 5.681 -12.276 6.834 731 HA LYS 95 HA LYS 95 4.012 -11.098 8.808 732 HB2 LYS 95 2HB LYS 95 4.085 -13.544 8.297 733 HB3 LYS 95 1HB LYS 95 5.671 -13.615 9.049 734 HG2 LYS 95 2HG LYS 95 4.716 -12.960 11.183 735 HG3 LYS 95 1HG LYS 95 3.120 -12.812 10.442 736 HD2 LYS 95 2HD LYS 95 3.213 -15.217 9.863 737 HD3 LYS 95 1HD LYS 95 4.761 -15.333 10.700 738 HE2 LYS 95 2HE LYS 95 2.993 -16.110 12.154 739 HE3 LYS 95 1HE LYS 95 3.661 -14.605 12.781 740 HZ1 LYS 95 3HZ LYS 95 1.194 -14.733 11.130 741 HZ2 LYS 95 1HZ LYS 95 1.778 -13.408 12.008 742 HZ3 LYS 95 2HZ LYS 95 1.183 -14.764 12.823 743 H ARG 96 HN ARG 96 7.470 -11.467 8.463 744 HA ARG 96 HA ARG 96 8.134 -10.742 11.139 745 HB2 ARG 96 2HB ARG 96 9.678 -10.826 8.563 746 HB3 ARG 96 1HB ARG 96 10.396 -10.182 10.034 747 HG2 ARG 96 2HG ARG 96 10.086 -12.296 11.155 748 HG3 ARG 96 1HG ARG 96 9.259 -12.952 9.738 749 HD2 ARG 96 2HD ARG 96 11.248 -12.809 8.424 750 HD3 ARG 96 1HD ARG 96 12.084 -11.910 9.692 751 HE ARG 96 HE ARG 96 11.825 -14.016 11.058 752 HH11 ARG 96 1HH1 ARG 96 11.975 -14.096 7.560 753 HH12 ARG 96 2HH1 ARG 96 12.614 -15.706 7.489 754 HH21 ARG 96 1HH2 ARG 96 12.693 -16.113 10.976 755 HH22 ARG 96 2HH2 ARG 96 13.075 -16.844 9.447 756 H LEU 97 HN LEU 97 7.485 -8.961 8.205 757 HA LEU 97 HA LEU 97 8.477 -6.466 9.238 758 HB2 LEU 97 2HB LEU 97 6.848 -7.113 6.780 759 HB3 LEU 97 1HB LEU 97 7.482 -5.526 7.162 760 HG LEU 97 HG LEU 97 9.134 -7.992 6.628 761 HD11 LEU 97 1HD1 LEU 97 8.645 -5.529 4.965 762 HD12 LEU 97 2HD1 LEU 97 8.072 -7.160 4.618 763 HD13 LEU 97 3HD1 LEU 97 9.800 -6.808 4.588 764 HD21 LEU 97 3HD2 LEU 97 9.987 -5.140 7.119 765 HD22 LEU 97 1HD2 LEU 97 11.048 -6.475 6.674 766 HD23 LEU 97 2HD2 LEU 97 10.214 -6.492 8.227 767 H ALA 98 HN ALA 98 5.767 -8.246 9.847 768 HA ALA 98 HA ALA 98 3.903 -6.053 10.096 769 HB1 ALA 98 1HB ALA 98 3.663 -8.915 11.026 770 HB2 ALA 98 2HB ALA 98 3.092 -8.280 9.483 771 HB3 ALA 98 3HB ALA 98 2.366 -7.720 10.989 772 H PHE 99 HN PHE 99 4.746 -4.635 11.542 773 HA PHE 99 HA PHE 99 5.662 -5.567 14.128 774 HB2 PHE 99 2HB PHE 99 5.434 -2.773 12.994 775 HB3 PHE 99 1HB PHE 99 6.136 -3.167 14.561 776 HD1 PHE 99 2HD PHE 99 8.061 -4.942 14.499 777 HD2 PHE 99 1HD PHE 99 6.827 -2.616 11.157 778 HE1 PHE 99 2HE PHE 99 10.239 -5.338 13.425 779 HE2 PHE 99 1HE PHE 99 9.001 -3.012 10.074 780 HZ PHE 99 HZ PHE 99 10.712 -4.374 11.209 781 H ASP 100 HN ASP 100 2.874 -3.903 12.768 782 HA ASP 100 HA ASP 100 1.509 -4.428 15.304 783 HB2 ASP 100 2HB ASP 100 0.292 -2.382 15.175 784 HB3 ASP 100 1HB ASP 100 1.992 -1.977 15.014 785 HA PRO 101 HA PRO 101 -1.411 -6.416 12.711 786 HB2 PRO 101 2HB PRO 101 -3.452 -6.704 14.393 787 HB3 PRO 101 1HB PRO 101 -1.882 -7.446 14.728 788 HG2 PRO 101 2HG PRO 101 -3.110 -4.992 15.897 789 HG3 PRO 101 1HG PRO 101 -2.114 -6.232 16.679 790 HD2 PRO 101 2HD PRO 101 -1.221 -3.750 15.744 791 HD3 PRO 101 1HD PRO 101 -0.193 -5.134 16.164 792 H SER 102 HN SER 102 -1.856 -3.160 13.349 793 HA SER 102 HA SER 102 -4.666 -3.106 12.540 794 HB2 SER 102 2HB SER 102 -2.878 -0.877 13.533 795 HB3 SER 102 1HB SER 102 -4.605 -0.739 13.204 796 HG SER 102 HG SER 102 -3.903 -2.819 14.874 797 H LEU 103 HN LEU 103 -1.494 -2.046 11.418 798 HA LEU 103 HA LEU 103 -2.450 -0.533 9.214 799 HB2 LEU 103 2HB LEU 103 0.206 -1.834 9.770 800 HB3 LEU 103 1HB LEU 103 -0.102 -0.875 8.336 801 HG LEU 103 HG LEU 103 -0.199 0.100 11.192 802 HD11 LEU 103 1HD1 LEU 103 2.056 -0.243 10.394 803 HD12 LEU 103 2HD1 LEU 103 1.711 1.483 10.486 804 HD13 LEU 103 3HD1 LEU 103 1.705 0.663 8.924 805 HD21 LEU 103 3HD2 LEU 103 -0.693 1.594 8.617 806 HD22 LEU 103 1HD2 LEU 103 -0.573 2.317 10.220 807 HD23 LEU 103 2HD2 LEU 103 -1.897 1.212 9.848 808 H SER 104 HN SER 104 -2.347 -1.056 6.972 809 HA SER 104 HA SER 104 -2.977 -3.874 6.490 810 HB2 SER 104 2HB SER 104 -4.630 -2.056 5.871 811 HB3 SER 104 1HB SER 104 -3.483 -1.541 4.635 812 HG SER 104 HG SER 104 -5.016 -3.886 4.793 813 H TYR 105 HN TYR 105 -1.746 -5.125 5.229 814 HA TYR 105 HA TYR 105 0.588 -3.878 3.938 815 HB2 TYR 105 2HB TYR 105 0.279 -6.754 4.844 816 HB3 TYR 105 1HB TYR 105 1.747 -5.996 4.240 817 HD1 TYR 105 1HD TYR 105 -0.643 -6.040 7.072 818 HD2 TYR 105 2HD TYR 105 3.190 -4.796 5.707 819 HE1 TYR 105 1HE TYR 105 -0.026 -5.438 9.373 820 HE2 TYR 105 2HE TYR 105 3.816 -4.187 8.008 821 HH TYR 105 HH TYR 105 1.697 -4.904 10.741 822 H LEU 106 HN LEU 106 0.053 -3.568 1.842 823 HA LEU 106 HA LEU 106 -1.627 -5.528 0.489 824 HB2 LEU 106 2HB LEU 106 -0.660 -2.785 -0.282 825 HB3 LEU 106 1HB LEU 106 -1.443 -3.847 -1.432 826 HG LEU 106 HG LEU 106 -3.424 -3.910 0.156 827 HD11 LEU 106 1HD1 LEU 106 -1.990 -1.560 1.378 828 HD12 LEU 106 2HD1 LEU 106 -2.276 -3.117 2.153 829 HD13 LEU 106 3HD1 LEU 106 -3.639 -2.079 1.737 830 HD21 LEU 106 3HD2 LEU 106 -4.263 -1.715 -0.600 831 HD22 LEU 106 1HD2 LEU 106 -3.485 -2.631 -1.891 832 HD23 LEU 106 2HD2 LEU 106 -2.630 -1.294 -1.121 833 H ILE 107 HN ILE 107 -1.006 -6.859 -1.067 834 HA ILE 107 HA ILE 107 1.808 -6.753 -1.957 835 HB ILE 107 HB ILE 107 0.081 -9.224 -1.673 836 HG12 ILE 107 2HG1 ILE 107 2.421 -8.295 0.005 837 HG13 ILE 107 1HG1 ILE 107 0.735 -8.278 0.509 838 HG21 ILE 107 1HG2 ILE 107 2.180 -10.442 -2.111 839 HG22 ILE 107 2HG2 ILE 107 2.988 -8.902 -2.410 840 HG23 ILE 107 3HG2 ILE 107 1.687 -9.437 -3.474 841 HD11 ILE 107 3HD1 ILE 107 1.923 -10.166 1.462 842 HD12 ILE 107 1HD1 ILE 107 2.357 -10.725 -0.155 843 HD13 ILE 107 2HD1 ILE 107 0.667 -10.712 0.351 844 H ILE 108 HN ILE 108 2.020 -6.312 -4.047 845 HA ILE 108 HA ILE 108 -0.266 -6.798 -5.836 846 HB ILE 108 HB ILE 108 2.134 -5.010 -6.285 847 HG12 ILE 108 2HG1 ILE 108 -0.708 -4.263 -5.558 848 HG13 ILE 108 1HG1 ILE 108 0.653 -4.223 -4.446 849 HG21 ILE 108 1HG2 ILE 108 1.133 -5.863 -8.345 850 HG22 ILE 108 2HG2 ILE 108 0.858 -4.130 -8.164 851 HG23 ILE 108 3HG2 ILE 108 -0.447 -5.269 -7.826 852 HD11 ILE 108 3HD1 ILE 108 0.385 -2.564 -6.939 853 HD12 ILE 108 1HD1 ILE 108 1.725 -2.510 -5.795 854 HD13 ILE 108 2HD1 ILE 108 0.112 -2.006 -5.289 855 H SER 109 HN SER 109 -0.113 -8.406 -7.274 856 HA SER 109 HA SER 109 2.550 -9.558 -7.752 857 HB2 SER 109 2HB SER 109 -0.174 -10.839 -8.040 858 HB3 SER 109 1HB SER 109 1.383 -11.648 -8.229 859 HG SER 109 HG SER 109 1.077 -10.275 -5.862 860 H LEU 110 HN LEU 110 3.418 -9.288 -9.688 861 HA LEU 110 HA LEU 110 1.721 -8.432 -11.905 862 HB2 LEU 110 2HB LEU 110 4.709 -8.418 -11.497 863 HB3 LEU 110 1HB LEU 110 3.972 -8.062 -13.046 864 HG LEU 110 HG LEU 110 4.462 -5.980 -12.063 865 HD11 LEU 110 1HD1 LEU 110 2.283 -6.066 -13.122 866 HD12 LEU 110 2HD1 LEU 110 2.269 -4.947 -11.758 867 HD13 LEU 110 3HD1 LEU 110 1.540 -6.543 -11.593 868 HD21 LEU 110 3HD2 LEU 110 3.737 -5.314 -9.818 869 HD22 LEU 110 1HD2 LEU 110 4.834 -6.693 -9.768 870 HD23 LEU 110 2HD2 LEU 110 3.102 -6.936 -9.544 871 H ALA 111 HN ALA 111 2.037 -11.235 -10.781 872 HA ALA 111 HA ALA 111 3.301 -12.909 -12.623 873 HB1 ALA 111 1HB ALA 111 0.825 -13.426 -10.976 874 HB2 ALA 111 2HB ALA 111 2.495 -13.715 -10.480 875 HB3 ALA 111 3HB ALA 111 1.783 -14.663 -11.788 876 H GLU 112 HN GLU 112 0.237 -11.277 -12.703 877 HA GLU 112 HA GLU 112 -0.180 -12.201 -15.460 878 HB2 GLU 112 2HB GLU 112 -1.862 -13.165 -13.906 879 HB3 GLU 112 1HB GLU 112 -2.334 -11.537 -13.437 880 HG2 GLU 112 2HG GLU 112 -3.855 -12.581 -15.076 881 HG3 GLU 112 1HG GLU 112 -3.140 -11.070 -15.639 882 HA PRO 113 HA PRO 113 0.704 -7.716 -15.407 883 HB2 PRO 113 2HB PRO 113 1.252 -8.213 -18.264 884 HB3 PRO 113 1HB PRO 113 2.275 -7.460 -17.039 885 HG2 PRO 113 2HG PRO 113 2.789 -9.919 -17.965 886 HG3 PRO 113 1HG PRO 113 3.073 -9.489 -16.267 887 HD2 PRO 113 2HD PRO 113 0.812 -11.032 -17.482 888 HD3 PRO 113 1HD PRO 113 1.685 -11.319 -15.962 889 H GLN 114 HN GLN 114 -1.471 -9.511 -17.380 890 HA GLN 114 HA GLN 114 -2.688 -7.115 -18.481 891 HB2 GLN 114 2HB GLN 114 -3.474 -10.020 -18.741 892 HB3 GLN 114 1HB GLN 114 -4.248 -8.688 -19.583 893 HG2 GLN 114 2HG GLN 114 -1.419 -9.647 -19.903 894 HG3 GLN 114 1HG GLN 114 -2.729 -9.758 -21.078 895 HE21 GLN 114 1HE2 GLN 114 -0.087 -8.514 -21.266 896 HE22 GLN 114 2HE2 GLN 114 -0.370 -6.850 -21.677 897 H LYS 115 HN LYS 115 -2.991 -9.147 -15.780 898 HA LYS 115 HA LYS 115 -5.325 -7.658 -14.866 899 HB2 LYS 115 2HB LYS 115 -5.116 -10.675 -14.925 900 HB3 LYS 115 1HB LYS 115 -6.240 -9.814 -13.892 901 HG2 LYS 115 2HG LYS 115 -6.193 -9.604 -16.893 902 HG3 LYS 115 1HG LYS 115 -7.251 -10.682 -15.980 903 HD2 LYS 115 2HD LYS 115 -8.179 -8.695 -14.812 904 HD3 LYS 115 1HD LYS 115 -7.192 -7.667 -15.854 905 HE2 LYS 115 2HE LYS 115 -9.501 -7.847 -16.665 906 HE3 LYS 115 1HE LYS 115 -8.343 -8.512 -17.817 907 HZ1 LYS 115 3HZ LYS 115 -9.897 -10.148 -15.885 908 HZ2 LYS 115 1HZ LYS 115 -8.907 -10.714 -17.139 909 HZ3 LYS 115 2HZ LYS 115 -10.346 -9.901 -17.502 910 HA PRO 116 HA PRO 116 -1.698 -8.030 -11.973 911 HB2 PRO 116 2HB PRO 116 -1.963 -5.486 -10.977 912 HB3 PRO 116 1HB PRO 116 -0.976 -5.912 -12.378 913 HG2 PRO 116 2HG PRO 116 -3.716 -4.733 -12.275 914 HG3 PRO 116 1HG PRO 116 -2.378 -4.370 -13.379 915 HD2 PRO 116 2HD PRO 116 -4.476 -5.922 -14.095 916 HD3 PRO 116 1HD PRO 116 -2.841 -6.179 -14.734 917 H VAL 117 HN VAL 117 -2.247 -9.210 -10.261 918 HA VAL 117 HA VAL 117 -4.700 -8.588 -8.815 919 HB VAL 117 HB VAL 117 -2.800 -10.913 -8.447 920 HG11 VAL 117 1HG1 VAL 117 -4.085 -10.448 -6.439 921 HG12 VAL 117 2HG1 VAL 117 -4.648 -11.938 -7.200 922 HG13 VAL 117 3HG1 VAL 117 -5.581 -10.452 -7.374 923 HG21 VAL 117 3HG2 VAL 117 -3.820 -10.963 -10.653 924 HG22 VAL 117 1HG2 VAL 117 -5.420 -10.759 -9.941 925 HG23 VAL 117 2HG2 VAL 117 -4.501 -12.234 -9.638 926 H CYS 118 HN CYS 118 -4.613 -7.274 -7.162 927 HA CYS 118 HA CYS 118 -2.281 -7.402 -5.377 928 HB2 CYS 118 2HB CYS 118 -3.066 -5.074 -4.653 929 HB3 CYS 118 1HB CYS 118 -2.304 -5.206 -6.235 930 HG CYS 118 HG CYS 118 -4.174 -3.674 -7.149 931 H LYS 119 HN LYS 119 -2.662 -7.837 -3.236 932 HA LYS 119 HA LYS 119 -5.443 -7.673 -2.315 933 HB2 LYS 119 2HB LYS 119 -3.584 -9.997 -1.817 934 HB3 LYS 119 1HB LYS 119 -5.064 -9.729 -0.921 935 HG2 LYS 119 2HG LYS 119 -6.291 -9.824 -3.107 936 HG3 LYS 119 1HG LYS 119 -4.778 -10.354 -3.843 937 HD2 LYS 119 2HD LYS 119 -4.732 -12.324 -2.491 938 HD3 LYS 119 1HD LYS 119 -6.086 -11.753 -1.515 939 HE2 LYS 119 2HE LYS 119 -6.180 -12.481 -4.443 940 HE3 LYS 119 1HE LYS 119 -6.817 -13.443 -3.110 941 HZ1 LYS 119 3HZ LYS 119 -8.568 -12.193 -4.208 942 HZ2 LYS 119 1HZ LYS 119 -7.761 -10.738 -3.897 943 HZ3 LYS 119 2HZ LYS 119 -8.374 -11.657 -2.614 944 H SER 120 HN SER 120 -5.591 -7.669 0.044 945 HA SER 120 HA SER 120 -3.260 -6.344 1.253 946 HB2 SER 120 2HB SER 120 -5.172 -5.253 2.701 947 HB3 SER 120 1HB SER 120 -4.779 -4.597 1.117 948 HG SER 120 HG SER 120 -6.750 -6.596 1.412 949 H PHE 121 HN PHE 121 -2.574 -7.131 3.174 950 HA PHE 121 HA PHE 121 -4.302 -9.123 4.475 951 HB2 PHE 121 2HB PHE 121 -1.317 -9.297 4.031 952 HB3 PHE 121 1HB PHE 121 -2.242 -10.402 5.043 953 HD1 PHE 121 1HD PHE 121 -3.858 -11.942 4.043 954 HD2 PHE 121 2HD PHE 121 -1.371 -9.456 1.650 955 HE1 PHE 121 1HE PHE 121 -4.356 -13.339 2.082 956 HE2 PHE 121 2HE PHE 121 -1.865 -10.848 -0.318 957 HZ PHE 121 HZ PHE 121 -3.359 -12.794 -0.101 958 H LEU 122 HN LEU 122 -4.626 -8.850 6.558 959 HA LEU 122 HA LEU 122 -2.962 -6.933 8.026 960 HB2 LEU 122 2HB LEU 122 -5.472 -8.353 8.936 961 HB3 LEU 122 1HB LEU 122 -4.682 -7.008 9.733 962 HG LEU 122 HG LEU 122 -6.074 -6.893 7.059 963 HD11 LEU 122 1HD1 LEU 122 -6.868 -5.790 9.749 964 HD12 LEU 122 2HD1 LEU 122 -7.616 -7.158 8.925 965 HD13 LEU 122 3HD1 LEU 122 -7.730 -5.541 8.230 966 HD21 LEU 122 3HD2 LEU 122 -4.199 -5.346 7.166 967 HD22 LEU 122 1HD2 LEU 122 -4.794 -4.711 8.700 968 HD23 LEU 122 2HD2 LEU 122 -5.732 -4.476 7.225 969 H ILE 123 HN ILE 123 -1.189 -7.884 8.839 970 HA ILE 123 HA ILE 123 -1.323 -10.726 9.496 971 HB ILE 123 HB ILE 123 1.140 -8.982 9.374 972 HG12 ILE 123 2HG1 ILE 123 -0.010 -10.829 7.263 973 HG13 ILE 123 1HG1 ILE 123 -0.060 -9.071 7.199 974 HG21 ILE 123 1HG2 ILE 123 1.417 -10.999 10.695 975 HG22 ILE 123 2HG2 ILE 123 2.296 -11.151 9.174 976 HG23 ILE 123 3HG2 ILE 123 0.752 -11.974 9.385 977 HD11 ILE 123 3HD1 ILE 123 2.438 -10.750 7.206 978 HD12 ILE 123 1HD1 ILE 123 2.359 -8.992 7.083 979 HD13 ILE 123 2HD1 ILE 123 1.703 -9.996 5.792 980 H LYS 124 HN LYS 124 -1.901 -11.173 11.491 981 HA LYS 124 HA LYS 124 -1.039 -9.373 13.640 982 HB2 LYS 124 2HB LYS 124 -3.323 -11.354 13.598 983 HB3 LYS 124 1HB LYS 124 -2.937 -10.258 14.918 984 HG2 LYS 124 2HG LYS 124 -3.403 -8.347 13.466 985 HG3 LYS 124 1HG LYS 124 -3.788 -9.448 12.145 986 HD2 LYS 124 2HD LYS 124 -5.666 -10.337 13.377 987 HD3 LYS 124 1HD LYS 124 -5.242 -9.361 14.786 988 HE2 LYS 124 2HE LYS 124 -5.619 -7.325 13.462 989 HE3 LYS 124 1HE LYS 124 -6.080 -8.320 12.081 990 HZ1 LYS 124 3HZ LYS 124 -7.959 -9.143 13.290 991 HZ2 LYS 124 1HZ LYS 124 -7.987 -7.448 13.340 992 HZ3 LYS 124 2HZ LYS 124 -7.484 -8.329 14.701 993 H LYS 125 HN LYS 125 -1.105 -10.702 15.801 994 HA LYS 125 HA LYS 125 1.142 -12.381 15.832 995 HB2 LYS 125 2HB LYS 125 0.431 -11.015 17.719 996 HB3 LYS 125 1HB LYS 125 -1.054 -11.922 17.851 997 HG2 LYS 125 2HG LYS 125 0.195 -13.906 18.497 998 HG3 LYS 125 1HG LYS 125 1.707 -13.002 18.360 999 HD2 LYS 125 2HD LYS 125 1.117 -11.565 20.148 1000 HD3 LYS 125 1HD LYS 125 -0.556 -12.123 20.134 1001 HE2 LYS 125 2HE LYS 125 0.207 -14.347 20.857 1002 HE3 LYS 125 1HE LYS 125 1.861 -13.736 20.929 1003 HZ1 LYS 125 3HZ LYS 125 -0.380 -12.571 22.489 1004 HZ2 LYS 125 1HZ LYS 125 1.272 -12.248 22.666 1005 HZ3 LYS 125 2HZ LYS 125 0.656 -13.768 23.094 1006 H ASP 126 HN ASP 126 -2.230 -13.103 16.559 1007 HA ASP 126 HA ASP 126 -1.945 -15.895 16.725 1008 HB2 ASP 126 2HB ASP 126 -4.365 -14.174 16.175 1009 HB3 ASP 126 1HB ASP 126 -4.456 -15.922 16.371 1010 H GLY 127 HN GLY 127 -2.888 -13.839 13.999 1011 HA2 GLY 127 2HA GLY 127 -1.886 -15.670 12.090 1012 HA3 GLY 127 1HA GLY 127 -3.631 -15.839 12.216 1013 H VAL 128 HN VAL 128 -2.859 -15.176 9.840 1014 HA VAL 128 HA VAL 128 -2.910 -12.253 9.603 1015 HB VAL 128 HB VAL 128 -1.149 -13.378 8.338 1016 HG11 VAL 128 1HG1 VAL 128 -3.382 -14.829 6.922 1017 HG12 VAL 128 2HG1 VAL 128 -2.191 -15.545 8.008 1018 HG13 VAL 128 3HG1 VAL 128 -1.680 -14.868 6.461 1019 HG21 VAL 128 3HG2 VAL 128 -2.065 -11.335 7.401 1020 HG22 VAL 128 1HG2 VAL 128 -3.310 -12.258 6.556 1021 HG23 VAL 128 2HG2 VAL 128 -1.616 -12.449 6.109 1022 H ASP 129 HN ASP 129 -4.573 -11.181 8.637 1023 HA ASP 129 HA ASP 129 -6.905 -12.802 7.845 1024 HB2 ASP 129 2HB ASP 129 -7.232 -11.421 9.900 1025 HB3 ASP 129 1HB ASP 129 -6.906 -9.980 8.943 1026 H GLU 130 HN GLU 130 -7.697 -12.530 5.841 1027 HA GLU 130 HA GLU 130 -6.190 -10.822 4.050 1028 HB2 GLU 130 2HB GLU 130 -6.811 -13.193 3.491 1029 HB3 GLU 130 1HB GLU 130 -8.487 -12.670 3.389 1030 HG2 GLU 130 2HG GLU 130 -7.928 -11.166 1.566 1031 HG3 GLU 130 1HG GLU 130 -6.230 -11.627 1.689 1032 H GLU 131 HN GLU 131 -6.806 -8.889 3.401 1033 HA GLU 131 HA GLU 131 -9.502 -7.947 4.063 1034 HB2 GLU 131 2HB GLU 131 -7.443 -6.667 4.811 1035 HB3 GLU 131 1HB GLU 131 -7.120 -6.338 3.119 1036 HG2 GLU 131 2HG GLU 131 -8.206 -4.455 4.200 1037 HG3 GLU 131 1HG GLU 131 -9.211 -5.136 2.921 1038 H GLU 132 HN GLU 132 -10.918 -7.296 2.493 1039 HA GLU 132 HA GLU 132 -10.243 -8.020 -0.235 1040 HB2 GLU 132 2HB GLU 132 -12.678 -7.675 -0.625 1041 HB3 GLU 132 1HB GLU 132 -12.320 -8.896 0.579 1042 HG2 GLU 132 2HG GLU 132 -12.714 -7.124 2.313 1043 HG3 GLU 132 1HG GLU 132 -13.337 -6.108 1.016 1044 H ILE 133 HN ILE 133 -10.404 -6.627 -1.974 1045 HA ILE 133 HA ILE 133 -10.106 -3.791 -1.246 1046 HB ILE 133 HB ILE 133 -8.979 -5.232 -3.654 1047 HG12 ILE 133 2HG1 ILE 133 -7.623 -4.244 -1.134 1048 HG13 ILE 133 1HG1 ILE 133 -7.892 -5.928 -1.568 1049 HG21 ILE 133 1HG2 ILE 133 -7.720 -3.170 -4.039 1050 HG22 ILE 133 2HG2 ILE 133 -8.533 -2.416 -2.667 1051 HG23 ILE 133 3HG2 ILE 133 -9.456 -2.877 -4.098 1052 HD11 ILE 133 3HD1 ILE 133 -6.134 -3.974 -3.033 1053 HD12 ILE 133 1HD1 ILE 133 -6.415 -5.651 -3.500 1054 HD13 ILE 133 2HD1 ILE 133 -5.601 -5.285 -1.979 1055 H ILE 134 HN ILE 134 -11.414 -2.328 -2.097 1056 HA ILE 134 HA ILE 134 -13.337 -3.217 -4.145 1057 HB ILE 134 HB ILE 134 -13.697 -0.933 -2.204 1058 HG12 ILE 134 2HG1 ILE 134 -13.514 -3.020 -0.945 1059 HG13 ILE 134 1HG1 ILE 134 -15.164 -2.413 -0.910 1060 HG21 ILE 134 1HG2 ILE 134 -16.070 -1.149 -2.814 1061 HG22 ILE 134 2HG2 ILE 134 -15.642 -2.406 -3.974 1062 HG23 ILE 134 3HG2 ILE 134 -15.053 -0.758 -4.199 1063 HD11 ILE 134 3HD1 ILE 134 -15.788 -4.051 -2.625 1064 HD12 ILE 134 1HD1 ILE 134 -15.133 -4.813 -1.176 1065 HD13 ILE 134 2HD1 ILE 134 -14.135 -4.667 -2.623 1066 H LEU 135 HN LEU 135 -13.333 -2.172 -6.057 1067 HA LEU 135 HA LEU 135 -11.620 0.171 -6.371 1068 HB2 LEU 135 2HB LEU 135 -13.117 -1.480 -8.409 1069 HB3 LEU 135 1HB LEU 135 -12.086 -0.115 -8.793 1070 HG LEU 135 HG LEU 135 -11.221 -2.744 -7.589 1071 HD11 LEU 135 1HD1 LEU 135 -11.678 -2.828 -9.982 1072 HD12 LEU 135 2HD1 LEU 135 -9.950 -2.971 -9.661 1073 HD13 LEU 135 3HD1 LEU 135 -10.614 -1.444 -10.240 1074 HD21 LEU 135 3HD2 LEU 135 -8.947 -1.859 -7.717 1075 HD22 LEU 135 1HD2 LEU 135 -9.946 -0.918 -6.609 1076 HD23 LEU 135 2HD2 LEU 135 -9.585 -0.292 -8.217 1077 H LYS 136 HN LYS 136 -12.357 2.173 -6.484 1078 HA LYS 136 HA LYS 136 -15.237 2.584 -6.957 1079 HB2 LYS 136 2HB LYS 136 -13.477 3.583 -4.821 1080 HB3 LYS 136 1HB LYS 136 -14.485 4.811 -5.571 1081 HG2 LYS 136 2HG LYS 136 -16.472 3.430 -5.093 1082 HG3 LYS 136 1HG LYS 136 -15.431 2.259 -4.278 1083 HD2 LYS 136 2HD LYS 136 -14.754 3.958 -2.668 1084 HD3 LYS 136 1HD LYS 136 -15.741 5.159 -3.504 1085 HE2 LYS 136 2HE LYS 136 -16.808 2.646 -2.226 1086 HE3 LYS 136 1HE LYS 136 -16.805 4.235 -1.464 1087 HZ1 LYS 136 3HZ LYS 136 -18.177 5.038 -3.343 1088 HZ2 LYS 136 1HZ LYS 136 -18.938 3.833 -2.419 1089 HZ3 LYS 136 2HZ LYS 136 -18.266 3.449 -3.926 1090 H GLU 137 HN GLU 137 -15.777 4.752 -7.780 1091 HA GLU 137 HA GLU 137 -13.736 5.689 -9.678 1092 HB2 GLU 137 2HB GLU 137 -16.440 5.019 -10.000 1093 HB3 GLU 137 1HB GLU 137 -16.381 6.771 -10.108 1094 HG2 GLU 137 2HG GLU 137 -16.176 5.713 -12.295 1095 HG3 GLU 137 1HG GLU 137 -14.739 6.646 -11.875 1096 H GLU 138 HN GLU 138 -15.236 6.429 -6.820 1097 HA GLU 138 HA GLU 138 -15.096 9.328 -7.153 1098 HB2 GLU 138 2HB GLU 138 -16.220 9.417 -4.959 1099 HB3 GLU 138 1HB GLU 138 -17.125 8.462 -6.123 1100 HG2 GLU 138 2HG GLU 138 -16.059 6.423 -5.110 1101 HG3 GLU 138 1HG GLU 138 -15.439 7.475 -3.841 1102 H LEU 139 HN LEU 139 -13.825 10.624 -5.833 1103 HA LEU 139 HA LEU 139 -11.526 9.253 -4.632 1104 HB2 LEU 139 2HB LEU 139 -11.835 12.022 -5.787 1105 HB3 LEU 139 1HB LEU 139 -10.428 11.519 -4.877 1106 HG LEU 139 HG LEU 139 -11.353 10.255 -7.456 1107 HD11 LEU 139 1HD1 LEU 139 -9.066 12.140 -6.913 1108 HD12 LEU 139 2HD1 LEU 139 -10.549 12.542 -7.776 1109 HD13 LEU 139 3HD1 LEU 139 -9.428 11.362 -8.455 1110 HD21 LEU 139 3HD2 LEU 139 -9.155 9.154 -7.399 1111 HD22 LEU 139 1HD2 LEU 139 -10.162 8.689 -6.029 1112 HD23 LEU 139 2HD2 LEU 139 -8.857 9.856 -5.808 1113 H GLU 140 HN GLU 140 -10.454 10.986 -3.002 1114 HA GLU 140 HA GLU 140 -12.035 11.157 -0.713 1115 HB2 GLU 140 2HB GLU 140 -9.658 11.253 -0.497 1116 HB3 GLU 140 1HB GLU 140 -9.548 12.635 -1.576 1117 HG2 GLU 140 2HG GLU 140 -9.171 13.354 0.672 1118 HG3 GLU 140 1HG GLU 140 -10.705 14.007 0.107 1119 H HIS 141 HN HIS 141 -13.164 12.849 0.240 1120 HA HIS 141 HA HIS 141 -14.575 14.524 -1.605 1121 HB2 HIS 141 2HB HIS 141 -14.637 14.353 1.413 1122 HB3 HIS 141 1HB HIS 141 -15.697 15.401 0.474 1123 HD1 HIS 141 1HD HIS 141 -17.793 14.378 -0.448 1124 HD2 HIS 141 2HD HIS 141 -15.093 11.527 0.931 1125 HE1 HIS 141 1HE HIS 141 -19.009 12.176 -0.555 1126 HE2 HIS 141 2HE HIS 141 -17.288 10.450 0.079 1127 H HIS 142 HN HIS 142 -11.667 14.866 0.031 1128 HA HIS 142 HA HIS 142 -11.725 17.770 0.057 1129 HB2 HIS 142 2HB HIS 142 -9.629 15.743 0.830 1130 HB3 HIS 142 1HB HIS 142 -9.258 17.461 0.712 1131 HD1 HIS 142 1HD HIS 142 -8.779 17.605 3.243 1132 HD2 HIS 142 2HD HIS 142 -12.658 16.424 2.311 1133 HE1 HIS 142 1HE HIS 142 -10.086 17.808 5.379 1134 HE2 HIS 142 2HE HIS 142 -12.474 17.345 4.723 1135 H HIS 143 HN HIS 143 -11.359 15.431 -2.210 1136 HA HIS 143 HA HIS 143 -9.732 17.185 -3.928 1137 HB2 HIS 143 2HB HIS 143 -10.273 14.213 -4.129 1138 HB3 HIS 143 1HB HIS 143 -9.514 15.149 -5.408 1139 HD1 HIS 143 1HD HIS 143 -7.037 15.526 -5.242 1140 HD2 HIS 143 2HD HIS 143 -8.668 14.009 -1.727 1141 HE1 HIS 143 1HE HIS 143 -5.077 14.935 -3.779 1142 HE2 HIS 143 2HE HIS 143 -6.086 13.782 -1.773 1143 H HIS 144 HN HIS 144 -11.184 18.522 -4.823 1144 HA HIS 144 HA HIS 144 -13.903 17.751 -5.285 1145 HB2 HIS 144 2HB HIS 144 -14.217 20.053 -6.053 1146 HB3 HIS 144 1HB HIS 144 -13.333 20.012 -4.534 1147 HD1 HIS 144 1HD HIS 144 -13.132 21.224 -7.992 1148 HD2 HIS 144 2HD HIS 144 -10.506 20.584 -4.831 1149 HE1 HIS 144 1HE HIS 144 -11.028 22.467 -8.592 1150 HE2 HIS 144 2HE HIS 144 -9.386 21.868 -6.777 1151 H HIS 145 HN HIS 145 -11.710 16.466 -6.877 1152 HA HIS 145 HA HIS 145 -11.501 15.503 -8.913 1153 HB2 HIS 145 2HB HIS 145 -13.994 15.345 -8.802 1154 HB3 HIS 145 1HB HIS 145 -14.088 16.881 -9.655 1155 HD1 HIS 145 1HD HIS 145 -13.135 16.861 -12.169 1156 HD2 HIS 145 2HD HIS 145 -13.676 13.143 -10.387 1157 HE1 HIS 145 1HE HIS 145 -13.124 15.200 -14.052 1158 HE2 HIS 145 2HE HIS 145 -13.581 12.969 -12.965 1159 H HIS 146 HN HIS 146 -10.120 16.030 -10.434 1160 HA HIS 146 HA HIS 146 -10.185 18.776 -11.496 1161 HB2 HIS 146 2HB HIS 146 -8.123 18.310 -10.236 1162 HB3 HIS 146 1HB HIS 146 -7.819 16.899 -11.244 1163 HD1 HIS 146 1HD HIS 146 -6.748 17.282 -13.517 1164 HD2 HIS 146 2HD HIS 146 -7.705 20.811 -11.531 1165 HE1 HIS 146 1HE HIS 146 -5.645 19.121 -14.832 1166 HE2 HIS 146 2HE HIS 146 -6.140 21.237 -13.553 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -12.626 -3.056 5.814 2 H2 MET 1 H2 MET 1 -14.026 -3.948 5.496 3 H3 MET 1 H3 MET 1 -14.025 -2.268 5.267 4 HA MET 1 HA MET 1 -12.414 -4.245 3.753 5 HB2 MET 1 2HB MET 1 -13.846 -3.856 1.882 6 HB3 MET 1 1HB MET 1 -14.877 -4.236 3.251 7 HG2 MET 1 2HG MET 1 -14.319 -1.460 2.229 8 HG3 MET 1 1HG MET 1 -15.748 -2.415 1.844 9 HE1 MET 1 2HE MET 1 -17.111 0.395 4.235 10 HE2 MET 1 3HE MET 1 -17.243 -0.354 2.643 11 HE3 MET 1 1HE MET 1 -15.798 0.559 3.068 12 H ILE 2 HN ILE 2 -11.410 -3.267 1.811 13 HA ILE 2 HA ILE 2 -10.593 -0.489 2.358 14 HB ILE 2 HB ILE 2 -8.662 -1.810 2.660 15 HG12 ILE 2 2HG1 ILE 2 -8.635 -0.732 -0.165 16 HG13 ILE 2 1HG1 ILE 2 -8.245 0.163 1.297 17 HG21 ILE 2 1HG2 ILE 2 -7.886 -3.510 1.103 18 HG22 ILE 2 2HG2 ILE 2 -9.287 -3.219 0.072 19 HG23 ILE 2 3HG2 ILE 2 -9.506 -3.882 1.691 20 HD11 ILE 2 3HD1 ILE 2 -6.690 -2.169 0.199 21 HD12 ILE 2 1HD1 ILE 2 -6.294 -1.248 1.650 22 HD13 ILE 2 2HD1 ILE 2 -6.245 -0.467 0.068 23 H THR 3 HN THR 3 -10.890 0.988 0.822 24 HA THR 3 HA THR 3 -11.580 0.062 -1.881 25 HB THR 3 HB THR 3 -12.697 2.544 -0.563 26 HG1 THR 3 1HG THR 3 -13.493 -0.106 -0.452 27 HG21 THR 3 3HG2 THR 3 -12.610 2.596 -3.012 28 HG22 THR 3 1HG2 THR 3 -14.273 2.516 -2.427 29 HG23 THR 3 2HG2 THR 3 -13.495 1.071 -3.073 30 H LEU 4 HN LEU 4 -10.404 0.901 -3.478 31 HA LEU 4 HA LEU 4 -9.206 3.531 -3.157 32 HB2 LEU 4 2HB LEU 4 -7.055 2.687 -4.172 33 HB3 LEU 4 1HB LEU 4 -7.345 2.254 -2.504 34 HG LEU 4 HG LEU 4 -8.257 0.024 -3.536 35 HD11 LEU 4 1HD1 LEU 4 -7.081 -0.626 -5.573 36 HD12 LEU 4 2HD1 LEU 4 -6.414 1.002 -5.712 37 HD13 LEU 4 3HD1 LEU 4 -8.152 0.744 -5.859 38 HD21 LEU 4 3HD2 LEU 4 -6.004 -0.929 -3.377 39 HD22 LEU 4 1HD2 LEU 4 -6.341 0.190 -2.055 40 HD23 LEU 4 2HD2 LEU 4 -5.321 0.696 -3.402 41 H THR 5 HN THR 5 -8.314 4.279 -5.326 42 HA THR 5 HA THR 5 -10.462 3.663 -7.213 43 HB THR 5 HB THR 5 -10.062 5.811 -8.199 44 HG1 THR 5 1HG THR 5 -8.286 7.118 -7.236 45 HG21 THR 5 3HG2 THR 5 -11.335 5.846 -6.130 46 HG22 THR 5 1HG2 THR 5 -10.339 7.296 -6.244 47 HG23 THR 5 2HG2 THR 5 -9.847 5.968 -5.190 48 H LYS 6 HN LYS 6 -9.902 3.796 -9.565 49 HA LYS 6 HA LYS 6 -7.865 2.007 -10.271 50 HB2 LYS 6 2HB LYS 6 -9.496 3.975 -11.852 51 HB3 LYS 6 1HB LYS 6 -8.246 3.005 -12.612 52 HG2 LYS 6 2HG LYS 6 -9.395 0.968 -11.766 53 HG3 LYS 6 1HG LYS 6 -10.698 2.008 -11.187 54 HD2 LYS 6 2HD LYS 6 -11.148 2.754 -13.449 55 HD3 LYS 6 1HD LYS 6 -9.783 1.808 -14.055 56 HE2 LYS 6 2HE LYS 6 -10.879 -0.248 -13.306 57 HE3 LYS 6 1HE LYS 6 -12.237 0.697 -12.696 58 HZ1 LYS 6 3HZ LYS 6 -11.385 0.447 -15.533 59 HZ2 LYS 6 1HZ LYS 6 -12.622 1.471 -14.982 60 HZ3 LYS 6 2HZ LYS 6 -12.784 -0.207 -14.825 61 H LYS 7 HN LYS 7 -7.953 5.511 -10.115 62 HA LYS 7 HA LYS 7 -5.479 6.131 -11.203 63 HB2 LYS 7 2HB LYS 7 -7.008 7.874 -10.677 64 HB3 LYS 7 1HB LYS 7 -7.128 7.370 -9.002 65 HG2 LYS 7 2HG LYS 7 -4.930 8.141 -8.538 66 HG3 LYS 7 1HG LYS 7 -4.625 8.433 -10.249 67 HD2 LYS 7 2HD LYS 7 -6.085 10.273 -10.309 68 HD3 LYS 7 1HD LYS 7 -6.847 9.821 -8.783 69 HE2 LYS 7 2HE LYS 7 -5.262 11.789 -8.705 70 HE3 LYS 7 1HE LYS 7 -4.978 10.509 -7.530 71 HZ1 LYS 7 3HZ LYS 7 -3.517 10.630 -10.107 72 HZ2 LYS 7 1HZ LYS 7 -3.130 9.735 -8.717 73 HZ3 LYS 7 2HZ LYS 7 -2.964 11.422 -8.713 74 H GLN 8 HN GLN 8 -6.332 5.382 -7.823 75 HA GLN 8 HA GLN 8 -3.706 5.496 -6.808 76 HB2 GLN 8 2HB GLN 8 -5.917 3.702 -5.787 77 HB3 GLN 8 1HB GLN 8 -4.536 4.308 -4.883 78 HG2 GLN 8 2HG GLN 8 -6.894 5.869 -5.895 79 HG3 GLN 8 1HG GLN 8 -6.454 5.544 -4.223 80 HE21 GLN 8 1HE2 GLN 8 -4.695 6.641 -3.322 81 HE22 GLN 8 2HE2 GLN 8 -4.102 8.111 -4.005 82 H MET 9 HN MET 9 -5.594 2.801 -8.130 83 HA MET 9 HA MET 9 -3.698 0.768 -7.792 84 HB2 MET 9 2HB MET 9 -6.030 0.385 -8.522 85 HB3 MET 9 1HB MET 9 -5.662 1.134 -10.068 86 HG2 MET 9 2HG MET 9 -5.654 -1.250 -10.308 87 HG3 MET 9 1HG MET 9 -4.014 -0.633 -10.511 88 HE1 MET 9 3HE MET 9 -5.551 -2.790 -6.736 89 HE2 MET 9 1HE MET 9 -6.511 -2.557 -8.199 90 HE3 MET 9 2HE MET 9 -6.072 -1.172 -7.196 91 H GLU 10 HN GLU 10 -4.208 3.007 -10.489 92 HA GLU 10 HA GLU 10 -2.124 2.150 -12.137 93 HB2 GLU 10 2HB GLU 10 -3.709 4.666 -11.803 94 HB3 GLU 10 1HB GLU 10 -2.358 4.640 -12.909 95 HG2 GLU 10 2HG GLU 10 -4.604 2.660 -13.035 96 HG3 GLU 10 1HG GLU 10 -4.618 4.190 -13.909 97 H GLU 11 HN GLU 11 -2.206 4.574 -9.548 98 HA GLU 11 HA GLU 11 0.405 5.541 -9.883 99 HB2 GLU 11 2HB GLU 11 -1.656 5.598 -7.753 100 HB3 GLU 11 1HB GLU 11 -0.012 5.959 -7.267 101 HG2 GLU 11 2HG GLU 11 0.065 7.687 -9.055 102 HG3 GLU 11 1HG GLU 11 -1.646 7.378 -9.349 103 H MET 12 HN MET 12 -0.878 2.897 -7.897 104 HA MET 12 HA MET 12 1.630 2.196 -6.754 105 HB2 MET 12 2HB MET 12 -0.903 0.587 -7.111 106 HB3 MET 12 1HB MET 12 0.490 0.036 -6.192 107 HG2 MET 12 2HG MET 12 0.239 1.964 -4.689 108 HG3 MET 12 1HG MET 12 -1.193 2.460 -5.589 109 HE1 MET 12 3HE MET 12 -3.619 -0.560 -4.898 110 HE2 MET 12 1HE MET 12 -2.466 -0.453 -6.227 111 HE3 MET 12 2HE MET 12 -3.401 0.965 -5.755 112 H LEU 13 HN LEU 13 -0.206 0.981 -9.526 113 HA LEU 13 HA LEU 13 1.553 -1.050 -10.310 114 HB2 LEU 13 2HB LEU 13 -0.409 0.640 -11.835 115 HB3 LEU 13 1HB LEU 13 0.516 -0.625 -12.615 116 HG LEU 13 HG LEU 13 -1.457 -0.988 -10.361 117 HD11 LEU 13 1HD1 LEU 13 -2.507 -0.518 -12.508 118 HD12 LEU 13 2HD1 LEU 13 -2.776 -2.192 -12.026 119 HD13 LEU 13 3HD1 LEU 13 -1.574 -1.811 -13.260 120 HD21 LEU 13 3HD2 LEU 13 -1.079 -3.372 -10.620 121 HD22 LEU 13 1HD2 LEU 13 0.425 -2.557 -10.196 122 HD23 LEU 13 2HD2 LEU 13 0.137 -3.066 -11.859 123 H ALA 14 HN ALA 14 1.465 2.386 -11.150 124 HA ALA 14 HA ALA 14 3.503 2.356 -13.076 125 HB1 ALA 14 1HB ALA 14 1.985 4.257 -12.748 126 HB2 ALA 14 2HB ALA 14 3.677 4.753 -12.703 127 HB3 ALA 14 3HB ALA 14 2.764 4.602 -11.202 128 H HIS 15 HN HIS 15 3.624 2.876 -9.564 129 HA HIS 15 HA HIS 15 6.397 3.333 -9.389 130 HB2 HIS 15 2HB HIS 15 4.834 3.848 -7.560 131 HB3 HIS 15 1HB HIS 15 4.542 2.134 -7.316 132 HD1 HIS 15 1HD HIS 15 7.685 4.317 -7.435 133 HD2 HIS 15 2HD HIS 15 5.942 1.277 -5.190 134 HE1 HIS 15 1HE HIS 15 9.314 3.820 -5.581 135 HE2 HIS 15 2HE HIS 15 8.122 2.157 -4.109 136 H ALA 16 HN ALA 16 4.476 0.388 -9.199 137 HA ALA 16 HA ALA 16 6.506 -1.421 -8.541 138 HB1 ALA 16 1HB ALA 16 4.128 -1.986 -8.462 139 HB2 ALA 16 2HB ALA 16 5.026 -3.143 -9.443 140 HB3 ALA 16 3HB ALA 16 4.041 -1.906 -10.222 141 H ARG 17 HN ARG 17 5.249 -0.516 -11.742 142 HA ARG 17 HA ARG 17 7.067 -2.132 -13.194 143 HB2 ARG 17 2HB ARG 17 5.503 0.296 -14.108 144 HB3 ARG 17 1HB ARG 17 6.296 -0.868 -15.163 145 HG2 ARG 17 2HG ARG 17 4.829 -2.635 -14.324 146 HG3 ARG 17 1HG ARG 17 4.038 -1.471 -13.263 147 HD2 ARG 17 2HD ARG 17 3.444 -0.155 -15.323 148 HD3 ARG 17 1HD ARG 17 4.025 -1.522 -16.274 149 HE ARG 17 HE ARG 17 1.919 -1.929 -14.273 150 HH11 ARG 17 1HH1 ARG 17 2.941 -1.925 -17.621 151 HH12 ARG 17 2HH1 ARG 17 1.522 -2.746 -18.184 152 HH21 ARG 17 1HH2 ARG 17 0.046 -3.010 -15.016 153 HH22 ARG 17 2HH2 ARG 17 -0.127 -3.382 -16.706 154 H GLN 18 HN GLN 18 7.171 1.145 -12.010 155 HA GLN 18 HA GLN 18 9.383 2.099 -13.453 156 HB2 GLN 18 2HB GLN 18 7.885 3.572 -12.240 157 HB3 GLN 18 1HB GLN 18 8.335 2.828 -10.716 158 HG2 GLN 18 2HG GLN 18 10.624 3.666 -11.007 159 HG3 GLN 18 1HG GLN 18 10.121 4.455 -12.503 160 HE21 GLN 18 1HE2 GLN 18 8.816 6.260 -12.409 161 HE22 GLN 18 2HE2 GLN 18 8.538 7.141 -10.943 162 H ALA 19 HN ALA 19 9.119 0.337 -10.421 163 HA ALA 19 HA ALA 19 12.006 0.559 -9.994 164 HB1 ALA 19 1HB ALA 19 10.535 1.181 -8.144 165 HB2 ALA 19 2HB ALA 19 11.567 -0.186 -7.727 166 HB3 ALA 19 3HB ALA 19 9.869 -0.451 -8.123 167 H LEU 20 HN LEU 20 10.392 -1.438 -11.823 168 HA LEU 20 HA LEU 20 10.908 -4.018 -10.836 169 HB2 LEU 20 2HB LEU 20 10.627 -2.955 -13.641 170 HB3 LEU 20 1HB LEU 20 10.886 -4.652 -13.305 171 HG LEU 20 HG LEU 20 8.520 -3.013 -12.402 172 HD11 LEU 20 1HD1 LEU 20 8.773 -5.209 -14.452 173 HD12 LEU 20 2HD1 LEU 20 8.465 -3.503 -14.777 174 HD13 LEU 20 3HD1 LEU 20 7.261 -4.471 -13.923 175 HD21 LEU 20 3HD2 LEU 20 9.118 -4.701 -10.749 176 HD22 LEU 20 1HD2 LEU 20 9.137 -5.940 -12.005 177 HD23 LEU 20 2HD2 LEU 20 7.624 -5.139 -11.578 178 HA PRO 21 HA PRO 21 11.471 -5.910 -11.632 179 HB2 PRO 21 2HB PRO 21 13.087 -7.983 -11.245 180 HB3 PRO 21 1HB PRO 21 12.961 -7.221 -12.835 181 HG2 PRO 21 2HG PRO 21 15.125 -7.014 -10.801 182 HG3 PRO 21 1HG PRO 21 15.237 -6.991 -12.568 183 HD2 PRO 21 2HD PRO 21 15.224 -4.756 -10.833 184 HD3 PRO 21 1HD PRO 21 15.108 -4.732 -12.602 185 H ASN 22 HN ASN 22 12.380 -4.125 -9.388 186 HA ASN 22 HA ASN 22 12.630 -5.933 -7.133 187 HB2 ASN 22 2HB ASN 22 12.355 -2.934 -7.352 188 HB3 ASN 22 1HB ASN 22 12.305 -3.763 -5.801 189 HD21 ASN 22 1HD2 ASN 22 14.333 -4.816 -8.448 190 HD22 ASN 22 2HD2 ASN 22 15.840 -4.373 -7.721 191 H GLU 23 HN GLU 23 10.968 -4.995 -5.223 192 HA GLU 23 HA GLU 23 8.408 -5.892 -6.249 193 HB2 GLU 23 2HB GLU 23 7.842 -5.791 -3.705 194 HB3 GLU 23 1HB GLU 23 8.838 -7.089 -4.338 195 HG2 GLU 23 2HG GLU 23 9.734 -6.253 -2.258 196 HG3 GLU 23 1HG GLU 23 10.844 -5.927 -3.586 197 H ALA 24 HN ALA 24 9.930 -3.045 -5.250 198 HA ALA 24 HA ALA 24 9.322 -0.868 -5.206 199 HB1 ALA 24 1HB ALA 24 6.861 -1.785 -6.679 200 HB2 ALA 24 2HB ALA 24 8.401 -1.349 -7.423 201 HB3 ALA 24 3HB ALA 24 7.459 -0.130 -6.566 202 H CYS 25 HN CYS 25 9.044 -0.394 -3.097 203 HA CYS 25 HA CYS 25 6.409 -0.954 -1.915 204 HB2 CYS 25 2HB CYS 25 8.337 -2.113 -0.852 205 HB3 CYS 25 1HB CYS 25 9.063 -0.549 -0.509 206 HG CYS 25 HG CYS 25 7.983 -0.300 1.795 207 H GLY 26 HN GLY 26 5.804 0.613 -0.176 208 HA2 GLY 26 2HA GLY 26 6.836 3.239 -0.106 209 HA3 GLY 26 1HA GLY 26 5.466 3.171 -1.206 210 H LEU 27 HN LEU 27 4.403 4.622 0.324 211 HA LEU 27 HA LEU 27 3.197 3.066 2.516 212 HB2 LEU 27 2HB LEU 27 3.905 5.999 2.471 213 HB3 LEU 27 1HB LEU 27 2.869 5.270 3.682 214 HG LEU 27 HG LEU 27 5.761 4.538 3.208 215 HD11 LEU 27 1HD1 LEU 27 4.461 6.184 5.375 216 HD12 LEU 27 2HD1 LEU 27 5.573 6.765 4.135 217 HD13 LEU 27 3HD1 LEU 27 6.141 5.647 5.375 218 HD21 LEU 27 3HD2 LEU 27 3.830 3.686 5.367 219 HD22 LEU 27 1HD2 LEU 27 5.543 3.273 5.287 220 HD23 LEU 27 2HD2 LEU 27 4.432 2.671 4.055 221 H LEU 28 HN LEU 28 1.001 3.543 2.983 222 HA LEU 28 HA LEU 28 -0.415 4.776 0.717 223 HB2 LEU 28 2HB LEU 28 -1.182 2.502 2.527 224 HB3 LEU 28 1HB LEU 28 -2.354 3.340 1.529 225 HG LEU 28 HG LEU 28 0.058 1.837 0.508 226 HD11 LEU 28 1HD1 LEU 28 -1.587 0.254 -0.356 227 HD12 LEU 28 2HD1 LEU 28 -2.876 1.164 0.433 228 HD13 LEU 28 3HD1 LEU 28 -1.644 0.355 1.403 229 HD21 LEU 28 3HD2 LEU 28 -2.189 3.212 -0.960 230 HD22 LEU 28 1HD2 LEU 28 -0.971 2.175 -1.701 231 HD23 LEU 28 2HD2 LEU 28 -0.494 3.695 -0.946 232 H GLY 29 HN GLY 29 -1.932 6.309 1.106 233 HA2 GLY 29 2HA GLY 29 -2.464 6.964 3.926 234 HA3 GLY 29 1HA GLY 29 -1.970 8.208 2.790 235 H GLY 30 HN GLY 30 -4.354 8.219 4.288 236 HA2 GLY 30 2HA GLY 30 -6.185 9.158 2.504 237 HA3 GLY 30 1HA GLY 30 -6.528 7.435 2.583 238 H ARG 31 HN ARG 31 -8.497 7.621 3.563 239 HA ARG 31 HA ARG 31 -8.508 8.878 6.225 240 HB2 ARG 31 2HB ARG 31 -10.688 8.545 4.178 241 HB3 ARG 31 1HB ARG 31 -11.025 8.958 5.852 242 HG2 ARG 31 2HG ARG 31 -9.869 11.019 5.668 243 HG3 ARG 31 1HG ARG 31 -9.196 10.574 4.098 244 HD2 ARG 31 2HD ARG 31 -11.270 10.773 3.030 245 HD3 ARG 31 1HD ARG 31 -12.154 10.737 4.553 246 HE ARG 31 HE ARG 31 -11.005 12.983 4.951 247 HH11 ARG 31 1HH1 ARG 31 -11.637 11.806 1.720 248 HH12 ARG 31 2HH1 ARG 31 -12.151 13.359 1.113 249 HH21 ARG 31 1HH2 ARG 31 -11.618 15.047 4.143 250 HH22 ARG 31 2HH2 ARG 31 -12.136 15.203 2.493 251 H ARG 32 HN ARG 32 -8.896 7.627 7.930 252 HA ARG 32 HA ARG 32 -10.089 4.981 7.446 253 HB2 ARG 32 2HB ARG 32 -7.707 4.939 8.206 254 HB3 ARG 32 1HB ARG 32 -8.205 5.721 9.697 255 HG2 ARG 32 2HG ARG 32 -9.488 3.823 10.350 256 HG3 ARG 32 1HG ARG 32 -9.294 3.076 8.763 257 HD2 ARG 32 2HD ARG 32 -6.814 3.042 9.208 258 HD3 ARG 32 1HD ARG 32 -7.182 3.524 10.864 259 HE ARG 32 HE ARG 32 -8.729 1.290 10.345 260 HH11 ARG 32 1HH1 ARG 32 -5.304 2.057 10.409 261 HH12 ARG 32 2HH1 ARG 32 -4.834 0.457 10.913 262 HH21 ARG 32 1HH2 ARG 32 -8.112 -0.808 11.010 263 HH22 ARG 32 2HH2 ARG 32 -6.425 -1.161 11.247 264 H ASP 33 HN ASP 33 -11.999 4.674 8.317 265 HA ASP 33 HA ASP 33 -12.822 6.376 10.579 266 HB2 ASP 33 2HB ASP 33 -13.692 7.350 8.451 267 HB3 ASP 33 1HB ASP 33 -14.554 5.842 8.153 268 H GLY 34 HN GLY 34 -14.115 5.368 12.081 269 HA2 GLY 34 2HA GLY 34 -14.800 3.513 13.276 270 HA3 GLY 34 1HA GLY 34 -15.091 2.706 11.733 271 H ASP 35 HN ASP 35 -13.712 1.112 11.155 272 HA ASP 35 HA ASP 35 -10.907 1.482 11.969 273 HB2 ASP 35 2HB ASP 35 -12.186 -0.473 13.141 274 HB3 ASP 35 1HB ASP 35 -12.015 -1.288 11.588 275 H ASP 36 HN ASP 36 -13.110 1.351 9.505 276 HA ASP 36 HA ASP 36 -11.590 -0.090 7.547 277 HB2 ASP 36 2HB ASP 36 -13.808 1.891 7.068 278 HB3 ASP 36 1HB ASP 36 -13.174 0.748 5.907 279 H ARG 37 HN ARG 37 -10.549 0.760 5.793 280 HA ARG 37 HA ARG 37 -9.546 3.487 6.103 281 HB2 ARG 37 2HB ARG 37 -7.256 2.298 5.390 282 HB3 ARG 37 1HB ARG 37 -7.727 2.535 7.065 283 HG2 ARG 37 2HG ARG 37 -7.075 0.336 7.078 284 HG3 ARG 37 1HG ARG 37 -8.810 0.178 6.808 285 HD2 ARG 37 2HD ARG 37 -7.836 -1.285 5.266 286 HD3 ARG 37 1HD ARG 37 -8.235 0.149 4.318 287 HE ARG 37 HE ARG 37 -5.538 -0.600 5.250 288 HH11 ARG 37 1HH1 ARG 37 -7.643 1.232 3.132 289 HH12 ARG 37 2HH1 ARG 37 -6.356 1.740 2.083 290 HH21 ARG 37 1HH2 ARG 37 -3.838 0.072 3.880 291 HH22 ARG 37 2HH2 ARG 37 -4.185 1.062 2.498 292 H TRP 38 HN TRP 38 -9.684 4.592 4.278 293 HA TRP 38 HA TRP 38 -9.809 3.070 1.754 294 HB2 TRP 38 2HB TRP 38 -11.087 5.738 2.395 295 HB3 TRP 38 1HB TRP 38 -11.254 4.838 0.888 296 HD1 TRP 38 1HD TRP 38 -12.516 2.363 1.159 297 HE1 TRP 38 1HE TRP 38 -14.490 1.729 2.675 298 HE3 TRP 38 3HE TRP 38 -12.205 6.186 4.527 299 HZ2 TRP 38 2HZ TRP 38 -15.746 2.711 5.001 300 HZ3 TRP 38 3HZ TRP 38 -13.827 6.261 6.373 301 HH2 TRP 38 2HH TRP 38 -15.559 4.560 6.605 302 H VAL 39 HN VAL 39 -8.457 3.605 0.126 303 HA VAL 39 HA VAL 39 -6.225 5.315 0.868 304 HB VAL 39 HB VAL 39 -6.570 3.616 -1.609 305 HG11 VAL 39 1HG1 VAL 39 -4.108 4.865 -0.396 306 HG12 VAL 39 2HG1 VAL 39 -4.921 5.396 -1.868 307 HG13 VAL 39 3HG1 VAL 39 -4.141 3.814 -1.812 308 HG21 VAL 39 3HG2 VAL 39 -6.635 2.242 0.405 309 HG22 VAL 39 1HG2 VAL 39 -5.138 2.984 0.969 310 HG23 VAL 39 2HG2 VAL 39 -5.132 1.985 -0.484 311 H GLU 40 HN GLU 40 -6.378 7.423 0.418 312 HA GLU 40 HA GLU 40 -7.470 8.167 -2.210 313 HB2 GLU 40 2HB GLU 40 -7.495 9.824 0.319 314 HB3 GLU 40 1HB GLU 40 -8.104 10.342 -1.249 315 HG2 GLU 40 2HG GLU 40 -9.627 8.269 -1.099 316 HG3 GLU 40 1HG GLU 40 -9.210 8.274 0.611 317 H ARG 41 HN ARG 41 -4.668 7.782 -0.584 318 HA ARG 41 HA ARG 41 -3.303 9.380 -2.585 319 HB2 ARG 41 2HB ARG 41 -3.432 10.932 -0.694 320 HB3 ARG 41 1HB ARG 41 -2.699 9.730 0.360 321 HG2 ARG 41 2HG ARG 41 -0.910 11.097 -0.156 322 HG3 ARG 41 1HG ARG 41 -0.737 9.786 -1.320 323 HD2 ARG 41 2HD ARG 41 -1.707 12.593 -1.772 324 HD3 ARG 41 1HD ARG 41 -0.378 11.747 -2.558 325 HE ARG 41 HE ARG 41 -3.217 11.560 -3.193 326 HH11 ARG 41 1HH1 ARG 41 0.021 10.323 -3.781 327 HH12 ARG 41 2HH1 ARG 41 -0.412 9.588 -5.300 328 HH21 ARG 41 1HH2 ARG 41 -3.765 10.605 -5.161 329 HH22 ARG 41 2HH2 ARG 41 -2.560 9.753 -6.094 330 H VAL 42 HN VAL 42 -1.522 8.417 -3.345 331 HA VAL 42 HA VAL 42 -0.460 6.088 -1.889 332 HB VAL 42 HB VAL 42 -0.221 6.759 -4.835 333 HG11 VAL 42 1HG1 VAL 42 0.650 4.300 -3.332 334 HG12 VAL 42 2HG1 VAL 42 1.712 5.530 -4.016 335 HG13 VAL 42 3HG1 VAL 42 0.726 4.525 -5.078 336 HG21 VAL 42 3HG2 VAL 42 -1.702 4.846 -5.200 337 HG22 VAL 42 1HG2 VAL 42 -2.487 6.103 -4.245 338 HG23 VAL 42 2HG2 VAL 42 -1.873 4.651 -3.455 339 H TYR 43 HN TYR 43 1.707 6.063 -1.339 340 HA TYR 43 HA TYR 43 3.320 8.343 -2.244 341 HB2 TYR 43 2HB TYR 43 2.358 8.001 0.396 342 HB3 TYR 43 1HB TYR 43 4.090 7.678 0.430 343 HD1 TYR 43 1HD TYR 43 1.532 10.200 -0.412 344 HD2 TYR 43 2HD TYR 43 5.687 9.426 0.084 345 HE1 TYR 43 1HE TYR 43 1.988 12.610 -0.526 346 HE2 TYR 43 2HE TYR 43 6.153 11.839 -0.027 347 HH TYR 43 HH TYR 43 3.665 14.198 0.139 348 HA PRO 44 HA PRO 44 5.787 4.576 -3.121 349 HB2 PRO 44 2HB PRO 44 7.042 6.523 -4.963 350 HB3 PRO 44 1HB PRO 44 6.417 4.904 -5.293 351 HG2 PRO 44 2HG PRO 44 5.119 7.078 -6.136 352 HG3 PRO 44 1HG PRO 44 4.238 5.654 -5.548 353 HD2 PRO 44 2HD PRO 44 4.816 8.239 -4.148 354 HD3 PRO 44 1HD PRO 44 3.324 7.274 -4.163 355 H LEU 45 HN LEU 45 7.414 4.168 -1.733 356 HA LEU 45 HA LEU 45 9.383 6.290 -1.199 357 HB2 LEU 45 2HB LEU 45 8.251 4.127 0.512 358 HB3 LEU 45 1HB LEU 45 9.902 4.623 0.801 359 HG LEU 45 HG LEU 45 8.554 5.820 2.322 360 HD11 LEU 45 1HD1 LEU 45 10.310 7.154 1.322 361 HD12 LEU 45 2HD1 LEU 45 8.901 8.154 1.677 362 HD13 LEU 45 3HD1 LEU 45 9.223 7.641 0.020 363 HD21 LEU 45 3HD2 LEU 45 6.663 7.220 1.649 364 HD22 LEU 45 1HD2 LEU 45 6.391 5.518 1.274 365 HD23 LEU 45 2HD2 LEU 45 6.837 6.644 -0.009 366 H ASN 46 HN ASN 46 11.415 4.782 -0.105 367 HA ASN 46 HA ASN 46 12.365 3.358 -2.504 368 HB2 ASN 46 2HB ASN 46 13.631 5.356 -2.028 369 HB3 ASN 46 1HB ASN 46 13.838 4.882 -0.347 370 HD21 ASN 46 1HD2 ASN 46 15.424 3.448 0.197 371 HD22 ASN 46 2HD2 ASN 46 16.628 2.899 -0.922 372 H ASN 47 HN ASN 47 13.513 1.405 -2.298 373 HA ASN 47 HA ASN 47 13.061 -0.019 0.238 374 HB2 ASN 47 2HB ASN 47 12.073 -1.001 -1.856 375 HB3 ASN 47 1HB ASN 47 13.708 -1.209 -2.472 376 HD21 ASN 47 1HD2 ASN 47 11.761 -3.248 -2.037 377 HD22 ASN 47 2HD2 ASN 47 12.425 -4.345 -0.865 378 H LEU 48 HN LEU 48 14.753 -0.271 1.515 379 HA LEU 48 HA LEU 48 17.404 0.371 0.665 380 HB2 LEU 48 2HB LEU 48 16.190 -0.586 3.234 381 HB3 LEU 48 1HB LEU 48 17.928 -0.462 3.050 382 HG LEU 48 HG LEU 48 16.970 1.482 4.180 383 HD11 LEU 48 1HD1 LEU 48 18.107 2.075 1.457 384 HD12 LEU 48 2HD1 LEU 48 19.024 1.752 2.926 385 HD13 LEU 48 3HD1 LEU 48 18.041 3.211 2.805 386 HD21 LEU 48 3HD2 LEU 48 15.620 3.108 2.950 387 HD22 LEU 48 1HD2 LEU 48 14.782 1.566 3.132 388 HD23 LEU 48 2HD2 LEU 48 15.525 1.991 1.589 389 H ASP 49 HN ASP 49 15.612 -2.604 1.119 390 HA ASP 49 HA ASP 49 17.931 -4.306 1.196 391 HB2 ASP 49 2HB ASP 49 15.471 -4.819 1.996 392 HB3 ASP 49 1HB ASP 49 15.229 -5.278 0.321 393 H GLN 50 HN GLN 50 15.641 -3.190 -1.205 394 HA GLN 50 HA GLN 50 15.683 -3.072 -3.470 395 HB2 GLN 50 2HB GLN 50 17.975 -2.121 -2.924 396 HB3 GLN 50 1HB GLN 50 18.629 -3.710 -3.288 397 HG2 GLN 50 2HG GLN 50 17.867 -3.558 -5.564 398 HG3 GLN 50 1HG GLN 50 17.049 -2.033 -5.221 399 HE21 GLN 50 1HE2 GLN 50 19.167 -2.681 -7.145 400 HE22 GLN 50 2HE2 GLN 50 20.474 -1.605 -6.784 401 H SER 51 HN SER 51 14.974 -5.471 -2.260 402 HA SER 51 HA SER 51 15.951 -7.486 -4.167 403 HB2 SER 51 2HB SER 51 15.099 -7.781 -1.283 404 HB3 SER 51 1HB SER 51 15.336 -9.148 -2.362 405 HG SER 51 HG SER 51 17.163 -7.663 -1.015 406 HA PRO 52 HA PRO 52 11.743 -7.771 -5.539 407 HB2 PRO 52 2HB PRO 52 12.260 -10.537 -6.342 408 HB3 PRO 52 1HB PRO 52 11.958 -9.122 -7.351 409 HG2 PRO 52 2HG PRO 52 14.377 -10.322 -7.218 410 HG3 PRO 52 1HG PRO 52 14.191 -8.580 -7.484 411 HD2 PRO 52 2HD PRO 52 14.877 -10.053 -4.971 412 HD3 PRO 52 1HD PRO 52 15.554 -8.538 -5.608 413 H GLU 53 HN GLU 53 13.082 -9.933 -3.231 414 HA GLU 53 HA GLU 53 10.434 -11.052 -2.612 415 HB2 GLU 53 2HB GLU 53 13.186 -12.024 -1.820 416 HB3 GLU 53 1HB GLU 53 11.675 -12.765 -1.317 417 HG2 GLU 53 2HG GLU 53 11.135 -13.261 -3.643 418 HG3 GLU 53 1HG GLU 53 12.656 -12.526 -4.150 419 H HIS 54 HN HIS 54 12.441 -8.607 -1.637 420 HA HIS 54 HA HIS 54 11.495 -8.790 1.149 421 HB2 HIS 54 2HB HIS 54 14.192 -7.884 0.172 422 HB3 HIS 54 1HB HIS 54 13.592 -7.529 1.775 423 HD1 HIS 54 1HD HIS 54 15.971 -8.861 2.212 424 HD2 HIS 54 2HD HIS 54 12.669 -11.106 1.050 425 HE1 HIS 54 1HE HIS 54 16.470 -11.221 2.915 426 HE2 HIS 54 2HE HIS 54 14.331 -12.473 2.496 427 H PHE 55 HN PHE 55 10.690 -6.968 2.007 428 HA PHE 55 HA PHE 55 11.024 -4.482 0.494 429 HB2 PHE 55 2HB PHE 55 8.746 -3.798 1.100 430 HB3 PHE 55 1HB PHE 55 8.729 -5.274 0.148 431 HD1 PHE 55 1HD PHE 55 8.502 -7.496 1.459 432 HD2 PHE 55 2HD PHE 55 7.592 -3.676 3.098 433 HE1 PHE 55 1HE PHE 55 7.087 -8.567 3.163 434 HE2 PHE 55 2HE PHE 55 6.185 -4.744 4.812 435 HZ PHE 55 HZ PHE 55 5.931 -7.194 4.842 436 H SER 56 HN SER 56 12.207 -3.152 1.624 437 HA SER 56 HA SER 56 11.652 -2.781 4.458 438 HB2 SER 56 2HB SER 56 14.445 -3.323 3.423 439 HB3 SER 56 1HB SER 56 13.996 -2.979 5.093 440 HG SER 56 HG SER 56 12.478 -4.963 4.434 441 H MET 57 HN MET 57 11.825 -0.714 5.052 442 HA MET 57 HA MET 57 12.915 1.184 3.096 443 HB2 MET 57 2HB MET 57 10.923 2.628 3.533 444 HB3 MET 57 1HB MET 57 10.553 1.136 2.684 445 HG2 MET 57 2HG MET 57 10.034 0.229 5.066 446 HG3 MET 57 1HG MET 57 9.905 1.935 5.485 447 HE1 MET 57 3HE MET 57 8.228 3.623 4.103 448 HE2 MET 57 1HE MET 57 7.097 3.041 2.881 449 HE3 MET 57 2HE MET 57 8.833 2.987 2.573 450 H ASP 58 HN ASP 58 13.220 3.374 4.043 451 HA ASP 58 HA ASP 58 14.562 3.017 6.582 452 HB2 ASP 58 2HB ASP 58 15.879 4.136 4.996 453 HB3 ASP 58 1HB ASP 58 14.552 5.161 4.476 454 HA PRO 59 HA PRO 59 11.490 4.764 9.205 455 HB2 PRO 59 2HB PRO 59 13.769 5.952 10.687 456 HB3 PRO 59 1HB PRO 59 12.481 4.888 11.258 457 HG2 PRO 59 2HG PRO 59 14.948 3.958 10.902 458 HG3 PRO 59 1HG PRO 59 13.532 2.973 10.483 459 HD2 PRO 59 2HD PRO 59 15.369 4.516 8.693 460 HD3 PRO 59 1HD PRO 59 14.635 2.917 8.447 461 H ARG 60 HN ARG 60 14.194 6.993 8.359 462 HA ARG 60 HA ARG 60 12.571 9.229 9.144 463 HB2 ARG 60 2HB ARG 60 14.455 10.659 8.355 464 HB3 ARG 60 1HB ARG 60 14.873 9.505 9.602 465 HG2 ARG 60 2HG ARG 60 16.686 9.464 8.166 466 HG3 ARG 60 1HG ARG 60 15.756 8.045 7.691 467 HD2 ARG 60 2HD ARG 60 14.888 9.169 5.772 468 HD3 ARG 60 1HD ARG 60 15.536 10.716 6.317 469 HE ARG 60 HE ARG 60 17.768 9.817 5.881 470 HH11 ARG 60 1HH1 ARG 60 15.101 8.017 4.523 471 HH12 ARG 60 2HH1 ARG 60 16.003 7.444 3.150 472 HH21 ARG 60 1HH2 ARG 60 18.989 9.041 4.104 473 HH22 ARG 60 2HH2 ARG 60 18.228 8.017 2.916 474 H GLU 61 HN GLU 61 13.279 7.631 6.082 475 HA GLU 61 HA GLU 61 12.054 9.732 4.557 476 HB2 GLU 61 2HB GLU 61 12.047 8.257 2.674 477 HB3 GLU 61 1HB GLU 61 13.569 8.052 3.522 478 HG2 GLU 61 2HG GLU 61 12.808 5.974 4.470 479 HG3 GLU 61 1HG GLU 61 11.211 6.197 3.754 480 H GLN 62 HN GLN 62 10.887 6.832 6.170 481 HA GLN 62 HA GLN 62 8.209 6.929 5.321 482 HB2 GLN 62 2HB GLN 62 9.387 6.015 7.950 483 HB3 GLN 62 1HB GLN 62 7.706 5.786 7.504 484 HG2 GLN 62 2HG GLN 62 8.401 4.409 5.607 485 HG3 GLN 62 1HG GLN 62 10.087 4.628 6.077 486 HE21 GLN 62 1HE2 GLN 62 7.071 3.104 6.858 487 HE22 GLN 62 2HE2 GLN 62 7.697 1.994 8.022 488 H LEU 63 HN LEU 63 9.824 8.404 8.107 489 HA LEU 63 HA LEU 63 7.620 9.629 9.285 490 HB2 LEU 63 2HB LEU 63 9.796 9.436 10.376 491 HB3 LEU 63 1HB LEU 63 10.494 10.550 9.217 492 HG LEU 63 HG LEU 63 9.008 12.337 10.084 493 HD11 LEU 63 1HD1 LEU 63 7.200 10.955 10.935 494 HD12 LEU 63 2HD1 LEU 63 7.851 11.980 12.213 495 HD13 LEU 63 3HD1 LEU 63 8.277 10.269 12.151 496 HD21 LEU 63 3HD2 LEU 63 10.740 10.976 12.140 497 HD22 LEU 63 1HD2 LEU 63 10.210 12.656 12.189 498 HD23 LEU 63 2HD2 LEU 63 11.288 12.109 10.905 499 H THR 64 HN THR 64 9.832 10.881 6.814 500 HA THR 64 HA THR 64 8.722 13.451 6.629 501 HB THR 64 HB THR 64 10.128 11.870 4.469 502 HG1 THR 64 1HG THR 64 11.608 11.979 6.050 503 HG21 THR 64 3HG2 THR 64 10.769 14.077 3.596 504 HG22 THR 64 1HG2 THR 64 9.796 14.850 4.850 505 HG23 THR 64 2HG2 THR 64 9.017 13.875 3.606 506 H ALA 65 HN ALA 65 7.882 10.410 5.057 507 HA ALA 65 HA ALA 65 6.025 11.513 3.208 508 HB1 ALA 65 1HB ALA 65 5.315 9.226 2.833 509 HB2 ALA 65 2HB ALA 65 6.172 8.698 4.281 510 HB3 ALA 65 3HB ALA 65 7.075 9.311 2.894 511 H VAL 66 HN VAL 66 5.672 9.993 6.396 512 HA VAL 66 HA VAL 66 2.854 10.148 6.514 513 HB VAL 66 HB VAL 66 4.836 10.124 8.804 514 HG11 VAL 66 1HG1 VAL 66 2.654 10.891 9.541 515 HG12 VAL 66 2HG1 VAL 66 2.971 9.264 10.144 516 HG13 VAL 66 3HG1 VAL 66 1.886 9.501 8.773 517 HG21 VAL 66 3HG2 VAL 66 5.097 8.197 7.342 518 HG22 VAL 66 1HG2 VAL 66 3.368 7.863 7.446 519 HG23 VAL 66 2HG2 VAL 66 4.384 7.713 8.879 520 H LYS 67 HN LYS 67 5.402 12.388 7.423 521 HA LYS 67 HA LYS 67 3.877 14.327 8.737 522 HB2 LYS 67 2HB LYS 67 6.375 14.249 8.610 523 HB3 LYS 67 1HB LYS 67 6.268 14.808 6.949 524 HG2 LYS 67 2HG LYS 67 5.143 16.857 7.751 525 HG3 LYS 67 1HG LYS 67 5.385 16.302 9.408 526 HD2 LYS 67 2HD LYS 67 7.563 16.868 7.396 527 HD3 LYS 67 1HD LYS 67 7.098 17.915 8.738 528 HE2 LYS 67 2HE LYS 67 7.697 16.089 10.304 529 HE3 LYS 67 1HE LYS 67 8.261 15.139 8.929 530 HZ1 LYS 67 3HZ LYS 67 9.858 16.916 8.440 531 HZ2 LYS 67 1HZ LYS 67 10.105 16.246 9.980 532 HZ3 LYS 67 2HZ LYS 67 9.347 17.757 9.823 533 H ASP 68 HN ASP 68 4.546 13.823 5.318 534 HA ASP 68 HA ASP 68 3.180 16.170 4.423 535 HB2 ASP 68 2HB ASP 68 4.961 14.897 3.154 536 HB3 ASP 68 1HB ASP 68 3.734 13.687 2.803 537 H MET 69 HN MET 69 2.329 12.822 4.911 538 HA MET 69 HA MET 69 -0.153 12.756 3.612 539 HB2 MET 69 2HB MET 69 1.247 10.869 4.772 540 HB3 MET 69 1HB MET 69 0.291 11.282 6.186 541 HG2 MET 69 2HG MET 69 -0.845 9.508 5.192 542 HG3 MET 69 1HG MET 69 -1.751 10.945 4.712 543 HE1 MET 69 3HE MET 69 1.709 9.654 3.345 544 HE2 MET 69 1HE MET 69 1.187 8.668 1.977 545 HE3 MET 69 2HE MET 69 0.779 8.180 3.623 546 H ARG 70 HN ARG 70 0.639 13.481 6.992 547 HA ARG 70 HA ARG 70 -2.044 14.065 7.747 548 HB2 ARG 70 2HB ARG 70 -1.128 14.791 9.855 549 HB3 ARG 70 1HB ARG 70 -0.262 13.351 9.344 550 HG2 ARG 70 2HG ARG 70 1.478 14.632 10.053 551 HG3 ARG 70 1HG ARG 70 1.419 15.123 8.360 552 HD2 ARG 70 2HD ARG 70 -0.307 16.896 9.390 553 HD3 ARG 70 1HD ARG 70 0.714 16.636 10.803 554 HE ARG 70 HE ARG 70 2.504 17.077 8.825 555 HH11 ARG 70 1HH1 ARG 70 -0.312 18.800 9.941 556 HH12 ARG 70 2HH1 ARG 70 0.266 20.365 9.454 557 HH21 ARG 70 1HH2 ARG 70 3.301 19.136 8.145 558 HH22 ARG 70 2HH2 ARG 70 2.324 20.552 8.418 559 H LYS 71 HN LYS 71 0.446 15.823 6.212 560 HA LYS 71 HA LYS 71 -0.148 18.470 6.875 561 HB2 LYS 71 2HB LYS 71 1.864 17.640 5.681 562 HB3 LYS 71 1HB LYS 71 0.877 17.369 4.258 563 HG2 LYS 71 2HG LYS 71 0.411 19.789 4.160 564 HG3 LYS 71 1HG LYS 71 1.492 20.023 5.540 565 HD2 LYS 71 2HD LYS 71 2.228 18.884 2.842 566 HD3 LYS 71 1HD LYS 71 2.702 20.458 3.487 567 HE2 LYS 71 2HE LYS 71 4.068 19.469 5.148 568 HE3 LYS 71 1HE LYS 71 3.393 17.868 4.850 569 HZ1 LYS 71 3HZ LYS 71 5.075 19.410 2.952 570 HZ2 LYS 71 1HZ LYS 71 4.428 17.870 2.671 571 HZ3 LYS 71 2HZ LYS 71 5.590 18.092 3.886 572 H ASN 72 HN ASN 72 -1.506 16.329 4.412 573 HA ASN 72 HA ASN 72 -3.288 18.428 3.467 574 HB2 ASN 72 2HB ASN 72 -2.304 16.829 1.854 575 HB3 ASN 72 1HB ASN 72 -3.142 15.510 2.663 576 HD21 ASN 72 1HD2 ASN 72 -3.494 18.330 0.655 577 HD22 ASN 72 2HD2 ASN 72 -5.100 17.988 0.113 578 H GLY 73 HN GLY 73 -3.283 15.855 5.736 579 HA2 GLY 73 2HA GLY 73 -5.043 16.181 7.463 580 HA3 GLY 73 1HA GLY 73 -6.183 16.244 6.128 581 H TRP 74 HN TRP 74 -4.181 14.009 5.040 582 HA TRP 74 HA TRP 74 -5.933 11.866 5.843 583 HB2 TRP 74 2HB TRP 74 -3.551 11.967 3.993 584 HB3 TRP 74 1HB TRP 74 -4.458 10.496 4.318 585 HD1 TRP 74 1HD TRP 74 -7.389 11.332 4.016 586 HE1 TRP 74 1HE TRP 74 -8.337 12.164 1.771 587 HE3 TRP 74 3HE TRP 74 -3.029 12.831 1.802 588 HZ2 TRP 74 2HZ TRP 74 -7.363 13.307 -0.616 589 HZ3 TRP 74 3HZ TRP 74 -3.126 13.786 -0.463 590 HH2 TRP 74 2HH TRP 74 -5.250 14.017 -1.647 591 H VAL 75 HN VAL 75 -4.998 9.738 6.444 592 HA VAL 75 HA VAL 75 -2.617 9.996 8.166 593 HB VAL 75 HB VAL 75 -3.560 8.231 9.619 594 HG11 VAL 75 1HG1 VAL 75 -5.240 9.607 10.748 595 HG12 VAL 75 2HG1 VAL 75 -5.353 10.637 9.323 596 HG13 VAL 75 3HG1 VAL 75 -3.849 10.570 10.241 597 HG21 VAL 75 3HG2 VAL 75 -5.927 7.630 9.452 598 HG22 VAL 75 1HG2 VAL 75 -5.041 7.155 8.002 599 HG23 VAL 75 2HG2 VAL 75 -6.069 8.589 7.979 600 H MET 76 HN MET 76 -1.491 7.820 8.470 601 HA MET 76 HA MET 76 -1.203 6.596 5.886 602 HB2 MET 76 2HB MET 76 0.687 5.542 6.732 603 HB3 MET 76 1HB MET 76 0.655 7.050 7.621 604 HG2 MET 76 2HG MET 76 -0.368 5.878 9.520 605 HG3 MET 76 1HG MET 76 -0.277 4.373 8.622 606 HE1 MET 76 3HE MET 76 2.004 3.214 7.899 607 HE2 MET 76 1HE MET 76 3.596 3.876 8.273 608 HE3 MET 76 2HE MET 76 2.539 4.710 7.135 609 H LEU 77 HN LEU 77 -1.777 4.554 5.284 610 HA LEU 77 HA LEU 77 -3.617 3.164 7.132 611 HB2 LEU 77 2HB LEU 77 -3.731 3.199 4.119 612 HB3 LEU 77 1HB LEU 77 -4.898 2.469 5.206 613 HG LEU 77 HG LEU 77 -4.349 5.429 4.969 614 HD11 LEU 77 1HD1 LEU 77 -6.690 3.782 4.033 615 HD12 LEU 77 2HD1 LEU 77 -5.455 4.505 3.002 616 HD13 LEU 77 3HD1 LEU 77 -6.544 5.536 3.931 617 HD21 LEU 77 3HD2 LEU 77 -5.046 4.788 7.220 618 HD22 LEU 77 1HD2 LEU 77 -6.435 3.931 6.553 619 HD23 LEU 77 2HD2 LEU 77 -6.320 5.684 6.391 620 H GLY 78 HN GLY 78 -0.646 2.925 6.310 621 HA2 GLY 78 2HA GLY 78 0.444 0.758 6.770 622 HA3 GLY 78 1HA GLY 78 -0.742 0.032 5.695 623 H ASN 79 HN ASN 79 0.801 -0.830 4.295 624 HA ASN 79 HA ASN 79 2.009 1.133 2.502 625 HB2 ASN 79 2HB ASN 79 4.187 0.116 2.542 626 HB3 ASN 79 1HB ASN 79 3.740 0.524 4.188 627 HD21 ASN 79 1HD2 ASN 79 5.675 -1.398 3.194 628 HD22 ASN 79 2HD2 ASN 79 5.221 -2.921 3.870 629 H PHE 80 HN PHE 80 3.197 -0.218 0.681 630 HA PHE 80 HA PHE 80 1.601 -2.540 -0.068 631 HB2 PHE 80 2HB PHE 80 0.945 -1.614 -2.211 632 HB3 PHE 80 1HB PHE 80 0.389 -0.535 -0.937 633 HD1 PHE 80 1HD PHE 80 1.652 1.590 -0.501 634 HD2 PHE 80 2HD PHE 80 2.417 -0.870 -3.889 635 HE1 PHE 80 1HE PHE 80 2.792 3.471 -1.607 636 HE2 PHE 80 2HE PHE 80 3.559 1.005 -4.998 637 HZ PHE 80 HZ PHE 80 3.750 3.178 -3.857 638 H HIS 81 HN HIS 81 2.600 -3.882 -1.569 639 HA HIS 81 HA HIS 81 4.888 -3.011 -3.060 640 HB2 HIS 81 2HB HIS 81 6.530 -4.549 -2.165 641 HB3 HIS 81 1HB HIS 81 5.945 -3.528 -0.862 642 HD1 HIS 81 1HD HIS 81 3.939 -4.783 0.615 643 HD2 HIS 81 2HD HIS 81 6.574 -7.165 -1.538 644 HE1 HIS 81 1HE HIS 81 3.792 -7.063 1.661 645 HE2 HIS 81 2HE HIS 81 5.554 -8.436 0.480 646 H SER 82 HN SER 82 5.398 -4.454 -4.757 647 HA SER 82 HA SER 82 3.295 -6.486 -5.155 648 HB2 SER 82 2HB SER 82 3.062 -4.554 -6.649 649 HB3 SER 82 1HB SER 82 4.718 -4.774 -7.214 650 HG SER 82 HG SER 82 4.123 -6.486 -8.359 651 H HIS 83 HN HIS 83 3.875 -8.516 -5.791 652 HA HIS 83 HA HIS 83 6.720 -9.120 -5.820 653 HB2 HIS 83 2HB HIS 83 4.259 -10.869 -6.035 654 HB3 HIS 83 1HB HIS 83 5.894 -11.495 -6.164 655 HD1 HIS 83 1HD HIS 83 3.691 -12.138 -3.911 656 HD2 HIS 83 2HD HIS 83 7.049 -9.711 -3.523 657 HE1 HIS 83 1HE HIS 83 4.229 -12.110 -1.453 658 HE2 HIS 83 2HE HIS 83 6.395 -10.836 -1.282 659 HA PRO 84 HA PRO 84 6.922 -8.765 -10.206 660 HB2 PRO 84 2HB PRO 84 9.354 -10.341 -10.245 661 HB3 PRO 84 1HB PRO 84 9.166 -8.597 -10.428 662 HG2 PRO 84 2HG PRO 84 10.346 -9.757 -8.263 663 HG3 PRO 84 1HG PRO 84 9.503 -8.200 -8.194 664 HD2 PRO 84 2HD PRO 84 8.532 -10.919 -7.386 665 HD3 PRO 84 1HD PRO 84 8.318 -9.356 -6.566 666 H ALA 85 HN ALA 85 8.056 -11.982 -9.163 667 HA ALA 85 HA ALA 85 6.374 -13.163 -11.266 668 HB1 ALA 85 1HB ALA 85 8.685 -13.090 -12.066 669 HB2 ALA 85 2HB ALA 85 8.159 -14.752 -11.797 670 HB3 ALA 85 3HB ALA 85 9.215 -13.959 -10.627 671 H THR 86 HN THR 86 5.626 -12.896 -8.639 672 HA THR 86 HA THR 86 5.439 -15.683 -7.819 673 HB THR 86 HB THR 86 5.708 -14.647 -5.361 674 HG1 THR 86 1HG THR 86 7.744 -13.277 -5.676 675 HG21 THR 86 3HG2 THR 86 8.012 -15.505 -5.346 676 HG22 THR 86 1HG2 THR 86 8.008 -15.532 -7.110 677 HG23 THR 86 2HG2 THR 86 6.920 -16.588 -6.209 678 HA PRO 87 HA PRO 87 1.219 -14.757 -7.066 679 HB2 PRO 87 2HB PRO 87 1.344 -16.267 -4.528 680 HB3 PRO 87 1HB PRO 87 0.376 -16.570 -5.973 681 HG2 PRO 87 2HG PRO 87 2.464 -18.122 -5.362 682 HG3 PRO 87 1HG PRO 87 2.089 -17.700 -7.045 683 HD2 PRO 87 2HD PRO 87 4.174 -16.555 -5.222 684 HD3 PRO 87 1HD PRO 87 4.295 -16.980 -6.942 685 H ALA 88 HN ALA 88 -0.359 -14.171 -5.168 686 HA ALA 88 HA ALA 88 0.793 -11.776 -3.981 687 HB1 ALA 88 1HB ALA 88 -1.281 -11.592 -5.293 688 HB2 ALA 88 2HB ALA 88 -1.500 -11.057 -3.627 689 HB3 ALA 88 3HB ALA 88 -2.094 -12.639 -4.129 690 H ARG 89 HN ARG 89 0.419 -14.875 -3.040 691 HA ARG 89 HA ARG 89 -0.523 -14.501 -0.368 692 HB2 ARG 89 2HB ARG 89 0.147 -16.800 0.002 693 HB3 ARG 89 1HB ARG 89 -0.680 -16.672 -1.542 694 HG2 ARG 89 2HG ARG 89 1.610 -16.560 -2.605 695 HG3 ARG 89 1HG ARG 89 2.256 -17.032 -1.031 696 HD2 ARG 89 2HD ARG 89 1.991 -19.005 -2.368 697 HD3 ARG 89 1HD ARG 89 0.774 -19.030 -1.093 698 HE ARG 89 HE ARG 89 -0.330 -17.826 -3.375 699 HH11 ARG 89 1HH1 ARG 89 0.686 -20.963 -2.184 700 HH12 ARG 89 2HH1 ARG 89 -0.330 -21.847 -3.287 701 HH21 ARG 89 1HH2 ARG 89 -1.671 -18.984 -4.820 702 HH22 ARG 89 2HH2 ARG 89 -1.653 -20.723 -4.799 703 HA PRO 90 HA PRO 90 3.170 -12.934 1.435 704 HB2 PRO 90 2HB PRO 90 2.844 -13.772 4.004 705 HB3 PRO 90 1HB PRO 90 1.933 -12.433 3.297 706 HG2 PRO 90 2HG PRO 90 1.105 -15.280 3.710 707 HG3 PRO 90 1HG PRO 90 0.171 -13.794 3.964 708 HD2 PRO 90 2HD PRO 90 -0.115 -15.356 1.767 709 HD3 PRO 90 1HD PRO 90 -0.355 -13.596 1.733 710 H SER 91 HN SER 91 5.151 -13.716 1.167 711 HA SER 91 HA SER 91 5.738 -16.516 1.459 712 HB2 SER 91 2HB SER 91 6.823 -15.094 -0.280 713 HB3 SER 91 1HB SER 91 7.631 -14.190 0.998 714 HG SER 91 HG SER 91 9.079 -15.720 0.356 715 H ALA 92 HN ALA 92 7.870 -17.009 2.767 716 HA ALA 92 HA ALA 92 7.279 -16.722 5.482 717 HB1 ALA 92 1HB ALA 92 9.470 -17.682 5.899 718 HB2 ALA 92 2HB ALA 92 9.954 -17.344 4.238 719 HB3 ALA 92 3HB ALA 92 8.678 -18.518 4.563 720 H GLU 93 HN GLU 93 9.267 -14.805 3.343 721 HA GLU 93 HA GLU 93 10.467 -13.223 5.384 722 HB2 GLU 93 2HB GLU 93 10.157 -12.676 2.427 723 HB3 GLU 93 1HB GLU 93 11.222 -11.805 3.524 724 HG2 GLU 93 2HG GLU 93 11.421 -14.751 2.935 725 HG3 GLU 93 1HG GLU 93 12.380 -13.500 2.147 726 H ASP 94 HN ASP 94 7.770 -12.662 3.110 727 HA ASP 94 HA ASP 94 7.075 -10.085 3.962 728 HB2 ASP 94 2HB ASP 94 5.241 -12.268 2.931 729 HB3 ASP 94 1HB ASP 94 4.811 -10.570 3.063 730 H LYS 95 HN LYS 95 6.179 -13.254 5.137 731 HA LYS 95 HA LYS 95 4.126 -12.569 6.889 732 HB2 LYS 95 2HB LYS 95 4.552 -14.851 6.206 733 HB3 LYS 95 1HB LYS 95 6.128 -14.831 6.983 734 HG2 LYS 95 2HG LYS 95 4.622 -16.082 8.341 735 HG3 LYS 95 1HG LYS 95 4.986 -14.570 9.170 736 HD2 LYS 95 2HD LYS 95 2.867 -13.648 8.563 737 HD3 LYS 95 1HD LYS 95 2.528 -15.000 7.480 738 HE2 LYS 95 2HE LYS 95 2.873 -15.229 10.469 739 HE3 LYS 95 1HE LYS 95 1.320 -15.154 9.637 740 HZ1 LYS 95 3HZ LYS 95 3.371 -17.231 9.090 741 HZ2 LYS 95 1HZ LYS 95 1.767 -17.199 8.545 742 HZ3 LYS 95 2HZ LYS 95 2.101 -17.448 10.193 743 H ARG 96 HN ARG 96 7.632 -12.847 7.533 744 HA ARG 96 HA ARG 96 7.280 -12.414 10.319 745 HB2 ARG 96 2HB ARG 96 9.111 -13.786 9.350 746 HB3 ARG 96 1HB ARG 96 9.815 -12.316 8.682 747 HG2 ARG 96 2HG ARG 96 10.167 -11.426 10.858 748 HG3 ARG 96 1HG ARG 96 9.301 -12.767 11.598 749 HD2 ARG 96 2HD ARG 96 11.051 -14.295 10.654 750 HD3 ARG 96 1HD ARG 96 11.948 -12.855 10.165 751 HE ARG 96 HE ARG 96 12.194 -12.288 12.489 752 HH11 ARG 96 1HH1 ARG 96 11.018 -15.532 11.842 753 HH12 ARG 96 2HH1 ARG 96 11.406 -16.114 13.431 754 HH21 ARG 96 1HH2 ARG 96 12.698 -13.064 14.575 755 HH22 ARG 96 2HH2 ARG 96 12.339 -14.719 14.985 756 H LEU 97 HN LEU 97 7.849 -10.365 7.563 757 HA LEU 97 HA LEU 97 8.990 -8.198 9.030 758 HB2 LEU 97 2HB LEU 97 7.795 -8.333 6.267 759 HB3 LEU 97 1HB LEU 97 8.588 -6.917 6.924 760 HG LEU 97 HG LEU 97 9.891 -9.598 6.432 761 HD11 LEU 97 1HD1 LEU 97 10.243 -6.953 5.025 762 HD12 LEU 97 2HD1 LEU 97 9.397 -8.360 4.378 763 HD13 LEU 97 3HD1 LEU 97 11.132 -8.439 4.691 764 HD21 LEU 97 3HD2 LEU 97 10.838 -8.461 8.379 765 HD22 LEU 97 1HD2 LEU 97 11.089 -7.008 7.410 766 HD23 LEU 97 2HD2 LEU 97 11.974 -8.485 7.030 767 H ALA 98 HN ALA 98 5.901 -9.377 8.986 768 HA ALA 98 HA ALA 98 4.544 -6.829 9.178 769 HB1 ALA 98 1HB ALA 98 3.512 -9.605 9.730 770 HB2 ALA 98 2HB ALA 98 3.413 -8.767 8.182 771 HB3 ALA 98 3HB ALA 98 2.541 -8.141 9.582 772 H PHE 99 HN PHE 99 5.469 -5.805 10.920 773 HA PHE 99 HA PHE 99 5.291 -7.137 13.531 774 HB2 PHE 99 2HB PHE 99 6.811 -4.657 12.705 775 HB3 PHE 99 1HB PHE 99 6.788 -5.327 14.332 776 HD1 PHE 99 1HD PHE 99 7.660 -7.708 14.639 777 HD2 PHE 99 2HD PHE 99 8.381 -5.379 11.153 778 HE1 PHE 99 1HE PHE 99 9.579 -9.142 14.084 779 HE2 PHE 99 2HE PHE 99 10.302 -6.812 10.588 780 HZ PHE 99 HZ PHE 99 10.903 -8.697 12.055 781 H ASP 100 HN ASP 100 3.531 -5.069 11.643 782 HA ASP 100 HA ASP 100 2.301 -3.816 14.007 783 HB2 ASP 100 2HB ASP 100 3.719 -2.214 12.624 784 HB3 ASP 100 1HB ASP 100 2.529 -2.417 11.342 785 HA PRO 101 HA PRO 101 -0.890 -6.237 11.766 786 HB2 PRO 101 2HB PRO 101 -2.418 -6.684 13.972 787 HB3 PRO 101 1HB PRO 101 -1.019 -7.677 13.544 788 HG2 PRO 101 2HG PRO 101 -1.212 -5.420 15.509 789 HG3 PRO 101 1HG PRO 101 -0.412 -6.993 15.688 790 HD2 PRO 101 2HD PRO 101 0.962 -4.751 15.105 791 HD3 PRO 101 1HD PRO 101 1.434 -6.337 14.460 792 H SER 102 HN SER 102 -0.878 -3.207 13.253 793 HA SER 102 HA SER 102 -3.739 -2.743 12.941 794 HB2 SER 102 2HB SER 102 -1.528 -0.859 13.808 795 HB3 SER 102 1HB SER 102 -3.259 -0.517 13.868 796 HG SER 102 HG SER 102 -2.802 -2.841 15.099 797 H LEU 103 HN LEU 103 -0.778 -2.314 11.262 798 HA LEU 103 HA LEU 103 -1.941 -0.469 9.327 799 HB2 LEU 103 2HB LEU 103 0.805 -1.697 9.554 800 HB3 LEU 103 1HB LEU 103 0.322 -0.618 8.259 801 HG LEU 103 HG LEU 103 0.461 0.093 11.190 802 HD11 LEU 103 1HD1 LEU 103 2.648 -0.192 10.101 803 HD12 LEU 103 2HD1 LEU 103 2.338 1.479 10.567 804 HD13 LEU 103 3HD1 LEU 103 2.175 0.990 8.880 805 HD21 LEU 103 3HD2 LEU 103 -0.230 1.786 8.791 806 HD22 LEU 103 1HD2 LEU 103 0.017 2.384 10.433 807 HD23 LEU 103 2HD2 LEU 103 -1.331 1.303 10.084 808 H SER 104 HN SER 104 -2.296 -0.989 7.167 809 HA SER 104 HA SER 104 -2.808 -3.810 6.709 810 HB2 SER 104 2HB SER 104 -3.405 -1.482 4.872 811 HB3 SER 104 1HB SER 104 -4.118 -3.095 4.827 812 HG SER 104 HG SER 104 -4.680 -2.386 7.181 813 H TYR 105 HN TYR 105 -1.366 -5.070 5.736 814 HA TYR 105 HA TYR 105 0.741 -3.863 4.110 815 HB2 TYR 105 2HB TYR 105 0.375 -6.718 5.066 816 HB3 TYR 105 1HB TYR 105 1.763 -6.119 4.167 817 HD1 TYR 105 2HD TYR 105 3.352 -4.555 5.239 818 HD2 TYR 105 1HD TYR 105 0.156 -6.329 7.419 819 HE1 TYR 105 2HE TYR 105 4.472 -3.965 7.348 820 HE2 TYR 105 1HE TYR 105 1.263 -5.740 9.533 821 HH TYR 105 HH TYR 105 3.774 -3.549 9.745 822 H LEU 106 HN LEU 106 0.045 -3.484 2.064 823 HA LEU 106 HA LEU 106 -1.745 -5.386 0.792 824 HB2 LEU 106 2HB LEU 106 -0.683 -2.696 0.005 825 HB3 LEU 106 1HB LEU 106 -1.448 -3.732 -1.182 826 HG LEU 106 HG LEU 106 -3.458 -3.789 0.387 827 HD11 LEU 106 1HD1 LEU 106 -2.347 -2.948 2.388 828 HD12 LEU 106 2HD1 LEU 106 -3.690 -1.907 1.914 829 HD13 LEU 106 3HD1 LEU 106 -2.032 -1.415 1.574 830 HD21 LEU 106 3HD2 LEU 106 -3.443 -2.556 -1.705 831 HD22 LEU 106 1HD2 LEU 106 -2.657 -1.189 -0.912 832 HD23 LEU 106 2HD2 LEU 106 -4.297 -1.650 -0.456 833 H ILE 107 HN ILE 107 -1.219 -6.854 -0.638 834 HA ILE 107 HA ILE 107 1.514 -6.836 -1.720 835 HB ILE 107 HB ILE 107 -0.122 -9.278 -1.005 836 HG12 ILE 107 2HG1 ILE 107 2.404 -8.165 0.244 837 HG13 ILE 107 1HG1 ILE 107 0.802 -8.118 0.970 838 HG21 ILE 107 1HG2 ILE 107 1.247 -9.633 -2.985 839 HG22 ILE 107 2HG2 ILE 107 1.891 -10.540 -1.617 840 HG23 ILE 107 3HG2 ILE 107 2.668 -9.042 -2.126 841 HD11 ILE 107 3HD1 ILE 107 2.144 -9.886 1.936 842 HD12 ILE 107 1HD1 ILE 107 2.392 -10.594 0.340 843 HD13 ILE 107 2HD1 ILE 107 0.778 -10.561 1.050 844 H ILE 108 HN ILE 108 1.535 -6.555 -3.816 845 HA ILE 108 HA ILE 108 -0.820 -7.303 -5.406 846 HB ILE 108 HB ILE 108 1.476 -5.484 -6.170 847 HG12 ILE 108 2HG1 ILE 108 -1.340 -4.739 -5.345 848 HG13 ILE 108 1HG1 ILE 108 0.077 -4.593 -4.309 849 HG21 ILE 108 1HG2 ILE 108 0.390 -6.532 -8.086 850 HG22 ILE 108 2HG2 ILE 108 0.055 -4.801 -8.025 851 HG23 ILE 108 3HG2 ILE 108 -1.178 -5.954 -7.516 852 HD11 ILE 108 3HD1 ILE 108 -0.366 -3.125 -6.903 853 HD12 ILE 108 1HD1 ILE 108 1.036 -2.963 -5.845 854 HD13 ILE 108 2HD1 ILE 108 -0.555 -2.457 -5.281 855 H SER 109 HN SER 109 -0.584 -8.663 -7.194 856 HA SER 109 HA SER 109 2.057 -9.953 -7.411 857 HB2 SER 109 2HB SER 109 0.206 -11.436 -6.645 858 HB3 SER 109 1HB SER 109 -0.631 -11.127 -8.165 859 HG SER 109 HG SER 109 1.929 -12.344 -7.859 860 H LEU 110 HN LEU 110 3.135 -9.133 -9.083 861 HA LEU 110 HA LEU 110 1.720 -8.221 -11.455 862 HB2 LEU 110 2HB LEU 110 4.123 -7.522 -10.160 863 HB3 LEU 110 1HB LEU 110 4.595 -8.209 -11.701 864 HG LEU 110 HG LEU 110 4.384 -5.782 -11.839 865 HD11 LEU 110 1HD1 LEU 110 2.891 -5.647 -13.768 866 HD12 LEU 110 2HD1 LEU 110 2.217 -7.225 -13.359 867 HD13 LEU 110 3HD1 LEU 110 3.909 -7.085 -13.836 868 HD21 LEU 110 3HD2 LEU 110 2.192 -4.710 -11.611 869 HD22 LEU 110 1HD2 LEU 110 2.727 -5.441 -10.099 870 HD23 LEU 110 2HD2 LEU 110 1.503 -6.245 -11.082 871 H ALA 111 HN ALA 111 2.420 -11.135 -10.422 872 HA ALA 111 HA ALA 111 3.846 -12.384 -12.517 873 HB1 ALA 111 1HB ALA 111 3.515 -13.435 -10.328 874 HB2 ALA 111 2HB ALA 111 2.963 -14.478 -11.638 875 HB3 ALA 111 3HB ALA 111 1.792 -13.591 -10.663 876 H GLU 112 HN GLU 112 0.678 -11.145 -12.292 877 HA GLU 112 HA GLU 112 0.047 -12.257 -14.937 878 HB2 GLU 112 2HB GLU 112 -1.318 -13.356 -13.137 879 HB3 GLU 112 1HB GLU 112 -1.980 -11.778 -12.738 880 HG2 GLU 112 2HG GLU 112 -3.057 -11.613 -14.856 881 HG3 GLU 112 1HG GLU 112 -2.231 -13.053 -15.449 882 HA PRO 113 HA PRO 113 0.249 -7.688 -14.970 883 HB2 PRO 113 2HB PRO 113 1.082 -7.443 -17.542 884 HB3 PRO 113 1HB PRO 113 2.179 -7.797 -16.201 885 HG2 PRO 113 2HG PRO 113 0.958 -9.666 -18.196 886 HG3 PRO 113 1HG PRO 113 2.617 -9.623 -17.571 887 HD2 PRO 113 2HD PRO 113 0.758 -11.372 -16.665 888 HD3 PRO 113 1HD PRO 113 2.050 -10.729 -15.635 889 H GLN 114 HN GLN 114 -1.601 -9.843 -16.872 890 HA GLN 114 HA GLN 114 -3.088 -7.772 -18.234 891 HB2 GLN 114 2HB GLN 114 -3.485 -10.758 -18.049 892 HB3 GLN 114 1HB GLN 114 -4.545 -9.691 -18.959 893 HG2 GLN 114 2HG GLN 114 -2.648 -9.003 -20.345 894 HG3 GLN 114 1HG GLN 114 -1.605 -10.101 -19.443 895 HE21 GLN 114 1HE2 GLN 114 -1.775 -12.294 -19.757 896 HE22 GLN 114 2HE2 GLN 114 -2.659 -12.986 -21.078 897 H LYS 115 HN LYS 115 -3.232 -9.517 -15.294 898 HA LYS 115 HA LYS 115 -5.437 -7.888 -14.394 899 HB2 LYS 115 2HB LYS 115 -5.654 -10.850 -14.729 900 HB3 LYS 115 1HB LYS 115 -6.405 -10.104 -13.329 901 HG2 LYS 115 2HG LYS 115 -7.676 -8.624 -14.857 902 HG3 LYS 115 1HG LYS 115 -6.984 -9.506 -16.221 903 HD2 LYS 115 2HD LYS 115 -9.246 -10.296 -15.621 904 HD3 LYS 115 1HD LYS 115 -8.022 -11.558 -15.467 905 HE2 LYS 115 2HE LYS 115 -9.518 -11.634 -13.567 906 HE3 LYS 115 1HE LYS 115 -7.914 -11.124 -13.045 907 HZ1 LYS 115 3HZ LYS 115 -10.337 -9.452 -13.372 908 HZ2 LYS 115 1HZ LYS 115 -8.785 -8.783 -13.219 909 HZ3 LYS 115 2HZ LYS 115 -9.432 -9.721 -11.966 910 HA PRO 116 HA PRO 116 -1.910 -8.572 -11.446 911 HB2 PRO 116 2HB PRO 116 -2.654 -5.803 -10.722 912 HB3 PRO 116 1HB PRO 116 -1.065 -6.476 -11.099 913 HG2 PRO 116 2HG PRO 116 -2.333 -4.863 -12.819 914 HG3 PRO 116 1HG PRO 116 -1.354 -6.232 -13.384 915 HD2 PRO 116 2HD PRO 116 -4.328 -5.988 -13.157 916 HD3 PRO 116 1HD PRO 116 -3.352 -6.756 -14.426 917 H VAL 117 HN VAL 117 -2.561 -9.726 -9.737 918 HA VAL 117 HA VAL 117 -5.089 -9.218 -8.454 919 HB VAL 117 HB VAL 117 -2.873 -11.083 -7.570 920 HG11 VAL 117 1HG1 VAL 117 -4.463 -10.620 -5.793 921 HG12 VAL 117 2HG1 VAL 117 -4.684 -12.269 -6.381 922 HG13 VAL 117 3HG1 VAL 117 -5.810 -11.001 -6.865 923 HG21 VAL 117 3HG2 VAL 117 -4.149 -12.857 -8.705 924 HG22 VAL 117 1HG2 VAL 117 -3.576 -11.631 -9.836 925 HG23 VAL 117 2HG2 VAL 117 -5.264 -11.643 -9.328 926 H CYS 118 HN CYS 118 -5.371 -7.733 -6.969 927 HA CYS 118 HA CYS 118 -3.110 -6.992 -5.241 928 HB2 CYS 118 2HB CYS 118 -5.446 -5.251 -6.054 929 HB3 CYS 118 1HB CYS 118 -4.050 -4.759 -5.101 930 HG CYS 118 HG CYS 118 -3.648 -3.618 -7.555 931 H LYS 119 HN LYS 119 -3.380 -7.369 -3.125 932 HA LYS 119 HA LYS 119 -6.104 -7.324 -2.031 933 HB2 LYS 119 2HB LYS 119 -4.038 -9.456 -1.501 934 HB3 LYS 119 1HB LYS 119 -5.477 -9.234 -0.535 935 HG2 LYS 119 2HG LYS 119 -5.777 -9.652 -3.465 936 HG3 LYS 119 1HG LYS 119 -5.390 -11.029 -2.430 937 HD2 LYS 119 2HD LYS 119 -7.350 -10.426 -1.013 938 HD3 LYS 119 1HD LYS 119 -7.768 -9.184 -2.196 939 HE2 LYS 119 2HE LYS 119 -8.118 -10.821 -3.899 940 HE3 LYS 119 1HE LYS 119 -7.462 -12.101 -2.879 941 HZ1 LYS 119 3HZ LYS 119 -9.341 -11.814 -1.379 942 HZ2 LYS 119 1HZ LYS 119 -9.871 -12.180 -2.949 943 HZ3 LYS 119 2HZ LYS 119 -9.975 -10.588 -2.371 944 H SER 120 HN SER 120 -6.103 -7.086 0.306 945 HA SER 120 HA SER 120 -3.673 -5.782 1.336 946 HB2 SER 120 2HB SER 120 -5.683 -4.257 1.029 947 HB3 SER 120 1HB SER 120 -6.512 -5.234 2.240 948 HG SER 120 HG SER 120 -4.023 -3.965 2.695 949 H PHE 121 HN PHE 121 -2.790 -6.825 3.044 950 HA PHE 121 HA PHE 121 -4.466 -8.908 4.266 951 HB2 PHE 121 2HB PHE 121 -1.485 -8.957 3.790 952 HB3 PHE 121 1HB PHE 121 -2.406 -10.212 4.605 953 HD1 PHE 121 1HD PHE 121 -4.283 -11.340 3.260 954 HD2 PHE 121 2HD PHE 121 -1.172 -9.038 1.499 955 HE1 PHE 121 1HE PHE 121 -4.682 -12.458 1.105 956 HE2 PHE 121 2HE PHE 121 -1.562 -10.151 -0.660 957 HZ PHE 121 HZ PHE 121 -3.319 -11.865 -0.859 958 H LEU 122 HN LEU 122 -4.802 -8.786 6.342 959 HA LEU 122 HA LEU 122 -3.010 -7.180 8.014 960 HB2 LEU 122 2HB LEU 122 -5.624 -8.564 8.668 961 HB3 LEU 122 1HB LEU 122 -4.692 -7.596 9.793 962 HG LEU 122 HG LEU 122 -5.999 -6.567 7.270 963 HD11 LEU 122 1HD1 LEU 122 -7.529 -5.424 8.777 964 HD12 LEU 122 2HD1 LEU 122 -6.741 -6.172 10.166 965 HD13 LEU 122 3HD1 LEU 122 -7.614 -7.172 9.003 966 HD21 LEU 122 3HD2 LEU 122 -5.397 -4.353 8.159 967 HD22 LEU 122 1HD2 LEU 122 -3.976 -5.334 7.795 968 HD23 LEU 122 2HD2 LEU 122 -4.504 -5.135 9.465 969 H ILE 123 HN ILE 123 -1.261 -8.282 8.657 970 HA ILE 123 HA ILE 123 -1.424 -11.178 8.717 971 HB ILE 123 HB ILE 123 0.999 -9.395 8.979 972 HG12 ILE 123 2HG1 ILE 123 -0.065 -11.002 6.641 973 HG13 ILE 123 1HG1 ILE 123 -0.090 -9.248 6.778 974 HG21 ILE 123 1HG2 ILE 123 2.281 -11.457 8.588 975 HG22 ILE 123 2HG2 ILE 123 0.782 -12.386 8.617 976 HG23 ILE 123 3HG2 ILE 123 1.329 -11.549 10.071 977 HD11 ILE 123 3HD1 ILE 123 1.692 -9.996 5.313 978 HD12 ILE 123 1HD1 ILE 123 2.373 -10.970 6.616 979 HD13 ILE 123 2HD1 ILE 123 2.347 -9.212 6.749 980 H LYS 124 HN LYS 124 -2.135 -12.013 10.467 981 HA LYS 124 HA LYS 124 -1.741 -10.900 13.088 982 HB2 LYS 124 2HB LYS 124 -2.968 -13.478 12.075 983 HB3 LYS 124 1HB LYS 124 -2.925 -13.031 13.776 984 HG2 LYS 124 2HG LYS 124 -4.440 -11.301 13.494 985 HG3 LYS 124 1HG LYS 124 -4.085 -11.137 11.775 986 HD2 LYS 124 2HD LYS 124 -5.235 -13.262 11.342 987 HD3 LYS 124 1HD LYS 124 -5.593 -13.417 13.065 988 HE2 LYS 124 2HE LYS 124 -6.951 -11.424 13.011 989 HE3 LYS 124 1HE LYS 124 -6.491 -11.104 11.342 990 HZ1 LYS 124 3HZ LYS 124 -7.775 -12.901 10.582 991 HZ2 LYS 124 1HZ LYS 124 -8.752 -12.140 11.736 992 HZ3 LYS 124 2HZ LYS 124 -7.938 -13.571 12.126 993 H LYS 125 HN LYS 125 -1.008 -12.674 14.818 994 HA LYS 125 HA LYS 125 1.708 -12.900 14.715 995 HB2 LYS 125 2HB LYS 125 0.221 -13.334 16.700 996 HB3 LYS 125 1HB LYS 125 -0.044 -14.947 16.066 997 HG2 LYS 125 2HG LYS 125 2.312 -15.448 16.245 998 HG3 LYS 125 1HG LYS 125 2.642 -13.804 16.793 999 HD2 LYS 125 2HD LYS 125 1.211 -14.205 18.759 1000 HD3 LYS 125 1HD LYS 125 0.975 -15.869 18.220 1001 HE2 LYS 125 2HE LYS 125 3.360 -16.292 18.419 1002 HE3 LYS 125 1HE LYS 125 3.636 -14.612 18.871 1003 HZ1 LYS 125 3HZ LYS 125 3.600 -16.083 20.798 1004 HZ2 LYS 125 1HZ LYS 125 2.018 -16.558 20.427 1005 HZ3 LYS 125 2HZ LYS 125 2.339 -14.951 20.869 1006 H ASP 126 HN ASP 126 -0.537 -15.554 14.051 1007 HA ASP 126 HA ASP 126 1.250 -16.378 11.895 1008 HB2 ASP 126 2HB ASP 126 1.830 -17.813 13.840 1009 HB3 ASP 126 1HB ASP 126 0.163 -18.388 13.872 1010 H GLY 127 HN GLY 127 -0.582 -15.146 10.947 1011 HA2 GLY 127 2HA GLY 127 -2.066 -16.920 9.387 1012 HA3 GLY 127 1HA GLY 127 -3.129 -16.299 10.641 1013 H VAL 128 HN VAL 128 -2.748 -15.888 7.622 1014 HA VAL 128 HA VAL 128 -2.504 -12.970 7.659 1015 HB VAL 128 HB VAL 128 -1.039 -14.131 6.066 1016 HG11 VAL 128 1HG1 VAL 128 -3.578 -15.074 4.750 1017 HG12 VAL 128 2HG1 VAL 128 -2.391 -16.085 5.573 1018 HG13 VAL 128 3HG1 VAL 128 -1.954 -15.241 4.087 1019 HG21 VAL 128 3HG2 VAL 128 -1.764 -11.888 5.563 1020 HG22 VAL 128 1HG2 VAL 128 -3.208 -12.509 4.766 1021 HG23 VAL 128 2HG2 VAL 128 -1.615 -12.831 4.079 1022 H ASP 129 HN ASP 129 -4.265 -11.749 7.488 1023 HA ASP 129 HA ASP 129 -6.783 -13.086 6.748 1024 HB2 ASP 129 2HB ASP 129 -6.372 -11.953 9.056 1025 HB3 ASP 129 1HB ASP 129 -6.655 -10.456 8.180 1026 H GLU 130 HN GLU 130 -7.559 -12.598 4.835 1027 HA GLU 130 HA GLU 130 -6.368 -10.436 3.350 1028 HB2 GLU 130 2HB GLU 130 -7.456 -11.397 1.426 1029 HB3 GLU 130 1HB GLU 130 -6.627 -12.649 2.323 1030 HG2 GLU 130 2HG GLU 130 -8.711 -13.440 3.224 1031 HG3 GLU 130 1HG GLU 130 -9.580 -12.097 2.485 1032 H GLU 131 HN GLU 131 -7.200 -8.508 3.121 1033 HA GLU 131 HA GLU 131 -10.063 -8.084 3.594 1034 HB2 GLU 131 2HB GLU 131 -8.367 -6.693 4.830 1035 HB3 GLU 131 1HB GLU 131 -7.861 -6.033 3.283 1036 HG2 GLU 131 2HG GLU 131 -9.378 -4.544 4.485 1037 HG3 GLU 131 1HG GLU 131 -10.039 -5.068 2.938 1038 H GLU 132 HN GLU 132 -11.374 -7.294 1.953 1039 HA GLU 132 HA GLU 132 -10.378 -7.986 -0.667 1040 HB2 GLU 132 2HB GLU 132 -12.672 -8.587 0.370 1041 HB3 GLU 132 1HB GLU 132 -13.139 -6.963 -0.115 1042 HG2 GLU 132 2HG GLU 132 -13.777 -8.635 -1.769 1043 HG3 GLU 132 1HG GLU 132 -12.631 -7.463 -2.422 1044 H ILE 133 HN ILE 133 -10.174 -6.691 -2.415 1045 HA ILE 133 HA ILE 133 -9.870 -3.846 -1.843 1046 HB ILE 133 HB ILE 133 -9.020 -5.458 -4.257 1047 HG12 ILE 133 2HG1 ILE 133 -7.812 -6.004 -2.146 1048 HG13 ILE 133 1HG1 ILE 133 -6.772 -5.318 -3.391 1049 HG21 ILE 133 1HG2 ILE 133 -7.726 -3.500 -4.909 1050 HG22 ILE 133 2HG2 ILE 133 -8.353 -2.612 -3.521 1051 HG23 ILE 133 3HG2 ILE 133 -9.446 -3.116 -4.810 1052 HD11 ILE 133 3HD1 ILE 133 -6.229 -4.418 -1.211 1053 HD12 ILE 133 1HD1 ILE 133 -7.889 -3.860 -1.007 1054 HD13 ILE 133 2HD1 ILE 133 -6.868 -3.151 -2.259 1055 H ILE 134 HN ILE 134 -11.495 -2.543 -2.275 1056 HA ILE 134 HA ILE 134 -13.323 -3.181 -4.477 1057 HB ILE 134 HB ILE 134 -13.600 -1.040 -2.358 1058 HG12 ILE 134 2HG1 ILE 134 -13.666 -3.268 -1.347 1059 HG13 ILE 134 1HG1 ILE 134 -15.261 -2.527 -1.317 1060 HG21 ILE 134 1HG2 ILE 134 -15.941 -0.944 -3.098 1061 HG22 ILE 134 2HG2 ILE 134 -15.579 -2.115 -4.366 1062 HG23 ILE 134 3HG2 ILE 134 -14.819 -0.522 -4.392 1063 HD11 ILE 134 3HD1 ILE 134 -15.376 -4.884 -1.883 1064 HD12 ILE 134 1HD1 ILE 134 -14.327 -4.611 -3.274 1065 HD13 ILE 134 2HD1 ILE 134 -15.933 -3.882 -3.223 1066 H LEU 135 HN LEU 135 -13.074 -2.148 -6.369 1067 HA LEU 135 HA LEU 135 -11.228 0.095 -6.509 1068 HB2 LEU 135 2HB LEU 135 -12.591 -1.514 -8.667 1069 HB3 LEU 135 1HB LEU 135 -11.512 -0.168 -8.980 1070 HG LEU 135 HG LEU 135 -10.784 -2.792 -7.677 1071 HD11 LEU 135 1HD1 LEU 135 -9.364 -3.074 -9.634 1072 HD12 LEU 135 2HD1 LEU 135 -9.935 -1.539 -10.284 1073 HD13 LEU 135 3HD1 LEU 135 -11.055 -2.891 -10.104 1074 HD21 LEU 135 3HD2 LEU 135 -9.066 -0.375 -8.214 1075 HD22 LEU 135 1HD2 LEU 135 -8.500 -1.937 -7.622 1076 HD23 LEU 135 2HD2 LEU 135 -9.574 -0.954 -6.627 1077 H LYS 136 HN LYS 136 -11.829 2.135 -6.687 1078 HA LYS 136 HA LYS 136 -14.673 2.687 -7.204 1079 HB2 LYS 136 2HB LYS 136 -13.184 3.433 -5.053 1080 HB3 LYS 136 1HB LYS 136 -13.011 4.841 -6.081 1081 HG2 LYS 136 2HG LYS 136 -14.849 5.293 -4.711 1082 HG3 LYS 136 1HG LYS 136 -15.529 4.850 -6.274 1083 HD2 LYS 136 2HD LYS 136 -15.237 2.919 -3.977 1084 HD3 LYS 136 1HD LYS 136 -16.688 3.875 -4.260 1085 HE2 LYS 136 2HE LYS 136 -16.843 2.837 -6.524 1086 HE3 LYS 136 1HE LYS 136 -15.491 1.794 -6.084 1087 HZ1 LYS 136 3HZ LYS 136 -16.904 1.074 -4.142 1088 HZ2 LYS 136 1HZ LYS 136 -17.440 0.564 -5.671 1089 HZ3 LYS 136 2HZ LYS 136 -18.201 1.860 -4.890 1090 H GLU 137 HN GLU 137 -15.101 4.809 -8.270 1091 HA GLU 137 HA GLU 137 -13.842 4.725 -10.810 1092 HB2 GLU 137 2HB GLU 137 -15.714 6.835 -9.766 1093 HB3 GLU 137 1HB GLU 137 -15.421 6.409 -11.430 1094 HG2 GLU 137 2HG GLU 137 -17.481 5.453 -10.999 1095 HG3 GLU 137 1HG GLU 137 -16.368 4.101 -10.782 1096 H GLU 138 HN GLU 138 -13.564 6.735 -8.052 1097 HA GLU 138 HA GLU 138 -11.222 8.074 -8.845 1098 HB2 GLU 138 2HB GLU 138 -12.831 9.121 -10.456 1099 HB3 GLU 138 1HB GLU 138 -13.735 9.751 -9.089 1100 HG2 GLU 138 2HG GLU 138 -12.229 11.393 -10.179 1101 HG3 GLU 138 1HG GLU 138 -11.935 11.171 -8.454 1102 H LEU 139 HN LEU 139 -10.671 9.878 -7.331 1103 HA LEU 139 HA LEU 139 -11.038 9.084 -4.681 1104 HB2 LEU 139 2HB LEU 139 -10.186 11.765 -5.770 1105 HB3 LEU 139 1HB LEU 139 -10.014 11.266 -4.099 1106 HG LEU 139 HG LEU 139 -8.670 9.952 -6.456 1107 HD11 LEU 139 1HD1 LEU 139 -6.619 10.907 -5.539 1108 HD12 LEU 139 2HD1 LEU 139 -7.559 11.731 -4.295 1109 HD13 LEU 139 3HD1 LEU 139 -7.770 12.165 -5.992 1110 HD21 LEU 139 3HD2 LEU 139 -9.146 8.370 -4.661 1111 HD22 LEU 139 1HD2 LEU 139 -8.379 9.451 -3.497 1112 HD23 LEU 139 2HD2 LEU 139 -7.418 8.702 -4.772 1113 H GLU 140 HN GLU 140 -12.125 9.962 -2.971 1114 HA GLU 140 HA GLU 140 -14.102 10.344 -1.942 1115 HB2 GLU 140 2HB GLU 140 -14.740 12.642 -1.826 1116 HB3 GLU 140 1HB GLU 140 -12.993 12.557 -1.956 1117 HG2 GLU 140 2HG GLU 140 -13.079 13.224 -4.263 1118 HG3 GLU 140 1HG GLU 140 -14.842 13.158 -4.253 1119 H HIS 141 HN HIS 141 -14.395 9.213 -4.756 1120 HA HIS 141 HA HIS 141 -17.250 9.915 -5.021 1121 HB2 HIS 141 2HB HIS 141 -15.780 10.655 -6.951 1122 HB3 HIS 141 1HB HIS 141 -15.496 8.951 -7.287 1123 HD1 HIS 141 1HD HIS 141 -17.489 7.583 -8.300 1124 HD2 HIS 141 2HD HIS 141 -18.294 11.622 -7.663 1125 HE1 HIS 141 1HE HIS 141 -19.608 8.066 -9.558 1126 HE2 HIS 141 2HE HIS 141 -20.188 10.448 -8.972 1127 H HIS 142 HN HIS 142 -17.906 8.257 -3.653 1128 HA HIS 142 HA HIS 142 -17.143 5.512 -4.399 1129 HB2 HIS 142 2HB HIS 142 -18.586 6.491 -1.921 1130 HB3 HIS 142 1HB HIS 142 -17.992 4.861 -2.202 1131 HD1 HIS 142 1HD HIS 142 -17.155 7.698 -0.338 1132 HD2 HIS 142 2HD HIS 142 -14.944 5.106 -2.731 1133 HE1 HIS 142 1HE HIS 142 -14.761 7.971 0.393 1134 HE2 HIS 142 2HE HIS 142 -13.472 6.282 -0.956 1135 H HIS 143 HN HIS 143 -18.763 6.529 -6.241 1136 HA HIS 143 HA HIS 143 -20.763 6.603 -7.277 1137 HB2 HIS 143 2HB HIS 143 -21.268 4.275 -5.435 1138 HB3 HIS 143 1HB HIS 143 -22.512 4.867 -6.531 1139 HD1 HIS 143 1HD HIS 143 -20.202 2.278 -6.399 1140 HD2 HIS 143 2HD HIS 143 -21.125 5.094 -9.314 1141 HE1 HIS 143 1HE HIS 143 -19.386 1.299 -8.572 1142 HE2 HIS 143 2HE HIS 143 -19.805 3.101 -10.291 1143 H HIS 144 HN HIS 144 -21.208 8.654 -6.627 1144 HA HIS 144 HA HIS 144 -23.529 9.006 -4.992 1145 HB2 HIS 144 2HB HIS 144 -21.767 8.979 -3.248 1146 HB3 HIS 144 1HB HIS 144 -20.924 10.274 -4.088 1147 HD1 HIS 144 1HD HIS 144 -21.420 12.553 -3.266 1148 HD2 HIS 144 2HD HIS 144 -24.474 9.871 -2.362 1149 HE1 HIS 144 1HE HIS 144 -23.064 13.840 -1.859 1150 HE2 HIS 144 2HE HIS 144 -24.832 12.169 -1.214 1151 H HIS 145 HN HIS 145 -24.081 9.594 -7.172 1152 HA HIS 145 HA HIS 145 -24.710 11.123 -8.720 1153 HB2 HIS 145 2HB HIS 145 -25.063 12.559 -6.680 1154 HB3 HIS 145 1HB HIS 145 -23.463 13.236 -6.955 1155 HD1 HIS 145 1HD HIS 145 -23.860 15.539 -7.795 1156 HD2 HIS 145 2HD HIS 145 -26.401 12.770 -9.572 1157 HE1 HIS 145 1HE HIS 145 -25.141 16.815 -9.538 1158 HE2 HIS 145 2HE HIS 145 -26.471 15.061 -10.768 1159 H HIS 146 HN HIS 146 -23.875 12.306 -10.537 1160 HA HIS 146 HA HIS 146 -20.977 11.981 -10.852 1161 HB2 HIS 146 2HB HIS 146 -22.456 10.854 -12.502 1162 HB3 HIS 146 1HB HIS 146 -23.103 12.422 -12.967 1163 HD1 HIS 146 1HD HIS 146 -21.525 13.986 -14.347 1164 HD2 HIS 146 2HD HIS 146 -19.991 10.201 -13.594 1165 HE1 HIS 146 1HE HIS 146 -19.598 13.713 -15.933 1166 HE2 HIS 146 2HE HIS 146 -18.841 11.334 -15.619 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -13.436 -2.902 4.695 2 H2 MET 1 H2 MET 1 -12.032 -3.838 4.507 3 H3 MET 1 H3 MET 1 -13.559 -4.550 4.313 4 HA MET 1 HA MET 1 -12.519 -4.187 2.194 5 HB2 MET 1 2HB MET 1 -14.969 -3.995 2.366 6 HB3 MET 1 1HB MET 1 -14.806 -2.275 2.686 7 HG2 MET 1 2HG MET 1 -13.601 -2.162 0.437 8 HG3 MET 1 1HG MET 1 -14.252 -3.772 0.152 9 HE1 MET 1 2HE MET 1 -15.809 -0.704 2.042 10 HE2 MET 1 3HE MET 1 -16.780 0.025 0.763 11 HE3 MET 1 1HE MET 1 -15.020 0.014 0.638 12 H ILE 2 HN ILE 2 -11.114 -3.070 1.072 13 HA ILE 2 HA ILE 2 -10.553 -0.315 1.927 14 HB ILE 2 HB ILE 2 -8.619 -1.770 2.135 15 HG12 ILE 2 2HG1 ILE 2 -8.268 0.060 -0.248 16 HG13 ILE 2 1HG1 ILE 2 -8.308 0.598 1.428 17 HG21 ILE 2 1HG2 ILE 2 -7.588 -2.840 0.192 18 HG22 ILE 2 2HG2 ILE 2 -8.940 -2.316 -0.811 19 HG23 ILE 2 3HG2 ILE 2 -9.209 -3.462 0.501 20 HD11 ILE 2 3HD1 ILE 2 -6.272 -1.242 0.189 21 HD12 ILE 2 1HD1 ILE 2 -6.319 -0.764 1.887 22 HD13 ILE 2 2HD1 ILE 2 -6.032 0.447 0.640 23 H THR 3 HN THR 3 -10.629 1.343 0.490 24 HA THR 3 HA THR 3 -11.523 0.675 -2.230 25 HB THR 3 HB THR 3 -12.450 2.972 -0.498 26 HG1 THR 3 1HG THR 3 -13.260 0.492 -0.581 27 HG21 THR 3 3HG2 THR 3 -12.305 3.628 -2.846 28 HG22 THR 3 1HG2 THR 3 -13.988 3.474 -2.346 29 HG23 THR 3 2HG2 THR 3 -13.235 2.204 -3.313 30 H LEU 4 HN LEU 4 -10.209 1.348 -3.731 31 HA LEU 4 HA LEU 4 -9.032 3.995 -3.507 32 HB2 LEU 4 2HB LEU 4 -6.904 3.089 -4.556 33 HB3 LEU 4 1HB LEU 4 -7.147 2.776 -2.853 34 HG LEU 4 HG LEU 4 -8.076 0.473 -3.671 35 HD11 LEU 4 1HD1 LEU 4 -8.144 0.937 -6.033 36 HD12 LEU 4 2HD1 LEU 4 -6.937 -0.312 -5.722 37 HD13 LEU 4 3HD1 LEU 4 -6.430 1.347 -6.040 38 HD21 LEU 4 3HD2 LEU 4 -5.838 -0.470 -3.533 39 HD22 LEU 4 1HD2 LEU 4 -6.046 0.810 -2.339 40 HD23 LEU 4 2HD2 LEU 4 -5.134 1.121 -3.815 41 H THR 5 HN THR 5 -8.172 4.675 -5.703 42 HA THR 5 HA THR 5 -10.347 4.049 -7.533 43 HB THR 5 HB THR 5 -9.793 6.085 -8.698 44 HG1 THR 5 1HG THR 5 -7.914 7.224 -7.291 45 HG21 THR 5 3HG2 THR 5 -9.644 6.470 -5.706 46 HG22 THR 5 1HG2 THR 5 -11.115 6.340 -6.669 47 HG23 THR 5 2HG2 THR 5 -10.044 7.726 -6.879 48 H LYS 6 HN LYS 6 -9.917 3.892 -9.838 49 HA LYS 6 HA LYS 6 -8.071 1.952 -10.583 50 HB2 LYS 6 2HB LYS 6 -10.132 2.829 -11.818 51 HB3 LYS 6 1HB LYS 6 -9.108 4.120 -12.407 52 HG2 LYS 6 2HG LYS 6 -8.130 1.363 -12.828 53 HG3 LYS 6 1HG LYS 6 -9.538 1.869 -13.763 54 HD2 LYS 6 2HD LYS 6 -6.876 3.288 -13.654 55 HD3 LYS 6 1HD LYS 6 -7.469 2.296 -14.988 56 HE2 LYS 6 2HE LYS 6 -9.373 3.855 -15.245 57 HE3 LYS 6 1HE LYS 6 -8.681 4.867 -13.979 58 HZ1 LYS 6 3HZ LYS 6 -7.614 4.336 -16.687 59 HZ2 LYS 6 1HZ LYS 6 -6.631 4.953 -15.445 60 HZ3 LYS 6 2HZ LYS 6 -7.989 5.824 -15.971 61 H LYS 7 HN LYS 7 -7.892 5.446 -10.713 62 HA LYS 7 HA LYS 7 -5.416 5.839 -11.882 63 HB2 LYS 7 2HB LYS 7 -7.069 7.573 -11.475 64 HB3 LYS 7 1HB LYS 7 -6.909 7.371 -9.746 65 HG2 LYS 7 2HG LYS 7 -4.514 8.139 -11.306 66 HG3 LYS 7 1HG LYS 7 -5.768 9.339 -11.004 67 HD2 LYS 7 2HD LYS 7 -5.623 8.769 -8.580 68 HD3 LYS 7 1HD LYS 7 -4.241 7.743 -8.959 69 HE2 LYS 7 2HE LYS 7 -3.050 9.704 -9.839 70 HE3 LYS 7 1HE LYS 7 -4.429 10.719 -9.408 71 HZ1 LYS 7 3HZ LYS 7 -4.104 10.042 -7.084 72 HZ2 LYS 7 1HZ LYS 7 -2.742 10.838 -7.707 73 HZ3 LYS 7 2HZ LYS 7 -2.738 9.149 -7.532 74 H GLN 8 HN GLN 8 -6.197 5.489 -8.395 75 HA GLN 8 HA GLN 8 -3.552 5.653 -7.417 76 HB2 GLN 8 2HB GLN 8 -5.760 3.918 -6.278 77 HB3 GLN 8 1HB GLN 8 -4.353 4.519 -5.422 78 HG2 GLN 8 2HG GLN 8 -6.572 6.224 -6.521 79 HG3 GLN 8 1HG GLN 8 -6.432 5.693 -4.850 80 HE21 GLN 8 1HE2 GLN 8 -4.818 6.587 -3.547 81 HE22 GLN 8 2HE2 GLN 8 -4.036 8.071 -3.961 82 H MET 9 HN MET 9 -5.472 2.894 -8.515 83 HA MET 9 HA MET 9 -3.606 0.864 -7.997 84 HB2 MET 9 2HB MET 9 -5.935 0.386 -8.574 85 HB3 MET 9 1HB MET 9 -5.693 1.054 -10.181 86 HG2 MET 9 2HG MET 9 -5.685 -1.348 -10.284 87 HG3 MET 9 1HG MET 9 -4.082 -0.727 -10.670 88 HE1 MET 9 3HE MET 9 -6.309 -2.576 -8.027 89 HE2 MET 9 1HE MET 9 -5.818 -1.129 -7.152 90 HE3 MET 9 2HE MET 9 -5.209 -2.707 -6.653 91 H GLU 10 HN GLU 10 -4.131 2.858 -10.885 92 HA GLU 10 HA GLU 10 -2.128 1.754 -12.483 93 HB2 GLU 10 2HB GLU 10 -3.604 4.348 -12.386 94 HB3 GLU 10 1HB GLU 10 -2.254 4.184 -13.475 95 HG2 GLU 10 2HG GLU 10 -3.395 2.123 -14.388 96 HG3 GLU 10 1HG GLU 10 -4.804 2.617 -13.451 97 H GLU 11 HN GLU 11 -2.047 4.381 -10.114 98 HA GLU 11 HA GLU 11 0.573 5.242 -10.531 99 HB2 GLU 11 2HB GLU 11 -1.409 5.366 -8.324 100 HB3 GLU 11 1HB GLU 11 0.250 5.724 -7.911 101 HG2 GLU 11 2HG GLU 11 0.275 7.423 -9.727 102 HG3 GLU 11 1HG GLU 11 -1.444 7.113 -9.960 103 H MET 12 HN MET 12 -0.703 2.705 -8.417 104 HA MET 12 HA MET 12 1.833 1.951 -7.373 105 HB2 MET 12 2HB MET 12 -0.777 0.425 -7.536 106 HB3 MET 12 1HB MET 12 0.638 -0.126 -6.649 107 HG2 MET 12 2HG MET 12 0.517 1.887 -5.245 108 HG3 MET 12 1HG MET 12 -0.932 2.389 -6.116 109 HE1 MET 12 3HE MET 12 -3.417 -0.525 -5.179 110 HE2 MET 12 1HE MET 12 -2.341 -0.436 -6.573 111 HE3 MET 12 2HE MET 12 -3.233 0.994 -6.057 112 H LEU 13 HN LEU 13 -0.218 0.645 -9.961 113 HA LEU 13 HA LEU 13 1.366 -1.534 -10.679 114 HB2 LEU 13 2HB LEU 13 -0.545 0.150 -12.287 115 HB3 LEU 13 1HB LEU 13 0.217 -1.289 -12.929 116 HG LEU 13 HG LEU 13 -1.656 -1.177 -10.565 117 HD11 LEU 13 1HD1 LEU 13 -1.978 -2.280 -13.350 118 HD12 LEU 13 2HD1 LEU 13 -2.790 -0.865 -12.679 119 HD13 LEU 13 3HD1 LEU 13 -3.140 -2.470 -12.036 120 HD21 LEU 13 3HD2 LEU 13 -0.308 -3.540 -11.871 121 HD22 LEU 13 1HD2 LEU 13 -1.543 -3.619 -10.614 122 HD23 LEU 13 2HD2 LEU 13 0.033 -2.910 -10.259 123 H ALA 14 HN ALA 14 1.421 1.790 -11.908 124 HA ALA 14 HA ALA 14 3.381 1.394 -13.885 125 HB1 ALA 14 1HB ALA 14 2.789 3.899 -12.310 126 HB2 ALA 14 2HB ALA 14 1.969 3.387 -13.783 127 HB3 ALA 14 3HB ALA 14 3.679 3.812 -13.832 128 H HIS 15 HN HIS 15 3.636 2.288 -10.456 129 HA HIS 15 HA HIS 15 6.454 2.642 -10.480 130 HB2 HIS 15 2HB HIS 15 4.945 3.518 -8.696 131 HB3 HIS 15 1HB HIS 15 4.707 1.871 -8.136 132 HD1 HIS 15 1HD HIS 15 7.394 4.510 -8.408 133 HD2 HIS 15 2HD HIS 15 6.675 0.879 -6.501 134 HE1 HIS 15 1HE HIS 15 9.293 4.200 -6.797 135 HE2 HIS 15 2HE HIS 15 8.731 2.103 -5.513 136 H ALA 16 HN ALA 16 4.351 -0.104 -9.819 137 HA ALA 16 HA ALA 16 6.277 -1.900 -8.876 138 HB1 ALA 16 1HB ALA 16 3.787 -2.522 -10.458 139 HB2 ALA 16 2HB ALA 16 3.874 -2.303 -8.710 140 HB3 ALA 16 3HB ALA 16 4.703 -3.660 -9.471 141 H ARG 17 HN ARG 17 5.047 -1.483 -12.206 142 HA ARG 17 HA ARG 17 6.807 -3.389 -13.350 143 HB2 ARG 17 2HB ARG 17 5.443 -1.048 -14.690 144 HB3 ARG 17 1HB ARG 17 6.184 -2.412 -15.514 145 HG2 ARG 17 2HG ARG 17 4.538 -3.865 -14.201 146 HG3 ARG 17 1HG ARG 17 3.690 -2.356 -13.857 147 HD2 ARG 17 2HD ARG 17 4.309 -3.484 -16.584 148 HD3 ARG 17 1HD ARG 17 2.731 -3.453 -15.801 149 HE ARG 17 HE ARG 17 2.862 -0.990 -15.961 150 HH11 ARG 17 1HH1 ARG 17 4.934 -2.917 -18.025 151 HH12 ARG 17 2HH1 ARG 17 4.955 -1.751 -19.313 152 HH21 ARG 17 1HH2 ARG 17 2.901 0.571 -17.652 153 HH22 ARG 17 2HH2 ARG 17 3.821 0.235 -19.097 154 H GLN 18 HN GLN 18 7.065 0.020 -12.694 155 HA GLN 18 HA GLN 18 9.337 0.678 -14.163 156 HB2 GLN 18 2HB GLN 18 7.936 2.321 -13.028 157 HB3 GLN 18 1HB GLN 18 8.416 1.676 -11.468 158 HG2 GLN 18 2HG GLN 18 10.769 2.329 -12.033 159 HG3 GLN 18 1HG GLN 18 10.117 3.175 -13.439 160 HE21 GLN 18 1HE2 GLN 18 8.810 5.003 -13.113 161 HE22 GLN 18 2HE2 GLN 18 8.791 5.851 -11.606 162 H ALA 19 HN ALA 19 9.031 -0.769 -10.961 163 HA ALA 19 HA ALA 19 11.949 -0.744 -10.676 164 HB1 ALA 19 1HB ALA 19 10.618 0.276 -8.893 165 HB2 ALA 19 2HB ALA 19 11.569 -1.092 -8.315 166 HB3 ALA 19 3HB ALA 19 9.838 -1.278 -8.596 167 H LEU 20 HN LEU 20 10.202 -2.796 -12.217 168 HA LEU 20 HA LEU 20 10.551 -5.240 -10.781 169 HB2 LEU 20 2HB LEU 20 9.942 -4.637 -13.664 170 HB3 LEU 20 1HB LEU 20 10.129 -6.272 -13.066 171 HG LEU 20 HG LEU 20 8.040 -4.289 -12.162 172 HD11 LEU 20 1HD1 LEU 20 7.598 -5.124 -14.387 173 HD12 LEU 20 2HD1 LEU 20 6.474 -5.849 -13.239 174 HD13 LEU 20 3HD1 LEU 20 7.842 -6.782 -13.842 175 HD21 LEU 20 3HD2 LEU 20 8.478 -7.169 -11.368 176 HD22 LEU 20 1HD2 LEU 20 7.100 -6.169 -10.903 177 HD23 LEU 20 2HD2 LEU 20 8.719 -5.757 -10.339 178 HA PRO 21 HA PRO 21 10.993 -6.974 -10.640 179 HB2 PRO 21 2HB PRO 21 12.622 -9.053 -10.012 180 HB3 PRO 21 1HB PRO 21 11.809 -8.904 -11.573 181 HG2 PRO 21 2HG PRO 21 14.643 -8.678 -10.956 182 HG3 PRO 21 1HG PRO 21 13.858 -8.776 -12.538 183 HD2 PRO 21 2HD PRO 21 14.817 -6.417 -11.078 184 HD3 PRO 21 1HD PRO 21 14.386 -6.579 -12.793 185 H ASN 22 HN ASN 22 10.761 -5.706 -8.814 186 HA ASN 22 HA ASN 22 12.390 -6.545 -6.542 187 HB2 ASN 22 2HB ASN 22 11.794 -3.675 -7.279 188 HB3 ASN 22 1HB ASN 22 12.217 -4.163 -5.647 189 HD21 ASN 22 1HD2 ASN 22 13.346 -3.554 -8.829 190 HD22 ASN 22 2HD2 ASN 22 15.041 -3.739 -8.496 191 H GLU 23 HN GLU 23 11.188 -5.342 -4.511 192 HA GLU 23 HA GLU 23 8.535 -6.421 -4.502 193 HB2 GLU 23 2HB GLU 23 10.479 -5.757 -2.578 194 HB3 GLU 23 1HB GLU 23 9.093 -4.730 -2.236 195 HG2 GLU 23 2HG GLU 23 8.651 -7.638 -2.680 196 HG3 GLU 23 1HG GLU 23 9.343 -7.102 -1.151 197 H ALA 24 HN ALA 24 10.006 -3.370 -4.972 198 HA ALA 24 HA ALA 24 9.231 -1.306 -5.586 199 HB1 ALA 24 1HB ALA 24 8.748 -2.666 -7.556 200 HB2 ALA 24 2HB ALA 24 7.565 -1.371 -7.359 201 HB3 ALA 24 3HB ALA 24 7.145 -3.027 -6.917 202 H CYS 25 HN CYS 25 8.503 -1.571 -3.041 203 HA CYS 25 HA CYS 25 5.608 -1.101 -2.926 204 HB2 CYS 25 2HB CYS 25 5.978 -1.890 -0.484 205 HB3 CYS 25 1HB CYS 25 5.953 -3.081 -1.781 206 HG CYS 25 HG CYS 25 8.014 -4.160 -0.668 207 H GLY 26 HN GLY 26 4.919 0.113 -0.932 208 HA2 GLY 26 2HA GLY 26 6.716 2.105 0.101 209 HA3 GLY 26 1HA GLY 26 5.598 2.739 -1.100 210 H LEU 27 HN LEU 27 4.369 4.007 0.259 211 HA LEU 27 HA LEU 27 2.892 2.562 2.368 212 HB2 LEU 27 2HB LEU 27 3.957 5.385 2.436 213 HB3 LEU 27 1HB LEU 27 2.833 4.733 3.613 214 HG LEU 27 HG LEU 27 5.614 3.661 3.122 215 HD11 LEU 27 1HD1 LEU 27 5.668 5.914 4.074 216 HD12 LEU 27 2HD1 LEU 27 6.192 4.705 5.246 217 HD13 LEU 27 3HD1 LEU 27 4.575 5.397 5.361 218 HD21 LEU 27 3HD2 LEU 27 4.038 1.988 3.962 219 HD22 LEU 27 1HD2 LEU 27 3.603 3.063 5.292 220 HD23 LEU 27 2HD2 LEU 27 5.238 2.411 5.182 221 H LEU 28 HN LEU 28 0.792 3.469 2.907 222 HA LEU 28 HA LEU 28 -0.424 5.007 0.706 223 HB2 LEU 28 2HB LEU 28 -1.580 2.647 2.188 224 HB3 LEU 28 1HB LEU 28 -2.514 3.691 1.134 225 HG LEU 28 HG LEU 28 -0.163 2.005 0.266 226 HD11 LEU 28 1HD1 LEU 28 -1.828 0.624 -0.865 227 HD12 LEU 28 2HD1 LEU 28 -3.120 1.612 -0.181 228 HD13 LEU 28 3HD1 LEU 28 -2.096 0.644 0.878 229 HD21 LEU 28 3HD2 LEU 28 -0.401 4.017 -1.075 230 HD22 LEU 28 1HD2 LEU 28 -2.112 3.676 -1.319 231 HD23 LEU 28 2HD2 LEU 28 -0.891 2.601 -2.002 232 H GLY 29 HN GLY 29 -1.722 6.660 1.274 233 HA2 GLY 29 2HA GLY 29 -2.258 7.023 4.158 234 HA3 GLY 29 1HA GLY 29 -1.732 8.343 3.124 235 H GLY 30 HN GLY 30 -4.073 8.370 4.682 236 HA2 GLY 30 2HA GLY 30 -5.920 9.577 3.177 237 HA3 GLY 30 1HA GLY 30 -6.295 7.885 2.875 238 H ARG 31 HN ARG 31 -8.156 7.585 3.932 239 HA ARG 31 HA ARG 31 -8.187 8.218 6.813 240 HB2 ARG 31 2HB ARG 31 -10.157 8.760 4.708 241 HB3 ARG 31 1HB ARG 31 -10.831 8.051 6.162 242 HG2 ARG 31 2HG ARG 31 -9.008 10.414 6.319 243 HG3 ARG 31 1HG ARG 31 -10.725 10.611 5.960 244 HD2 ARG 31 2HD ARG 31 -9.645 9.140 8.360 245 HD3 ARG 31 1HD ARG 31 -10.159 10.828 8.378 246 HE ARG 31 HE ARG 31 -12.327 9.579 7.381 247 HH11 ARG 31 1HH1 ARG 31 -10.356 8.905 10.215 248 HH12 ARG 31 2HH1 ARG 31 -11.687 8.278 11.130 249 HH21 ARG 31 1HH2 ARG 31 -14.057 8.774 8.605 250 HH22 ARG 31 2HH2 ARG 31 -13.794 8.230 10.237 251 H ARG 32 HN ARG 32 -8.584 6.572 8.150 252 HA ARG 32 HA ARG 32 -9.485 4.068 6.917 253 HB2 ARG 32 2HB ARG 32 -8.103 2.793 8.459 254 HB3 ARG 32 1HB ARG 32 -7.119 3.890 7.504 255 HG2 ARG 32 2HG ARG 32 -6.823 5.356 9.357 256 HG3 ARG 32 1HG ARG 32 -8.013 4.469 10.317 257 HD2 ARG 32 2HD ARG 32 -6.571 2.485 10.251 258 HD3 ARG 32 1HD ARG 32 -5.384 3.382 9.309 259 HE ARG 32 HE ARG 32 -5.265 4.889 11.347 260 HH11 ARG 32 1HH1 ARG 32 -6.111 1.493 11.565 261 HH12 ARG 32 2HH1 ARG 32 -5.448 1.299 13.158 262 HH21 ARG 32 1HH2 ARG 32 -4.380 4.616 13.453 263 HH22 ARG 32 2HH2 ARG 32 -4.474 3.056 14.217 264 H ASP 33 HN ASP 33 -11.131 3.097 7.736 265 HA ASP 33 HA ASP 33 -12.097 3.840 10.418 266 HB2 ASP 33 2HB ASP 33 -13.693 4.468 8.670 267 HB3 ASP 33 1HB ASP 33 -13.614 2.854 7.978 268 H GLY 34 HN GLY 34 -13.289 1.900 11.450 269 HA2 GLY 34 2HA GLY 34 -11.526 -0.274 11.633 270 HA3 GLY 34 1HA GLY 34 -13.165 -0.239 12.258 271 H ASP 35 HN ASP 35 -14.333 0.270 9.658 272 HA ASP 35 HA ASP 35 -14.248 -2.505 8.710 273 HB2 ASP 35 2HB ASP 35 -16.319 -0.333 8.413 274 HB3 ASP 35 1HB ASP 35 -16.401 -1.855 7.532 275 H ASP 36 HN ASP 36 -13.902 0.816 7.544 276 HA ASP 36 HA ASP 36 -13.190 -0.320 4.916 277 HB2 ASP 36 2HB ASP 36 -14.610 2.272 5.449 278 HB3 ASP 36 1HB ASP 36 -13.964 1.819 3.892 279 H ARG 37 HN ARG 37 -11.766 0.857 3.633 280 HA ARG 37 HA ARG 37 -9.939 2.679 5.048 281 HB2 ARG 37 2HB ARG 37 -9.058 0.474 3.160 282 HB3 ARG 37 1HB ARG 37 -8.007 1.633 3.950 283 HG2 ARG 37 2HG ARG 37 -7.756 -0.419 5.094 284 HG3 ARG 37 1HG ARG 37 -8.717 0.622 6.146 285 HD2 ARG 37 2HD ARG 37 -10.705 -0.529 5.636 286 HD3 ARG 37 1HD ARG 37 -9.981 -1.333 4.248 287 HE ARG 37 HE ARG 37 -8.969 -2.869 5.668 288 HH11 ARG 37 1HH1 ARG 37 -10.641 -0.423 7.548 289 HH12 ARG 37 2HH1 ARG 37 -10.783 -1.430 8.949 290 HH21 ARG 37 1HH2 ARG 37 -9.158 -4.182 7.481 291 HH22 ARG 37 2HH2 ARG 37 -9.918 -3.571 8.923 292 H TRP 38 HN TRP 38 -9.735 4.562 3.908 293 HA TRP 38 HA TRP 38 -10.431 4.445 1.045 294 HB2 TRP 38 2HB TRP 38 -10.788 6.765 2.958 295 HB3 TRP 38 1HB TRP 38 -11.219 6.762 1.249 296 HD1 TRP 38 1HD TRP 38 -13.225 4.943 0.554 297 HE1 TRP 38 1HE TRP 38 -15.303 4.235 1.904 298 HE3 TRP 38 3HE TRP 38 -11.709 6.418 5.209 299 HZ2 TRP 38 2HZ TRP 38 -16.180 4.309 4.580 300 HZ3 TRP 38 3HZ TRP 38 -13.228 6.062 7.108 301 HH2 TRP 38 2HH TRP 38 -15.415 5.027 6.797 302 H VAL 39 HN VAL 39 -8.740 4.650 -0.217 303 HA VAL 39 HA VAL 39 -6.304 5.914 0.804 304 HB VAL 39 HB VAL 39 -6.664 4.331 -1.747 305 HG11 VAL 39 1HG1 VAL 39 -4.183 5.066 -0.191 306 HG12 VAL 39 2HG1 VAL 39 -4.697 5.785 -1.717 307 HG13 VAL 39 3HG1 VAL 39 -4.233 4.084 -1.655 308 HG21 VAL 39 3HG2 VAL 39 -5.674 2.442 -0.521 309 HG22 VAL 39 1HG2 VAL 39 -7.235 2.921 0.143 310 HG23 VAL 39 2HG2 VAL 39 -5.747 3.383 0.968 311 H GLU 40 HN GLU 40 -5.854 7.959 0.252 312 HA GLU 40 HA GLU 40 -6.672 8.847 -2.431 313 HB2 GLU 40 2HB GLU 40 -6.742 11.186 -1.460 314 HB3 GLU 40 1HB GLU 40 -8.019 10.102 -0.942 315 HG2 GLU 40 2HG GLU 40 -7.350 11.299 0.956 316 HG3 GLU 40 1HG GLU 40 -6.668 9.684 1.134 317 H ARG 41 HN ARG 41 -4.118 8.546 -0.126 318 HA ARG 41 HA ARG 41 -2.317 10.053 -1.911 319 HB2 ARG 41 2HB ARG 41 -2.695 10.975 0.400 320 HB3 ARG 41 1HB ARG 41 -1.942 9.523 1.037 321 HG2 ARG 41 2HG ARG 41 -0.345 11.304 1.021 322 HG3 ARG 41 1HG ARG 41 0.124 10.102 -0.183 323 HD2 ARG 41 2HD ARG 41 -0.616 11.465 -1.968 324 HD3 ARG 41 1HD ARG 41 -1.474 12.552 -0.875 325 HE ARG 41 HE ARG 41 0.780 13.193 -0.010 326 HH11 ARG 41 1HH1 ARG 41 0.465 11.874 -3.257 327 HH12 ARG 41 2HH1 ARG 41 1.884 12.679 -3.849 328 HH21 ARG 41 1HH2 ARG 41 2.612 14.265 -0.808 329 HH22 ARG 41 2HH2 ARG 41 3.098 14.038 -2.464 330 H VAL 42 HN VAL 42 -0.673 8.980 -2.814 331 HA VAL 42 HA VAL 42 -0.011 6.299 -1.781 332 HB VAL 42 HB VAL 42 0.347 7.353 -4.597 333 HG11 VAL 42 1HG1 VAL 42 2.037 5.694 -3.983 334 HG12 VAL 42 2HG1 VAL 42 0.907 5.037 -5.170 335 HG13 VAL 42 3HG1 VAL 42 0.768 4.583 -3.472 336 HG21 VAL 42 3HG2 VAL 42 -2.004 7.013 -4.106 337 HG22 VAL 42 1HG2 VAL 42 -1.664 5.398 -3.484 338 HG23 VAL 42 2HG2 VAL 42 -1.426 5.752 -5.196 339 H TYR 43 HN TYR 43 2.035 5.920 -1.133 340 HA TYR 43 HA TYR 43 4.092 7.930 -1.792 341 HB2 TYR 43 2HB TYR 43 3.896 6.218 0.699 342 HB3 TYR 43 1HB TYR 43 5.202 7.336 0.330 343 HD1 TYR 43 1HD TYR 43 4.738 9.797 0.305 344 HD2 TYR 43 2HD TYR 43 1.864 6.966 1.653 345 HE1 TYR 43 1HE TYR 43 3.524 11.593 1.468 346 HE2 TYR 43 2HE TYR 43 0.644 8.751 2.817 347 HH TYR 43 HH TYR 43 1.301 12.074 2.323 348 HA PRO 44 HA PRO 44 5.488 3.965 -3.627 349 HB2 PRO 44 2HB PRO 44 6.516 5.012 -5.889 350 HB3 PRO 44 1HB PRO 44 4.790 4.689 -5.700 351 HG2 PRO 44 2HG PRO 44 6.268 7.273 -5.499 352 HG3 PRO 44 1HG PRO 44 4.681 6.942 -6.214 353 HD2 PRO 44 2HD PRO 44 5.067 8.028 -3.715 354 HD3 PRO 44 1HD PRO 44 3.610 7.148 -4.211 355 H LEU 45 HN LEU 45 7.274 3.255 -2.616 356 HA LEU 45 HA LEU 45 9.622 5.025 -2.525 357 HB2 LEU 45 2HB LEU 45 8.865 2.739 -0.705 358 HB3 LEU 45 1HB LEU 45 10.330 3.692 -0.569 359 HG LEU 45 HG LEU 45 7.518 4.739 -0.227 360 HD11 LEU 45 1HD1 LEU 45 8.217 3.301 1.609 361 HD12 LEU 45 2HD1 LEU 45 8.134 4.986 2.122 362 HD13 LEU 45 3HD1 LEU 45 9.697 4.239 1.792 363 HD21 LEU 45 3HD2 LEU 45 10.179 6.117 0.129 364 HD22 LEU 45 1HD2 LEU 45 8.598 6.803 0.505 365 HD23 LEU 45 2HD2 LEU 45 9.018 6.422 -1.164 366 H ASN 46 HN ASN 46 11.676 3.504 -2.067 367 HA ASN 46 HA ASN 46 11.719 1.475 -4.201 368 HB2 ASN 46 2HB ASN 46 12.901 3.532 -4.897 369 HB3 ASN 46 1HB ASN 46 13.921 3.430 -3.467 370 HD21 ASN 46 1HD2 ASN 46 15.818 3.272 -4.606 371 HD22 ASN 46 2HD2 ASN 46 16.244 1.863 -5.518 372 H ASN 47 HN ASN 47 13.287 -0.242 -3.887 373 HA ASN 47 HA ASN 47 13.299 -1.113 -1.154 374 HB2 ASN 47 2HB ASN 47 14.274 -2.367 -3.720 375 HB3 ASN 47 1HB ASN 47 14.392 -3.153 -2.155 376 HD21 ASN 47 1HD2 ASN 47 12.551 -3.952 -1.177 377 HD22 ASN 47 2HD2 ASN 47 11.036 -4.058 -1.999 378 H LEU 48 HN LEU 48 14.739 -0.120 0.123 379 HA LEU 48 HA LEU 48 17.287 0.801 -0.535 380 HB2 LEU 48 2HB LEU 48 16.129 -0.150 2.081 381 HB3 LEU 48 1HB LEU 48 17.732 0.540 1.955 382 HG LEU 48 HG LEU 48 16.207 2.203 2.762 383 HD11 LEU 48 1HD1 LEU 48 17.980 2.968 1.294 384 HD12 LEU 48 2HD1 LEU 48 16.535 3.965 1.117 385 HD13 LEU 48 3HD1 LEU 48 16.926 2.755 -0.105 386 HD21 LEU 48 3HD2 LEU 48 14.112 1.322 1.921 387 HD22 LEU 48 1HD2 LEU 48 14.583 1.729 0.270 388 HD23 LEU 48 2HD2 LEU 48 14.307 3.011 1.450 389 H ASP 49 HN ASP 49 16.160 -2.336 0.489 390 HA ASP 49 HA ASP 49 18.649 -3.510 1.115 391 HB2 ASP 49 2HB ASP 49 16.170 -4.952 0.160 392 HB3 ASP 49 1HB ASP 49 17.448 -5.585 1.190 393 H GLN 50 HN GLN 50 17.134 -2.800 -1.864 394 HA GLN 50 HA GLN 50 17.558 -3.259 -4.040 395 HB2 GLN 50 2HB GLN 50 19.878 -2.631 -3.399 396 HB3 GLN 50 1HB GLN 50 20.212 -4.315 -3.035 397 HG2 GLN 50 2HG GLN 50 21.095 -3.604 -5.218 398 HG3 GLN 50 1HG GLN 50 19.942 -4.929 -5.343 399 HE21 GLN 50 1HE2 GLN 50 17.948 -4.571 -6.265 400 HE22 GLN 50 2HE2 GLN 50 17.602 -3.171 -7.221 401 H SER 51 HN SER 51 16.698 -5.373 -1.939 402 HA SER 51 HA SER 51 17.113 -7.767 -3.579 403 HB2 SER 51 2HB SER 51 16.098 -7.582 -0.732 404 HB3 SER 51 1HB SER 51 16.589 -9.046 -1.589 405 HG SER 51 HG SER 51 18.459 -6.990 -1.440 406 HA PRO 52 HA PRO 52 12.975 -7.457 -4.977 407 HB2 PRO 52 2HB PRO 52 12.470 -10.012 -5.695 408 HB3 PRO 52 1HB PRO 52 13.596 -8.976 -6.583 409 HG2 PRO 52 2HG PRO 52 14.175 -11.084 -4.534 410 HG3 PRO 52 1HG PRO 52 14.992 -10.767 -6.076 411 HD2 PRO 52 2HD PRO 52 15.979 -9.926 -3.690 412 HD3 PRO 52 1HD PRO 52 16.241 -9.041 -5.206 413 H GLU 53 HN GLU 53 13.642 -9.799 -2.436 414 HA GLU 53 HA GLU 53 10.765 -9.922 -1.813 415 HB2 GLU 53 2HB GLU 53 13.023 -11.735 -0.934 416 HB3 GLU 53 1HB GLU 53 11.337 -11.930 -0.481 417 HG2 GLU 53 2HG GLU 53 12.287 -11.982 -3.331 418 HG3 GLU 53 1HG GLU 53 12.180 -13.422 -2.322 419 H HIS 54 HN HIS 54 13.228 -8.034 -0.986 420 HA HIS 54 HA HIS 54 12.505 -7.999 1.871 421 HB2 HIS 54 2HB HIS 54 15.256 -7.730 0.669 422 HB3 HIS 54 1HB HIS 54 14.878 -7.157 2.283 423 HD1 HIS 54 1HD HIS 54 16.429 -8.826 3.443 424 HD2 HIS 54 2HD HIS 54 13.517 -10.603 1.071 425 HE1 HIS 54 1HE HIS 54 16.445 -11.265 4.055 426 HE2 HIS 54 2HE HIS 54 14.524 -12.270 2.763 427 H PHE 55 HN PHE 55 12.386 -6.022 2.866 428 HA PHE 55 HA PHE 55 12.984 -3.581 1.472 429 HB2 PHE 55 2HB PHE 55 10.832 -4.212 0.437 430 HB3 PHE 55 1HB PHE 55 10.096 -4.293 2.033 431 HD1 PHE 55 2HD PHE 55 12.011 -1.894 -0.089 432 HD2 PHE 55 1HD PHE 55 8.899 -2.475 2.751 433 HE1 PHE 55 2HE PHE 55 11.410 0.486 -0.261 434 HE2 PHE 55 1HE PHE 55 8.288 -0.101 2.578 435 HZ PHE 55 HZ PHE 55 9.543 1.383 1.070 436 H SER 56 HN SER 56 14.098 -2.780 3.161 437 HA SER 56 HA SER 56 12.985 -2.937 5.852 438 HB2 SER 56 2HB SER 56 15.592 -1.830 4.809 439 HB3 SER 56 1HB SER 56 15.153 -1.951 6.504 440 HG SER 56 HG SER 56 15.652 -4.025 4.641 441 H MET 57 HN MET 57 12.528 -1.013 3.369 442 HA MET 57 HA MET 57 11.783 1.100 2.968 443 HB2 MET 57 2HB MET 57 10.152 0.178 4.745 444 HB3 MET 57 1HB MET 57 10.996 1.228 5.875 445 HG2 MET 57 2HG MET 57 10.397 3.173 4.554 446 HG3 MET 57 1HG MET 57 9.609 2.140 3.363 447 HE1 MET 57 3HE MET 57 6.580 0.715 5.414 448 HE2 MET 57 1HE MET 57 8.159 -0.018 5.121 449 HE3 MET 57 2HE MET 57 7.317 0.820 3.816 450 H ASP 58 HN ASP 58 11.750 3.473 4.353 451 HA ASP 58 HA ASP 58 14.429 3.801 5.505 452 HB2 ASP 58 2HB ASP 58 14.424 4.452 3.075 453 HB3 ASP 58 1HB ASP 58 13.211 5.671 3.453 454 HA PRO 59 HA PRO 59 11.977 6.002 8.485 455 HB2 PRO 59 2HB PRO 59 14.403 7.226 9.524 456 HB3 PRO 59 1HB PRO 59 13.397 5.970 10.247 457 HG2 PRO 59 2HG PRO 59 15.905 5.498 9.318 458 HG3 PRO 59 1HG PRO 59 14.629 4.268 9.324 459 HD2 PRO 59 2HD PRO 59 15.607 5.973 7.063 460 HD3 PRO 59 1HD PRO 59 15.183 4.247 7.071 461 H ARG 60 HN ARG 60 14.419 7.698 6.623 462 HA ARG 60 HA ARG 60 13.585 10.323 7.334 463 HB2 ARG 60 2HB ARG 60 15.159 9.341 4.945 464 HB3 ARG 60 1HB ARG 60 14.991 11.025 5.424 465 HG2 ARG 60 2HG ARG 60 16.293 10.747 7.328 466 HG3 ARG 60 1HG ARG 60 16.102 8.992 7.318 467 HD2 ARG 60 2HD ARG 60 17.607 10.580 5.245 468 HD3 ARG 60 1HD ARG 60 18.351 9.734 6.602 469 HE ARG 60 HE ARG 60 16.701 8.012 5.017 470 HH11 ARG 60 1HH1 ARG 60 19.884 9.477 5.235 471 HH12 ARG 60 2HH1 ARG 60 20.648 8.243 4.279 472 HH21 ARG 60 1HH2 ARG 60 17.696 6.387 3.791 473 HH22 ARG 60 2HH2 ARG 60 19.402 6.486 3.438 474 H GLU 61 HN GLU 61 12.884 8.124 4.661 475 HA GLU 61 HA GLU 61 11.159 9.854 3.246 476 HB2 GLU 61 2HB GLU 61 11.205 6.835 3.368 477 HB3 GLU 61 1HB GLU 61 10.256 7.771 2.222 478 HG2 GLU 61 2HG GLU 61 13.252 7.624 2.427 479 HG3 GLU 61 1HG GLU 61 12.228 7.020 1.124 480 H GLN 62 HN GLN 62 10.598 7.536 5.856 481 HA GLN 62 HA GLN 62 7.805 7.709 5.959 482 HB2 GLN 62 2HB GLN 62 9.800 7.247 8.183 483 HB3 GLN 62 1HB GLN 62 8.062 7.053 8.362 484 HG2 GLN 62 2HG GLN 62 8.059 5.267 6.740 485 HG3 GLN 62 1HG GLN 62 9.782 5.501 6.440 486 HE21 GLN 62 1HE2 GLN 62 8.370 3.137 7.363 487 HE22 GLN 62 2HE2 GLN 62 9.067 2.721 8.890 488 H LEU 63 HN LEU 63 10.282 9.578 7.694 489 HA LEU 63 HA LEU 63 8.573 11.216 9.169 490 HB2 LEU 63 2HB LEU 63 11.003 11.011 9.536 491 HB3 LEU 63 1HB LEU 63 11.292 11.893 8.050 492 HG LEU 63 HG LEU 63 10.165 13.867 9.038 493 HD11 LEU 63 1HD1 LEU 63 9.751 13.912 11.450 494 HD12 LEU 63 2HD1 LEU 63 10.143 12.194 11.547 495 HD13 LEU 63 3HD1 LEU 63 8.730 12.728 10.635 496 HD21 LEU 63 3HD2 LEU 63 12.582 13.673 9.109 497 HD22 LEU 63 1HD2 LEU 63 12.483 12.755 10.612 498 HD23 LEU 63 2HD2 LEU 63 11.983 14.445 10.577 499 H THR 64 HN THR 64 9.882 11.626 5.908 500 HA THR 64 HA THR 64 8.791 14.184 5.421 501 HB THR 64 HB THR 64 9.315 12.037 3.353 502 HG1 THR 64 1HG THR 64 11.334 12.210 3.950 503 HG21 THR 64 3HG2 THR 64 9.381 15.056 3.199 504 HG22 THR 64 1HG2 THR 64 8.143 14.008 2.506 505 HG23 THR 64 2HG2 THR 64 9.794 13.952 1.887 506 H ALA 65 HN ALA 65 7.564 10.906 4.926 507 HA ALA 65 HA ALA 65 5.200 11.608 3.544 508 HB1 ALA 65 1HB ALA 65 6.148 9.341 3.542 509 HB2 ALA 65 2HB ALA 65 4.455 9.348 4.037 510 HB3 ALA 65 3HB ALA 65 5.727 9.173 5.246 511 H VAL 66 HN VAL 66 5.918 11.139 6.982 512 HA VAL 66 HA VAL 66 3.312 11.416 7.971 513 HB VAL 66 HB VAL 66 5.913 12.237 9.277 514 HG11 VAL 66 1HG1 VAL 66 3.196 11.806 10.515 515 HG12 VAL 66 2HG1 VAL 66 4.031 13.352 10.348 516 HG13 VAL 66 3HG1 VAL 66 4.692 12.099 11.398 517 HG21 VAL 66 3HG2 VAL 66 5.696 10.086 10.468 518 HG22 VAL 66 1HG2 VAL 66 5.869 9.880 8.724 519 HG23 VAL 66 2HG2 VAL 66 4.286 9.705 9.480 520 H LYS 67 HN LYS 67 5.766 13.861 7.211 521 HA LYS 67 HA LYS 67 4.317 16.083 8.166 522 HB2 LYS 67 2HB LYS 67 6.744 16.115 7.620 523 HB3 LYS 67 1HB LYS 67 6.333 16.031 5.915 524 HG2 LYS 67 2HG LYS 67 5.229 18.172 6.022 525 HG3 LYS 67 1HG LYS 67 5.474 18.245 7.767 526 HD2 LYS 67 2HD LYS 67 7.694 18.156 5.726 527 HD3 LYS 67 1HD LYS 67 7.082 19.630 6.477 528 HE2 LYS 67 2HE LYS 67 7.677 18.699 8.693 529 HE3 LYS 67 1HE LYS 67 8.374 17.296 7.884 530 HZ1 LYS 67 3HZ LYS 67 9.935 18.778 6.763 531 HZ2 LYS 67 1HZ LYS 67 10.076 18.899 8.452 532 HZ3 LYS 67 2HZ LYS 67 9.275 20.112 7.574 533 H ASP 68 HN ASP 68 4.530 14.595 4.966 534 HA ASP 68 HA ASP 68 2.833 16.355 3.570 535 HB2 ASP 68 2HB ASP 68 4.260 14.715 2.440 536 HB3 ASP 68 1HB ASP 68 3.336 13.399 3.147 537 H MET 69 HN MET 69 2.191 13.311 5.194 538 HA MET 69 HA MET 69 -0.541 13.076 4.685 539 HB2 MET 69 2HB MET 69 1.290 11.510 5.794 540 HB3 MET 69 1HB MET 69 0.604 12.155 7.276 541 HG2 MET 69 2HG MET 69 -1.546 11.278 6.743 542 HG3 MET 69 1HG MET 69 -0.997 10.786 5.137 543 HE1 MET 69 3HE MET 69 1.999 9.835 5.992 544 HE2 MET 69 1HE MET 69 1.011 8.992 4.797 545 HE3 MET 69 2HE MET 69 1.739 8.095 6.132 546 H ARG 70 HN ARG 70 1.138 14.508 7.470 547 HA ARG 70 HA ARG 70 -1.274 15.224 8.825 548 HB2 ARG 70 2HB ARG 70 1.050 14.803 9.835 549 HB3 ARG 70 1HB ARG 70 1.440 16.437 9.317 550 HG2 ARG 70 2HG ARG 70 -1.038 16.415 10.773 551 HG3 ARG 70 1HG ARG 70 0.238 15.638 11.709 552 HD2 ARG 70 2HD ARG 70 0.340 17.913 12.296 553 HD3 ARG 70 1HD ARG 70 1.666 17.671 11.161 554 HE ARG 70 HE ARG 70 -0.647 18.514 9.774 555 HH11 ARG 70 1HH1 ARG 70 1.849 19.719 11.933 556 HH12 ARG 70 2HH1 ARG 70 1.705 21.358 11.374 557 HH21 ARG 70 1HH2 ARG 70 -0.830 20.675 9.045 558 HH22 ARG 70 2HH2 ARG 70 0.176 21.908 9.746 559 H LYS 71 HN LYS 71 0.746 16.724 6.446 560 HA LYS 71 HA LYS 71 -0.076 19.407 6.753 561 HB2 LYS 71 2HB LYS 71 1.856 18.738 5.395 562 HB3 LYS 71 1HB LYS 71 0.792 17.916 4.270 563 HG2 LYS 71 2HG LYS 71 1.431 19.994 3.304 564 HG3 LYS 71 1HG LYS 71 -0.270 20.110 3.766 565 HD2 LYS 71 2HD LYS 71 0.392 21.288 5.820 566 HD3 LYS 71 1HD LYS 71 2.082 21.199 5.315 567 HE2 LYS 71 2HE LYS 71 1.496 22.475 3.279 568 HE3 LYS 71 1HE LYS 71 -0.155 22.630 3.881 569 HZ1 LYS 71 3HZ LYS 71 0.775 23.760 5.858 570 HZ2 LYS 71 1HZ LYS 71 1.057 24.605 4.410 571 HZ3 LYS 71 2HZ LYS 71 2.309 23.715 5.131 572 H ASN 72 HN ASN 72 -1.382 16.691 4.949 573 HA ASN 72 HA ASN 72 -3.505 18.323 3.835 574 HB2 ASN 72 2HB ASN 72 -2.802 15.404 3.550 575 HB3 ASN 72 1HB ASN 72 -4.234 16.120 2.818 576 HD21 ASN 72 1HD2 ASN 72 -0.779 15.875 2.727 577 HD22 ASN 72 2HD2 ASN 72 -0.560 16.680 1.209 578 H GLY 73 HN GLY 73 -2.996 16.298 6.558 579 HA2 GLY 73 2HA GLY 73 -4.425 16.285 8.430 580 HA3 GLY 73 1HA GLY 73 -5.740 16.831 7.400 581 H TRP 74 HN TRP 74 -3.667 14.129 6.633 582 HA TRP 74 HA TRP 74 -5.962 12.337 7.053 583 HB2 TRP 74 2HB TRP 74 -4.042 12.591 4.796 584 HB3 TRP 74 1HB TRP 74 -4.622 10.979 5.207 585 HD1 TRP 74 1HD TRP 74 -7.509 11.062 5.578 586 HE1 TRP 74 1HE TRP 74 -9.184 11.936 3.830 587 HE3 TRP 74 3HE TRP 74 -4.385 14.086 2.915 588 HZ2 TRP 74 2HZ TRP 74 -9.174 13.678 1.605 589 HZ3 TRP 74 3HZ TRP 74 -5.296 15.332 0.998 590 HH2 TRP 74 2HH TRP 74 -7.643 15.135 0.363 591 H VAL 75 HN VAL 75 -4.981 9.916 6.919 592 HA VAL 75 HA VAL 75 -2.795 9.816 8.880 593 HB VAL 75 HB VAL 75 -4.000 8.019 10.105 594 HG11 VAL 75 1HG1 VAL 75 -5.524 9.500 11.309 595 HG12 VAL 75 2HG1 VAL 75 -5.459 10.655 9.978 596 HG13 VAL 75 3HG1 VAL 75 -4.011 10.324 10.928 597 HG21 VAL 75 3HG2 VAL 75 -6.346 8.869 8.414 598 HG22 VAL 75 1HG2 VAL 75 -6.408 7.754 9.779 599 HG23 VAL 75 2HG2 VAL 75 -5.515 7.318 8.321 600 H MET 76 HN MET 76 -2.076 7.456 9.221 601 HA MET 76 HA MET 76 -1.388 6.493 6.572 602 HB2 MET 76 2HB MET 76 0.387 6.758 8.214 603 HB3 MET 76 1HB MET 76 -0.434 5.667 9.321 604 HG2 MET 76 2HG MET 76 -0.116 3.826 7.757 605 HG3 MET 76 1HG MET 76 0.683 4.918 6.628 606 HE1 MET 76 3HE MET 76 2.525 6.723 8.373 607 HE2 MET 76 1HE MET 76 3.060 5.888 6.917 608 HE3 MET 76 2HE MET 76 4.012 5.776 8.399 609 H LEU 77 HN LEU 77 -2.433 4.929 5.581 610 HA LEU 77 HA LEU 77 -4.401 3.336 7.002 611 HB2 LEU 77 2HB LEU 77 -3.646 3.174 4.090 612 HB3 LEU 77 1HB LEU 77 -5.135 2.629 4.841 613 HG LEU 77 HG LEU 77 -4.263 5.494 4.477 614 HD11 LEU 77 1HD1 LEU 77 -6.169 5.620 2.978 615 HD12 LEU 77 2HD1 LEU 77 -6.511 3.911 3.249 616 HD13 LEU 77 3HD1 LEU 77 -5.022 4.396 2.434 617 HD21 LEU 77 3HD2 LEU 77 -6.783 4.384 5.699 618 HD22 LEU 77 1HD2 LEU 77 -6.427 6.086 5.408 619 HD23 LEU 77 2HD2 LEU 77 -5.476 5.174 6.579 620 H GLY 78 HN GLY 78 -1.297 2.958 5.489 621 HA2 GLY 78 2HA GLY 78 -0.281 0.827 6.701 622 HA3 GLY 78 1HA GLY 78 -1.420 0.059 5.601 623 H ASN 79 HN ASN 79 0.043 -0.916 4.267 624 HA ASN 79 HA ASN 79 1.509 0.889 2.507 625 HB2 ASN 79 2HB ASN 79 3.500 -0.635 2.579 626 HB3 ASN 79 1HB ASN 79 3.226 0.278 4.054 627 HD21 ASN 79 1HD2 ASN 79 2.726 -0.798 5.930 628 HD22 ASN 79 2HD2 ASN 79 2.778 -2.517 6.077 629 H PHE 80 HN PHE 80 2.322 -0.247 0.574 630 HA PHE 80 HA PHE 80 0.652 -2.574 -0.082 631 HB2 PHE 80 2HB PHE 80 0.351 -1.778 -2.336 632 HB3 PHE 80 1HB PHE 80 -0.158 -0.513 -1.230 633 HD1 PHE 80 1HD PHE 80 1.323 1.479 -0.890 634 HD2 PHE 80 2HD PHE 80 2.074 -1.432 -3.900 635 HE1 PHE 80 1HE PHE 80 2.780 3.076 -2.067 636 HE2 PHE 80 2HE PHE 80 3.538 0.155 -5.079 637 HZ PHE 80 HZ PHE 80 3.889 2.415 -4.167 638 H HIS 81 HN HIS 81 1.617 -4.219 -1.110 639 HA HIS 81 HA HIS 81 4.510 -3.990 -1.662 640 HB2 HIS 81 2HB HIS 81 2.934 -6.234 -0.389 641 HB3 HIS 81 1HB HIS 81 4.527 -6.492 -1.086 642 HD1 HIS 81 1HD HIS 81 5.835 -6.973 0.981 643 HD2 HIS 81 2HD HIS 81 3.643 -3.460 1.282 644 HE1 HIS 81 1HE HIS 81 6.482 -5.965 3.192 645 HE2 HIS 81 2HE HIS 81 4.972 -3.963 3.444 646 H SER 82 HN SER 82 5.290 -5.435 -3.353 647 HA SER 82 HA SER 82 3.279 -6.824 -4.926 648 HB2 SER 82 2HB SER 82 5.090 -4.706 -6.121 649 HB3 SER 82 1HB SER 82 4.073 -5.810 -7.047 650 HG SER 82 HG SER 82 2.768 -4.417 -5.058 651 H HIS 83 HN HIS 83 4.079 -8.663 -5.820 652 HA HIS 83 HA HIS 83 6.907 -9.196 -5.255 653 HB2 HIS 83 2HB HIS 83 4.536 -11.006 -5.667 654 HB3 HIS 83 1HB HIS 83 6.183 -11.619 -5.729 655 HD1 HIS 83 1HD HIS 83 4.026 -12.429 -3.574 656 HD2 HIS 83 2HD HIS 83 7.109 -9.689 -3.036 657 HE1 HIS 83 1HE HIS 83 4.433 -12.347 -1.094 658 HE2 HIS 83 2HE HIS 83 6.440 -10.850 -0.814 659 HA PRO 84 HA PRO 84 7.858 -8.866 -9.486 660 HB2 PRO 84 2HB PRO 84 10.243 -10.127 -9.546 661 HB3 PRO 84 1HB PRO 84 10.007 -8.565 -8.758 662 HG2 PRO 84 2HG PRO 84 10.179 -11.292 -7.548 663 HG3 PRO 84 1HG PRO 84 10.854 -9.759 -6.966 664 HD2 PRO 84 2HD PRO 84 8.547 -10.886 -5.997 665 HD3 PRO 84 1HD PRO 84 8.900 -9.147 -5.951 666 H ALA 85 HN ALA 85 8.199 -12.153 -8.168 667 HA ALA 85 HA ALA 85 7.125 -13.239 -10.660 668 HB1 ALA 85 1HB ALA 85 9.770 -14.109 -9.496 669 HB2 ALA 85 2HB ALA 85 9.548 -13.195 -10.986 670 HB3 ALA 85 3HB ALA 85 8.953 -14.851 -10.871 671 H THR 86 HN THR 86 6.180 -12.972 -7.923 672 HA THR 86 HA THR 86 5.744 -15.804 -7.316 673 HB THR 86 HB THR 86 5.790 -14.946 -4.809 674 HG1 THR 86 1HG THR 86 7.798 -13.476 -4.822 675 HG21 THR 86 3HG2 THR 86 8.103 -15.726 -4.627 676 HG22 THR 86 1HG2 THR 86 8.300 -15.565 -6.372 677 HG23 THR 86 2HG2 THR 86 7.174 -16.754 -5.719 678 HA PRO 87 HA PRO 87 1.509 -14.737 -7.021 679 HB2 PRO 87 2HB PRO 87 1.211 -16.483 -4.666 680 HB3 PRO 87 1HB PRO 87 0.495 -16.631 -6.274 681 HG2 PRO 87 2HG PRO 87 2.434 -18.287 -5.462 682 HG3 PRO 87 1HG PRO 87 2.335 -17.725 -7.142 683 HD2 PRO 87 2HD PRO 87 4.118 -16.765 -4.929 684 HD3 PRO 87 1HD PRO 87 4.512 -17.084 -6.632 685 H ALA 88 HN ALA 88 -0.270 -14.097 -5.480 686 HA ALA 88 HA ALA 88 0.752 -12.069 -3.685 687 HB1 ALA 88 1HB ALA 88 -1.541 -11.286 -3.551 688 HB2 ALA 88 2HB ALA 88 -2.097 -12.704 -4.442 689 HB3 ALA 88 3HB ALA 88 -1.063 -11.513 -5.233 690 H ARG 89 HN ARG 89 1.636 -13.475 -2.126 691 HA ARG 89 HA ARG 89 -0.162 -13.934 0.058 692 HB2 ARG 89 2HB ARG 89 -0.480 -16.041 -1.144 693 HB3 ARG 89 1HB ARG 89 1.257 -16.276 -1.247 694 HG2 ARG 89 2HG ARG 89 1.389 -16.558 1.156 695 HG3 ARG 89 1HG ARG 89 -0.340 -16.234 1.306 696 HD2 ARG 89 2HD ARG 89 0.841 -18.512 -0.279 697 HD3 ARG 89 1HD ARG 89 0.251 -18.654 1.376 698 HE ARG 89 HE ARG 89 -1.968 -17.959 0.459 699 HH11 ARG 89 1HH1 ARG 89 0.423 -19.496 -1.592 700 HH12 ARG 89 2HH1 ARG 89 -0.743 -20.114 -2.721 701 HH21 ARG 89 1HH2 ARG 89 -3.515 -18.766 -1.022 702 HH22 ARG 89 2HH2 ARG 89 -2.990 -19.719 -2.384 703 HA PRO 90 HA PRO 90 3.731 -12.898 1.958 704 HB2 PRO 90 2HB PRO 90 2.649 -13.563 4.555 705 HB3 PRO 90 1HB PRO 90 2.948 -11.969 3.859 706 HG2 PRO 90 2HG PRO 90 0.449 -12.964 4.357 707 HG3 PRO 90 1HG PRO 90 0.800 -11.747 3.116 708 HD2 PRO 90 2HD PRO 90 0.384 -14.699 2.818 709 HD3 PRO 90 1HD PRO 90 -0.176 -13.368 1.779 710 H SER 91 HN SER 91 5.413 -14.237 1.826 711 HA SER 91 HA SER 91 5.294 -16.982 2.630 712 HB2 SER 91 2HB SER 91 7.715 -15.286 1.961 713 HB3 SER 91 1HB SER 91 7.641 -17.049 1.984 714 HG SER 91 HG SER 91 6.829 -15.271 0.043 715 H ALA 92 HN ALA 92 7.486 -17.585 4.034 716 HA ALA 92 HA ALA 92 6.749 -16.985 6.672 717 HB1 ALA 92 1HB ALA 92 9.386 -18.064 5.676 718 HB2 ALA 92 2HB ALA 92 7.947 -19.018 6.035 719 HB3 ALA 92 3HB ALA 92 8.777 -18.161 7.331 720 H GLU 93 HN GLU 93 9.471 -15.745 4.726 721 HA GLU 93 HA GLU 93 10.322 -14.038 6.865 722 HB2 GLU 93 2HB GLU 93 11.917 -13.091 5.262 723 HB3 GLU 93 1HB GLU 93 11.991 -14.842 5.343 724 HG2 GLU 93 2HG GLU 93 10.549 -14.875 3.278 725 HG3 GLU 93 1HG GLU 93 10.836 -13.135 3.164 726 H ASP 94 HN ASP 94 8.280 -13.616 4.027 727 HA ASP 94 HA ASP 94 7.958 -10.841 4.097 728 HB2 ASP 94 2HB ASP 94 5.925 -12.993 3.461 729 HB3 ASP 94 1HB ASP 94 5.632 -11.278 3.217 730 H LYS 95 HN LYS 95 6.431 -13.387 5.989 731 HA LYS 95 HA LYS 95 4.590 -11.727 7.361 732 HB2 LYS 95 2HB LYS 95 4.507 -14.255 7.093 733 HB3 LYS 95 1HB LYS 95 5.730 -14.344 8.348 734 HG2 LYS 95 2HG LYS 95 3.160 -12.901 8.845 735 HG3 LYS 95 1HG LYS 95 3.241 -14.658 8.963 736 HD2 LYS 95 2HD LYS 95 5.030 -14.457 10.623 737 HD3 LYS 95 1HD LYS 95 4.939 -12.700 10.506 738 HE2 LYS 95 2HE LYS 95 2.651 -12.741 11.331 739 HE3 LYS 95 1HE LYS 95 2.684 -14.502 11.384 740 HZ1 LYS 95 3HZ LYS 95 4.477 -14.360 13.026 741 HZ2 LYS 95 1HZ LYS 95 3.060 -13.602 13.573 742 HZ3 LYS 95 2HZ LYS 95 4.361 -12.664 13.016 743 H ARG 96 HN ARG 96 7.930 -12.626 7.922 744 HA ARG 96 HA ARG 96 8.175 -11.699 10.579 745 HB2 ARG 96 2HB ARG 96 10.215 -11.868 8.359 746 HB3 ARG 96 1HB ARG 96 10.610 -11.462 10.019 747 HG2 ARG 96 2HG ARG 96 9.875 -13.643 10.764 748 HG3 ARG 96 1HG ARG 96 9.376 -14.057 9.120 749 HD2 ARG 96 2HD ARG 96 11.656 -13.864 8.342 750 HD3 ARG 96 1HD ARG 96 12.185 -13.321 9.931 751 HE ARG 96 HE ARG 96 11.062 -15.774 10.384 752 HH11 ARG 96 1HH1 ARG 96 13.574 -14.553 8.280 753 HH12 ARG 96 2HH1 ARG 96 14.518 -16.014 8.337 754 HH21 ARG 96 1HH2 ARG 96 12.287 -17.697 10.480 755 HH22 ARG 96 2HH2 ARG 96 13.794 -17.810 9.607 756 H LEU 97 HN LEU 97 8.025 -10.079 7.523 757 HA LEU 97 HA LEU 97 9.192 -7.616 8.483 758 HB2 LEU 97 2HB LEU 97 7.844 -8.299 5.869 759 HB3 LEU 97 1HB LEU 97 8.672 -6.796 6.213 760 HG LEU 97 HG LEU 97 9.961 -9.527 6.113 761 HD11 LEU 97 1HD1 LEU 97 10.126 -7.188 4.216 762 HD12 LEU 97 2HD1 LEU 97 9.301 -8.717 3.912 763 HD13 LEU 97 3HD1 LEU 97 11.054 -8.684 4.096 764 HD21 LEU 97 3HD2 LEU 97 11.031 -8.031 7.736 765 HD22 LEU 97 1HD2 LEU 97 11.199 -6.800 6.487 766 HD23 LEU 97 2HD2 LEU 97 12.070 -8.328 6.341 767 H ALA 98 HN ALA 98 6.429 -8.918 9.291 768 HA ALA 98 HA ALA 98 4.609 -6.750 8.783 769 HB1 ALA 98 1HB ALA 98 4.394 -9.068 10.700 770 HB2 ALA 98 2HB ALA 98 3.744 -9.005 9.063 771 HB3 ALA 98 3HB ALA 98 3.097 -7.939 10.311 772 H PHE 99 HN PHE 99 5.802 -4.970 9.558 773 HA PHE 99 HA PHE 99 6.282 -4.846 12.443 774 HB2 PHE 99 2HB PHE 99 7.085 -2.962 10.218 775 HB3 PHE 99 1HB PHE 99 7.457 -2.714 11.921 776 HD1 PHE 99 2HD PHE 99 8.805 -4.575 13.094 777 HD2 PHE 99 1HD PHE 99 8.557 -4.135 8.866 778 HE1 PHE 99 2HE PHE 99 10.864 -5.901 12.837 779 HE2 PHE 99 1HE PHE 99 10.614 -5.455 8.602 780 HZ PHE 99 HZ PHE 99 11.771 -6.342 10.589 781 H ASP 100 HN ASP 100 3.934 -4.075 10.208 782 HA ASP 100 HA ASP 100 2.947 -1.654 11.370 783 HB2 ASP 100 2HB ASP 100 1.520 -3.673 9.620 784 HB3 ASP 100 1HB ASP 100 0.978 -2.033 9.960 785 HA PRO 101 HA PRO 101 0.973 -3.336 14.907 786 HB2 PRO 101 2HB PRO 101 -1.171 -1.341 14.606 787 HB3 PRO 101 1HB PRO 101 0.017 -1.521 15.898 788 HG2 PRO 101 2HG PRO 101 0.148 0.502 14.137 789 HG3 PRO 101 1HG PRO 101 1.607 -0.263 14.797 790 HD2 PRO 101 2HD PRO 101 0.302 -0.655 12.127 791 HD3 PRO 101 1HD PRO 101 2.028 -0.524 12.530 792 H SER 102 HN SER 102 -1.563 -2.217 12.653 793 HA SER 102 HA SER 102 -2.571 -4.902 12.315 794 HB2 SER 102 2HB SER 102 -4.281 -2.775 13.642 795 HB3 SER 102 1HB SER 102 -4.842 -4.359 13.120 796 HG SER 102 HG SER 102 -2.721 -4.747 14.649 797 H LEU 103 HN LEU 103 -1.434 -2.807 10.674 798 HA LEU 103 HA LEU 103 -3.582 -1.508 9.269 799 HB2 LEU 103 2HB LEU 103 -0.636 -1.685 8.625 800 HB3 LEU 103 1HB LEU 103 -1.792 -0.637 7.821 801 HG LEU 103 HG LEU 103 -1.018 -0.469 10.739 802 HD11 LEU 103 1HD1 LEU 103 0.123 1.580 10.123 803 HD12 LEU 103 2HD1 LEU 103 -0.313 1.336 8.432 804 HD13 LEU 103 3HD1 LEU 103 0.787 0.211 9.229 805 HD21 LEU 103 3HD2 LEU 103 -2.770 1.314 9.049 806 HD22 LEU 103 1HD2 LEU 103 -2.279 1.631 10.713 807 HD23 LEU 103 2HD2 LEU 103 -3.313 0.251 10.346 808 H SER 104 HN SER 104 -3.586 -1.671 6.801 809 HA SER 104 HA SER 104 -3.984 -4.468 6.175 810 HB2 SER 104 2HB SER 104 -4.563 -1.995 4.530 811 HB3 SER 104 1HB SER 104 -5.088 -3.636 4.148 812 HG SER 104 HG SER 104 -6.545 -3.565 5.724 813 H TYR 105 HN TYR 105 -2.523 -5.678 5.192 814 HA TYR 105 HA TYR 105 -0.277 -4.421 3.818 815 HB2 TYR 105 2HB TYR 105 -0.785 -7.345 4.432 816 HB3 TYR 105 1HB TYR 105 0.697 -6.677 3.765 817 HD1 TYR 105 1HD TYR 105 -1.456 -6.700 6.784 818 HD2 TYR 105 2HD TYR 105 2.392 -5.868 5.180 819 HE1 TYR 105 1HE TYR 105 -0.568 -6.447 9.060 820 HE2 TYR 105 2HE TYR 105 3.289 -5.615 7.454 821 HH TYR 105 HH TYR 105 1.514 -6.537 10.239 822 H LEU 106 HN LEU 106 -1.115 -3.746 1.840 823 HA LEU 106 HA LEU 106 -2.692 -5.527 0.221 824 HB2 LEU 106 2HB LEU 106 -1.351 -2.888 -0.358 825 HB3 LEU 106 1HB LEU 106 -2.195 -3.801 -1.592 826 HG LEU 106 HG LEU 106 -4.243 -3.672 -0.071 827 HD11 LEU 106 1HD1 LEU 106 -3.098 -3.002 1.977 828 HD12 LEU 106 2HD1 LEU 106 -4.303 -1.807 1.496 829 HD13 LEU 106 3HD1 LEU 106 -2.590 -1.499 1.208 830 HD21 LEU 106 3HD2 LEU 106 -4.791 -1.409 -0.866 831 HD22 LEU 106 1HD2 LEU 106 -4.058 -2.407 -2.121 832 HD23 LEU 106 2HD2 LEU 106 -3.101 -1.169 -1.306 833 H ILE 107 HN ILE 107 -1.977 -7.022 -1.169 834 HA ILE 107 HA ILE 107 0.872 -6.929 -1.912 835 HB ILE 107 HB ILE 107 -0.689 -9.417 -1.177 836 HG12 ILE 107 2HG1 ILE 107 1.673 -8.090 0.180 837 HG13 ILE 107 1HG1 ILE 107 0.012 -8.062 0.766 838 HG21 ILE 107 1HG2 ILE 107 1.406 -10.622 -1.540 839 HG22 ILE 107 2HG2 ILE 107 2.179 -9.130 -2.073 840 HG23 ILE 107 3HG2 ILE 107 0.865 -9.828 -3.019 841 HD11 ILE 107 3HD1 ILE 107 0.083 -10.489 1.047 842 HD12 ILE 107 1HD1 ILE 107 1.340 -9.679 1.981 843 HD13 ILE 107 2HD1 ILE 107 1.752 -10.502 0.475 844 H ILE 108 HN ILE 108 1.036 -6.651 -4.003 845 HA ILE 108 HA ILE 108 -1.012 -7.807 -5.773 846 HB ILE 108 HB ILE 108 1.013 -5.650 -6.414 847 HG12 ILE 108 2HG1 ILE 108 -1.948 -5.384 -5.844 848 HG13 ILE 108 1HG1 ILE 108 -0.660 -4.910 -4.742 849 HG21 ILE 108 1HG2 ILE 108 -1.380 -6.652 -7.956 850 HG22 ILE 108 2HG2 ILE 108 0.315 -6.917 -8.370 851 HG23 ILE 108 3HG2 ILE 108 -0.360 -5.288 -8.419 852 HD11 ILE 108 3HD1 ILE 108 -1.188 -3.723 -7.455 853 HD12 ILE 108 1HD1 ILE 108 0.111 -3.251 -6.359 854 HD13 ILE 108 2HD1 ILE 108 -1.572 -2.989 -5.899 855 H SER 109 HN SER 109 -0.438 -9.322 -7.253 856 HA SER 109 HA SER 109 2.361 -10.181 -7.289 857 HB2 SER 109 2HB SER 109 0.561 -11.884 -6.950 858 HB3 SER 109 1HB SER 109 -0.044 -11.512 -8.564 859 HG SER 109 HG SER 109 2.498 -12.593 -7.876 860 H LEU 110 HN LEU 110 3.617 -9.228 -8.740 861 HA LEU 110 HA LEU 110 2.410 -8.210 -11.213 862 HB2 LEU 110 2HB LEU 110 4.186 -7.078 -9.376 863 HB3 LEU 110 1HB LEU 110 5.176 -7.461 -10.771 864 HG LEU 110 HG LEU 110 4.351 -5.167 -10.882 865 HD11 LEU 110 1HD1 LEU 110 3.362 -5.217 -13.109 866 HD12 LEU 110 2HD1 LEU 110 3.037 -6.941 -12.935 867 HD13 LEU 110 3HD1 LEU 110 4.701 -6.358 -12.981 868 HD21 LEU 110 3HD2 LEU 110 2.316 -5.398 -9.594 869 HD22 LEU 110 1HD2 LEU 110 1.608 -6.421 -10.846 870 HD23 LEU 110 2HD2 LEU 110 1.950 -4.724 -11.184 871 H ALA 111 HN ALA 111 3.010 -11.002 -10.833 872 HA ALA 111 HA ALA 111 5.383 -11.849 -12.040 873 HB1 ALA 111 1HB ALA 111 4.219 -13.941 -12.500 874 HB2 ALA 111 2HB ALA 111 2.669 -13.167 -12.178 875 HB3 ALA 111 3HB ALA 111 3.843 -13.364 -10.876 876 H GLU 112 HN GLU 112 2.249 -11.011 -13.449 877 HA GLU 112 HA GLU 112 3.550 -10.312 -15.962 878 HB2 GLU 112 2HB GLU 112 2.783 -12.710 -16.132 879 HB3 GLU 112 1HB GLU 112 1.144 -12.155 -15.846 880 HG2 GLU 112 2HG GLU 112 1.353 -12.504 -18.162 881 HG3 GLU 112 1HG GLU 112 1.373 -10.760 -17.924 882 HA PRO 113 HA PRO 113 0.598 -7.022 -15.379 883 HB2 PRO 113 2HB PRO 113 1.027 -6.223 -18.150 884 HB3 PRO 113 1HB PRO 113 1.517 -5.402 -16.668 885 HG2 PRO 113 2HG PRO 113 3.291 -6.566 -18.353 886 HG3 PRO 113 1HG PRO 113 3.558 -6.455 -16.603 887 HD2 PRO 113 2HD PRO 113 2.586 -8.777 -18.231 888 HD3 PRO 113 1HD PRO 113 3.752 -8.755 -16.889 889 H GLN 114 HN GLN 114 0.182 -9.541 -17.538 890 HA GLN 114 HA GLN 114 -2.166 -8.767 -18.883 891 HB2 GLN 114 2HB GLN 114 -1.129 -11.483 -18.072 892 HB3 GLN 114 1HB GLN 114 -2.592 -11.264 -19.022 893 HG2 GLN 114 2HG GLN 114 0.172 -10.375 -19.812 894 HG3 GLN 114 1HG GLN 114 -0.675 -11.794 -20.425 895 HE21 GLN 114 1HE2 GLN 114 -2.430 -11.514 -21.821 896 HE22 GLN 114 2HE2 GLN 114 -2.713 -10.021 -22.652 897 H LYS 115 HN LYS 115 -1.603 -10.353 -15.782 898 HA LYS 115 HA LYS 115 -4.162 -9.407 -14.827 899 HB2 LYS 115 2HB LYS 115 -3.477 -12.336 -15.013 900 HB3 LYS 115 1HB LYS 115 -4.636 -11.722 -13.851 901 HG2 LYS 115 2HG LYS 115 -4.839 -11.443 -16.840 902 HG3 LYS 115 1HG LYS 115 -5.721 -12.607 -15.850 903 HD2 LYS 115 2HD LYS 115 -6.902 -10.843 -14.727 904 HD3 LYS 115 1HD LYS 115 -5.907 -9.615 -15.513 905 HE2 LYS 115 2HE LYS 115 -7.759 -11.520 -16.943 906 HE3 LYS 115 1HE LYS 115 -8.149 -9.849 -16.533 907 HZ1 LYS 115 3HZ LYS 115 -5.903 -10.697 -18.289 908 HZ2 LYS 115 1HZ LYS 115 -6.349 -9.098 -17.938 909 HZ3 LYS 115 2HZ LYS 115 -7.391 -10.093 -18.830 910 HA PRO 116 HA PRO 116 -0.948 -9.280 -11.550 911 HB2 PRO 116 2HB PRO 116 -1.772 -6.549 -11.111 912 HB3 PRO 116 1HB PRO 116 -0.201 -7.146 -11.646 913 HG2 PRO 116 2HG PRO 116 -1.901 -5.691 -13.226 914 HG3 PRO 116 1HG PRO 116 -0.696 -6.830 -13.856 915 HD2 PRO 116 2HD PRO 116 -3.638 -7.208 -13.451 916 HD3 PRO 116 1HD PRO 116 -2.607 -7.750 -14.794 917 H VAL 117 HN VAL 117 -1.953 -10.449 -10.005 918 HA VAL 117 HA VAL 117 -4.630 -9.880 -9.153 919 HB VAL 117 HB VAL 117 -2.605 -11.758 -7.915 920 HG11 VAL 117 1HG1 VAL 117 -5.604 -11.621 -7.625 921 HG12 VAL 117 2HG1 VAL 117 -4.415 -11.230 -6.382 922 HG13 VAL 117 3HG1 VAL 117 -4.570 -12.888 -6.965 923 HG21 VAL 117 3HG2 VAL 117 -3.763 -13.519 -9.177 924 HG22 VAL 117 1HG2 VAL 117 -3.007 -12.331 -10.240 925 HG23 VAL 117 2HG2 VAL 117 -4.748 -12.288 -9.966 926 H CYS 118 HN CYS 118 -5.216 -8.459 -7.668 927 HA CYS 118 HA CYS 118 -3.205 -7.555 -5.728 928 HB2 CYS 118 2HB CYS 118 -4.564 -5.438 -5.631 929 HB3 CYS 118 1HB CYS 118 -3.757 -5.729 -7.165 930 HG CYS 118 HG CYS 118 -5.990 -6.378 -8.588 931 H LYS 119 HN LYS 119 -3.574 -8.111 -3.693 932 HA LYS 119 HA LYS 119 -6.355 -8.236 -2.750 933 HB2 LYS 119 2HB LYS 119 -4.217 -10.267 -2.079 934 HB3 LYS 119 1HB LYS 119 -5.825 -10.211 -1.380 935 HG2 LYS 119 2HG LYS 119 -6.824 -10.732 -3.512 936 HG3 LYS 119 1HG LYS 119 -5.249 -10.657 -4.303 937 HD2 LYS 119 2HD LYS 119 -5.800 -12.960 -3.950 938 HD3 LYS 119 1HD LYS 119 -4.494 -12.526 -2.848 939 HE2 LYS 119 2HE LYS 119 -6.010 -13.824 -1.586 940 HE3 LYS 119 1HE LYS 119 -6.261 -12.152 -1.088 941 HZ1 LYS 119 3HZ LYS 119 -8.228 -12.029 -2.426 942 HZ2 LYS 119 1HZ LYS 119 -8.344 -13.410 -1.444 943 HZ3 LYS 119 2HZ LYS 119 -7.946 -13.564 -3.085 944 H SER 120 HN SER 120 -6.466 -8.128 -0.358 945 HA SER 120 HA SER 120 -4.171 -6.671 0.771 946 HB2 SER 120 2HB SER 120 -7.108 -6.279 1.412 947 HB3 SER 120 1HB SER 120 -5.764 -5.401 2.147 948 HG SER 120 HG SER 120 -5.869 -5.389 -0.619 949 H PHE 121 HN PHE 121 -3.235 -7.707 2.398 950 HA PHE 121 HA PHE 121 -4.775 -9.845 3.698 951 HB2 PHE 121 2HB PHE 121 -1.814 -9.532 3.248 952 HB3 PHE 121 1HB PHE 121 -2.490 -10.735 4.337 953 HD1 PHE 121 1HD PHE 121 -2.058 -9.746 0.844 954 HD2 PHE 121 2HD PHE 121 -3.706 -12.639 3.493 955 HE1 PHE 121 1HE PHE 121 -2.384 -11.283 -1.045 956 HE2 PHE 121 2HE PHE 121 -4.029 -14.187 1.606 957 HZ PHE 121 HZ PHE 121 -3.371 -13.506 -0.669 958 H LEU 122 HN LEU 122 -5.205 -9.750 5.746 959 HA LEU 122 HA LEU 122 -3.937 -7.682 7.399 960 HB2 LEU 122 2HB LEU 122 -6.467 -9.292 7.774 961 HB3 LEU 122 1HB LEU 122 -5.824 -8.196 8.978 962 HG LEU 122 HG LEU 122 -6.773 -7.410 6.219 963 HD11 LEU 122 1HD1 LEU 122 -8.003 -6.986 8.939 964 HD12 LEU 122 2HD1 LEU 122 -8.602 -8.072 7.685 965 HD13 LEU 122 3HD1 LEU 122 -8.611 -6.327 7.422 966 HD21 LEU 122 3HD2 LEU 122 -6.517 -5.111 7.050 967 HD22 LEU 122 1HD2 LEU 122 -4.974 -5.968 6.991 968 HD23 LEU 122 2HD2 LEU 122 -5.798 -5.735 8.533 969 H ILE 123 HN ILE 123 -2.182 -8.469 8.388 970 HA ILE 123 HA ILE 123 -2.015 -11.293 9.013 971 HB ILE 123 HB ILE 123 0.024 -9.104 9.457 972 HG12 ILE 123 2HG1 ILE 123 -0.163 -11.200 7.278 973 HG13 ILE 123 1HG1 ILE 123 -0.513 -9.487 7.073 974 HG21 ILE 123 1HG2 ILE 123 0.278 -12.107 9.628 975 HG22 ILE 123 2HG2 ILE 123 0.394 -10.965 10.967 976 HG23 ILE 123 3HG2 ILE 123 1.625 -10.970 9.703 977 HD11 ILE 123 3HD1 ILE 123 1.694 -10.088 6.224 978 HD12 ILE 123 1HD1 ILE 123 2.160 -10.644 7.833 979 HD13 ILE 123 2HD1 ILE 123 1.799 -8.940 7.558 980 H LYS 124 HN LYS 124 -3.039 -11.928 10.791 981 HA LYS 124 HA LYS 124 -2.864 -10.253 13.191 982 HB2 LYS 124 2HB LYS 124 -4.699 -12.532 12.456 983 HB3 LYS 124 1HB LYS 124 -4.561 -11.943 14.104 984 HG2 LYS 124 2HG LYS 124 -6.419 -10.837 13.307 985 HG3 LYS 124 1HG LYS 124 -5.141 -9.642 13.093 986 HD2 LYS 124 2HD LYS 124 -4.943 -10.287 10.739 987 HD3 LYS 124 1HD LYS 124 -6.233 -11.472 10.958 988 HE2 LYS 124 2HE LYS 124 -6.482 -8.491 11.323 989 HE3 LYS 124 1HE LYS 124 -7.069 -9.411 9.942 990 HZ1 LYS 124 3HZ LYS 124 -8.001 -9.749 12.746 991 HZ2 LYS 124 1HZ LYS 124 -8.594 -10.577 11.388 992 HZ3 LYS 124 2HZ LYS 124 -8.830 -8.905 11.533 993 H LYS 125 HN LYS 125 -2.667 -11.493 15.233 994 HA LYS 125 HA LYS 125 -0.309 -12.830 15.577 995 HB2 LYS 125 2HB LYS 125 -1.650 -11.927 17.386 996 HB3 LYS 125 1HB LYS 125 -2.905 -13.106 17.090 997 HG2 LYS 125 2HG LYS 125 -1.386 -14.896 17.765 998 HG3 LYS 125 1HG LYS 125 -0.129 -13.698 18.083 999 HD2 LYS 125 2HD LYS 125 -1.364 -12.731 19.853 1000 HD3 LYS 125 1HD LYS 125 -2.831 -13.600 19.398 1001 HE2 LYS 125 2HE LYS 125 -0.300 -14.879 20.421 1002 HE3 LYS 125 1HE LYS 125 -1.738 -14.552 21.388 1003 HZ1 LYS 125 3HZ LYS 125 -1.449 -16.460 19.140 1004 HZ2 LYS 125 1HZ LYS 125 -2.964 -15.967 19.724 1005 HZ3 LYS 125 2HZ LYS 125 -1.887 -16.783 20.746 1006 H ASP 126 HN ASP 126 -3.499 -14.312 15.383 1007 HA ASP 126 HA ASP 126 -2.263 -16.955 15.214 1008 HB2 ASP 126 2HB ASP 126 -5.125 -16.114 15.697 1009 HB3 ASP 126 1HB ASP 126 -4.574 -17.784 15.645 1010 H GLY 127 HN GLY 127 -2.351 -15.116 12.849 1011 HA2 GLY 127 2HA GLY 127 -2.240 -16.647 10.776 1012 HA3 GLY 127 1HA GLY 127 -3.961 -16.825 11.063 1013 H VAL 128 HN VAL 128 -2.905 -15.900 8.657 1014 HA VAL 128 HA VAL 128 -3.435 -13.020 8.694 1015 HB VAL 128 HB VAL 128 -1.418 -13.746 7.509 1016 HG11 VAL 128 1HG1 VAL 128 -2.120 -15.950 6.774 1017 HG12 VAL 128 2HG1 VAL 128 -1.573 -14.982 5.404 1018 HG13 VAL 128 3HG1 VAL 128 -3.297 -15.224 5.677 1019 HG21 VAL 128 3HG2 VAL 128 -1.810 -12.561 5.394 1020 HG22 VAL 128 1HG2 VAL 128 -2.523 -11.714 6.767 1021 HG23 VAL 128 2HG2 VAL 128 -3.549 -12.649 5.679 1022 H ASP 129 HN ASP 129 -5.212 -12.128 7.848 1023 HA ASP 129 HA ASP 129 -7.196 -13.928 6.602 1024 HB2 ASP 129 2HB ASP 129 -7.759 -13.049 8.899 1025 HB3 ASP 129 1HB ASP 129 -7.751 -11.430 8.217 1026 H GLU 130 HN GLU 130 -8.134 -13.242 4.680 1027 HA GLU 130 HA GLU 130 -6.768 -10.987 3.463 1028 HB2 GLU 130 2HB GLU 130 -7.694 -11.913 1.344 1029 HB3 GLU 130 1HB GLU 130 -6.597 -12.983 2.191 1030 HG2 GLU 130 2HG GLU 130 -8.495 -14.256 3.041 1031 HG3 GLU 130 1HG GLU 130 -9.601 -13.161 2.214 1032 H GLU 131 HN GLU 131 -7.689 -9.169 2.891 1033 HA GLU 131 HA GLU 131 -10.538 -8.797 3.473 1034 HB2 GLU 131 2HB GLU 131 -8.393 -7.358 4.303 1035 HB3 GLU 131 1HB GLU 131 -8.809 -6.472 2.842 1036 HG2 GLU 131 2HG GLU 131 -11.140 -6.298 3.725 1037 HG3 GLU 131 1HG GLU 131 -10.544 -6.977 5.240 1038 H GLU 132 HN GLU 132 -11.662 -7.172 1.971 1039 HA GLU 132 HA GLU 132 -11.070 -7.998 -0.765 1040 HB2 GLU 132 2HB GLU 132 -13.375 -7.385 -1.253 1041 HB3 GLU 132 1HB GLU 132 -13.296 -8.548 0.048 1042 HG2 GLU 132 2HG GLU 132 -13.591 -5.597 0.517 1043 HG3 GLU 132 1HG GLU 132 -14.966 -6.669 0.279 1044 H ILE 133 HN ILE 133 -10.980 -6.544 -2.463 1045 HA ILE 133 HA ILE 133 -10.518 -3.737 -1.695 1046 HB ILE 133 HB ILE 133 -9.420 -5.190 -4.112 1047 HG12 ILE 133 2HG1 ILE 133 -8.019 -4.379 -1.551 1048 HG13 ILE 133 1HG1 ILE 133 -8.422 -6.027 -2.020 1049 HG21 ILE 133 1HG2 ILE 133 -8.886 -2.430 -3.012 1050 HG22 ILE 133 2HG2 ILE 133 -9.694 -2.830 -4.528 1051 HG23 ILE 133 3HG2 ILE 133 -7.979 -3.187 -4.325 1052 HD11 ILE 133 3HD1 ILE 133 -6.944 -5.814 -3.969 1053 HD12 ILE 133 1HD1 ILE 133 -6.091 -5.583 -2.440 1054 HD13 ILE 133 2HD1 ILE 133 -6.510 -4.190 -3.435 1055 H ILE 134 HN ILE 134 -11.924 -2.300 -2.433 1056 HA ILE 134 HA ILE 134 -13.485 -2.993 -4.831 1057 HB ILE 134 HB ILE 134 -14.280 -1.635 -2.306 1058 HG12 ILE 134 2HG1 ILE 134 -16.421 -2.788 -2.797 1059 HG13 ILE 134 1HG1 ILE 134 -15.745 -3.364 -4.315 1060 HG21 ILE 134 1HG2 ILE 134 -15.489 -0.895 -4.967 1061 HG22 ILE 134 2HG2 ILE 134 -14.582 0.174 -3.897 1062 HG23 ILE 134 3HG2 ILE 134 -16.143 -0.464 -3.386 1063 HD11 ILE 134 3HD1 ILE 134 -14.808 -4.082 -1.549 1064 HD12 ILE 134 1HD1 ILE 134 -14.050 -4.618 -3.047 1065 HD13 ILE 134 2HD1 ILE 134 -15.699 -5.113 -2.668 1066 H LEU 135 HN LEU 135 -13.403 -1.663 -6.538 1067 HA LEU 135 HA LEU 135 -11.471 0.520 -6.391 1068 HB2 LEU 135 2HB LEU 135 -12.698 -0.844 -8.788 1069 HB3 LEU 135 1HB LEU 135 -11.428 0.362 -8.839 1070 HG LEU 135 HG LEU 135 -11.186 -2.389 -7.622 1071 HD11 LEU 135 1HD1 LEU 135 -11.317 -2.456 -10.050 1072 HD12 LEU 135 2HD1 LEU 135 -9.682 -2.829 -9.503 1073 HD13 LEU 135 3HD1 LEU 135 -10.049 -1.236 -10.165 1074 HD21 LEU 135 3HD2 LEU 135 -9.804 -0.736 -6.471 1075 HD22 LEU 135 1HD2 LEU 135 -9.120 -0.228 -8.014 1076 HD23 LEU 135 2HD2 LEU 135 -8.814 -1.857 -7.409 1077 H LYS 136 HN LYS 136 -11.904 2.566 -7.199 1078 HA LYS 136 HA LYS 136 -14.668 3.133 -8.018 1079 HB2 LYS 136 2HB LYS 136 -12.959 4.641 -6.052 1080 HB3 LYS 136 1HB LYS 136 -14.237 5.454 -6.945 1081 HG2 LYS 136 2HG LYS 136 -14.612 3.073 -5.134 1082 HG3 LYS 136 1HG LYS 136 -14.977 4.750 -4.721 1083 HD2 LYS 136 2HD LYS 136 -16.564 4.801 -6.650 1084 HD3 LYS 136 1HD LYS 136 -16.282 3.074 -6.865 1085 HE2 LYS 136 2HE LYS 136 -17.344 4.343 -4.343 1086 HE3 LYS 136 1HE LYS 136 -18.344 3.602 -5.589 1087 HZ1 LYS 136 3HZ LYS 136 -16.284 2.219 -3.956 1088 HZ2 LYS 136 1HZ LYS 136 -17.212 1.495 -5.177 1089 HZ3 LYS 136 2HZ LYS 136 -17.960 2.077 -3.774 1090 H GLU 137 HN GLU 137 -14.860 5.025 -9.431 1091 HA GLU 137 HA GLU 137 -12.800 4.906 -11.435 1092 HB2 GLU 137 2HB GLU 137 -14.816 7.035 -11.649 1093 HB3 GLU 137 1HB GLU 137 -14.332 5.831 -12.804 1094 HG2 GLU 137 2HG GLU 137 -16.500 5.218 -12.442 1095 HG3 GLU 137 1HG GLU 137 -15.673 4.212 -11.252 1096 H GLU 138 HN GLU 138 -13.775 6.992 -8.979 1097 HA GLU 138 HA GLU 138 -11.519 8.787 -9.346 1098 HB2 GLU 138 2HB GLU 138 -13.424 9.605 -10.779 1099 HB3 GLU 138 1HB GLU 138 -14.365 9.807 -9.314 1100 HG2 GLU 138 2HG GLU 138 -12.788 11.475 -8.518 1101 HG3 GLU 138 1HG GLU 138 -11.812 11.253 -9.971 1102 H LEU 139 HN LEU 139 -11.647 10.528 -7.513 1103 HA LEU 139 HA LEU 139 -11.834 9.138 -5.034 1104 HB2 LEU 139 2HB LEU 139 -11.362 12.051 -5.663 1105 HB3 LEU 139 1HB LEU 139 -11.241 11.361 -4.058 1106 HG LEU 139 HG LEU 139 -9.507 10.622 -6.416 1107 HD11 LEU 139 1HD1 LEU 139 -7.729 11.722 -5.141 1108 HD12 LEU 139 2HD1 LEU 139 -8.910 12.216 -3.927 1109 HD13 LEU 139 3HD1 LEU 139 -9.015 12.847 -5.572 1110 HD21 LEU 139 3HD2 LEU 139 -9.407 9.732 -3.535 1111 HD22 LEU 139 1HD2 LEU 139 -8.207 9.353 -4.770 1112 HD23 LEU 139 2HD2 LEU 139 -9.851 8.733 -4.919 1113 H GLU 140 HN GLU 140 -12.810 11.052 -3.273 1114 HA GLU 140 HA GLU 140 -14.700 11.749 -2.230 1115 HB2 GLU 140 2HB GLU 140 -15.902 11.765 -5.009 1116 HB3 GLU 140 1HB GLU 140 -16.673 12.415 -3.571 1117 HG2 GLU 140 2HG GLU 140 -14.841 14.045 -3.357 1118 HG3 GLU 140 1HG GLU 140 -14.144 13.420 -4.856 1119 H HIS 141 HN HIS 141 -17.313 11.104 -2.381 1120 HA HIS 141 HA HIS 141 -17.282 8.197 -2.117 1121 HB2 HIS 141 2HB HIS 141 -18.487 10.152 -0.606 1122 HB3 HIS 141 1HB HIS 141 -19.818 9.596 -1.615 1123 HD1 HIS 141 1HD HIS 141 -21.057 7.639 -0.716 1124 HD2 HIS 141 2HD HIS 141 -17.168 7.855 0.753 1125 HE1 HIS 141 1HE HIS 141 -20.854 5.773 0.963 1126 HE2 HIS 141 2HE HIS 141 -18.585 6.105 2.018 1127 H HIS 142 HN HIS 142 -16.908 8.298 -4.523 1128 HA HIS 142 HA HIS 142 -18.822 9.255 -6.318 1129 HB2 HIS 142 2HB HIS 142 -16.361 7.781 -6.444 1130 HB3 HIS 142 1HB HIS 142 -17.534 7.079 -7.554 1131 HD1 HIS 142 1HD HIS 142 -17.229 8.009 -9.803 1132 HD2 HIS 142 2HD HIS 142 -16.524 10.859 -6.855 1133 HE1 HIS 142 1HE HIS 142 -16.708 10.146 -11.029 1134 HE2 HIS 142 2HE HIS 142 -16.023 11.770 -9.229 1135 H HIS 143 HN HIS 143 -20.562 8.439 -7.272 1136 HA HIS 143 HA HIS 143 -21.325 5.656 -6.790 1137 HB2 HIS 143 2HB HIS 143 -23.690 6.455 -6.266 1138 HB3 HIS 143 1HB HIS 143 -22.495 6.681 -4.998 1139 HD1 HIS 143 1HD HIS 143 -24.843 8.520 -7.191 1140 HD2 HIS 143 2HD HIS 143 -21.732 9.409 -4.573 1141 HE1 HIS 143 1HE HIS 143 -25.029 10.985 -6.724 1142 HE2 HIS 143 2HE HIS 143 -23.158 11.503 -5.120 1143 H HIS 144 HN HIS 144 -21.576 4.846 -8.762 1144 HA HIS 144 HA HIS 144 -23.175 6.281 -10.734 1145 HB2 HIS 144 2HB HIS 144 -20.270 5.602 -11.097 1146 HB3 HIS 144 1HB HIS 144 -21.351 5.689 -12.480 1147 HD1 HIS 144 1HD HIS 144 -18.906 7.635 -11.111 1148 HD2 HIS 144 2HD HIS 144 -22.885 8.421 -12.038 1149 HE1 HIS 144 1HE HIS 144 -19.068 10.138 -11.387 1150 HE2 HIS 144 2HE HIS 144 -21.416 10.541 -12.209 1151 H HIS 145 HN HIS 145 -24.253 5.026 -12.093 1152 HA HIS 145 HA HIS 145 -25.097 3.239 -13.177 1153 HB2 HIS 145 2HB HIS 145 -22.857 3.652 -14.271 1154 HB3 HIS 145 1HB HIS 145 -22.242 2.293 -13.337 1155 HD1 HIS 145 1HD HIS 145 -24.253 3.149 -16.327 1156 HD2 HIS 145 2HD HIS 145 -23.300 -0.249 -14.115 1157 HE1 HIS 145 1HE HIS 145 -24.919 1.193 -17.759 1158 HE2 HIS 145 2HE HIS 145 -24.231 -0.855 -16.457 1159 H HIS 146 HN HIS 146 -26.320 2.171 -11.670 1160 HA HIS 146 HA HIS 146 -25.093 -0.354 -10.762 1161 HB2 HIS 146 2HB HIS 146 -27.259 1.244 -9.374 1162 HB3 HIS 146 1HB HIS 146 -26.785 -0.386 -8.916 1163 HD1 HIS 146 1HD HIS 146 -24.500 -0.651 -7.672 1164 HD2 HIS 146 2HD HIS 146 -25.549 3.272 -8.560 1165 HE1 HIS 146 1HE HIS 146 -22.965 0.785 -6.303 1166 HE2 HIS 146 2HE HIS 146 -23.828 3.129 -6.641 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -13.488 -2.438 5.035 2 H2 MET 1 H2 MET 1 -12.363 -3.710 5.119 3 H3 MET 1 H3 MET 1 -13.970 -4.025 4.677 4 HA MET 1 HA MET 1 -12.410 -4.054 2.806 5 HB2 MET 1 2HB MET 1 -13.790 -2.637 1.320 6 HB3 MET 1 1HB MET 1 -14.756 -3.652 2.376 7 HG2 MET 1 2HG MET 1 -15.851 -1.610 2.379 8 HG3 MET 1 1HG MET 1 -14.945 -1.611 3.887 9 HE1 MET 1 2HE MET 1 -15.248 0.978 4.167 10 HE2 MET 1 3HE MET 1 -16.201 1.028 2.683 11 HE3 MET 1 1HE MET 1 -14.866 2.158 2.913 12 H ILE 2 HN ILE 2 -11.307 -2.688 1.213 13 HA ILE 2 HA ILE 2 -10.305 -0.171 2.354 14 HB ILE 2 HB ILE 2 -8.515 -1.768 2.611 15 HG12 ILE 2 2HG1 ILE 2 -7.973 0.015 0.224 16 HG13 ILE 2 1HG1 ILE 2 -7.921 0.525 1.911 17 HG21 ILE 2 1HG2 ILE 2 -9.213 -3.434 0.995 18 HG22 ILE 2 2HG2 ILE 2 -7.538 -2.964 0.704 19 HG23 ILE 2 3HG2 ILE 2 -8.822 -2.341 -0.332 20 HD11 ILE 2 3HD1 ILE 2 -6.138 -1.543 0.643 21 HD12 ILE 2 1HD1 ILE 2 -6.067 -0.990 2.315 22 HD13 ILE 2 2HD1 ILE 2 -5.698 0.126 1.001 23 H THR 3 HN THR 3 -10.611 1.522 1.048 24 HA THR 3 HA THR 3 -11.475 0.935 -1.702 25 HB THR 3 HB THR 3 -12.098 3.373 -0.020 26 HG1 THR 3 1HG THR 3 -13.091 1.190 0.491 27 HG21 THR 3 3HG2 THR 3 -12.101 3.866 -2.413 28 HG22 THR 3 1HG2 THR 3 -13.749 3.862 -1.782 29 HG23 THR 3 2HG2 THR 3 -13.155 2.485 -2.709 30 H LEU 4 HN LEU 4 -10.231 1.537 -3.313 31 HA LEU 4 HA LEU 4 -8.780 4.049 -3.160 32 HB2 LEU 4 2HB LEU 4 -6.736 3.021 -4.165 33 HB3 LEU 4 1HB LEU 4 -7.026 2.596 -2.495 34 HG LEU 4 HG LEU 4 -8.156 0.464 -3.573 35 HD11 LEU 4 1HD1 LEU 4 -6.978 -0.258 -5.589 36 HD12 LEU 4 2HD1 LEU 4 -6.168 1.306 -5.680 37 HD13 LEU 4 3HD1 LEU 4 -7.917 1.206 -5.880 38 HD21 LEU 4 3HD2 LEU 4 -6.246 0.463 -2.044 39 HD22 LEU 4 1HD2 LEU 4 -5.166 0.827 -3.389 40 HD23 LEU 4 2HD2 LEU 4 -6.034 -0.709 -3.344 41 H THR 5 HN THR 5 -7.883 4.583 -5.407 42 HA THR 5 HA THR 5 -10.135 4.014 -7.198 43 HB THR 5 HB THR 5 -9.634 6.092 -8.331 44 HG1 THR 5 1HG THR 5 -7.863 7.325 -6.935 45 HG21 THR 5 3HG2 THR 5 -9.568 6.437 -5.331 46 HG22 THR 5 1HG2 THR 5 -11.016 6.222 -6.318 47 HG23 THR 5 2HG2 THR 5 -10.033 7.675 -6.499 48 H LYS 6 HN LYS 6 -9.701 3.979 -9.524 49 HA LYS 6 HA LYS 6 -7.829 2.127 -10.368 50 HB2 LYS 6 2HB LYS 6 -9.103 4.390 -11.912 51 HB3 LYS 6 1HB LYS 6 -8.243 3.050 -12.643 52 HG2 LYS 6 2HG LYS 6 -10.729 2.805 -10.967 53 HG3 LYS 6 1HG LYS 6 -10.675 2.767 -12.730 54 HD2 LYS 6 2HD LYS 6 -9.226 0.775 -12.618 55 HD3 LYS 6 1HD LYS 6 -9.355 0.801 -10.858 56 HE2 LYS 6 2HE LYS 6 -10.902 -0.818 -11.823 57 HE3 LYS 6 1HE LYS 6 -11.774 0.491 -11.029 58 HZ1 LYS 6 3HZ LYS 6 -12.319 1.458 -13.096 59 HZ2 LYS 6 1HZ LYS 6 -12.656 -0.203 -13.245 60 HZ3 LYS 6 2HZ LYS 6 -11.253 0.439 -13.949 61 H LYS 7 HN LYS 7 -7.625 5.634 -10.302 62 HA LYS 7 HA LYS 7 -5.184 6.039 -11.530 63 HB2 LYS 7 2HB LYS 7 -6.897 7.735 -10.856 64 HB3 LYS 7 1HB LYS 7 -6.368 7.553 -9.194 65 HG2 LYS 7 2HG LYS 7 -4.319 8.249 -11.202 66 HG3 LYS 7 1HG LYS 7 -5.510 9.477 -10.775 67 HD2 LYS 7 2HD LYS 7 -4.941 9.101 -8.378 68 HD3 LYS 7 1HD LYS 7 -3.652 8.017 -8.903 69 HE2 LYS 7 2HE LYS 7 -2.614 9.866 -10.139 70 HE3 LYS 7 1HE LYS 7 -3.897 10.946 -9.585 71 HZ1 LYS 7 3HZ LYS 7 -1.791 11.052 -8.278 72 HZ2 LYS 7 1HZ LYS 7 -2.082 9.467 -7.754 73 HZ3 LYS 7 2HZ LYS 7 -3.161 10.709 -7.346 74 H GLN 8 HN GLN 8 -5.894 5.418 -8.087 75 HA GLN 8 HA GLN 8 -3.213 5.550 -7.174 76 HB2 GLN 8 2HB GLN 8 -5.386 3.812 -5.971 77 HB3 GLN 8 1HB GLN 8 -4.002 4.509 -5.153 78 HG2 GLN 8 2HG GLN 8 -6.373 6.006 -6.235 79 HG3 GLN 8 1HG GLN 8 -6.040 5.652 -4.545 80 HE21 GLN 8 1HE2 GLN 8 -4.463 6.826 -3.467 81 HE22 GLN 8 2HE2 GLN 8 -3.806 8.292 -4.107 82 H MET 9 HN MET 9 -5.230 2.810 -8.235 83 HA MET 9 HA MET 9 -3.337 0.787 -7.807 84 HB2 MET 9 2HB MET 9 -5.642 0.228 -8.237 85 HB3 MET 9 1HB MET 9 -5.581 0.988 -9.819 86 HG2 MET 9 2HG MET 9 -4.138 -0.708 -10.663 87 HG3 MET 9 1HG MET 9 -3.916 -1.395 -9.055 88 HE1 MET 9 3HE MET 9 -7.322 -3.035 -8.286 89 HE2 MET 9 1HE MET 9 -6.677 -1.483 -7.751 90 HE3 MET 9 2HE MET 9 -5.626 -2.898 -7.821 91 H GLU 10 HN GLU 10 -4.016 2.747 -10.671 92 HA GLU 10 HA GLU 10 -2.106 1.693 -12.402 93 HB2 GLU 10 2HB GLU 10 -3.578 4.274 -12.107 94 HB3 GLU 10 1HB GLU 10 -2.258 4.205 -13.248 95 HG2 GLU 10 2HG GLU 10 -4.543 2.265 -13.260 96 HG3 GLU 10 1HG GLU 10 -4.536 3.766 -14.188 97 H GLU 11 HN GLU 11 -1.866 4.238 -9.962 98 HA GLU 11 HA GLU 11 0.755 5.055 -10.531 99 HB2 GLU 11 2HB GLU 11 -1.113 5.277 -8.221 100 HB3 GLU 11 1HB GLU 11 0.560 5.713 -7.976 101 HG2 GLU 11 2HG GLU 11 0.314 7.209 -10.013 102 HG3 GLU 11 1HG GLU 11 -1.418 6.922 -9.867 103 H MET 12 HN MET 12 -0.501 2.572 -8.332 104 HA MET 12 HA MET 12 2.053 1.814 -7.332 105 HB2 MET 12 2HB MET 12 -0.538 0.255 -7.455 106 HB3 MET 12 1HB MET 12 0.891 -0.248 -6.563 107 HG2 MET 12 2HG MET 12 0.716 1.818 -5.213 108 HG3 MET 12 1HG MET 12 -0.782 2.199 -6.060 109 HE1 MET 12 3HE MET 12 -3.106 -0.759 -4.956 110 HE2 MET 12 1HE MET 12 -2.053 -0.746 -6.369 111 HE3 MET 12 2HE MET 12 -2.962 0.701 -5.935 112 H LEU 13 HN LEU 13 -0.018 0.568 -9.915 113 HA LEU 13 HA LEU 13 1.517 -1.650 -10.642 114 HB2 LEU 13 2HB LEU 13 -0.438 0.069 -12.136 115 HB3 LEU 13 1HB LEU 13 0.352 -1.284 -12.914 116 HG LEU 13 HG LEU 13 -1.438 -1.428 -10.486 117 HD11 LEU 13 1HD1 LEU 13 -2.947 -2.644 -11.982 118 HD12 LEU 13 2HD1 LEU 13 -1.846 -2.349 -13.328 119 HD13 LEU 13 3HD1 LEU 13 -2.660 -0.996 -12.541 120 HD21 LEU 13 3HD2 LEU 13 -1.226 -3.845 -10.686 121 HD22 LEU 13 1HD2 LEU 13 0.347 -3.102 -10.402 122 HD23 LEU 13 2HD2 LEU 13 -0.090 -3.647 -12.021 123 H ALA 14 HN ALA 14 1.608 1.675 -11.916 124 HA ALA 14 HA ALA 14 3.567 1.202 -13.885 125 HB1 ALA 14 1HB ALA 14 2.150 3.219 -13.820 126 HB2 ALA 14 2HB ALA 14 3.866 3.611 -13.934 127 HB3 ALA 14 3HB ALA 14 3.025 3.768 -12.392 128 H HIS 15 HN HIS 15 3.840 2.157 -10.486 129 HA HIS 15 HA HIS 15 6.657 2.514 -10.539 130 HB2 HIS 15 2HB HIS 15 5.096 3.411 -8.777 131 HB3 HIS 15 1HB HIS 15 4.987 1.779 -8.133 132 HD1 HIS 15 1HD HIS 15 7.656 4.382 -8.861 133 HD2 HIS 15 2HD HIS 15 6.914 1.177 -6.317 134 HE1 HIS 15 1HE HIS 15 9.569 4.354 -7.229 135 HE2 HIS 15 2HE HIS 15 8.962 2.564 -5.559 136 H ALA 16 HN ALA 16 4.563 -0.219 -10.004 137 HA ALA 16 HA ALA 16 6.539 -1.967 -8.944 138 HB1 ALA 16 1HB ALA 16 4.151 -2.375 -8.623 139 HB2 ALA 16 2HB ALA 16 4.925 -3.750 -9.412 140 HB3 ALA 16 3HB ALA 16 3.953 -2.621 -10.358 141 H ARG 17 HN ARG 17 5.250 -1.348 -12.148 142 HA ARG 17 HA ARG 17 6.748 -3.196 -13.609 143 HB2 ARG 17 2HB ARG 17 4.803 -1.791 -14.401 144 HB3 ARG 17 1HB ARG 17 5.916 -0.432 -14.504 145 HG2 ARG 17 2HG ARG 17 7.310 -1.947 -16.004 146 HG3 ARG 17 1HG ARG 17 5.858 -2.940 -16.111 147 HD2 ARG 17 2HD ARG 17 6.165 -0.058 -16.922 148 HD3 ARG 17 1HD ARG 17 5.893 -1.439 -17.982 149 HE ARG 17 HE ARG 17 3.788 -1.233 -16.115 150 HH11 ARG 17 1HH1 ARG 17 5.078 0.331 -18.963 151 HH12 ARG 17 2HH1 ARG 17 3.538 0.967 -19.476 152 HH21 ARG 17 1HH2 ARG 17 1.755 -0.381 -16.758 153 HH22 ARG 17 2HH2 ARG 17 1.646 0.577 -18.205 154 H GLN 18 HN GLN 18 7.400 0.134 -12.661 155 HA GLN 18 HA GLN 18 9.897 0.408 -13.931 156 HB2 GLN 18 2HB GLN 18 8.565 2.297 -13.119 157 HB3 GLN 18 1HB GLN 18 8.824 1.778 -11.464 158 HG2 GLN 18 2HG GLN 18 11.230 2.148 -11.734 159 HG3 GLN 18 1HG GLN 18 10.943 2.712 -13.380 160 HE21 GLN 18 1HE2 GLN 18 10.040 4.715 -13.719 161 HE22 GLN 18 2HE2 GLN 18 9.871 5.892 -12.458 162 H ALA 19 HN ALA 19 8.977 -0.843 -10.793 163 HA ALA 19 HA ALA 19 11.613 -0.825 -9.699 164 HB1 ALA 19 1HB ALA 19 9.609 -0.649 -8.310 165 HB2 ALA 19 2HB ALA 19 10.636 -1.995 -7.815 166 HB3 ALA 19 3HB ALA 19 9.166 -2.301 -8.744 167 H LEU 20 HN LEU 20 10.059 -2.957 -11.851 168 HA LEU 20 HA LEU 20 11.042 -5.437 -11.076 169 HB2 LEU 20 2HB LEU 20 10.511 -4.339 -13.834 170 HB3 LEU 20 1HB LEU 20 10.865 -6.023 -13.506 171 HG LEU 20 HG LEU 20 8.475 -4.491 -12.487 172 HD11 LEU 20 1HD1 LEU 20 8.692 -6.667 -14.561 173 HD12 LEU 20 2HD1 LEU 20 8.340 -4.966 -14.866 174 HD13 LEU 20 3HD1 LEU 20 7.194 -5.955 -13.965 175 HD21 LEU 20 3HD2 LEU 20 9.253 -7.384 -12.125 176 HD22 LEU 20 1HD2 LEU 20 7.697 -6.686 -11.676 177 HD23 LEU 20 2HD2 LEU 20 9.170 -6.152 -10.866 178 HA PRO 21 HA PRO 21 11.809 -7.190 -11.740 179 HB2 PRO 21 2HB PRO 21 13.721 -9.009 -11.463 180 HB3 PRO 21 1HB PRO 21 13.353 -8.329 -13.052 181 HG2 PRO 21 2HG PRO 21 15.655 -7.797 -11.255 182 HG3 PRO 21 1HG PRO 21 15.575 -7.760 -13.022 183 HD2 PRO 21 2HD PRO 21 15.397 -5.552 -11.221 184 HD3 PRO 21 1HD PRO 21 15.210 -5.523 -12.985 185 H ASN 22 HN ASN 22 12.741 -5.207 -9.673 186 HA ASN 22 HA ASN 22 13.239 -7.000 -7.410 187 HB2 ASN 22 2HB ASN 22 13.738 -4.136 -7.938 188 HB3 ASN 22 1HB ASN 22 13.234 -4.531 -6.297 189 HD21 ASN 22 1HD2 ASN 22 14.564 -5.744 -4.984 190 HD22 ASN 22 2HD2 ASN 22 16.225 -6.053 -5.393 191 H GLU 23 HN GLU 23 12.109 -5.694 -5.349 192 HA GLU 23 HA GLU 23 9.297 -6.247 -5.860 193 HB2 GLU 23 2HB GLU 23 9.090 -6.231 -3.366 194 HB3 GLU 23 1HB GLU 23 10.189 -7.447 -3.992 195 HG2 GLU 23 2HG GLU 23 11.110 -4.794 -2.915 196 HG3 GLU 23 1HG GLU 23 10.942 -6.240 -1.923 197 H ALA 24 HN ALA 24 7.809 -4.728 -6.014 198 HA ALA 24 HA ALA 24 8.445 -1.967 -5.809 199 HB1 ALA 24 1HB ALA 24 6.760 -2.848 -7.377 200 HB2 ALA 24 2HB ALA 24 6.112 -1.576 -6.342 201 HB3 ALA 24 3HB ALA 24 5.728 -3.265 -6.011 202 H CYS 25 HN CYS 25 8.013 -0.525 -4.225 203 HA CYS 25 HA CYS 25 6.583 -1.400 -1.846 204 HB2 CYS 25 2HB CYS 25 8.520 -0.386 -0.478 205 HB3 CYS 25 1HB CYS 25 8.748 -1.993 -1.158 206 HG CYS 25 HG CYS 25 10.641 -1.407 -2.881 207 H GLY 26 HN GLY 26 6.325 0.465 -0.290 208 HA2 GLY 26 2HA GLY 26 6.794 3.100 -0.727 209 HA3 GLY 26 1HA GLY 26 5.409 2.765 -1.759 210 H LEU 27 HN LEU 27 4.578 4.480 -0.164 211 HA LEU 27 HA LEU 27 3.387 3.074 2.141 212 HB2 LEU 27 2HB LEU 27 4.268 5.959 1.976 213 HB3 LEU 27 1HB LEU 27 3.331 5.286 3.293 214 HG LEU 27 HG LEU 27 6.134 4.454 2.541 215 HD11 LEU 27 1HD1 LEU 27 6.068 6.686 3.482 216 HD12 LEU 27 2HD1 LEU 27 6.756 5.552 4.645 217 HD13 LEU 27 3HD1 LEU 27 5.093 6.111 4.833 218 HD21 LEU 27 3HD2 LEU 27 4.873 2.609 3.511 219 HD22 LEU 27 1HD2 LEU 27 4.378 3.636 4.858 220 HD23 LEU 27 2HD2 LEU 27 6.077 3.204 4.655 221 H LEU 28 HN LEU 28 1.267 3.765 2.744 222 HA LEU 28 HA LEU 28 -0.177 5.122 0.564 223 HB2 LEU 28 2HB LEU 28 -1.099 2.815 2.275 224 HB3 LEU 28 1HB LEU 28 -2.123 3.692 1.153 225 HG LEU 28 HG LEU 28 0.324 2.098 0.387 226 HD11 LEU 28 1HD1 LEU 28 -1.502 0.684 1.174 227 HD12 LEU 28 2HD1 LEU 28 -1.262 0.514 -0.565 228 HD13 LEU 28 3HD1 LEU 28 -2.605 1.476 0.051 229 HD21 LEU 28 3HD2 LEU 28 -0.093 3.969 -1.124 230 HD22 LEU 28 1HD2 LEU 28 -1.771 3.457 -1.310 231 HD23 LEU 28 2HD2 LEU 28 -0.463 2.432 -1.905 232 H GLY 29 HN GLY 29 -1.522 6.728 1.100 233 HA2 GLY 29 2HA GLY 29 -1.879 7.250 3.987 234 HA3 GLY 29 1HA GLY 29 -1.508 8.523 2.831 235 H GLY 30 HN GLY 30 -3.752 8.399 4.582 236 HA2 GLY 30 2HA GLY 30 -5.800 9.385 3.133 237 HA3 GLY 30 1HA GLY 30 -6.050 7.647 3.005 238 H ARG 31 HN ARG 31 -7.974 7.695 4.215 239 HA ARG 31 HA ARG 31 -7.560 8.321 7.050 240 HB2 ARG 31 2HB ARG 31 -9.275 9.667 5.561 241 HB3 ARG 31 1HB ARG 31 -10.294 8.262 5.862 242 HG2 ARG 31 2HG ARG 31 -9.858 8.569 8.285 243 HG3 ARG 31 1HG ARG 31 -9.052 10.082 7.894 244 HD2 ARG 31 2HD ARG 31 -11.173 10.826 6.791 245 HD3 ARG 31 1HD ARG 31 -11.944 9.376 7.439 246 HE ARG 31 HE ARG 31 -10.671 11.410 9.165 247 HH11 ARG 31 1HH1 ARG 31 -13.376 9.319 8.381 248 HH12 ARG 31 2HH1 ARG 31 -14.252 9.680 9.837 249 HH21 ARG 31 1HH2 ARG 31 -11.832 11.926 11.060 250 HH22 ARG 31 2HH2 ARG 31 -13.381 11.194 11.352 251 H ARG 32 HN ARG 32 -8.329 6.876 8.558 252 HA ARG 32 HA ARG 32 -9.577 4.429 7.524 253 HB2 ARG 32 2HB ARG 32 -8.330 3.085 9.121 254 HB3 ARG 32 1HB ARG 32 -7.213 3.966 8.093 255 HG2 ARG 32 2HG ARG 32 -6.856 5.597 9.881 256 HG3 ARG 32 1HG ARG 32 -7.983 4.710 10.910 257 HD2 ARG 32 2HD ARG 32 -6.496 2.709 10.655 258 HD3 ARG 32 1HD ARG 32 -5.334 3.754 9.838 259 HE ARG 32 HE ARG 32 -6.126 4.784 12.389 260 HH11 ARG 32 1HH1 ARG 32 -3.967 2.498 10.826 261 HH12 ARG 32 2HH1 ARG 32 -2.831 2.486 12.140 262 HH21 ARG 32 1HH2 ARG 32 -4.651 4.770 14.087 263 HH22 ARG 32 2HH2 ARG 32 -3.224 3.785 13.997 264 H ASP 33 HN ASP 33 -11.292 3.670 8.698 265 HA ASP 33 HA ASP 33 -11.807 4.790 11.340 266 HB2 ASP 33 2HB ASP 33 -12.813 6.394 9.640 267 HB3 ASP 33 1HB ASP 33 -13.917 5.096 9.196 268 H GLY 34 HN GLY 34 -13.196 3.503 12.578 269 HA2 GLY 34 2HA GLY 34 -13.990 1.441 13.245 270 HA3 GLY 34 1HA GLY 34 -14.438 1.154 11.564 271 H ASP 35 HN ASP 35 -13.160 -0.087 10.303 272 HA ASP 35 HA ASP 35 -10.361 -0.415 11.039 273 HB2 ASP 35 2HB ASP 35 -12.028 -2.422 11.774 274 HB3 ASP 35 1HB ASP 35 -11.663 -2.920 10.125 275 H ASP 36 HN ASP 36 -12.313 0.761 8.965 276 HA ASP 36 HA ASP 36 -11.317 -0.547 6.539 277 HB2 ASP 36 2HB ASP 36 -13.370 1.651 6.768 278 HB3 ASP 36 1HB ASP 36 -12.992 0.723 5.332 279 H ARG 37 HN ARG 37 -10.449 0.712 4.856 280 HA ARG 37 HA ARG 37 -9.162 3.194 5.738 281 HB2 ARG 37 2HB ARG 37 -7.739 0.933 4.314 282 HB3 ARG 37 1HB ARG 37 -7.033 2.480 4.761 283 HG2 ARG 37 2HG ARG 37 -6.323 1.413 6.587 284 HG3 ARG 37 1HG ARG 37 -7.981 1.592 7.161 285 HD2 ARG 37 2HD ARG 37 -8.393 -0.637 5.900 286 HD3 ARG 37 1HD ARG 37 -6.640 -0.802 5.958 287 HE ARG 37 HE ARG 37 -8.488 -1.197 8.105 288 HH11 ARG 37 1HH1 ARG 37 -5.191 -0.177 7.416 289 HH12 ARG 37 2HH1 ARG 37 -4.596 -0.644 8.978 290 HH21 ARG 37 1HH2 ARG 37 -7.687 -1.841 10.140 291 HH22 ARG 37 2HH2 ARG 37 -6.003 -1.593 10.511 292 H TRP 38 HN TRP 38 -9.157 4.792 4.274 293 HA TRP 38 HA TRP 38 -9.941 4.129 1.508 294 HB2 TRP 38 2HB TRP 38 -10.442 6.672 3.071 295 HB3 TRP 38 1HB TRP 38 -10.887 6.410 1.387 296 HD1 TRP 38 1HD TRP 38 -12.942 4.764 0.900 297 HE1 TRP 38 1HE TRP 38 -14.883 3.961 2.384 298 HE3 TRP 38 3HE TRP 38 -11.054 6.066 5.465 299 HZ2 TRP 38 2HZ TRP 38 -15.526 3.884 5.131 300 HZ3 TRP 38 3HZ TRP 38 -12.392 5.585 7.472 301 HH2 TRP 38 2HH TRP 38 -14.581 4.515 7.305 302 H VAL 39 HN VAL 39 -8.342 4.365 0.096 303 HA VAL 39 HA VAL 39 -5.943 5.819 0.892 304 HB VAL 39 HB VAL 39 -6.409 4.163 -1.597 305 HG11 VAL 39 1HG1 VAL 39 -3.873 5.147 -0.288 306 HG12 VAL 39 2HG1 VAL 39 -4.540 5.682 -1.831 307 HG13 VAL 39 3HG1 VAL 39 -3.946 4.032 -1.651 308 HG21 VAL 39 3HG2 VAL 39 -6.737 2.793 0.382 309 HG22 VAL 39 1HG2 VAL 39 -5.201 3.351 1.046 310 HG23 VAL 39 2HG2 VAL 39 -5.221 2.367 -0.417 311 H GLU 40 HN GLU 40 -5.998 7.948 0.491 312 HA GLU 40 HA GLU 40 -6.893 8.807 -2.177 313 HB2 GLU 40 2HB GLU 40 -7.360 11.009 -1.228 314 HB3 GLU 40 1HB GLU 40 -8.222 9.772 -0.334 315 HG2 GLU 40 2HG GLU 40 -7.458 11.066 1.366 316 HG3 GLU 40 1HG GLU 40 -6.147 9.894 1.246 317 H ARG 41 HN ARG 41 -4.219 8.169 -0.373 318 HA ARG 41 HA ARG 41 -2.529 9.872 -2.070 319 HB2 ARG 41 2HB ARG 41 -2.696 9.816 0.851 320 HB3 ARG 41 1HB ARG 41 -1.065 9.578 0.247 321 HG2 ARG 41 2HG ARG 41 -1.084 11.664 -0.878 322 HG3 ARG 41 1HG ARG 41 -2.816 11.866 -0.599 323 HD2 ARG 41 2HD ARG 41 -2.467 12.085 1.766 324 HD3 ARG 41 1HD ARG 41 -0.758 11.690 1.596 325 HE ARG 41 HE ARG 41 -0.340 13.858 1.018 326 HH11 ARG 41 1HH1 ARG 41 -3.793 13.259 0.767 327 HH12 ARG 41 2HH1 ARG 41 -4.175 14.929 0.441 328 HH21 ARG 41 1HH2 ARG 41 -0.847 16.035 0.648 329 HH22 ARG 41 2HH2 ARG 41 -2.495 16.515 0.381 330 H VAL 42 HN VAL 42 -1.159 8.669 -3.208 331 HA VAL 42 HA VAL 42 -0.136 6.187 -1.989 332 HB VAL 42 HB VAL 42 -0.597 6.757 -4.927 333 HG11 VAL 42 1HG1 VAL 42 0.643 4.339 -3.618 334 HG12 VAL 42 2HG1 VAL 42 1.477 5.517 -4.631 335 HG13 VAL 42 3HG1 VAL 42 0.227 4.482 -5.325 336 HG21 VAL 42 3HG2 VAL 42 -2.628 6.144 -3.742 337 HG22 VAL 42 1HG2 VAL 42 -1.829 4.726 -3.067 338 HG23 VAL 42 2HG2 VAL 42 -2.118 4.832 -4.804 339 H TYR 43 HN TYR 43 1.928 6.310 -1.473 340 HA TYR 43 HA TYR 43 3.655 8.058 -3.087 341 HB2 TYR 43 2HB TYR 43 3.635 7.608 -0.115 342 HB3 TYR 43 1HB TYR 43 5.081 8.180 -0.944 343 HD1 TYR 43 1HD TYR 43 5.117 10.369 -2.020 344 HD2 TYR 43 2HD TYR 43 1.700 9.045 0.138 345 HE1 TYR 43 1HE TYR 43 4.246 12.667 -2.001 346 HE2 TYR 43 2HE TYR 43 0.823 11.342 0.167 347 HH TYR 43 HH TYR 43 1.672 13.648 -0.020 348 HA PRO 44 HA PRO 44 5.262 3.843 -3.620 349 HB2 PRO 44 2HB PRO 44 5.947 4.667 -6.305 350 HB3 PRO 44 1HB PRO 44 4.756 3.470 -5.792 351 HG2 PRO 44 2HG PRO 44 4.114 5.859 -6.962 352 HG3 PRO 44 1HG PRO 44 3.035 4.966 -5.878 353 HD2 PRO 44 2HD PRO 44 4.773 7.329 -5.299 354 HD3 PRO 44 1HD PRO 44 3.132 6.964 -4.720 355 H LEU 45 HN LEU 45 7.059 4.092 -2.340 356 HA LEU 45 HA LEU 45 9.221 5.830 -3.165 357 HB2 LEU 45 2HB LEU 45 9.036 3.944 -0.816 358 HB3 LEU 45 1HB LEU 45 10.277 5.159 -1.067 359 HG LEU 45 HG LEU 45 7.343 5.719 -0.611 360 HD11 LEU 45 1HD1 LEU 45 9.723 6.080 1.203 361 HD12 LEU 45 2HD1 LEU 45 8.438 4.886 1.392 362 HD13 LEU 45 3HD1 LEU 45 8.076 6.605 1.546 363 HD21 LEU 45 3HD2 LEU 45 8.381 7.399 -2.036 364 HD22 LEU 45 1HD2 LEU 45 9.687 7.602 -0.865 365 HD23 LEU 45 2HD2 LEU 45 8.039 8.059 -0.436 366 H ASN 46 HN ASN 46 11.503 4.809 -2.891 367 HA ASN 46 HA ASN 46 11.533 2.408 -4.583 368 HB2 ASN 46 2HB ASN 46 12.629 4.462 -5.469 369 HB3 ASN 46 1HB ASN 46 13.734 4.429 -4.099 370 HD21 ASN 46 1HD2 ASN 46 15.534 4.230 -5.393 371 HD22 ASN 46 2HD2 ASN 46 15.910 2.770 -6.246 372 H ASN 47 HN ASN 47 13.089 0.743 -4.141 373 HA ASN 47 HA ASN 47 13.519 0.282 -1.322 374 HB2 ASN 47 2HB ASN 47 12.916 -1.536 -2.984 375 HB3 ASN 47 1HB ASN 47 14.532 -1.368 -3.657 376 HD21 ASN 47 1HD2 ASN 47 13.453 -3.740 -2.561 377 HD22 ASN 47 2HD2 ASN 47 14.384 -4.151 -1.161 378 H LEU 48 HN LEU 48 15.086 1.475 -0.407 379 HA LEU 48 HA LEU 48 17.258 2.597 -1.798 380 HB2 LEU 48 2HB LEU 48 16.526 2.289 1.074 381 HB3 LEU 48 1HB LEU 48 18.142 2.830 0.666 382 HG LEU 48 HG LEU 48 16.565 4.668 1.172 383 HD11 LEU 48 1HD1 LEU 48 17.628 4.616 -1.645 384 HD12 LEU 48 2HD1 LEU 48 18.521 5.092 -0.201 385 HD13 LEU 48 3HD1 LEU 48 17.157 6.063 -0.754 386 HD21 LEU 48 3HD2 LEU 48 14.525 3.730 0.263 387 HD22 LEU 48 1HD2 LEU 48 15.202 3.794 -1.365 388 HD23 LEU 48 2HD2 LEU 48 14.874 5.288 -0.487 389 H ASP 49 HN ASP 49 16.848 -0.549 -0.508 390 HA ASP 49 HA ASP 49 19.751 -1.004 -0.564 391 HB2 ASP 49 2HB ASP 49 17.517 -2.750 0.481 392 HB3 ASP 49 1HB ASP 49 19.215 -3.208 0.460 393 H GLN 50 HN GLN 50 16.962 -1.373 -2.393 394 HA GLN 50 HA GLN 50 16.263 -2.664 -4.124 395 HB2 GLN 50 2HB GLN 50 17.738 -2.643 -6.048 396 HB3 GLN 50 1HB GLN 50 17.803 -1.101 -5.214 397 HG2 GLN 50 2HG GLN 50 19.947 -1.560 -4.341 398 HG3 GLN 50 1HG GLN 50 19.854 -3.256 -4.815 399 HE21 GLN 50 1HE2 GLN 50 20.101 -3.812 -6.962 400 HE22 GLN 50 2HE2 GLN 50 20.814 -2.745 -8.124 401 H SER 51 HN SER 51 16.891 -4.285 -1.973 402 HA SER 51 HA SER 51 17.865 -6.692 -3.331 403 HB2 SER 51 2HB SER 51 19.728 -5.932 -2.005 404 HB3 SER 51 1HB SER 51 18.692 -5.675 -0.606 405 HG SER 51 HG SER 51 19.996 -7.887 -1.329 406 HA PRO 52 HA PRO 52 14.267 -8.449 -1.321 407 HB2 PRO 52 2HB PRO 52 15.299 -11.081 -1.964 408 HB3 PRO 52 1HB PRO 52 13.929 -10.230 -2.681 409 HG2 PRO 52 2HG PRO 52 16.243 -10.748 -4.025 410 HG3 PRO 52 1HG PRO 52 15.190 -9.369 -4.387 411 HD2 PRO 52 2HD PRO 52 17.734 -9.451 -2.804 412 HD3 PRO 52 1HD PRO 52 17.168 -8.236 -3.972 413 H GLU 53 HN GLU 53 17.500 -8.812 -0.468 414 HA GLU 53 HA GLU 53 17.000 -10.486 1.862 415 HB2 GLU 53 2HB GLU 53 19.505 -9.028 0.989 416 HB3 GLU 53 1HB GLU 53 19.400 -10.191 2.305 417 HG2 GLU 53 2HG GLU 53 18.807 -11.942 0.712 418 HG3 GLU 53 1HG GLU 53 18.914 -10.776 -0.608 419 H HIS 54 HN HIS 54 16.630 -7.328 0.977 420 HA HIS 54 HA HIS 54 16.652 -6.404 3.767 421 HB2 HIS 54 2HB HIS 54 17.862 -5.100 1.352 422 HB3 HIS 54 1HB HIS 54 17.203 -4.100 2.631 423 HD1 HIS 54 1HD HIS 54 19.055 -3.231 3.970 424 HD2 HIS 54 2HD HIS 54 19.684 -7.169 2.819 425 HE1 HIS 54 1HE HIS 54 21.250 -3.895 5.008 426 HE2 HIS 54 2HE HIS 54 21.707 -6.211 4.119 427 H PHE 55 HN PHE 55 15.470 -4.095 3.689 428 HA PHE 55 HA PHE 55 13.567 -3.640 1.640 429 HB2 PHE 55 2HB PHE 55 12.524 -5.614 2.833 430 HB3 PHE 55 1HB PHE 55 12.378 -4.595 4.257 431 HD1 PHE 55 1HD PHE 55 11.472 -4.633 0.645 432 HD2 PHE 55 2HD PHE 55 10.415 -3.435 4.588 433 HE1 PHE 55 1HE PHE 55 9.308 -3.819 -0.189 434 HE2 PHE 55 2HE PHE 55 8.246 -2.615 3.761 435 HZ PHE 55 HZ PHE 55 7.691 -2.808 1.368 436 H SER 56 HN SER 56 14.319 -1.570 1.712 437 HA SER 56 HA SER 56 13.586 -0.016 4.085 438 HB2 SER 56 2HB SER 56 16.193 0.382 2.611 439 HB3 SER 56 1HB SER 56 15.669 1.186 4.088 440 HG SER 56 HG SER 56 16.830 -1.278 3.731 441 H MET 57 HN MET 57 12.583 1.826 3.633 442 HA MET 57 HA MET 57 12.549 2.737 0.830 443 HB2 MET 57 2HB MET 57 10.447 3.009 2.991 444 HB3 MET 57 1HB MET 57 10.366 3.837 1.443 445 HG2 MET 57 2HG MET 57 8.986 1.958 1.240 446 HG3 MET 57 1HG MET 57 10.459 1.561 0.360 447 HE1 MET 57 3HE MET 57 9.911 1.579 4.274 448 HE2 MET 57 1HE MET 57 9.412 -0.091 4.542 449 HE3 MET 57 2HE MET 57 8.373 1.002 3.628 450 H ASP 58 HN ASP 58 14.090 3.308 3.500 451 HA ASP 58 HA ASP 58 15.407 5.003 4.235 452 HB2 ASP 58 2HB ASP 58 15.633 5.763 1.920 453 HB3 ASP 58 1HB ASP 58 14.106 6.628 2.034 454 HA PRO 59 HA PRO 59 12.712 6.703 7.264 455 HB2 PRO 59 2HB PRO 59 14.894 8.530 8.008 456 HB3 PRO 59 1HB PRO 59 14.144 7.238 8.948 457 HG2 PRO 59 2HG PRO 59 16.638 7.016 7.973 458 HG3 PRO 59 1HG PRO 59 15.549 5.619 8.096 459 HD2 PRO 59 2HD PRO 59 16.258 7.273 5.701 460 HD3 PRO 59 1HD PRO 59 16.070 5.512 5.837 461 H ARG 60 HN ARG 60 14.557 8.930 5.234 462 HA ARG 60 HA ARG 60 13.013 11.211 6.054 463 HB2 ARG 60 2HB ARG 60 15.051 10.874 3.847 464 HB3 ARG 60 1HB ARG 60 14.331 12.410 4.324 465 HG2 ARG 60 2HG ARG 60 15.292 12.239 6.518 466 HG3 ARG 60 1HG ARG 60 15.903 10.623 6.167 467 HD2 ARG 60 2HD ARG 60 17.369 11.551 4.448 468 HD3 ARG 60 1HD ARG 60 16.749 13.169 4.792 469 HE ARG 60 HE ARG 60 17.605 12.396 7.203 470 HH11 ARG 60 1HH1 ARG 60 19.165 12.288 4.061 471 HH12 ARG 60 2HH1 ARG 60 20.770 12.462 4.723 472 HH21 ARG 60 1HH2 ARG 60 19.696 12.532 8.074 473 HH22 ARG 60 2HH2 ARG 60 21.071 12.578 7.007 474 H GLU 61 HN GLU 61 13.111 9.071 3.250 475 HA GLU 61 HA GLU 61 11.167 10.358 1.684 476 HB2 GLU 61 2HB GLU 61 11.633 7.383 1.990 477 HB3 GLU 61 1HB GLU 61 10.783 8.159 0.663 478 HG2 GLU 61 2HG GLU 61 13.672 8.664 1.315 479 HG3 GLU 61 1HG GLU 61 13.121 7.439 0.174 480 H GLN 62 HN GLN 62 10.868 7.877 4.192 481 HA GLN 62 HA GLN 62 8.055 7.693 4.147 482 HB2 GLN 62 2HB GLN 62 10.033 7.082 6.347 483 HB3 GLN 62 1HB GLN 62 8.326 6.668 6.415 484 HG2 GLN 62 2HG GLN 62 8.584 5.218 4.481 485 HG3 GLN 62 1HG GLN 62 10.286 5.664 4.361 486 HE21 GLN 62 1HE2 GLN 62 8.682 5.177 7.420 487 HE22 GLN 62 2HE2 GLN 62 9.501 3.714 7.844 488 H LEU 63 HN LEU 63 10.264 9.570 6.203 489 HA LEU 63 HA LEU 63 8.387 10.654 7.947 490 HB2 LEU 63 2HB LEU 63 10.803 10.793 8.292 491 HB3 LEU 63 1HB LEU 63 10.947 11.892 6.933 492 HG LEU 63 HG LEU 63 9.549 13.538 8.177 493 HD11 LEU 63 1HD1 LEU 63 8.357 11.993 9.624 494 HD12 LEU 63 2HD1 LEU 63 9.210 13.209 10.575 495 HD13 LEU 63 3HD1 LEU 63 9.864 11.577 10.442 496 HD21 LEU 63 3HD2 LEU 63 11.304 14.195 9.745 497 HD22 LEU 63 1HD2 LEU 63 11.979 13.691 8.197 498 HD23 LEU 63 2HD2 LEU 63 12.047 12.602 9.584 499 H THR 64 HN THR 64 9.547 11.929 4.845 500 HA THR 64 HA THR 64 8.146 14.369 4.977 501 HB THR 64 HB THR 64 8.961 12.873 2.476 502 HG1 THR 64 1HG THR 64 10.837 13.104 3.573 503 HG21 THR 64 3HG2 THR 64 8.515 15.817 3.001 504 HG22 THR 64 1HG2 THR 64 7.483 14.763 2.034 505 HG23 THR 64 2HG2 THR 64 9.123 15.129 1.495 506 H ALA 65 HN ALA 65 7.283 11.205 3.640 507 HA ALA 65 HA ALA 65 4.833 12.016 2.474 508 HB1 ALA 65 1HB ALA 65 5.989 9.955 1.831 509 HB2 ALA 65 2HB ALA 65 4.326 9.641 2.326 510 HB3 ALA 65 3HB ALA 65 5.658 9.276 3.424 511 H VAL 66 HN VAL 66 5.618 10.536 5.615 512 HA VAL 66 HA VAL 66 2.961 10.344 6.536 513 HB VAL 66 HB VAL 66 5.512 10.621 8.142 514 HG11 VAL 66 1HG1 VAL 66 4.213 9.611 9.988 515 HG12 VAL 66 2HG1 VAL 66 2.755 9.735 9.005 516 HG13 VAL 66 3HG1 VAL 66 3.596 11.196 9.522 517 HG21 VAL 66 3HG2 VAL 66 5.547 8.665 6.720 518 HG22 VAL 66 1HG2 VAL 66 3.940 8.196 7.278 519 HG23 VAL 66 2HG2 VAL 66 5.303 8.175 8.396 520 H LYS 67 HN LYS 67 5.382 12.903 6.842 521 HA LYS 67 HA LYS 67 3.875 14.636 8.475 522 HB2 LYS 67 2HB LYS 67 6.307 14.885 8.016 523 HB3 LYS 67 1HB LYS 67 5.922 15.372 6.376 524 HG2 LYS 67 2HG LYS 67 4.861 17.361 7.114 525 HG3 LYS 67 1HG LYS 67 4.925 16.843 8.798 526 HD2 LYS 67 2HD LYS 67 7.334 17.414 7.072 527 HD3 LYS 67 1HD LYS 67 6.631 18.542 8.233 528 HE2 LYS 67 2HE LYS 67 7.002 16.801 10.003 529 HE3 LYS 67 1HE LYS 67 7.903 15.870 8.808 530 HZ1 LYS 67 3HZ LYS 67 9.326 17.237 10.244 531 HZ2 LYS 67 1HZ LYS 67 8.573 18.633 9.651 532 HZ3 LYS 67 2HZ LYS 67 9.481 17.649 8.607 533 H ASP 68 HN ASP 68 4.090 14.236 4.997 534 HA ASP 68 HA ASP 68 2.519 16.388 4.174 535 HB2 ASP 68 2HB ASP 68 3.868 14.985 2.658 536 HB3 ASP 68 1HB ASP 68 2.749 13.653 2.906 537 H MET 69 HN MET 69 1.550 13.024 4.847 538 HA MET 69 HA MET 69 -1.213 13.383 4.512 539 HB2 MET 69 2HB MET 69 0.484 11.377 5.879 540 HB3 MET 69 1HB MET 69 -1.186 11.462 6.412 541 HG2 MET 69 2HG MET 69 -1.367 9.902 4.770 542 HG3 MET 69 1HG MET 69 -1.683 11.362 3.839 543 HE1 MET 69 3HE MET 69 2.206 8.897 3.766 544 HE2 MET 69 1HE MET 69 0.707 8.400 4.550 545 HE3 MET 69 2HE MET 69 1.656 9.729 5.219 546 H ARG 70 HN ARG 70 0.785 13.667 7.430 547 HA ARG 70 HA ARG 70 -1.321 14.180 9.219 548 HB2 ARG 70 2HB ARG 70 1.620 14.748 9.275 549 HB3 ARG 70 1HB ARG 70 0.574 15.334 10.560 550 HG2 ARG 70 2HG ARG 70 0.606 12.445 9.762 551 HG3 ARG 70 1HG ARG 70 1.774 13.108 10.906 552 HD2 ARG 70 2HD ARG 70 -0.062 12.159 12.133 553 HD3 ARG 70 1HD ARG 70 -0.112 13.909 12.297 554 HE ARG 70 HE ARG 70 -1.816 12.606 10.290 555 HH11 ARG 70 1HH1 ARG 70 -1.463 14.468 13.229 556 HH12 ARG 70 2HH1 ARG 70 -3.159 14.824 13.372 557 HH21 ARG 70 1HH2 ARG 70 -4.052 13.066 10.458 558 HH22 ARG 70 2HH2 ARG 70 -4.644 14.012 11.792 559 H LYS 71 HN LYS 71 0.535 16.325 7.155 560 HA LYS 71 HA LYS 71 -0.119 18.778 8.297 561 HB2 LYS 71 2HB LYS 71 1.563 18.492 6.532 562 HB3 LYS 71 1HB LYS 71 0.297 18.122 5.375 563 HG2 LYS 71 2HG LYS 71 -0.650 20.398 5.820 564 HG3 LYS 71 1HG LYS 71 0.804 20.742 6.757 565 HD2 LYS 71 2HD LYS 71 2.186 20.385 4.809 566 HD3 LYS 71 1HD LYS 71 0.781 19.901 3.861 567 HE2 LYS 71 2HE LYS 71 1.276 22.621 5.064 568 HE3 LYS 71 1HE LYS 71 1.405 22.196 3.360 569 HZ1 LYS 71 3HZ LYS 71 -1.080 22.116 4.990 570 HZ2 LYS 71 1HZ LYS 71 -0.964 21.666 3.358 571 HZ3 LYS 71 2HZ LYS 71 -0.695 23.276 3.817 572 H ASN 72 HN ASN 72 -1.910 16.796 5.995 573 HA ASN 72 HA ASN 72 -3.939 18.888 5.770 574 HB2 ASN 72 2HB ASN 72 -2.891 17.358 3.837 575 HB3 ASN 72 1HB ASN 72 -4.254 16.336 4.285 576 HD21 ASN 72 1HD2 ASN 72 -5.283 16.694 2.306 577 HD22 ASN 72 2HD2 ASN 72 -6.040 18.198 1.917 578 H GLY 73 HN GLY 73 -3.362 16.450 7.857 579 HA2 GLY 73 2HA GLY 73 -4.825 16.024 9.659 580 HA3 GLY 73 1HA GLY 73 -6.180 16.453 8.631 581 H TRP 74 HN TRP 74 -3.929 14.273 7.237 582 HA TRP 74 HA TRP 74 -5.847 12.088 7.678 583 HB2 TRP 74 2HB TRP 74 -4.052 12.822 5.426 584 HB3 TRP 74 1HB TRP 74 -4.366 11.111 5.699 585 HD1 TRP 74 1HD TRP 74 -7.294 10.810 6.178 586 HE1 TRP 74 1HE TRP 74 -9.085 11.543 4.478 587 HE3 TRP 74 3HE TRP 74 -4.570 14.254 3.564 588 HZ2 TRP 74 2HZ TRP 74 -9.300 13.323 2.300 589 HZ3 TRP 74 3HZ TRP 74 -5.651 15.437 1.697 590 HH2 TRP 74 2HH TRP 74 -7.967 14.985 1.085 591 H VAL 75 HN VAL 75 -4.513 9.874 7.205 592 HA VAL 75 HA VAL 75 -2.189 9.834 8.996 593 HB VAL 75 HB VAL 75 -3.046 7.786 10.086 594 HG11 VAL 75 1HG1 VAL 75 -4.700 8.874 11.533 595 HG12 VAL 75 2HG1 VAL 75 -4.850 10.186 10.362 596 HG13 VAL 75 3HG1 VAL 75 -3.323 9.923 11.202 597 HG21 VAL 75 3HG2 VAL 75 -5.429 7.218 9.898 598 HG22 VAL 75 1HG2 VAL 75 -4.575 7.021 8.366 599 HG23 VAL 75 2HG2 VAL 75 -5.606 8.427 8.628 600 H MET 76 HN MET 76 -1.117 7.628 8.926 601 HA MET 76 HA MET 76 -0.889 6.769 6.163 602 HB2 MET 76 2HB MET 76 1.155 7.097 7.479 603 HB3 MET 76 1HB MET 76 0.609 5.901 8.645 604 HG2 MET 76 2HG MET 76 0.705 4.174 6.918 605 HG3 MET 76 1HG MET 76 1.266 5.374 5.757 606 HE1 MET 76 3HE MET 76 2.106 3.425 9.064 607 HE2 MET 76 1HE MET 76 2.269 5.109 9.563 608 HE3 MET 76 2HE MET 76 3.694 4.076 9.465 609 H LEU 77 HN LEU 77 -1.855 5.013 5.349 610 HA LEU 77 HA LEU 77 -3.587 3.474 7.107 611 HB2 LEU 77 2HB LEU 77 -3.242 3.335 4.113 612 HB3 LEU 77 1HB LEU 77 -4.512 2.557 5.040 613 HG LEU 77 HG LEU 77 -4.123 5.533 4.719 614 HD11 LEU 77 1HD1 LEU 77 -4.951 4.423 2.710 615 HD12 LEU 77 2HD1 LEU 77 -6.201 5.418 3.455 616 HD13 LEU 77 3HD1 LEU 77 -6.235 3.667 3.653 617 HD21 LEU 77 3HD2 LEU 77 -5.015 4.949 6.923 618 HD22 LEU 77 1HD2 LEU 77 -6.283 3.994 6.153 619 HD23 LEU 77 2HD2 LEU 77 -6.229 5.742 5.919 620 H GLY 78 HN GLY 78 -0.619 3.125 5.406 621 HA2 GLY 78 2HA GLY 78 0.495 1.038 6.612 622 HA3 GLY 78 1HA GLY 78 -0.644 0.226 5.543 623 H ASN 79 HN ASN 79 0.773 -0.706 4.148 624 HA ASN 79 HA ASN 79 2.068 1.069 2.269 625 HB2 ASN 79 2HB ASN 79 4.272 0.031 2.458 626 HB3 ASN 79 1HB ASN 79 3.816 0.783 3.975 627 HD21 ASN 79 1HD2 ASN 79 3.305 -0.521 5.743 628 HD22 ASN 79 2HD2 ASN 79 3.740 -2.190 5.809 629 H PHE 80 HN PHE 80 3.242 -0.339 0.573 630 HA PHE 80 HA PHE 80 1.785 -2.850 0.187 631 HB2 PHE 80 2HB PHE 80 1.412 -2.340 -2.181 632 HB3 PHE 80 1HB PHE 80 0.613 -1.159 -1.151 633 HD1 PHE 80 2HD PHE 80 1.548 1.129 -0.955 634 HD2 PHE 80 1HD PHE 80 3.109 -1.711 -3.716 635 HE1 PHE 80 2HE PHE 80 2.645 2.945 -2.199 636 HE2 PHE 80 1HE PHE 80 4.211 0.102 -4.962 637 HZ PHE 80 HZ PHE 80 3.978 2.434 -4.205 638 H HIS 81 HN HIS 81 2.934 -4.472 -0.737 639 HA HIS 81 HA HIS 81 5.513 -3.836 -1.921 640 HB2 HIS 81 2HB HIS 81 6.726 -5.521 -0.620 641 HB3 HIS 81 1HB HIS 81 6.092 -4.255 0.418 642 HD1 HIS 81 1HD HIS 81 4.175 -4.934 2.070 643 HD2 HIS 81 2HD HIS 81 5.802 -8.089 -0.093 644 HE1 HIS 81 1HE HIS 81 3.430 -7.022 3.252 645 HE2 HIS 81 2HE HIS 81 4.663 -8.888 2.097 646 H SER 82 HN SER 82 6.120 -5.214 -3.514 647 HA SER 82 HA SER 82 4.063 -7.194 -4.240 648 HB2 SER 82 2HB SER 82 5.872 -5.662 -6.121 649 HB3 SER 82 1HB SER 82 4.470 -6.645 -6.547 650 HG SER 82 HG SER 82 3.967 -4.631 -4.736 651 H HIS 83 HN HIS 83 4.754 -9.101 -5.349 652 HA HIS 83 HA HIS 83 7.563 -9.809 -4.816 653 HB2 HIS 83 2HB HIS 83 5.155 -11.563 -5.372 654 HB3 HIS 83 1HB HIS 83 6.797 -12.166 -5.206 655 HD1 HIS 83 1HD HIS 83 4.277 -12.861 -3.347 656 HD2 HIS 83 2HD HIS 83 7.414 -10.277 -2.429 657 HE1 HIS 83 1HE HIS 83 4.388 -12.789 -0.834 658 HE2 HIS 83 2HE HIS 83 6.235 -11.160 -0.287 659 HA PRO 84 HA PRO 84 8.236 -9.457 -9.159 660 HB2 PRO 84 2HB PRO 84 10.647 -11.037 -8.976 661 HB3 PRO 84 1HB PRO 84 10.484 -9.288 -9.113 662 HG2 PRO 84 2HG PRO 84 11.411 -10.565 -6.874 663 HG3 PRO 84 1HG PRO 84 10.636 -8.970 -6.857 664 HD2 PRO 84 2HD PRO 84 9.484 -11.648 -6.182 665 HD3 PRO 84 1HD PRO 84 9.227 -10.075 -5.397 666 H ALA 85 HN ALA 85 8.939 -12.705 -7.879 667 HA ALA 85 HA ALA 85 7.653 -13.847 -10.259 668 HB1 ALA 85 1HB ALA 85 10.059 -13.914 -10.653 669 HB2 ALA 85 2HB ALA 85 9.421 -15.542 -10.418 670 HB3 ALA 85 3HB ALA 85 10.300 -14.744 -9.115 671 H THR 86 HN THR 86 6.596 -13.476 -7.652 672 HA THR 86 HA THR 86 6.175 -16.264 -6.868 673 HB THR 86 HB THR 86 6.133 -14.860 -4.451 674 HG1 THR 86 1HG THR 86 8.721 -14.425 -5.354 675 HG21 THR 86 3HG2 THR 86 8.282 -16.645 -5.591 676 HG22 THR 86 1HG2 THR 86 6.809 -17.187 -4.786 677 HG23 THR 86 2HG2 THR 86 8.029 -16.291 -3.882 678 HA PRO 87 HA PRO 87 1.897 -15.390 -6.733 679 HB2 PRO 87 2HB PRO 87 1.816 -16.651 -4.041 680 HB3 PRO 87 1HB PRO 87 0.896 -17.043 -5.498 681 HG2 PRO 87 2HG PRO 87 2.895 -18.603 -4.725 682 HG3 PRO 87 1HG PRO 87 2.653 -18.238 -6.445 683 HD2 PRO 87 2HD PRO 87 4.647 -17.098 -4.525 684 HD3 PRO 87 1HD PRO 87 4.859 -17.558 -6.226 685 H ALA 88 HN ALA 88 0.150 -14.373 -5.535 686 HA ALA 88 HA ALA 88 1.120 -11.995 -4.191 687 HB1 ALA 88 1HB ALA 88 -0.547 -11.819 -5.976 688 HB2 ALA 88 2HB ALA 88 -1.164 -11.176 -4.453 689 HB3 ALA 88 3HB ALA 88 -1.679 -12.768 -5.011 690 H ARG 89 HN ARG 89 1.178 -14.596 -2.749 691 HA ARG 89 HA ARG 89 -0.548 -13.832 -0.484 692 HB2 ARG 89 2HB ARG 89 -0.749 -16.194 -1.426 693 HB3 ARG 89 1HB ARG 89 0.889 -16.473 -0.850 694 HG2 ARG 89 2HG ARG 89 -0.031 -15.711 1.439 695 HG3 ARG 89 1HG ARG 89 -1.611 -16.019 0.723 696 HD2 ARG 89 2HD ARG 89 0.640 -17.992 1.078 697 HD3 ARG 89 1HD ARG 89 -0.898 -17.971 1.938 698 HE ARG 89 HE ARG 89 -0.830 -18.361 -0.979 699 HH11 ARG 89 1HH1 ARG 89 -1.712 -19.478 2.236 700 HH12 ARG 89 2HH1 ARG 89 -2.534 -20.896 1.642 701 HH21 ARG 89 1HH2 ARG 89 -1.924 -20.218 -1.735 702 HH22 ARG 89 2HH2 ARG 89 -2.657 -21.307 -0.598 703 HA PRO 90 HA PRO 90 3.246 -12.753 1.660 704 HB2 PRO 90 2HB PRO 90 1.684 -13.119 4.128 705 HB3 PRO 90 1HB PRO 90 2.467 -11.663 3.504 706 HG2 PRO 90 2HG PRO 90 -0.202 -11.920 3.522 707 HG3 PRO 90 1HG PRO 90 0.642 -11.075 2.213 708 HD2 PRO 90 2HD PRO 90 -0.442 -13.874 2.268 709 HD3 PRO 90 1HD PRO 90 -0.558 -12.651 0.982 710 H SER 91 HN SER 91 4.692 -14.358 1.632 711 HA SER 91 HA SER 91 4.238 -16.997 2.537 712 HB2 SER 91 2HB SER 91 6.901 -15.602 2.182 713 HB3 SER 91 1HB SER 91 6.588 -17.338 2.106 714 HG SER 91 HG SER 91 5.534 -17.074 0.196 715 H ALA 92 HN ALA 92 5.858 -17.968 4.238 716 HA ALA 92 HA ALA 92 5.188 -16.940 6.761 717 HB1 ALA 92 1HB ALA 92 7.482 -18.773 6.062 718 HB2 ALA 92 2HB ALA 92 5.824 -19.280 6.381 719 HB3 ALA 92 3HB ALA 92 6.781 -18.543 7.664 720 H GLU 93 HN GLU 93 8.068 -16.587 4.774 721 HA GLU 93 HA GLU 93 9.625 -15.136 6.644 722 HB2 GLU 93 2HB GLU 93 9.774 -15.081 3.617 723 HB3 GLU 93 1HB GLU 93 11.032 -14.561 4.726 724 HG2 GLU 93 2HG GLU 93 11.726 -16.658 3.983 725 HG3 GLU 93 1HG GLU 93 11.056 -16.951 5.585 726 H ASP 94 HN ASP 94 7.313 -14.236 4.181 727 HA ASP 94 HA ASP 94 7.727 -11.427 4.233 728 HB2 ASP 94 2HB ASP 94 6.479 -12.931 2.497 729 HB3 ASP 94 1HB ASP 94 5.095 -12.738 3.562 730 H LYS 95 HN LYS 95 5.583 -13.647 5.931 731 HA LYS 95 HA LYS 95 4.183 -11.671 7.432 732 HB2 LYS 95 2HB LYS 95 3.328 -13.965 6.964 733 HB3 LYS 95 1HB LYS 95 4.554 -14.610 8.045 734 HG2 LYS 95 2HG LYS 95 2.362 -14.471 9.120 735 HG3 LYS 95 1HG LYS 95 3.549 -13.444 9.924 736 HD2 LYS 95 2HD LYS 95 2.649 -11.480 8.886 737 HD3 LYS 95 1HD LYS 95 1.589 -12.449 7.863 738 HE2 LYS 95 2HE LYS 95 0.382 -11.426 9.744 739 HE3 LYS 95 1HE LYS 95 0.333 -13.186 9.793 740 HZ1 LYS 95 3HZ LYS 95 2.302 -11.613 11.350 741 HZ2 LYS 95 1HZ LYS 95 1.876 -13.242 11.544 742 HZ3 LYS 95 2HZ LYS 95 0.777 -12.017 11.964 743 H ARG 96 HN ARG 96 7.159 -13.469 7.924 744 HA ARG 96 HA ARG 96 7.608 -12.952 10.637 745 HB2 ARG 96 2HB ARG 96 9.542 -13.217 8.331 746 HB3 ARG 96 1HB ARG 96 10.070 -13.032 9.994 747 HG2 ARG 96 2HG ARG 96 8.316 -15.273 9.020 748 HG3 ARG 96 1HG ARG 96 10.071 -15.370 9.170 749 HD2 ARG 96 2HD ARG 96 9.827 -14.810 11.584 750 HD3 ARG 96 1HD ARG 96 8.077 -14.906 11.383 751 HE ARG 96 HE ARG 96 8.813 -17.302 10.474 752 HH11 ARG 96 1HH1 ARG 96 9.876 -15.563 13.331 753 HH12 ARG 96 2HH1 ARG 96 10.173 -17.003 14.253 754 HH21 ARG 96 1HH2 ARG 96 9.209 -19.197 11.691 755 HH22 ARG 96 2HH2 ARG 96 9.795 -19.067 13.326 756 H LEU 97 HN LEU 97 7.976 -10.917 7.818 757 HA LEU 97 HA LEU 97 9.363 -8.853 9.327 758 HB2 LEU 97 2HB LEU 97 8.567 -8.992 6.418 759 HB3 LEU 97 1HB LEU 97 9.544 -7.735 7.144 760 HG LEU 97 HG LEU 97 10.308 -10.642 6.897 761 HD11 LEU 97 1HD1 LEU 97 11.316 -8.184 5.469 762 HD12 LEU 97 2HD1 LEU 97 10.365 -9.494 4.766 763 HD13 LEU 97 3HD1 LEU 97 12.005 -9.801 5.335 764 HD21 LEU 97 3HD2 LEU 97 12.511 -9.903 7.715 765 HD22 LEU 97 1HD2 LEU 97 11.243 -9.683 8.920 766 HD23 LEU 97 2HD2 LEU 97 11.846 -8.296 8.014 767 H ALA 98 HN ALA 98 6.379 -9.648 9.519 768 HA ALA 98 HA ALA 98 5.113 -7.130 8.802 769 HB1 ALA 98 1HB ALA 98 3.026 -8.227 9.447 770 HB2 ALA 98 2HB ALA 98 3.933 -9.640 9.986 771 HB3 ALA 98 3HB ALA 98 3.926 -9.195 8.280 772 H PHE 99 HN PHE 99 5.682 -5.596 10.204 773 HA PHE 99 HA PHE 99 5.332 -6.140 13.083 774 HB2 PHE 99 2HB PHE 99 7.088 -4.066 11.753 775 HB3 PHE 99 1HB PHE 99 6.914 -4.295 13.488 776 HD1 PHE 99 2HD PHE 99 7.677 -6.475 14.494 777 HD2 PHE 99 1HD PHE 99 8.640 -5.309 10.516 778 HE1 PHE 99 2HE PHE 99 9.523 -8.101 14.467 779 HE2 PHE 99 1HE PHE 99 10.484 -6.936 10.479 780 HZ PHE 99 HZ PHE 99 10.926 -8.334 12.456 781 H ASP 100 HN ASP 100 3.486 -5.135 10.841 782 HA ASP 100 HA ASP 100 2.672 -2.607 12.091 783 HB2 ASP 100 2HB ASP 100 1.472 -2.151 9.972 784 HB3 ASP 100 1HB ASP 100 3.207 -2.327 9.759 785 HA PRO 101 HA PRO 101 -0.387 -5.646 13.559 786 HB2 PRO 101 2HB PRO 101 -0.759 -3.831 15.804 787 HB3 PRO 101 1HB PRO 101 -0.141 -5.484 15.798 788 HG2 PRO 101 2HG PRO 101 1.417 -3.328 16.327 789 HG3 PRO 101 1HG PRO 101 2.037 -4.804 15.570 790 HD2 PRO 101 2HD PRO 101 1.293 -2.198 14.302 791 HD3 PRO 101 1HD PRO 101 2.672 -3.266 13.961 792 H SER 102 HN SER 102 -0.749 -2.297 12.835 793 HA SER 102 HA SER 102 -3.675 -2.605 12.951 794 HB2 SER 102 2HB SER 102 -2.131 -0.086 13.611 795 HB3 SER 102 1HB SER 102 -3.884 -0.290 13.680 796 HG SER 102 HG SER 102 -3.247 -2.139 15.178 797 H LEU 103 HN LEU 103 -1.304 -2.495 10.840 798 HA LEU 103 HA LEU 103 -2.538 -0.484 9.090 799 HB2 LEU 103 2HB LEU 103 0.152 -1.828 8.852 800 HB3 LEU 103 1HB LEU 103 -0.476 -0.610 7.763 801 HG LEU 103 HG LEU 103 0.229 -0.205 10.670 802 HD11 LEU 103 1HD1 LEU 103 1.964 1.276 9.774 803 HD12 LEU 103 2HD1 LEU 103 1.499 0.820 8.135 804 HD13 LEU 103 3HD1 LEU 103 2.176 -0.386 9.229 805 HD21 LEU 103 3HD2 LEU 103 -0.832 1.762 8.646 806 HD22 LEU 103 1HD2 LEU 103 -0.267 2.154 10.270 807 HD23 LEU 103 2HD2 LEU 103 -1.701 1.150 10.052 808 H SER 104 HN SER 104 -1.620 -1.480 6.649 809 HA SER 104 HA SER 104 -2.842 -4.129 6.435 810 HB2 SER 104 2HB SER 104 -3.509 -1.801 4.615 811 HB3 SER 104 1HB SER 104 -4.154 -3.439 4.495 812 HG SER 104 HG SER 104 -4.725 -2.842 6.888 813 H TYR 105 HN TYR 105 -1.556 -5.451 5.354 814 HA TYR 105 HA TYR 105 0.610 -4.370 3.751 815 HB2 TYR 105 2HB TYR 105 0.038 -6.945 5.070 816 HB3 TYR 105 1HB TYR 105 0.841 -7.077 3.511 817 HD1 TYR 105 1HD TYR 105 2.185 -4.181 4.175 818 HD2 TYR 105 2HD TYR 105 2.100 -8.023 6.001 819 HE1 TYR 105 1HE TYR 105 4.370 -3.737 5.212 820 HE2 TYR 105 2HE TYR 105 4.277 -7.580 7.049 821 HH TYR 105 HH TYR 105 6.190 -6.192 6.808 822 H LEU 106 HN LEU 106 -0.321 -3.610 1.880 823 HA LEU 106 HA LEU 106 -2.027 -5.295 0.303 824 HB2 LEU 106 2HB LEU 106 -0.647 -2.683 -0.237 825 HB3 LEU 106 1HB LEU 106 -1.441 -3.568 -1.525 826 HG LEU 106 HG LEU 106 -3.542 -3.493 -0.087 827 HD11 LEU 106 1HD1 LEU 106 -3.680 -1.701 1.557 828 HD12 LEU 106 2HD1 LEU 106 -1.962 -1.367 1.346 829 HD13 LEU 106 3HD1 LEU 106 -2.482 -2.907 2.028 830 HD21 LEU 106 3HD2 LEU 106 -2.386 -0.926 -1.157 831 HD22 LEU 106 1HD2 LEU 106 -4.092 -1.222 -0.827 832 HD23 LEU 106 2HD2 LEU 106 -3.264 -2.145 -2.080 833 H ILE 107 HN ILE 107 -1.483 -6.742 -1.170 834 HA ILE 107 HA ILE 107 1.395 -7.098 -1.681 835 HB ILE 107 HB ILE 107 0.562 -8.788 -0.121 836 HG12 ILE 107 2HG1 ILE 107 1.112 -10.848 -1.521 837 HG13 ILE 107 1HG1 ILE 107 1.256 -9.752 -2.892 838 HG21 ILE 107 1HG2 ILE 107 -1.107 -10.438 -0.818 839 HG22 ILE 107 2HG2 ILE 107 -1.373 -9.526 -2.303 840 HG23 ILE 107 3HG2 ILE 107 -1.771 -8.806 -0.744 841 HD11 ILE 107 3HD1 ILE 107 3.011 -8.524 -1.698 842 HD12 ILE 107 1HD1 ILE 107 3.425 -10.219 -1.953 843 HD13 ILE 107 2HD1 ILE 107 2.884 -9.673 -0.365 844 H ILE 108 HN ILE 108 1.995 -7.277 -3.734 845 HA ILE 108 HA ILE 108 -0.081 -7.758 -5.765 846 HB ILE 108 HB ILE 108 2.249 -5.842 -6.024 847 HG12 ILE 108 2HG1 ILE 108 -0.716 -5.274 -5.804 848 HG13 ILE 108 1HG1 ILE 108 0.465 -5.009 -4.528 849 HG21 ILE 108 1HG2 ILE 108 1.694 -6.898 -8.143 850 HG22 ILE 108 2HG2 ILE 108 1.210 -5.202 -8.155 851 HG23 ILE 108 3HG2 ILE 108 -0.002 -6.461 -7.933 852 HD11 ILE 108 3HD1 ILE 108 -0.106 -2.935 -5.651 853 HD12 ILE 108 1HD1 ILE 108 0.414 -3.613 -7.194 854 HD13 ILE 108 2HD1 ILE 108 1.590 -3.344 -5.908 855 H SER 109 HN SER 109 0.381 -9.317 -7.192 856 HA SER 109 HA SER 109 3.125 -10.381 -7.234 857 HB2 SER 109 2HB SER 109 1.371 -12.007 -6.589 858 HB3 SER 109 1HB SER 109 0.547 -11.710 -8.119 859 HG SER 109 HG SER 109 3.035 -12.974 -7.657 860 H LEU 110 HN LEU 110 4.214 -9.387 -8.807 861 HA LEU 110 HA LEU 110 2.857 -8.919 -11.370 862 HB2 LEU 110 2HB LEU 110 4.327 -7.188 -9.881 863 HB3 LEU 110 1HB LEU 110 5.572 -7.840 -10.928 864 HG LEU 110 HG LEU 110 3.048 -6.438 -11.821 865 HD11 LEU 110 1HD1 LEU 110 4.731 -4.957 -10.860 866 HD12 LEU 110 2HD1 LEU 110 4.557 -4.701 -12.595 867 HD13 LEU 110 3HD1 LEU 110 5.937 -5.606 -11.971 868 HD21 LEU 110 3HD2 LEU 110 3.655 -8.169 -13.418 869 HD22 LEU 110 1HD2 LEU 110 5.310 -7.563 -13.467 870 HD23 LEU 110 2HD2 LEU 110 3.990 -6.568 -14.079 871 H ALA 111 HN ALA 111 3.362 -11.499 -10.999 872 HA ALA 111 HA ALA 111 5.868 -12.483 -11.768 873 HB1 ALA 111 1HB ALA 111 3.142 -13.676 -12.292 874 HB2 ALA 111 2HB ALA 111 4.118 -13.915 -10.841 875 HB3 ALA 111 3HB ALA 111 4.678 -14.531 -12.396 876 H GLU 112 HN GLU 112 3.152 -11.274 -13.615 877 HA GLU 112 HA GLU 112 4.885 -10.720 -15.852 878 HB2 GLU 112 2HB GLU 112 4.027 -13.064 -16.245 879 HB3 GLU 112 1HB GLU 112 2.400 -12.404 -16.279 880 HG2 GLU 112 2HG GLU 112 2.943 -11.078 -18.225 881 HG3 GLU 112 1HG GLU 112 4.613 -11.638 -18.169 882 HA PRO 113 HA PRO 113 2.364 -7.111 -15.701 883 HB2 PRO 113 2HB PRO 113 2.637 -6.190 -18.262 884 HB3 PRO 113 1HB PRO 113 3.877 -6.037 -17.015 885 HG2 PRO 113 2HG PRO 113 3.635 -8.062 -19.202 886 HG3 PRO 113 1HG PRO 113 5.072 -7.189 -18.638 887 HD2 PRO 113 2HD PRO 113 4.597 -9.728 -17.904 888 HD3 PRO 113 1HD PRO 113 5.341 -8.562 -16.791 889 H GLN 114 HN GLN 114 1.502 -9.722 -17.661 890 HA GLN 114 HA GLN 114 -0.866 -8.497 -18.768 891 HB2 GLN 114 2HB GLN 114 -0.085 -11.412 -18.726 892 HB3 GLN 114 1HB GLN 114 -1.354 -10.685 -19.699 893 HG2 GLN 114 2HG GLN 114 0.497 -9.250 -20.714 894 HG3 GLN 114 1HG GLN 114 1.612 -10.399 -19.977 895 HE21 GLN 114 1HE2 GLN 114 1.558 -12.582 -20.670 896 HE22 GLN 114 2HE2 GLN 114 0.917 -12.995 -22.229 897 H LYS 115 HN LYS 115 0.027 -10.238 -15.931 898 HA LYS 115 HA LYS 115 -2.703 -10.024 -14.949 899 HB2 LYS 115 2HB LYS 115 -1.294 -12.587 -15.436 900 HB3 LYS 115 1HB LYS 115 -2.177 -12.449 -13.922 901 HG2 LYS 115 2HG LYS 115 -3.351 -11.998 -16.662 902 HG3 LYS 115 1HG LYS 115 -3.511 -13.476 -15.709 903 HD2 LYS 115 2HD LYS 115 -4.576 -12.128 -13.908 904 HD3 LYS 115 1HD LYS 115 -4.530 -10.730 -14.983 905 HE2 LYS 115 2HE LYS 115 -5.932 -11.911 -16.591 906 HE3 LYS 115 1HE LYS 115 -5.961 -13.326 -15.539 907 HZ1 LYS 115 3HZ LYS 115 -7.015 -11.901 -13.826 908 HZ2 LYS 115 1HZ LYS 115 -7.963 -12.101 -15.220 909 HZ3 LYS 115 2HZ LYS 115 -7.118 -10.653 -14.974 910 HA PRO 116 HA PRO 116 0.242 -9.065 -11.563 911 HB2 PRO 116 2HB PRO 116 -0.822 -6.425 -11.389 912 HB3 PRO 116 1HB PRO 116 0.782 -6.907 -11.937 913 HG2 PRO 116 2HG PRO 116 -1.172 -5.772 -13.545 914 HG3 PRO 116 1HG PRO 116 0.220 -6.698 -14.130 915 HD2 PRO 116 2HD PRO 116 -2.613 -7.575 -13.732 916 HD3 PRO 116 1HD PRO 116 -1.462 -8.011 -15.015 917 H VAL 117 HN VAL 117 -0.772 -10.204 -10.000 918 HA VAL 117 HA VAL 117 -3.556 -9.721 -9.385 919 HB VAL 117 HB VAL 117 -1.602 -11.537 -7.960 920 HG11 VAL 117 1HG1 VAL 117 -4.621 -11.508 -7.967 921 HG12 VAL 117 2HG1 VAL 117 -3.588 -10.992 -6.631 922 HG13 VAL 117 3HG1 VAL 117 -3.596 -12.680 -7.139 923 HG21 VAL 117 3HG2 VAL 117 -1.779 -12.161 -10.302 924 HG22 VAL 117 1HG2 VAL 117 -3.538 -12.142 -10.193 925 HG23 VAL 117 2HG2 VAL 117 -2.613 -13.344 -9.293 926 H CYS 118 HN CYS 118 -4.266 -8.299 -7.963 927 HA CYS 118 HA CYS 118 -2.405 -7.319 -5.906 928 HB2 CYS 118 2HB CYS 118 -4.777 -5.866 -7.096 929 HB3 CYS 118 1HB CYS 118 -3.603 -5.211 -5.958 930 HG CYS 118 HG CYS 118 -2.662 -6.296 -9.060 931 H LYS 119 HN LYS 119 -2.918 -7.771 -3.859 932 HA LYS 119 HA LYS 119 -5.750 -8.119 -3.159 933 HB2 LYS 119 2HB LYS 119 -3.490 -9.956 -2.373 934 HB3 LYS 119 1HB LYS 119 -5.053 -9.953 -1.582 935 HG2 LYS 119 2HG LYS 119 -4.676 -10.482 -4.519 936 HG3 LYS 119 1HG LYS 119 -4.747 -11.743 -3.286 937 HD2 LYS 119 2HD LYS 119 -6.989 -10.847 -2.621 938 HD3 LYS 119 1HD LYS 119 -6.910 -9.769 -4.014 939 HE2 LYS 119 2HE LYS 119 -6.775 -11.675 -5.513 940 HE3 LYS 119 1HE LYS 119 -6.766 -12.779 -4.139 941 HZ1 LYS 119 3HZ LYS 119 -8.994 -10.978 -4.938 942 HZ2 LYS 119 1HZ LYS 119 -8.988 -11.961 -3.550 943 HZ3 LYS 119 2HZ LYS 119 -8.958 -12.668 -5.093 944 H SER 120 HN SER 120 -6.078 -8.042 -0.795 945 HA SER 120 HA SER 120 -4.114 -6.321 0.548 946 HB2 SER 120 2HB SER 120 -6.143 -5.034 -0.160 947 HB3 SER 120 1HB SER 120 -7.126 -6.121 0.813 948 HG SER 120 HG SER 120 -6.699 -4.824 2.393 949 H PHE 121 HN PHE 121 -3.478 -7.074 2.483 950 HA PHE 121 HA PHE 121 -5.206 -9.055 3.780 951 HB2 PHE 121 2HB PHE 121 -2.233 -9.196 3.364 952 HB3 PHE 121 1HB PHE 121 -3.043 -10.129 4.614 953 HD1 PHE 121 2HD PHE 121 -4.765 -11.803 3.965 954 HD2 PHE 121 1HD PHE 121 -2.268 -9.886 1.106 955 HE1 PHE 121 2HE PHE 121 -5.305 -13.557 2.329 956 HE2 PHE 121 1HE PHE 121 -2.804 -11.635 -0.539 957 HZ PHE 121 HZ PHE 121 -4.324 -13.474 0.072 958 H LEU 122 HN LEU 122 -5.656 -8.711 5.795 959 HA LEU 122 HA LEU 122 -4.446 -6.472 7.203 960 HB2 LEU 122 2HB LEU 122 -6.642 -8.362 8.076 961 HB3 LEU 122 1HB LEU 122 -6.192 -6.858 8.860 962 HG LEU 122 HG LEU 122 -7.364 -7.079 6.083 963 HD11 LEU 122 1HD1 LEU 122 -8.631 -6.227 8.684 964 HD12 LEU 122 2HD1 LEU 122 -8.991 -7.695 7.774 965 HD13 LEU 122 3HD1 LEU 122 -9.379 -6.117 7.090 966 HD21 LEU 122 3HD2 LEU 122 -7.583 -4.655 6.222 967 HD22 LEU 122 1HD2 LEU 122 -5.894 -5.144 6.368 968 HD23 LEU 122 2HD2 LEU 122 -6.799 -4.664 7.803 969 H ILE 123 HN ILE 123 -2.751 -6.770 8.486 970 HA ILE 123 HA ILE 123 -1.861 -9.480 8.973 971 HB ILE 123 HB ILE 123 -0.518 -6.838 9.560 972 HG12 ILE 123 2HG1 ILE 123 -0.785 -7.237 7.173 973 HG13 ILE 123 1HG1 ILE 123 0.906 -7.433 7.625 974 HG21 ILE 123 1HG2 ILE 123 0.260 -8.590 11.070 975 HG22 ILE 123 2HG2 ILE 123 1.514 -8.149 9.912 976 HG23 ILE 123 3HG2 ILE 123 0.595 -9.637 9.691 977 HD11 ILE 123 3HD1 ILE 123 0.621 -9.862 7.605 978 HD12 ILE 123 1HD1 ILE 123 0.217 -9.138 6.047 979 HD13 ILE 123 2HD1 ILE 123 -1.068 -9.655 7.140 980 H LYS 124 HN LYS 124 -2.542 -10.509 10.700 981 HA LYS 124 HA LYS 124 -2.903 -8.998 13.183 982 HB2 LYS 124 2HB LYS 124 -3.854 -11.781 12.472 983 HB3 LYS 124 1HB LYS 124 -4.172 -10.945 13.986 984 HG2 LYS 124 2HG LYS 124 -5.392 -9.204 12.699 985 HG3 LYS 124 1HG LYS 124 -5.163 -10.180 11.247 986 HD2 LYS 124 2HD LYS 124 -6.376 -12.027 12.311 987 HD3 LYS 124 1HD LYS 124 -6.621 -11.035 13.749 988 HE2 LYS 124 2HE LYS 124 -7.675 -10.475 10.977 989 HE3 LYS 124 1HE LYS 124 -8.613 -11.021 12.366 990 HZ1 LYS 124 3HZ LYS 124 -8.939 -8.703 12.176 991 HZ2 LYS 124 1HZ LYS 124 -7.279 -8.396 12.001 992 HZ3 LYS 124 2HZ LYS 124 -7.887 -8.916 13.491 993 H LYS 125 HN LYS 125 -2.327 -10.364 15.164 994 HA LYS 125 HA LYS 125 0.440 -10.816 15.182 995 HB2 LYS 125 2HB LYS 125 -0.959 -10.242 17.155 996 HB3 LYS 125 1HB LYS 125 -1.647 -11.854 17.108 997 HG2 LYS 125 2HG LYS 125 0.598 -12.792 17.485 998 HG3 LYS 125 1HG LYS 125 1.228 -11.150 17.637 999 HD2 LYS 125 2HD LYS 125 -0.914 -12.367 19.377 1000 HD3 LYS 125 1HD LYS 125 0.782 -12.184 19.825 1001 HE2 LYS 125 2HE LYS 125 0.586 -9.765 19.632 1002 HE3 LYS 125 1HE LYS 125 -1.097 -9.928 19.130 1003 HZ1 LYS 125 3HZ LYS 125 -0.020 -10.814 21.753 1004 HZ2 LYS 125 1HZ LYS 125 -1.648 -10.840 21.271 1005 HZ3 LYS 125 2HZ LYS 125 -0.852 -9.360 21.493 1006 H ASP 126 HN ASP 126 -2.201 -13.125 15.520 1007 HA ASP 126 HA ASP 126 -0.404 -15.364 15.336 1008 HB2 ASP 126 2HB ASP 126 -3.423 -15.370 15.470 1009 HB3 ASP 126 1HB ASP 126 -2.349 -16.728 15.798 1010 H GLY 127 HN GLY 127 -2.818 -13.865 13.215 1011 HA2 GLY 127 2HA GLY 127 -1.922 -15.665 11.080 1012 HA3 GLY 127 1HA GLY 127 -3.633 -15.638 11.469 1013 H VAL 128 HN VAL 128 -3.753 -15.041 9.158 1014 HA VAL 128 HA VAL 128 -3.516 -12.120 8.869 1015 HB VAL 128 HB VAL 128 -1.768 -13.298 7.550 1016 HG11 VAL 128 1HG1 VAL 128 -4.107 -14.476 6.065 1017 HG12 VAL 128 2HG1 VAL 128 -2.904 -15.351 7.013 1018 HG13 VAL 128 3HG1 VAL 128 -2.430 -14.535 5.524 1019 HG21 VAL 128 3HG2 VAL 128 -2.186 -12.119 5.448 1020 HG22 VAL 128 1HG2 VAL 128 -2.572 -11.124 6.851 1021 HG23 VAL 128 2HG2 VAL 128 -3.867 -11.881 5.924 1022 H ASP 129 HN ASP 129 -5.229 -11.093 7.836 1023 HA ASP 129 HA ASP 129 -7.554 -12.811 7.225 1024 HB2 ASP 129 2HB ASP 129 -7.715 -11.360 9.291 1025 HB3 ASP 129 1HB ASP 129 -7.654 -9.959 8.230 1026 H GLU 130 HN GLU 130 -8.431 -12.600 5.219 1027 HA GLU 130 HA GLU 130 -7.040 -10.902 3.368 1028 HB2 GLU 130 2HB GLU 130 -8.408 -12.028 1.661 1029 HB3 GLU 130 1HB GLU 130 -7.548 -13.157 2.685 1030 HG2 GLU 130 2HG GLU 130 -9.592 -13.598 3.927 1031 HG3 GLU 130 1HG GLU 130 -10.461 -12.437 2.924 1032 H GLU 131 HN GLU 131 -7.655 -8.998 2.629 1033 HA GLU 131 HA GLU 131 -10.301 -8.018 3.439 1034 HB2 GLU 131 2HB GLU 131 -8.353 -6.788 4.330 1035 HB3 GLU 131 1HB GLU 131 -7.819 -6.461 2.691 1036 HG2 GLU 131 2HG GLU 131 -8.936 -4.534 3.690 1037 HG3 GLU 131 1HG GLU 131 -9.792 -5.129 2.271 1038 H GLU 132 HN GLU 132 -11.619 -6.964 1.987 1039 HA GLU 132 HA GLU 132 -11.162 -7.658 -0.809 1040 HB2 GLU 132 2HB GLU 132 -13.352 -8.160 0.221 1041 HB3 GLU 132 1HB GLU 132 -13.592 -6.445 0.525 1042 HG2 GLU 132 2HG GLU 132 -13.507 -6.036 -1.905 1043 HG3 GLU 132 1HG GLU 132 -13.367 -7.774 -2.165 1044 H ILE 133 HN ILE 133 -10.672 -6.222 -2.360 1045 HA ILE 133 HA ILE 133 -10.169 -3.475 -1.530 1046 HB ILE 133 HB ILE 133 -9.474 -4.820 -4.147 1047 HG12 ILE 133 2HG1 ILE 133 -7.737 -4.348 -1.713 1048 HG13 ILE 133 1HG1 ILE 133 -8.370 -5.909 -2.222 1049 HG21 ILE 133 1HG2 ILE 133 -7.900 -2.960 -4.410 1050 HG22 ILE 133 2HG2 ILE 133 -8.497 -2.246 -2.912 1051 HG23 ILE 133 3HG2 ILE 133 -9.567 -2.394 -4.309 1052 HD11 ILE 133 3HD1 ILE 133 -6.454 -4.195 -3.788 1053 HD12 ILE 133 1HD1 ILE 133 -7.065 -5.777 -4.271 1054 HD13 ILE 133 2HD1 ILE 133 -6.034 -5.628 -2.848 1055 H ILE 134 HN ILE 134 -11.506 -1.884 -1.985 1056 HA ILE 134 HA ILE 134 -13.617 -2.330 -3.977 1057 HB ILE 134 HB ILE 134 -13.417 -0.096 -1.949 1058 HG12 ILE 134 2HG1 ILE 134 -13.572 -2.270 -0.794 1059 HG13 ILE 134 1HG1 ILE 134 -15.044 -1.327 -0.593 1060 HG21 ILE 134 1HG2 ILE 134 -15.731 -1.084 -3.610 1061 HG22 ILE 134 2HG2 ILE 134 -14.828 0.409 -3.864 1062 HG23 ILE 134 3HG2 ILE 134 -15.804 0.204 -2.408 1063 HD11 ILE 134 3HD1 ILE 134 -14.652 -3.636 -2.481 1064 HD12 ILE 134 1HD1 ILE 134 -16.122 -2.671 -2.334 1065 HD13 ILE 134 2HD1 ILE 134 -15.567 -3.647 -0.973 1066 H LEU 135 HN LEU 135 -13.167 -1.561 -5.942 1067 HA LEU 135 HA LEU 135 -11.187 0.548 -6.227 1068 HB2 LEU 135 2HB LEU 135 -12.559 -1.153 -8.309 1069 HB3 LEU 135 1HB LEU 135 -11.305 0.027 -8.639 1070 HG LEU 135 HG LEU 135 -11.020 -2.557 -7.109 1071 HD11 LEU 135 1HD1 LEU 135 -9.745 -1.553 -9.650 1072 HD12 LEU 135 2HD1 LEU 135 -11.010 -2.779 -9.537 1073 HD13 LEU 135 3HD1 LEU 135 -9.409 -3.093 -8.864 1074 HD21 LEU 135 3HD2 LEU 135 -8.675 -1.951 -6.809 1075 HD22 LEU 135 1HD2 LEU 135 -9.741 -0.813 -5.989 1076 HD23 LEU 135 2HD2 LEU 135 -8.988 -0.368 -7.520 1077 H LYS 136 HN LYS 136 -11.693 2.580 -6.537 1078 HA LYS 136 HA LYS 136 -14.371 3.235 -7.575 1079 HB2 LYS 136 2HB LYS 136 -12.789 4.344 -5.435 1080 HB3 LYS 136 1HB LYS 136 -13.114 5.582 -6.636 1081 HG2 LYS 136 2HG LYS 136 -14.806 5.625 -4.928 1082 HG3 LYS 136 1HG LYS 136 -15.517 5.106 -6.456 1083 HD2 LYS 136 2HD LYS 136 -15.392 2.771 -5.708 1084 HD3 LYS 136 1HD LYS 136 -14.694 3.300 -4.177 1085 HE2 LYS 136 2HE LYS 136 -16.735 4.590 -3.710 1086 HE3 LYS 136 1HE LYS 136 -17.429 4.028 -5.229 1087 HZ1 LYS 136 3HZ LYS 136 -17.276 1.747 -4.391 1088 HZ2 LYS 136 1HZ LYS 136 -18.250 2.719 -3.399 1089 HZ3 LYS 136 2HZ LYS 136 -16.675 2.326 -2.910 1090 H GLU 137 HN GLU 137 -14.527 4.960 -9.138 1091 HA GLU 137 HA GLU 137 -12.404 4.784 -11.084 1092 HB2 GLU 137 2HB GLU 137 -15.105 6.112 -11.061 1093 HB3 GLU 137 1HB GLU 137 -14.005 6.211 -12.419 1094 HG2 GLU 137 2HG GLU 137 -14.963 3.597 -11.299 1095 HG3 GLU 137 1HG GLU 137 -15.841 4.476 -12.547 1096 H GLU 138 HN GLU 138 -13.582 6.981 -8.766 1097 HA GLU 138 HA GLU 138 -11.404 8.827 -9.255 1098 HB2 GLU 138 2HB GLU 138 -13.216 9.624 -10.745 1099 HB3 GLU 138 1HB GLU 138 -14.297 9.721 -9.365 1100 HG2 GLU 138 2HG GLU 138 -12.984 11.480 -8.395 1101 HG3 GLU 138 1HG GLU 138 -11.771 11.326 -9.663 1102 H LEU 139 HN LEU 139 -11.486 10.618 -7.511 1103 HA LEU 139 HA LEU 139 -11.744 9.423 -4.939 1104 HB2 LEU 139 2HB LEU 139 -11.303 12.305 -5.733 1105 HB3 LEU 139 1HB LEU 139 -11.145 11.682 -4.104 1106 HG LEU 139 HG LEU 139 -9.433 10.867 -6.455 1107 HD11 LEU 139 1HD1 LEU 139 -8.970 13.146 -5.766 1108 HD12 LEU 139 2HD1 LEU 139 -7.654 12.080 -5.271 1109 HD13 LEU 139 3HD1 LEU 139 -8.835 12.631 -4.085 1110 HD21 LEU 139 3HD2 LEU 139 -9.257 10.146 -3.533 1111 HD22 LEU 139 1HD2 LEU 139 -8.062 9.735 -4.763 1112 HD23 LEU 139 2HD2 LEU 139 -9.689 9.059 -4.853 1113 H GLU 140 HN GLU 140 -12.847 11.306 -3.271 1114 HA GLU 140 HA GLU 140 -15.604 10.722 -3.720 1115 HB2 GLU 140 2HB GLU 140 -16.033 11.802 -1.559 1116 HB3 GLU 140 1HB GLU 140 -14.764 10.594 -1.456 1117 HG2 GLU 140 2HG GLU 140 -13.165 12.115 -0.950 1118 HG3 GLU 140 1HG GLU 140 -13.924 13.398 -1.895 1119 H HIS 141 HN HIS 141 -16.005 11.874 -5.656 1120 HA HIS 141 HA HIS 141 -16.315 14.737 -5.357 1121 HB2 HIS 141 2HB HIS 141 -17.415 14.656 -7.591 1122 HB3 HIS 141 1HB HIS 141 -15.789 13.996 -7.594 1123 HD1 HIS 141 1HD HIS 141 -19.011 13.355 -8.912 1124 HD2 HIS 141 2HD HIS 141 -15.966 10.967 -7.379 1125 HE1 HIS 141 1HE HIS 141 -19.423 11.045 -9.831 1126 HE2 HIS 141 2HE HIS 141 -17.630 9.596 -8.816 1127 H HIS 142 HN HIS 142 -17.890 15.552 -4.213 1128 HA HIS 142 HA HIS 142 -19.637 13.760 -2.883 1129 HB2 HIS 142 2HB HIS 142 -20.457 15.788 -1.688 1130 HB3 HIS 142 1HB HIS 142 -18.716 15.561 -1.633 1131 HD1 HIS 142 1HD HIS 142 -17.259 17.374 -2.629 1132 HD2 HIS 142 2HD HIS 142 -21.323 18.001 -3.264 1133 HE1 HIS 142 1HE HIS 142 -17.458 19.733 -3.485 1134 HE2 HIS 142 2HE HIS 142 -19.938 20.153 -3.654 1135 H HIS 143 HN HIS 143 -20.053 15.159 -5.838 1136 HA HIS 143 HA HIS 143 -21.788 15.048 -7.297 1137 HB2 HIS 143 2HB HIS 143 -23.114 13.580 -5.018 1138 HB3 HIS 143 1HB HIS 143 -23.897 13.844 -6.569 1139 HD1 HIS 143 1HD HIS 143 -22.080 11.376 -4.814 1140 HD2 HIS 143 2HD HIS 143 -22.138 12.700 -8.758 1141 HE1 HIS 143 1HE HIS 143 -21.104 9.499 -6.175 1142 HE2 HIS 143 2HE HIS 143 -21.417 10.219 -8.571 1143 H HIS 144 HN HIS 144 -24.147 15.626 -7.545 1144 HA HIS 144 HA HIS 144 -25.306 17.370 -5.545 1145 HB2 HIS 144 2HB HIS 144 -23.869 18.836 -7.076 1146 HB3 HIS 144 1HB HIS 144 -24.954 18.372 -8.384 1147 HD1 HIS 144 1HD HIS 144 -26.770 19.994 -8.780 1148 HD2 HIS 144 2HD HIS 144 -25.472 20.065 -4.831 1149 HE1 HIS 144 1HE HIS 144 -28.097 21.815 -7.659 1150 HE2 HIS 144 2HE HIS 144 -27.155 21.966 -5.322 1151 H HIS 145 HN HIS 145 -27.350 16.646 -5.396 1152 HA HIS 145 HA HIS 145 -28.113 14.357 -6.670 1153 HB2 HIS 145 2HB HIS 145 -29.181 15.028 -4.618 1154 HB3 HIS 145 1HB HIS 145 -29.933 16.411 -5.412 1155 HD1 HIS 145 1HD HIS 145 -32.296 16.016 -5.993 1156 HD2 HIS 145 2HD HIS 145 -30.094 12.493 -6.049 1157 HE1 HIS 145 1HE HIS 145 -33.923 14.209 -6.639 1158 HE2 HIS 145 2HE HIS 145 -32.494 12.158 -6.945 1159 H HIS 146 HN HIS 146 -28.278 14.027 -8.721 1160 HA HIS 146 HA HIS 146 -30.581 15.037 -10.086 1161 HB2 HIS 146 2HB HIS 146 -28.981 16.803 -10.687 1162 HB3 HIS 146 1HB HIS 146 -27.835 15.591 -11.250 1163 HD1 HIS 146 1HD HIS 146 -31.218 17.043 -12.122 1164 HD2 HIS 146 2HD HIS 146 -28.197 14.762 -13.846 1165 HE1 HIS 146 1HE HIS 146 -31.830 16.829 -14.550 1166 HE2 HIS 146 2HE HIS 146 -30.075 15.312 -15.537 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -13.180 -2.102 6.082 2 H2 MET 1 H2 MET 1 -12.175 -3.406 5.645 3 H3 MET 1 H3 MET 1 -13.858 -3.618 5.739 4 HA MET 1 HA MET 1 -13.102 -3.452 3.447 5 HB2 MET 1 2HB MET 1 -15.364 -2.694 4.041 6 HB3 MET 1 1HB MET 1 -14.738 -1.093 4.412 7 HG2 MET 1 2HG MET 1 -13.968 -0.980 2.011 8 HG3 MET 1 1HG MET 1 -14.915 -2.439 1.734 9 HE1 MET 1 2HE MET 1 -15.686 0.618 4.093 10 HE2 MET 1 3HE MET 1 -16.705 1.610 3.047 11 HE3 MET 1 1HE MET 1 -15.001 1.377 2.657 12 H ILE 2 HN ILE 2 -11.860 -2.455 1.925 13 HA ILE 2 HA ILE 2 -10.730 0.167 2.611 14 HB ILE 2 HB ILE 2 -8.983 -1.513 2.979 15 HG12 ILE 2 2HG1 ILE 2 -8.467 0.109 0.477 16 HG13 ILE 2 1HG1 ILE 2 -8.391 0.734 2.121 17 HG21 ILE 2 1HG2 ILE 2 -8.087 -2.845 1.139 18 HG22 ILE 2 2HG2 ILE 2 -9.355 -2.234 0.076 19 HG23 ILE 2 3HG2 ILE 2 -9.776 -3.244 1.459 20 HD11 ILE 2 3HD1 ILE 2 -6.552 -0.779 2.618 21 HD12 ILE 2 1HD1 ILE 2 -6.179 0.258 1.242 22 HD13 ILE 2 2HD1 ILE 2 -6.636 -1.425 0.979 23 H THR 3 HN THR 3 -10.836 1.649 1.023 24 HA THR 3 HA THR 3 -11.788 0.721 -1.607 25 HB THR 3 HB THR 3 -12.503 3.302 -0.201 26 HG1 THR 3 1HG THR 3 -13.594 0.794 -0.159 27 HG21 THR 3 3HG2 THR 3 -14.103 3.605 -2.034 28 HG22 THR 3 1HG2 THR 3 -13.496 2.141 -2.807 29 HG23 THR 3 2HG2 THR 3 -12.445 3.548 -2.636 30 H LEU 4 HN LEU 4 -10.499 1.160 -3.234 31 HA LEU 4 HA LEU 4 -8.813 3.573 -3.146 32 HB2 LEU 4 2HB LEU 4 -7.975 0.984 -4.445 33 HB3 LEU 4 1HB LEU 4 -7.016 2.429 -4.266 34 HG LEU 4 HG LEU 4 -7.248 1.953 -1.709 35 HD11 LEU 4 1HD1 LEU 4 -8.889 0.170 -1.881 36 HD12 LEU 4 2HD1 LEU 4 -7.385 -0.437 -1.190 37 HD13 LEU 4 3HD1 LEU 4 -7.783 -0.778 -2.874 38 HD21 LEU 4 3HD2 LEU 4 -5.232 0.585 -1.796 39 HD22 LEU 4 1HD2 LEU 4 -5.164 1.892 -2.977 40 HD23 LEU 4 2HD2 LEU 4 -5.523 0.247 -3.503 41 H THR 5 HN THR 5 -8.195 4.257 -5.426 42 HA THR 5 HA THR 5 -10.451 3.667 -7.208 43 HB THR 5 HB THR 5 -9.945 5.706 -8.401 44 HG1 THR 5 1HG THR 5 -8.147 6.943 -6.987 45 HG21 THR 5 3HG2 THR 5 -10.317 7.369 -6.632 46 HG22 THR 5 1HG2 THR 5 -9.887 6.166 -5.418 47 HG23 THR 5 2HG2 THR 5 -11.329 5.942 -6.407 48 H LYS 6 HN LYS 6 -9.919 3.630 -9.557 49 HA LYS 6 HA LYS 6 -8.056 1.663 -10.218 50 HB2 LYS 6 2HB LYS 6 -10.066 2.666 -11.548 51 HB3 LYS 6 1HB LYS 6 -8.872 3.789 -12.173 52 HG2 LYS 6 2HG LYS 6 -7.521 1.822 -12.908 53 HG3 LYS 6 1HG LYS 6 -8.888 0.798 -12.463 54 HD2 LYS 6 2HD LYS 6 -10.303 2.190 -14.003 55 HD3 LYS 6 1HD LYS 6 -8.816 2.967 -14.553 56 HE2 LYS 6 2HE LYS 6 -7.954 0.674 -15.116 57 HE3 LYS 6 1HE LYS 6 -9.575 0.064 -14.792 58 HZ1 LYS 6 3HZ LYS 6 -10.311 1.805 -16.490 59 HZ2 LYS 6 1HZ LYS 6 -9.532 0.414 -17.072 60 HZ3 LYS 6 2HZ LYS 6 -8.678 1.874 -16.945 61 H LYS 7 HN LYS 7 -7.838 5.149 -10.212 62 HA LYS 7 HA LYS 7 -5.382 5.484 -11.474 63 HB2 LYS 7 2HB LYS 7 -6.998 7.288 -11.041 64 HB3 LYS 7 1HB LYS 7 -6.668 7.164 -9.320 65 HG2 LYS 7 2HG LYS 7 -4.373 7.807 -9.693 66 HG3 LYS 7 1HG LYS 7 -4.662 7.892 -11.426 67 HD2 LYS 7 2HD LYS 7 -5.970 9.601 -9.315 68 HD3 LYS 7 1HD LYS 7 -4.696 10.114 -10.421 69 HE2 LYS 7 2HE LYS 7 -6.288 9.469 -12.298 70 HE3 LYS 7 1HE LYS 7 -7.539 9.382 -11.058 71 HZ1 LYS 7 3HZ LYS 7 -6.899 11.716 -10.468 72 HZ2 LYS 7 1HZ LYS 7 -7.636 11.535 -11.983 73 HZ3 LYS 7 2HZ LYS 7 -5.957 11.748 -11.869 74 H GLN 8 HN GLN 8 -6.172 5.204 -8.008 75 HA GLN 8 HA GLN 8 -3.538 5.416 -7.045 76 HB2 GLN 8 2HB GLN 8 -5.694 3.713 -5.787 77 HB3 GLN 8 1HB GLN 8 -4.351 4.506 -4.983 78 HG2 GLN 8 2HG GLN 8 -6.846 5.721 -6.097 79 HG3 GLN 8 1HG GLN 8 -6.245 5.758 -4.446 80 HE21 GLN 8 1HE2 GLN 8 -4.517 7.173 -3.940 81 HE22 GLN 8 2HE2 GLN 8 -4.140 8.521 -4.951 82 H MET 9 HN MET 9 -5.411 2.644 -8.170 83 HA MET 9 HA MET 9 -3.508 0.657 -7.541 84 HB2 MET 9 2HB MET 9 -5.798 0.069 -8.109 85 HB3 MET 9 1HB MET 9 -5.598 0.727 -9.725 86 HG2 MET 9 2HG MET 9 -3.996 -0.982 -10.276 87 HG3 MET 9 1HG MET 9 -4.051 -1.606 -8.629 88 HE1 MET 9 3HE MET 9 -6.040 -2.933 -7.599 89 HE2 MET 9 1HE MET 9 -7.607 -3.141 -8.385 90 HE3 MET 9 2HE MET 9 -7.088 -1.539 -7.866 91 H GLU 10 HN GLU 10 -4.082 2.533 -10.507 92 HA GLU 10 HA GLU 10 -2.017 1.519 -12.067 93 HB2 GLU 10 2HB GLU 10 -3.664 3.972 -11.978 94 HB3 GLU 10 1HB GLU 10 -2.167 4.084 -12.880 95 HG2 GLU 10 2HG GLU 10 -4.077 1.837 -13.353 96 HG3 GLU 10 1HG GLU 10 -4.314 3.410 -14.112 97 H GLU 11 HN GLU 11 -2.022 4.183 -9.730 98 HA GLU 11 HA GLU 11 0.612 5.035 -10.131 99 HB2 GLU 11 2HB GLU 11 -1.445 5.318 -8.002 100 HB3 GLU 11 1HB GLU 11 0.200 5.739 -7.586 101 HG2 GLU 11 2HG GLU 11 0.269 7.298 -9.486 102 HG3 GLU 11 1HG GLU 11 -1.405 6.891 -9.852 103 H MET 12 HN MET 12 -0.708 2.588 -7.921 104 HA MET 12 HA MET 12 1.818 1.922 -6.783 105 HB2 MET 12 2HB MET 12 -0.727 0.302 -6.990 106 HB3 MET 12 1HB MET 12 0.680 -0.170 -6.046 107 HG2 MET 12 2HG MET 12 0.418 1.883 -4.703 108 HG3 MET 12 1HG MET 12 -1.044 2.257 -5.613 109 HE1 MET 12 3HE MET 12 -3.321 -0.830 -4.646 110 HE2 MET 12 1HE MET 12 -2.204 -0.729 -6.006 111 HE3 MET 12 2HE MET 12 -3.223 0.651 -5.600 112 H LEU 13 HN LEU 13 -0.124 0.544 -9.407 113 HA LEU 13 HA LEU 13 1.537 -1.619 -10.048 114 HB2 LEU 13 2HB LEU 13 -0.423 -0.022 -11.680 115 HB3 LEU 13 1HB LEU 13 0.426 -1.404 -12.339 116 HG LEU 13 HG LEU 13 -1.456 -1.453 -9.979 117 HD11 LEU 13 1HD1 LEU 13 -2.947 -2.664 -11.465 118 HD12 LEU 13 2HD1 LEU 13 -1.784 -2.522 -12.782 119 HD13 LEU 13 3HD1 LEU 13 -2.567 -1.079 -12.137 120 HD21 LEU 13 3HD2 LEU 13 0.321 -3.119 -9.773 121 HD22 LEU 13 1HD2 LEU 13 -0.035 -3.709 -11.397 122 HD23 LEU 13 2HD2 LEU 13 -1.232 -3.879 -10.114 123 H ALA 14 HN ALA 14 1.565 1.726 -11.189 124 HA ALA 14 HA ALA 14 3.513 1.432 -13.190 125 HB1 ALA 14 1HB ALA 14 3.870 3.839 -12.975 126 HB2 ALA 14 2HB ALA 14 2.995 3.841 -11.443 127 HB3 ALA 14 3HB ALA 14 2.151 3.453 -12.942 128 H HIS 15 HN HIS 15 3.831 2.223 -9.741 129 HA HIS 15 HA HIS 15 6.658 2.365 -9.733 130 HB2 HIS 15 2HB HIS 15 5.114 3.208 -7.919 131 HB3 HIS 15 1HB HIS 15 4.906 1.539 -7.412 132 HD1 HIS 15 1HD HIS 15 7.685 4.108 -7.793 133 HD2 HIS 15 2HD HIS 15 6.775 0.674 -5.632 134 HE1 HIS 15 1HE HIS 15 9.531 3.856 -6.111 135 HE2 HIS 15 2HE HIS 15 8.806 1.943 -4.647 136 H ALA 16 HN ALA 16 4.383 -0.279 -9.262 137 HA ALA 16 HA ALA 16 6.224 -2.243 -8.446 138 HB1 ALA 16 1HB ALA 16 3.630 -2.628 -9.928 139 HB2 ALA 16 2HB ALA 16 3.804 -2.486 -8.177 140 HB3 ALA 16 3HB ALA 16 4.510 -3.862 -9.024 141 H ARG 17 HN ARG 17 4.879 -1.577 -11.670 142 HA ARG 17 HA ARG 17 6.304 -3.571 -13.034 143 HB2 ARG 17 2HB ARG 17 5.040 -0.984 -13.925 144 HB3 ARG 17 1HB ARG 17 5.878 -2.034 -15.059 145 HG2 ARG 17 2HG ARG 17 4.330 -3.786 -14.734 146 HG3 ARG 17 1HG ARG 17 3.630 -3.000 -13.317 147 HD2 ARG 17 2HD ARG 17 3.550 -1.768 -16.060 148 HD3 ARG 17 1HD ARG 17 2.296 -2.860 -15.477 149 HE ARG 17 HE ARG 17 2.722 -0.808 -13.592 150 HH11 ARG 17 1HH1 ARG 17 1.388 -1.240 -16.816 151 HH12 ARG 17 2HH1 ARG 17 0.165 -0.016 -16.604 152 HH21 ARG 17 1HH2 ARG 17 1.111 0.801 -13.333 153 HH22 ARG 17 2HH2 ARG 17 -0.025 1.110 -14.611 154 H GLN 18 HN GLN 18 7.138 -0.230 -12.264 155 HA GLN 18 HA GLN 18 9.504 -0.157 -13.846 156 HB2 GLN 18 2HB GLN 18 8.260 1.867 -13.128 157 HB3 GLN 18 1HB GLN 18 8.746 1.546 -11.470 158 HG2 GLN 18 2HG GLN 18 11.125 1.702 -12.245 159 HG3 GLN 18 1HG GLN 18 10.502 2.278 -13.790 160 HE21 GLN 18 1HE2 GLN 18 8.295 3.731 -12.498 161 HE22 GLN 18 2HE2 GLN 18 9.011 5.144 -11.797 162 H ALA 19 HN ALA 19 8.813 -0.876 -10.470 163 HA ALA 19 HA ALA 19 11.484 -0.759 -9.556 164 HB1 ALA 19 1HB ALA 19 9.541 -0.510 -8.087 165 HB2 ALA 19 2HB ALA 19 10.659 -1.746 -7.512 166 HB3 ALA 19 3HB ALA 19 9.161 -2.217 -8.316 167 H LEU 20 HN LEU 20 9.648 -3.316 -11.058 168 HA LEU 20 HA LEU 20 10.969 -5.583 -10.193 169 HB2 LEU 20 2HB LEU 20 9.969 -4.963 -12.969 170 HB3 LEU 20 1HB LEU 20 10.390 -6.559 -12.389 171 HG LEU 20 HG LEU 20 8.129 -4.837 -11.385 172 HD11 LEU 20 1HD1 LEU 20 7.690 -5.799 -13.562 173 HD12 LEU 20 2HD1 LEU 20 6.724 -6.616 -12.333 174 HD13 LEU 20 3HD1 LEU 20 8.169 -7.393 -12.980 175 HD21 LEU 20 3HD2 LEU 20 8.971 -7.611 -10.546 176 HD22 LEU 20 1HD2 LEU 20 7.512 -6.769 -10.019 177 HD23 LEU 20 2HD2 LEU 20 9.100 -6.148 -9.570 178 HA PRO 21 HA PRO 21 11.835 -7.194 -10.366 179 HB2 PRO 21 2HB PRO 21 13.935 -8.861 -10.242 180 HB3 PRO 21 1HB PRO 21 12.993 -8.668 -11.724 181 HG2 PRO 21 2HG PRO 21 15.718 -7.748 -11.107 182 HG3 PRO 21 1HG PRO 21 14.951 -8.005 -12.681 183 HD2 PRO 21 2HD PRO 21 15.290 -5.528 -11.209 184 HD3 PRO 21 1HD PRO 21 14.661 -5.764 -12.853 185 H ASN 22 HN ASN 22 13.063 -4.766 -9.171 186 HA ASN 22 HA ASN 22 14.582 -5.800 -6.892 187 HB2 ASN 22 2HB ASN 22 15.290 -3.739 -8.060 188 HB3 ASN 22 1HB ASN 22 13.772 -2.978 -7.627 189 HD21 ASN 22 1HD2 ASN 22 15.579 -5.060 -5.443 190 HD22 ASN 22 2HD2 ASN 22 16.032 -3.806 -4.341 191 H GLU 23 HN GLU 23 11.458 -5.312 -7.788 192 HA GLU 23 HA GLU 23 9.471 -5.574 -6.741 193 HB2 GLU 23 2HB GLU 23 11.140 -5.937 -4.250 194 HB3 GLU 23 1HB GLU 23 9.396 -6.142 -4.316 195 HG2 GLU 23 2HG GLU 23 11.326 -7.712 -6.000 196 HG3 GLU 23 1HG GLU 23 10.726 -8.251 -4.435 197 H ALA 24 HN ALA 24 7.925 -4.374 -5.616 198 HA ALA 24 HA ALA 24 8.777 -1.592 -5.311 199 HB1 ALA 24 1HB ALA 24 7.077 -1.935 -6.959 200 HB2 ALA 24 2HB ALA 24 6.374 -1.077 -5.590 201 HB3 ALA 24 3HB ALA 24 6.067 -2.799 -5.802 202 H CYS 25 HN CYS 25 8.290 -0.367 -3.585 203 HA CYS 25 HA CYS 25 6.739 -1.501 -1.395 204 HB2 CYS 25 2HB CYS 25 8.433 -0.580 0.221 205 HB3 CYS 25 1HB CYS 25 9.020 -1.936 -0.734 206 HG CYS 25 HG CYS 25 10.855 0.375 -0.235 207 H GLY 26 HN GLY 26 6.165 0.300 0.206 208 HA2 GLY 26 2HA GLY 26 6.536 2.972 -0.096 209 HA3 GLY 26 1HA GLY 26 5.294 2.606 -1.286 210 H LEU 27 HN LEU 27 4.164 4.204 0.179 211 HA LEU 27 HA LEU 27 2.760 2.683 2.275 212 HB2 LEU 27 2HB LEU 27 3.618 5.576 2.396 213 HB3 LEU 27 1HB LEU 27 2.549 4.808 3.554 214 HG LEU 27 HG LEU 27 5.427 4.028 3.066 215 HD11 LEU 27 1HD1 LEU 27 5.229 6.223 4.116 216 HD12 LEU 27 2HD1 LEU 27 5.851 5.025 5.251 217 HD13 LEU 27 3HD1 LEU 27 4.168 5.543 5.352 218 HD21 LEU 27 3HD2 LEU 27 4.041 2.153 3.799 219 HD22 LEU 27 1HD2 LEU 27 3.457 3.110 5.161 220 HD23 LEU 27 2HD2 LEU 27 5.159 2.655 5.067 221 H LEU 28 HN LEU 28 0.576 3.302 2.622 222 HA LEU 28 HA LEU 28 -0.614 4.754 0.352 223 HB2 LEU 28 2HB LEU 28 -1.790 2.579 2.084 224 HB3 LEU 28 1HB LEU 28 -2.678 3.459 0.853 225 HG LEU 28 HG LEU 28 -0.294 1.670 0.354 226 HD11 LEU 28 1HD1 LEU 28 -1.911 0.185 -0.712 227 HD12 LEU 28 2HD1 LEU 28 -3.223 1.268 -0.243 228 HD13 LEU 28 3HD1 LEU 28 -2.290 0.423 0.994 229 HD21 LEU 28 3HD2 LEU 28 -2.098 3.138 -1.569 230 HD22 LEU 28 1HD2 LEU 28 -0.838 1.987 -2.013 231 HD23 LEU 28 2HD2 LEU 28 -0.407 3.511 -1.238 232 H GLY 29 HN GLY 29 -1.789 6.539 0.777 233 HA2 GLY 29 2HA GLY 29 -2.368 7.097 3.616 234 HA3 GLY 29 1HA GLY 29 -1.759 8.324 2.516 235 H GLY 30 HN GLY 30 -4.156 8.382 4.089 236 HA2 GLY 30 2HA GLY 30 -5.917 9.596 2.376 237 HA3 GLY 30 1HA GLY 30 -6.403 7.905 2.386 238 H ARG 31 HN ARG 31 -8.326 8.164 3.440 239 HA ARG 31 HA ARG 31 -8.122 9.112 6.223 240 HB2 ARG 31 2HB ARG 31 -10.354 9.446 4.228 241 HB3 ARG 31 1HB ARG 31 -10.628 9.594 5.958 242 HG2 ARG 31 2HG ARG 31 -9.099 11.442 6.098 243 HG3 ARG 31 1HG ARG 31 -8.651 11.245 4.403 244 HD2 ARG 31 2HD ARG 31 -11.451 11.854 5.339 245 HD3 ARG 31 1HD ARG 31 -10.289 13.089 4.853 246 HE ARG 31 HE ARG 31 -10.235 11.736 2.661 247 HH11 ARG 31 1HH1 ARG 31 -13.080 12.109 4.693 248 HH12 ARG 31 2HH1 ARG 31 -14.190 12.003 3.361 249 HH21 ARG 31 1HH2 ARG 31 -11.699 11.604 0.919 250 HH22 ARG 31 2HH2 ARG 31 -13.414 11.699 1.232 251 H ARG 32 HN ARG 32 -9.177 7.925 7.804 252 HA ARG 32 HA ARG 32 -10.488 5.461 6.902 253 HB2 ARG 32 2HB ARG 32 -9.436 4.203 8.731 254 HB3 ARG 32 1HB ARG 32 -8.247 4.820 7.596 255 HG2 ARG 32 2HG ARG 32 -7.742 6.650 9.159 256 HG3 ARG 32 1HG ARG 32 -8.887 5.954 10.311 257 HD2 ARG 32 2HD ARG 32 -7.569 3.874 10.328 258 HD3 ARG 32 1HD ARG 32 -6.416 4.609 9.217 259 HE ARG 32 HE ARG 32 -6.813 6.082 11.658 260 HH11 ARG 32 1HH1 ARG 32 -4.984 3.550 10.077 261 HH12 ARG 32 2HH1 ARG 32 -3.644 3.645 11.179 262 HH21 ARG 32 1HH2 ARG 32 -5.063 6.203 13.120 263 HH22 ARG 32 2HH2 ARG 32 -3.692 5.151 12.907 264 H ASP 33 HN ASP 33 -12.260 4.840 8.053 265 HA ASP 33 HA ASP 33 -12.986 6.497 10.378 266 HB2 ASP 33 2HB ASP 33 -14.032 7.360 8.208 267 HB3 ASP 33 1HB ASP 33 -14.976 5.873 8.198 268 H GLY 34 HN GLY 34 -13.868 5.335 12.010 269 HA2 GLY 34 2HA GLY 34 -14.536 3.446 13.166 270 HA3 GLY 34 1HA GLY 34 -15.030 2.739 11.632 271 H ASP 35 HN ASP 35 -13.610 1.485 10.485 272 HA ASP 35 HA ASP 35 -10.786 1.607 11.153 273 HB2 ASP 35 2HB ASP 35 -11.914 -0.277 12.515 274 HB3 ASP 35 1HB ASP 35 -12.036 -1.126 10.976 275 H ASP 36 HN ASP 36 -13.039 1.855 8.907 276 HA ASP 36 HA ASP 36 -11.786 0.257 6.829 277 HB2 ASP 36 2HB ASP 36 -14.097 2.194 6.641 278 HB3 ASP 36 1HB ASP 36 -13.545 1.140 5.352 279 H ARG 37 HN ARG 37 -11.185 1.330 4.778 280 HA ARG 37 HA ARG 37 -9.757 3.828 5.379 281 HB2 ARG 37 2HB ARG 37 -8.450 1.609 3.840 282 HB3 ARG 37 1HB ARG 37 -7.699 2.985 4.631 283 HG2 ARG 37 2HG ARG 37 -8.405 1.965 6.822 284 HG3 ARG 37 1HG ARG 37 -8.845 0.521 5.909 285 HD2 ARG 37 2HD ARG 37 -6.481 0.574 4.982 286 HD3 ARG 37 1HD ARG 37 -6.129 1.764 6.232 287 HE ARG 37 HE ARG 37 -6.282 -1.035 6.559 288 HH11 ARG 37 1HH1 ARG 37 -7.184 1.925 8.209 289 HH12 ARG 37 2HH1 ARG 37 -7.071 1.235 9.799 290 HH21 ARG 37 1HH2 ARG 37 -6.104 -1.933 8.640 291 HH22 ARG 37 2HH2 ARG 37 -6.453 -0.975 10.041 292 H TRP 38 HN TRP 38 -9.695 5.290 3.786 293 HA TRP 38 HA TRP 38 -10.396 4.449 1.054 294 HB2 TRP 38 2HB TRP 38 -10.951 7.067 2.470 295 HB3 TRP 38 1HB TRP 38 -11.199 6.810 0.745 296 HD1 TRP 38 1HD TRP 38 -13.204 5.215 0.018 297 HE1 TRP 38 1HE TRP 38 -15.348 4.472 1.233 298 HE3 TRP 38 3HE TRP 38 -11.895 6.495 4.783 299 HZ2 TRP 38 2HZ TRP 38 -16.343 4.442 3.876 300 HZ3 TRP 38 3HZ TRP 38 -13.499 6.075 6.598 301 HH2 TRP 38 2HH TRP 38 -15.676 5.069 6.154 302 H VAL 39 HN VAL 39 -8.647 4.446 -0.196 303 HA VAL 39 HA VAL 39 -6.296 5.965 0.559 304 HB VAL 39 HB VAL 39 -6.740 4.095 -1.787 305 HG11 VAL 39 1HG1 VAL 39 -4.182 5.287 -0.697 306 HG12 VAL 39 2HG1 VAL 39 -4.954 5.718 -2.224 307 HG13 VAL 39 3HG1 VAL 39 -4.299 4.097 -1.994 308 HG21 VAL 39 3HG2 VAL 39 -5.398 2.521 -0.451 309 HG22 VAL 39 1HG2 VAL 39 -6.908 2.956 0.348 310 HG23 VAL 39 2HG2 VAL 39 -5.390 3.676 0.881 311 H GLU 40 HN GLU 40 -6.266 8.057 0.064 312 HA GLU 40 HA GLU 40 -7.483 8.930 -2.463 313 HB2 GLU 40 2HB GLU 40 -6.766 10.534 -0.005 314 HB3 GLU 40 1HB GLU 40 -7.508 11.184 -1.460 315 HG2 GLU 40 2HG GLU 40 -9.441 9.681 -1.095 316 HG3 GLU 40 1HG GLU 40 -8.703 9.159 0.417 317 H ARG 41 HN ARG 41 -4.438 8.549 -0.907 318 HA ARG 41 HA ARG 41 -3.145 9.573 -3.292 319 HB2 ARG 41 2HB ARG 41 -3.279 11.572 -1.872 320 HB3 ARG 41 1HB ARG 41 -2.477 10.709 -0.568 321 HG2 ARG 41 2HG ARG 41 -0.426 10.672 -1.704 322 HG3 ARG 41 1HG ARG 41 -1.176 11.084 -3.248 323 HD2 ARG 41 2HD ARG 41 -1.662 13.314 -2.465 324 HD3 ARG 41 1HD ARG 41 -1.085 12.910 -0.850 325 HE ARG 41 HE ARG 41 1.107 13.070 -1.596 326 HH11 ARG 41 1HH1 ARG 41 -1.125 13.459 -4.285 327 HH12 ARG 41 2HH1 ARG 41 0.101 14.071 -5.357 328 HH21 ARG 41 1HH2 ARG 41 2.697 13.884 -3.017 329 HH22 ARG 41 2HH2 ARG 41 2.252 14.315 -4.644 330 H VAL 42 HN VAL 42 -1.387 8.425 -3.820 331 HA VAL 42 HA VAL 42 -0.513 6.358 -1.921 332 HB VAL 42 HB VAL 42 -0.181 6.451 -4.929 333 HG11 VAL 42 1HG1 VAL 42 1.593 5.184 -3.825 334 HG12 VAL 42 2HG1 VAL 42 0.516 4.114 -4.723 335 HG13 VAL 42 3HG1 VAL 42 0.387 4.228 -2.968 336 HG21 VAL 42 3HG2 VAL 42 -1.875 4.712 -5.003 337 HG22 VAL 42 1HG2 VAL 42 -2.520 6.170 -4.249 338 HG23 VAL 42 2HG2 VAL 42 -2.059 4.790 -3.252 339 H TYR 43 HN TYR 43 1.582 6.230 -1.271 340 HA TYR 43 HA TYR 43 3.485 8.071 -2.555 341 HB2 TYR 43 2HB TYR 43 3.002 7.532 0.335 342 HB3 TYR 43 1HB TYR 43 4.657 7.843 -0.185 343 HD1 TYR 43 2HD TYR 43 5.228 9.998 -1.262 344 HD2 TYR 43 1HD TYR 43 1.386 9.292 0.421 345 HE1 TYR 43 2HE TYR 43 4.785 12.418 -1.278 346 HE2 TYR 43 1HE TYR 43 0.930 11.706 0.402 347 HH TYR 43 HH TYR 43 2.241 13.844 0.413 348 HA PRO 44 HA PRO 44 5.264 3.922 -3.184 349 HB2 PRO 44 2HB PRO 44 6.186 5.018 -5.711 350 HB3 PRO 44 1HB PRO 44 5.082 3.672 -5.428 351 HG2 PRO 44 2HG PRO 44 4.298 6.043 -6.507 352 HG3 PRO 44 1HG PRO 44 3.222 5.001 -5.559 353 HD2 PRO 44 2HD PRO 44 4.700 7.465 -4.719 354 HD3 PRO 44 1HD PRO 44 3.046 6.952 -4.318 355 H LEU 45 HN LEU 45 6.990 3.960 -1.855 356 HA LEU 45 HA LEU 45 9.007 6.031 -2.143 357 HB2 LEU 45 2HB LEU 45 8.717 3.832 -0.095 358 HB3 LEU 45 1HB LEU 45 9.931 5.097 -0.055 359 HG LEU 45 HG LEU 45 6.947 5.524 0.163 360 HD11 LEU 45 1HD1 LEU 45 9.132 5.698 2.232 361 HD12 LEU 45 2HD1 LEU 45 7.857 4.482 2.152 362 HD13 LEU 45 3HD1 LEU 45 7.448 6.166 2.477 363 HD21 LEU 45 3HD2 LEU 45 9.227 7.488 0.392 364 HD22 LEU 45 1HD2 LEU 45 7.522 7.839 0.680 365 HD23 LEU 45 2HD2 LEU 45 8.070 7.394 -0.935 366 H ASN 46 HN ASN 46 11.321 5.350 -1.910 367 HA ASN 46 HA ASN 46 11.914 3.432 -3.984 368 HB2 ASN 46 2HB ASN 46 13.119 5.586 -3.833 369 HB3 ASN 46 1HB ASN 46 13.760 5.111 -2.265 370 HD21 ASN 46 1HD2 ASN 46 15.866 5.230 -2.907 371 HD22 ASN 46 2HD2 ASN 46 16.589 4.096 -3.997 372 H ASN 47 HN ASN 47 13.278 1.598 -3.722 373 HA ASN 47 HA ASN 47 12.962 0.364 -1.095 374 HB2 ASN 47 2HB ASN 47 12.201 -0.908 -3.072 375 HB3 ASN 47 1HB ASN 47 13.844 -0.887 -3.708 376 HD21 ASN 47 1HD2 ASN 47 13.687 -3.213 -3.699 377 HD22 ASN 47 2HD2 ASN 47 13.964 -4.087 -2.232 378 H LEU 48 HN LEU 48 14.542 0.356 0.300 379 HA LEU 48 HA LEU 48 17.154 1.274 -0.374 380 HB2 LEU 48 2HB LEU 48 15.886 0.258 2.150 381 HB3 LEU 48 1HB LEU 48 17.591 0.649 2.075 382 HG LEU 48 HG LEU 48 16.310 2.473 3.039 383 HD11 LEU 48 1HD1 LEU 48 17.394 3.118 0.307 384 HD12 LEU 48 2HD1 LEU 48 18.315 3.036 1.810 385 HD13 LEU 48 3HD1 LEU 48 17.094 4.290 1.590 386 HD21 LEU 48 3HD2 LEU 48 14.170 2.137 1.972 387 HD22 LEU 48 1HD2 LEU 48 14.858 2.577 0.409 388 HD23 LEU 48 2HD2 LEU 48 14.740 3.782 1.691 389 H ASP 49 HN ASP 49 15.696 -1.863 -0.128 390 HA ASP 49 HA ASP 49 18.266 -3.176 0.232 391 HB2 ASP 49 2HB ASP 49 15.916 -3.998 1.118 392 HB3 ASP 49 1HB ASP 49 15.780 -4.683 -0.494 393 H GLN 50 HN GLN 50 19.461 -4.064 -1.365 394 HA GLN 50 HA GLN 50 18.628 -3.520 -4.097 395 HB2 GLN 50 2HB GLN 50 20.915 -4.255 -4.697 396 HB3 GLN 50 1HB GLN 50 20.899 -2.950 -3.520 397 HG2 GLN 50 2HG GLN 50 21.347 -4.530 -1.731 398 HG3 GLN 50 1HG GLN 50 21.310 -5.863 -2.887 399 HE21 GLN 50 1HE2 GLN 50 23.458 -4.937 -1.116 400 HE22 GLN 50 2HE2 GLN 50 24.806 -4.596 -2.151 401 H SER 51 HN SER 51 18.051 -5.916 -1.995 402 HA SER 51 HA SER 51 18.455 -8.255 -3.532 403 HB2 SER 51 2HB SER 51 16.518 -7.627 -1.298 404 HB3 SER 51 1HB SER 51 16.783 -9.240 -1.946 405 HG SER 51 HG SER 51 18.486 -7.599 -0.434 406 HA PRO 52 HA PRO 52 15.095 -7.883 -6.415 407 HB2 PRO 52 2HB PRO 52 14.975 -10.422 -7.278 408 HB3 PRO 52 1HB PRO 52 16.349 -9.375 -7.663 409 HG2 PRO 52 2HG PRO 52 16.111 -11.490 -5.554 410 HG3 PRO 52 1HG PRO 52 17.455 -11.166 -6.664 411 HD2 PRO 52 2HD PRO 52 17.408 -10.319 -4.067 412 HD3 PRO 52 1HD PRO 52 18.288 -9.474 -5.356 413 H GLU 53 HN GLU 53 14.774 -9.034 -3.437 414 HA GLU 53 HA GLU 53 12.057 -10.084 -3.842 415 HB2 GLU 53 2HB GLU 53 14.097 -11.145 -1.874 416 HB3 GLU 53 1HB GLU 53 12.464 -11.753 -2.108 417 HG2 GLU 53 2HG GLU 53 12.974 -12.701 -4.166 418 HG3 GLU 53 1HG GLU 53 14.420 -11.715 -4.368 419 H HIS 54 HN HIS 54 14.316 -9.046 -1.288 420 HA HIS 54 HA HIS 54 12.236 -8.387 0.540 421 HB2 HIS 54 2HB HIS 54 15.189 -7.753 0.574 422 HB3 HIS 54 1HB HIS 54 14.094 -7.385 1.893 423 HD1 HIS 54 1HD HIS 54 15.456 -8.913 3.469 424 HD2 HIS 54 2HD HIS 54 13.779 -10.880 0.215 425 HE1 HIS 54 1HE HIS 54 15.671 -11.366 3.977 426 HE2 HIS 54 2HE HIS 54 14.882 -12.524 1.884 427 H PHE 55 HN PHE 55 11.549 -6.399 1.265 428 HA PHE 55 HA PHE 55 12.304 -4.086 -0.385 429 HB2 PHE 55 2HB PHE 55 10.030 -3.352 -0.508 430 HB3 PHE 55 1HB PHE 55 10.050 -5.041 -0.996 431 HD1 PHE 55 1HD PHE 55 9.620 -6.737 1.016 432 HD2 PHE 55 2HD PHE 55 8.384 -2.668 0.933 433 HE1 PHE 55 1HE PHE 55 7.875 -7.236 2.677 434 HE2 PHE 55 2HE PHE 55 6.642 -3.158 2.597 435 HZ PHE 55 HZ PHE 55 6.385 -5.445 3.471 436 H SER 56 HN SER 56 12.616 -2.195 0.648 437 HA SER 56 HA SER 56 11.571 -1.778 3.330 438 HB2 SER 56 2HB SER 56 14.536 -1.556 2.747 439 HB3 SER 56 1HB SER 56 13.746 -1.111 4.258 440 HG SER 56 HG SER 56 13.076 -3.628 3.558 441 H MET 57 HN MET 57 11.077 0.334 3.674 442 HA MET 57 HA MET 57 11.680 2.160 1.448 443 HB2 MET 57 2HB MET 57 9.623 3.326 1.981 444 HB3 MET 57 1HB MET 57 9.292 1.616 1.744 445 HG2 MET 57 2HG MET 57 9.632 2.910 4.437 446 HG3 MET 57 1HG MET 57 8.078 2.677 3.642 447 HE1 MET 57 3HE MET 57 7.824 -1.228 3.485 448 HE2 MET 57 1HE MET 57 8.409 -0.115 2.246 449 HE3 MET 57 2HE MET 57 6.977 0.291 3.193 450 H ASP 58 HN ASP 58 12.556 1.532 4.541 451 HA ASP 58 HA ASP 58 13.830 2.607 6.084 452 HB2 ASP 58 2HB ASP 58 14.911 3.603 4.011 453 HB3 ASP 58 1HB ASP 58 13.869 5.003 4.238 454 HA PRO 59 HA PRO 59 10.752 4.731 8.438 455 HB2 PRO 59 2HB PRO 59 12.301 5.643 10.487 456 HB3 PRO 59 1HB PRO 59 11.785 3.960 10.328 457 HG2 PRO 59 2HG PRO 59 14.394 5.221 9.576 458 HG3 PRO 59 1HG PRO 59 14.092 3.675 10.394 459 HD2 PRO 59 2HD PRO 59 14.682 3.817 7.769 460 HD3 PRO 59 1HD PRO 59 13.575 2.591 8.419 461 H ARG 60 HN ARG 60 13.612 6.419 7.317 462 HA ARG 60 HA ARG 60 12.720 9.015 8.167 463 HB2 ARG 60 2HB ARG 60 14.881 8.099 6.284 464 HB3 ARG 60 1HB ARG 60 14.541 9.799 6.579 465 HG2 ARG 60 2HG ARG 60 15.215 9.667 8.812 466 HG3 ARG 60 1HG ARG 60 15.129 7.903 8.826 467 HD2 ARG 60 2HD ARG 60 17.087 9.559 7.239 468 HD3 ARG 60 1HD ARG 60 17.445 8.701 8.742 469 HE ARG 60 HE ARG 60 16.395 6.810 7.029 470 HH11 ARG 60 1HH1 ARG 60 19.143 8.996 6.953 471 HH12 ARG 60 2HH1 ARG 60 20.122 7.913 6.013 472 HH21 ARG 60 1HH2 ARG 60 17.678 5.401 5.824 473 HH22 ARG 60 2HH2 ARG 60 19.296 5.869 5.384 474 H GLU 61 HN GLU 61 12.678 7.210 5.117 475 HA GLU 61 HA GLU 61 11.397 9.233 3.606 476 HB2 GLU 61 2HB GLU 61 11.350 6.232 3.232 477 HB3 GLU 61 1HB GLU 61 10.827 7.411 2.038 478 HG2 GLU 61 2HG GLU 61 13.624 7.255 3.133 479 HG3 GLU 61 1HG GLU 61 13.093 6.470 1.646 480 H GLN 62 HN GLN 62 10.230 6.546 5.583 481 HA GLN 62 HA GLN 62 7.477 6.897 5.193 482 HB2 GLN 62 2HB GLN 62 8.967 6.012 7.671 483 HB3 GLN 62 1HB GLN 62 7.225 5.898 7.466 484 HG2 GLN 62 2HG GLN 62 7.558 4.388 5.569 485 HG3 GLN 62 1HG GLN 62 9.302 4.487 5.811 486 HE21 GLN 62 1HE2 GLN 62 6.304 3.252 7.035 487 HE22 GLN 62 2HE2 GLN 62 6.985 2.142 8.167 488 H LEU 63 HN LEU 63 9.672 8.330 7.578 489 HA LEU 63 HA LEU 63 7.835 9.848 9.012 490 HB2 LEU 63 2HB LEU 63 10.183 9.438 9.664 491 HB3 LEU 63 1HB LEU 63 10.712 10.515 8.388 492 HG LEU 63 HG LEU 63 9.508 12.376 9.524 493 HD11 LEU 63 1HD1 LEU 63 8.813 12.062 11.849 494 HD12 LEU 63 2HD1 LEU 63 9.152 10.337 11.717 495 HD13 LEU 63 3HD1 LEU 63 7.868 11.061 10.749 496 HD21 LEU 63 3HD2 LEU 63 11.589 10.925 11.154 497 HD22 LEU 63 1HD2 LEU 63 11.147 12.624 11.331 498 HD23 LEU 63 2HD2 LEU 63 11.895 12.058 9.838 499 H THR 64 HN THR 64 9.641 10.641 6.084 500 HA THR 64 HA THR 64 8.797 13.313 5.839 501 HB THR 64 HB THR 64 9.509 11.389 3.611 502 HG1 THR 64 1HG THR 64 11.169 11.547 5.206 503 HG21 THR 64 3HG2 THR 64 8.448 13.450 2.821 504 HG22 THR 64 1HG2 THR 64 10.158 13.418 2.392 505 HG23 THR 64 2HG2 THR 64 9.607 14.408 3.743 506 H ALA 65 HN ALA 65 7.453 10.286 4.550 507 HA ALA 65 HA ALA 65 5.334 11.488 3.111 508 HB1 ALA 65 1HB ALA 65 6.163 9.219 2.651 509 HB2 ALA 65 2HB ALA 65 4.421 9.246 2.926 510 HB3 ALA 65 3HB ALA 65 5.506 8.679 4.196 511 H VAL 66 HN VAL 66 5.527 10.106 6.375 512 HA VAL 66 HA VAL 66 2.790 10.377 7.001 513 HB VAL 66 HB VAL 66 5.181 10.336 8.853 514 HG11 VAL 66 1HG1 VAL 66 2.254 9.982 9.494 515 HG12 VAL 66 2HG1 VAL 66 3.270 11.343 9.973 516 HG13 VAL 66 3HG1 VAL 66 3.588 9.733 10.619 517 HG21 VAL 66 3HG2 VAL 66 4.948 8.316 7.501 518 HG22 VAL 66 1HG2 VAL 66 3.274 8.146 8.029 519 HG23 VAL 66 2HG2 VAL 66 4.587 7.990 9.197 520 H LYS 67 HN LYS 67 5.533 12.580 7.402 521 HA LYS 67 HA LYS 67 4.252 14.559 8.909 522 HB2 LYS 67 2HB LYS 67 6.690 14.491 8.481 523 HB3 LYS 67 1HB LYS 67 6.393 14.943 6.809 524 HG2 LYS 67 2HG LYS 67 5.436 17.063 7.540 525 HG3 LYS 67 1HG LYS 67 5.709 16.611 9.222 526 HD2 LYS 67 2HD LYS 67 7.958 16.730 7.235 527 HD3 LYS 67 1HD LYS 67 7.410 18.167 8.096 528 HE2 LYS 67 2HE LYS 67 9.267 17.252 9.288 529 HE3 LYS 67 1HE LYS 67 7.814 16.953 10.239 530 HZ1 LYS 67 3HZ LYS 67 9.391 15.051 10.084 531 HZ2 LYS 67 1HZ LYS 67 9.032 14.937 8.429 532 HZ3 LYS 67 2HZ LYS 67 7.813 14.685 9.588 533 H ASP 68 HN ASP 68 4.569 14.195 5.406 534 HA ASP 68 HA ASP 68 3.078 16.487 4.676 535 HB2 ASP 68 2HB ASP 68 4.578 15.323 3.117 536 HB3 ASP 68 1HB ASP 68 3.540 13.908 3.161 537 H MET 69 HN MET 69 2.261 13.103 5.083 538 HA MET 69 HA MET 69 -0.378 13.103 4.236 539 HB2 MET 69 2HB MET 69 1.201 11.190 5.070 540 HB3 MET 69 1HB MET 69 0.478 11.523 6.635 541 HG2 MET 69 2HG MET 69 -0.740 9.744 5.709 542 HG3 MET 69 1HG MET 69 -1.758 11.174 5.545 543 HE1 MET 69 3HE MET 69 1.406 10.270 3.425 544 HE2 MET 69 1HE MET 69 0.689 9.380 2.082 545 HE3 MET 69 2HE MET 69 0.662 8.694 3.705 546 H ARG 70 HN ARG 70 0.923 13.683 7.478 547 HA ARG 70 HA ARG 70 -1.606 14.053 8.720 548 HB2 ARG 70 2HB ARG 70 0.654 13.443 9.789 549 HB3 ARG 70 1HB ARG 70 1.000 15.166 9.738 550 HG2 ARG 70 2HG ARG 70 -0.977 15.598 11.120 551 HG3 ARG 70 1HG ARG 70 -1.302 13.863 11.183 552 HD2 ARG 70 2HD ARG 70 1.028 13.606 12.146 553 HD3 ARG 70 1HD ARG 70 1.043 15.359 12.330 554 HE ARG 70 HE ARG 70 -1.126 13.804 13.560 555 HH11 ARG 70 1HH1 ARG 70 1.659 15.901 13.883 556 HH12 ARG 70 2HH1 ARG 70 1.489 16.073 15.611 557 HH21 ARG 70 1HH2 ARG 70 -1.375 14.022 15.794 558 HH22 ARG 70 2HH2 ARG 70 -0.271 15.019 16.699 559 H LYS 71 HN LYS 71 0.633 16.169 7.091 560 HA LYS 71 HA LYS 71 -0.384 18.642 8.046 561 HB2 LYS 71 2HB LYS 71 1.846 18.309 6.977 562 HB3 LYS 71 1HB LYS 71 1.034 18.066 5.442 563 HG2 LYS 71 2HG LYS 71 0.142 20.346 5.556 564 HG3 LYS 71 1HG LYS 71 0.988 20.587 7.086 565 HD2 LYS 71 2HD LYS 71 3.128 20.200 5.961 566 HD3 LYS 71 1HD LYS 71 2.281 19.960 4.431 567 HE2 LYS 71 2HE LYS 71 1.400 22.256 4.590 568 HE3 LYS 71 1HE LYS 71 2.318 22.485 6.078 569 HZ1 LYS 71 3HZ LYS 71 3.463 21.913 3.396 570 HZ2 LYS 71 1HZ LYS 71 4.359 22.116 4.823 571 HZ3 LYS 71 2HZ LYS 71 3.478 23.415 4.187 572 H ASN 72 HN ASN 72 -1.168 16.547 5.352 573 HA ASN 72 HA ASN 72 -3.051 18.410 4.187 574 HB2 ASN 72 2HB ASN 72 -2.206 15.597 3.537 575 HB3 ASN 72 1HB ASN 72 -3.566 16.359 2.716 576 HD21 ASN 72 1HD2 ASN 72 -0.823 15.472 1.866 577 HD22 ASN 72 2HD2 ASN 72 -0.167 16.843 1.042 578 H GLY 73 HN GLY 73 -3.138 16.162 6.695 579 HA2 GLY 73 2HA GLY 73 -5.022 15.914 8.109 580 HA3 GLY 73 1HA GLY 73 -6.061 16.337 6.758 581 H TRP 74 HN TRP 74 -3.602 14.096 6.056 582 HA TRP 74 HA TRP 74 -5.597 11.948 5.972 583 HB2 TRP 74 2HB TRP 74 -3.074 12.437 4.400 584 HB3 TRP 74 1HB TRP 74 -3.863 10.865 4.423 585 HD1 TRP 74 1HD TRP 74 -6.849 11.686 4.127 586 HE1 TRP 74 1HE TRP 74 -7.711 12.680 1.921 587 HE3 TRP 74 3HE TRP 74 -2.422 13.399 2.249 588 HZ2 TRP 74 2HZ TRP 74 -6.649 14.040 -0.317 589 HZ3 TRP 74 3HZ TRP 74 -2.430 14.540 0.070 590 HH2 TRP 74 2HH TRP 74 -4.501 14.851 -1.187 591 H VAL 75 HN VAL 75 -4.717 9.740 6.306 592 HA VAL 75 HA VAL 75 -2.520 9.674 8.265 593 HB VAL 75 HB VAL 75 -3.712 7.872 9.486 594 HG11 VAL 75 1HG1 VAL 75 -5.282 9.311 10.664 595 HG12 VAL 75 2HG1 VAL 75 -5.246 10.463 9.330 596 HG13 VAL 75 3HG1 VAL 75 -3.795 10.181 10.293 597 HG21 VAL 75 3HG2 VAL 75 -5.184 7.101 7.710 598 HG22 VAL 75 1HG2 VAL 75 -6.045 8.641 7.736 599 HG23 VAL 75 2HG2 VAL 75 -6.120 7.565 9.131 600 H MET 76 HN MET 76 -1.500 7.548 8.440 601 HA MET 76 HA MET 76 -1.106 6.357 5.864 602 HB2 MET 76 2HB MET 76 0.770 6.651 7.400 603 HB3 MET 76 1HB MET 76 -0.020 5.630 8.594 604 HG2 MET 76 2HG MET 76 0.187 3.708 7.135 605 HG3 MET 76 1HG MET 76 0.892 4.714 5.872 606 HE1 MET 76 3HE MET 76 1.401 3.313 9.533 607 HE2 MET 76 1HE MET 76 1.578 5.060 9.700 608 HE3 MET 76 2HE MET 76 2.973 4.006 9.927 609 H LEU 77 HN LEU 77 -2.193 4.699 5.046 610 HA LEU 77 HA LEU 77 -4.096 3.304 6.778 611 HB2 LEU 77 2HB LEU 77 -3.880 3.340 3.768 612 HB3 LEU 77 1HB LEU 77 -5.181 2.620 4.700 613 HG LEU 77 HG LEU 77 -4.514 5.566 4.595 614 HD11 LEU 77 1HD1 LEU 77 -6.576 5.787 3.355 615 HD12 LEU 77 2HD1 LEU 77 -6.843 4.045 3.444 616 HD13 LEU 77 3HD1 LEU 77 -5.481 4.682 2.522 617 HD21 LEU 77 3HD2 LEU 77 -6.789 4.123 5.956 618 HD22 LEU 77 1HD2 LEU 77 -6.586 5.873 5.850 619 HD23 LEU 77 2HD2 LEU 77 -5.429 4.903 6.764 620 H GLY 78 HN GLY 78 -1.232 2.744 4.893 621 HA2 GLY 78 2HA GLY 78 -0.455 0.429 6.106 622 HA3 GLY 78 1HA GLY 78 -1.508 -0.110 4.806 623 H ASN 79 HN ASN 79 0.272 -1.175 3.859 624 HA ASN 79 HA ASN 79 1.933 0.580 2.224 625 HB2 ASN 79 2HB ASN 79 3.949 -0.832 2.714 626 HB3 ASN 79 1HB ASN 79 3.409 0.148 4.069 627 HD21 ASN 79 1HD2 ASN 79 4.425 -1.160 5.562 628 HD22 ASN 79 2HD2 ASN 79 3.838 -2.731 5.972 629 H PHE 80 HN PHE 80 3.306 -1.001 0.690 630 HA PHE 80 HA PHE 80 1.699 -3.320 -0.012 631 HB2 PHE 80 2HB PHE 80 1.558 -2.658 -2.389 632 HB3 PHE 80 1HB PHE 80 0.655 -1.592 -1.323 633 HD1 PHE 80 1HD PHE 80 1.400 0.700 -0.941 634 HD2 PHE 80 2HD PHE 80 3.460 -1.878 -3.626 635 HE1 PHE 80 1HE PHE 80 2.526 2.646 -1.940 636 HE2 PHE 80 2HE PHE 80 4.595 0.062 -4.627 637 HZ PHE 80 HZ PHE 80 4.128 2.330 -3.785 638 H HIS 81 HN HIS 81 2.721 -4.917 -1.073 639 HA HIS 81 HA HIS 81 5.532 -4.524 -1.866 640 HB2 HIS 81 2HB HIS 81 5.414 -5.666 0.349 641 HB3 HIS 81 1HB HIS 81 4.426 -6.925 -0.369 642 HD1 HIS 81 1HD HIS 81 6.248 -8.651 0.415 643 HD2 HIS 81 2HD HIS 81 7.583 -5.860 -2.385 644 HE1 HIS 81 1HE HIS 81 8.427 -9.551 -0.474 645 HE2 HIS 81 2HE HIS 81 9.310 -7.753 -1.996 646 H SER 82 HN SER 82 6.150 -5.748 -3.679 647 HA SER 82 HA SER 82 3.878 -6.868 -5.190 648 HB2 SER 82 2HB SER 82 5.164 -6.232 -7.216 649 HB3 SER 82 1HB SER 82 4.808 -4.840 -6.192 650 HG SER 82 HG SER 82 7.264 -6.259 -6.444 651 H HIS 83 HN HIS 83 4.270 -8.679 -6.573 652 HA HIS 83 HA HIS 83 6.922 -9.911 -6.393 653 HB2 HIS 83 2HB HIS 83 4.286 -11.259 -5.867 654 HB3 HIS 83 1HB HIS 83 5.643 -12.178 -6.511 655 HD1 HIS 83 1HD HIS 83 4.140 -11.947 -3.487 656 HD2 HIS 83 2HD HIS 83 8.048 -11.170 -4.657 657 HE1 HIS 83 1HE HIS 83 5.522 -12.139 -1.390 658 HE2 HIS 83 2HE HIS 83 7.907 -11.815 -2.158 659 HA PRO 84 HA PRO 84 6.215 -10.027 -10.757 660 HB2 PRO 84 2HB PRO 84 8.637 -11.241 -11.360 661 HB3 PRO 84 1HB PRO 84 8.401 -9.522 -11.054 662 HG2 PRO 84 2HG PRO 84 9.829 -11.407 -9.454 663 HG3 PRO 84 1HG PRO 84 9.554 -9.691 -9.124 664 HD2 PRO 84 2HD PRO 84 8.161 -12.062 -8.047 665 HD3 PRO 84 1HD PRO 84 8.310 -10.428 -7.368 666 H ALA 85 HN ALA 85 7.758 -13.045 -9.599 667 HA ALA 85 HA ALA 85 6.188 -14.488 -11.625 668 HB1 ALA 85 1HB ALA 85 8.623 -14.649 -11.879 669 HB2 ALA 85 2HB ALA 85 7.902 -16.221 -11.526 670 HB3 ALA 85 3HB ALA 85 8.742 -15.330 -10.258 671 H THR 86 HN THR 86 5.675 -13.698 -8.656 672 HA THR 86 HA THR 86 4.640 -16.329 -7.888 673 HB THR 86 HB THR 86 5.132 -15.393 -5.445 674 HG1 THR 86 1HG THR 86 7.570 -14.598 -6.332 675 HG21 THR 86 3HG2 THR 86 7.165 -16.750 -5.415 676 HG22 THR 86 1HG2 THR 86 7.216 -16.724 -7.178 677 HG23 THR 86 2HG2 THR 86 5.893 -17.542 -6.346 678 HA PRO 87 HA PRO 87 0.870 -14.189 -7.176 679 HB2 PRO 87 2HB PRO 87 0.205 -15.973 -4.962 680 HB3 PRO 87 1HB PRO 87 -0.502 -15.890 -6.577 681 HG2 PRO 87 2HG PRO 87 1.027 -17.969 -5.772 682 HG3 PRO 87 1HG PRO 87 0.987 -17.404 -7.453 683 HD2 PRO 87 2HD PRO 87 3.026 -16.859 -5.323 684 HD3 PRO 87 1HD PRO 87 3.271 -17.265 -7.035 685 H ALA 88 HN ALA 88 -0.580 -13.361 -5.360 686 HA ALA 88 HA ALA 88 1.070 -11.741 -3.622 687 HB1 ALA 88 1HB ALA 88 -1.001 -10.577 -3.080 688 HB2 ALA 88 2HB ALA 88 -1.927 -11.787 -3.966 689 HB3 ALA 88 3HB ALA 88 -0.805 -10.731 -4.825 690 H ARG 89 HN ARG 89 1.895 -13.195 -2.140 691 HA ARG 89 HA ARG 89 -0.002 -14.032 -0.073 692 HB2 ARG 89 2HB ARG 89 1.049 -16.213 0.144 693 HB3 ARG 89 1HB ARG 89 0.468 -16.009 -1.502 694 HG2 ARG 89 2HG ARG 89 2.688 -15.576 -2.299 695 HG3 ARG 89 1HG ARG 89 3.324 -15.567 -0.653 696 HD2 ARG 89 2HD ARG 89 2.622 -17.936 -0.425 697 HD3 ARG 89 1HD ARG 89 2.118 -17.913 -2.114 698 HE ARG 89 HE ARG 89 4.767 -17.082 -2.049 699 HH11 ARG 89 1HH1 ARG 89 2.932 -19.948 -1.234 700 HH12 ARG 89 2HH1 ARG 89 4.240 -21.041 -1.585 701 HH21 ARG 89 1HH2 ARG 89 6.495 -18.509 -2.519 702 HH22 ARG 89 2HH2 ARG 89 6.255 -20.222 -2.332 703 HA PRO 90 HA PRO 90 3.162 -12.400 2.626 704 HB2 PRO 90 2HB PRO 90 2.260 -14.384 4.608 705 HB3 PRO 90 1HB PRO 90 2.242 -12.620 4.702 706 HG2 PRO 90 2HG PRO 90 -0.018 -14.042 4.418 707 HG3 PRO 90 1HG PRO 90 0.189 -12.450 3.666 708 HD2 PRO 90 2HD PRO 90 0.393 -15.170 2.430 709 HD3 PRO 90 1HD PRO 90 -0.340 -13.688 1.780 710 H SER 91 HN SER 91 5.137 -13.033 1.958 711 HA SER 91 HA SER 91 5.834 -15.857 1.924 712 HB2 SER 91 2HB SER 91 7.518 -13.477 1.123 713 HB3 SER 91 1HB SER 91 7.766 -15.164 0.669 714 HG SER 91 HG SER 91 5.466 -13.643 -0.006 715 H ALA 92 HN ALA 92 8.483 -15.922 2.502 716 HA ALA 92 HA ALA 92 8.518 -16.133 5.278 717 HB1 ALA 92 1HB ALA 92 10.884 -15.817 3.433 718 HB2 ALA 92 2HB ALA 92 10.060 -17.332 3.809 719 HB3 ALA 92 3HB ALA 92 10.923 -16.460 5.076 720 H GLU 93 HN GLU 93 9.636 -13.503 3.202 721 HA GLU 93 HA GLU 93 10.688 -11.981 5.374 722 HB2 GLU 93 2HB GLU 93 10.850 -10.138 3.721 723 HB3 GLU 93 1HB GLU 93 11.622 -11.626 3.196 724 HG2 GLU 93 2HG GLU 93 9.715 -12.124 1.770 725 HG3 GLU 93 1HG GLU 93 8.915 -10.650 2.317 726 H ASP 94 HN ASP 94 7.658 -11.824 3.497 727 HA ASP 94 HA ASP 94 6.642 -9.477 4.630 728 HB2 ASP 94 2HB ASP 94 5.024 -11.864 3.704 729 HB3 ASP 94 1HB ASP 94 4.442 -10.217 3.879 730 H LYS 95 HN LYS 95 6.466 -12.816 5.694 731 HA LYS 95 HA LYS 95 4.658 -12.514 7.826 732 HB2 LYS 95 2HB LYS 95 5.746 -14.626 6.682 733 HB3 LYS 95 1HB LYS 95 6.946 -14.447 7.947 734 HG2 LYS 95 2HG LYS 95 3.999 -14.732 8.475 735 HG3 LYS 95 1HG LYS 95 5.117 -16.090 8.412 736 HD2 LYS 95 2HD LYS 95 6.446 -14.853 10.210 737 HD3 LYS 95 1HD LYS 95 5.018 -13.834 10.393 738 HE2 LYS 95 2HE LYS 95 5.154 -16.827 10.752 739 HE3 LYS 95 1HE LYS 95 4.969 -15.623 12.025 740 HZ1 LYS 95 3HZ LYS 95 2.827 -15.013 11.111 741 HZ2 LYS 95 1HZ LYS 95 2.867 -16.677 11.448 742 HZ3 LYS 95 2HZ LYS 95 3.015 -16.133 9.852 743 H ARG 96 HN ARG 96 8.180 -12.224 7.663 744 HA ARG 96 HA ARG 96 8.494 -11.736 10.469 745 HB2 ARG 96 2HB ARG 96 10.389 -11.456 8.140 746 HB3 ARG 96 1HB ARG 96 10.846 -11.149 9.808 747 HG2 ARG 96 2HG ARG 96 10.261 -13.470 10.378 748 HG3 ARG 96 1HG ARG 96 9.881 -13.769 8.680 749 HD2 ARG 96 2HD ARG 96 12.156 -14.518 9.329 750 HD3 ARG 96 1HD ARG 96 12.156 -13.315 8.039 751 HE ARG 96 HE ARG 96 12.472 -12.288 10.734 752 HH11 ARG 96 1HH1 ARG 96 14.083 -13.405 7.833 753 HH12 ARG 96 2HH1 ARG 96 15.530 -12.481 8.127 754 HH21 ARG 96 1HH2 ARG 96 14.342 -11.085 11.133 755 HH22 ARG 96 2HH2 ARG 96 15.674 -11.157 10.014 756 H LEU 97 HN LEU 97 8.136 -9.747 7.605 757 HA LEU 97 HA LEU 97 9.013 -7.341 8.932 758 HB2 LEU 97 2HB LEU 97 7.751 -7.773 6.225 759 HB3 LEU 97 1HB LEU 97 8.401 -6.252 6.799 760 HG LEU 97 HG LEU 97 9.971 -8.782 6.292 761 HD11 LEU 97 1HD1 LEU 97 9.963 -6.125 4.873 762 HD12 LEU 97 2HD1 LEU 97 9.295 -7.637 4.257 763 HD13 LEU 97 3HD1 LEU 97 11.032 -7.483 4.521 764 HD21 LEU 97 3HD2 LEU 97 10.927 -6.080 7.237 765 HD22 LEU 97 1HD2 LEU 97 11.952 -7.451 6.809 766 HD23 LEU 97 2HD2 LEU 97 10.873 -7.554 8.202 767 H ALA 98 HN ALA 98 6.469 -8.972 9.619 768 HA ALA 98 HA ALA 98 4.353 -7.069 9.409 769 HB1 ALA 98 1HB ALA 98 4.667 -9.479 11.196 770 HB2 ALA 98 2HB ALA 98 3.853 -9.433 9.632 771 HB3 ALA 98 3HB ALA 98 3.183 -8.545 11.002 772 H PHE 99 HN PHE 99 5.025 -5.141 10.243 773 HA PHE 99 HA PHE 99 6.094 -5.105 12.978 774 HB2 PHE 99 2HB PHE 99 6.136 -2.948 10.861 775 HB3 PHE 99 1HB PHE 99 6.859 -2.823 12.460 776 HD1 PHE 99 1HD PHE 99 8.299 -5.233 12.878 777 HD2 PHE 99 2HD PHE 99 7.754 -3.071 9.254 778 HE1 PHE 99 1HE PHE 99 10.401 -6.168 12.007 779 HE2 PHE 99 2HE PHE 99 9.851 -4.007 8.375 780 HZ PHE 99 HZ PHE 99 11.179 -5.558 9.752 781 H ASP 100 HN ASP 100 3.388 -4.078 11.060 782 HA ASP 100 HA ASP 100 2.227 -2.810 13.430 783 HB2 ASP 100 2HB ASP 100 2.972 -1.448 10.966 784 HB3 ASP 100 1HB ASP 100 1.269 -1.237 11.359 785 HA PRO 101 HA PRO 101 -0.711 -5.863 11.699 786 HB2 PRO 101 2HB PRO 101 -1.995 -6.222 14.093 787 HB3 PRO 101 1HB PRO 101 -0.550 -7.113 13.603 788 HG2 PRO 101 2HG PRO 101 -0.791 -4.723 15.385 789 HG3 PRO 101 1HG PRO 101 0.220 -6.167 15.578 790 HD2 PRO 101 2HD PRO 101 1.220 -3.833 14.682 791 HD3 PRO 101 1HD PRO 101 1.818 -5.398 14.093 792 H SER 102 HN SER 102 -1.027 -2.733 12.880 793 HA SER 102 HA SER 102 -3.931 -2.673 12.593 794 HB2 SER 102 2HB SER 102 -2.070 -0.398 13.307 795 HB3 SER 102 1HB SER 102 -3.821 -0.454 13.517 796 HG SER 102 HG SER 102 -1.818 -1.497 15.082 797 H LEU 103 HN LEU 103 -1.353 -2.555 10.594 798 HA LEU 103 HA LEU 103 -2.578 -0.597 8.776 799 HB2 LEU 103 2HB LEU 103 0.185 -1.809 8.822 800 HB3 LEU 103 1HB LEU 103 -0.414 -0.813 7.509 801 HG LEU 103 HG LEU 103 -0.007 0.074 10.368 802 HD11 LEU 103 1HD1 LEU 103 2.084 -0.240 9.188 803 HD12 LEU 103 2HD1 LEU 103 1.758 1.481 9.396 804 HD13 LEU 103 3HD1 LEU 103 1.488 0.714 7.830 805 HD21 LEU 103 3HD2 LEU 103 -0.928 1.618 7.944 806 HD22 LEU 103 1HD2 LEU 103 -0.527 2.316 9.514 807 HD23 LEU 103 2HD2 LEU 103 -1.900 1.220 9.362 808 H SER 104 HN SER 104 -3.037 -1.182 6.641 809 HA SER 104 HA SER 104 -3.491 -4.018 6.237 810 HB2 SER 104 2HB SER 104 -4.199 -1.618 4.534 811 HB3 SER 104 1HB SER 104 -4.651 -3.282 4.163 812 HG SER 104 HG SER 104 -5.918 -3.335 5.987 813 H TYR 105 HN TYR 105 -1.985 -5.250 5.395 814 HA TYR 105 HA TYR 105 0.154 -4.118 3.788 815 HB2 TYR 105 2HB TYR 105 -0.367 -6.842 4.971 816 HB3 TYR 105 1HB TYR 105 0.897 -6.597 3.773 817 HD1 TYR 105 2HD TYR 105 -0.250 -5.018 6.984 818 HD2 TYR 105 1HD TYR 105 3.020 -6.287 4.570 819 HE1 TYR 105 2HE TYR 105 1.315 -4.365 8.768 820 HE2 TYR 105 1HE TYR 105 4.591 -5.635 6.344 821 HH TYR 105 HH TYR 105 4.783 -4.375 8.268 822 H LEU 106 HN LEU 106 -0.427 -3.697 1.734 823 HA LEU 106 HA LEU 106 -2.164 -5.578 0.333 824 HB2 LEU 106 2HB LEU 106 -1.165 -2.818 -0.309 825 HB3 LEU 106 1HB LEU 106 -1.861 -3.832 -1.558 826 HG LEU 106 HG LEU 106 -3.923 -4.007 -0.076 827 HD11 LEU 106 1HD1 LEU 106 -2.909 -3.250 2.008 828 HD12 LEU 106 2HD1 LEU 106 -4.268 -2.227 1.545 829 HD13 LEU 106 3HD1 LEU 106 -2.616 -1.663 1.295 830 HD21 LEU 106 3HD2 LEU 106 -4.784 -1.836 -0.825 831 HD22 LEU 106 1HD2 LEU 106 -3.874 -2.664 -2.090 832 HD23 LEU 106 2HD2 LEU 106 -3.140 -1.325 -1.207 833 H ILE 107 HN ILE 107 -1.500 -6.936 -1.211 834 HA ILE 107 HA ILE 107 1.338 -6.792 -1.985 835 HB ILE 107 HB ILE 107 -0.281 -9.332 -1.687 836 HG12 ILE 107 2HG1 ILE 107 1.913 -8.223 0.085 837 HG13 ILE 107 1HG1 ILE 107 0.202 -8.258 0.496 838 HG21 ILE 107 1HG2 ILE 107 1.452 -9.487 -3.389 839 HG22 ILE 107 2HG2 ILE 107 1.894 -10.445 -1.976 840 HG23 ILE 107 3HG2 ILE 107 2.652 -8.877 -2.248 841 HD11 ILE 107 3HD1 ILE 107 0.246 -10.698 0.433 842 HD12 ILE 107 1HD1 ILE 107 1.402 -10.048 1.595 843 HD13 ILE 107 2HD1 ILE 107 1.963 -10.652 0.036 844 H ILE 108 HN ILE 108 1.741 -6.691 -4.077 845 HA ILE 108 HA ILE 108 -0.533 -6.923 -5.925 846 HB ILE 108 HB ILE 108 2.108 -5.497 -6.311 847 HG12 ILE 108 2HG1 ILE 108 -0.658 -4.368 -5.816 848 HG13 ILE 108 1HG1 ILE 108 0.640 -4.429 -4.628 849 HG21 ILE 108 1HG2 ILE 108 1.164 -6.316 -8.410 850 HG22 ILE 108 2HG2 ILE 108 1.075 -4.556 -8.320 851 HG23 ILE 108 3HG2 ILE 108 -0.368 -5.527 -8.035 852 HD11 ILE 108 3HD1 ILE 108 1.986 -2.953 -6.025 853 HD12 ILE 108 1HD1 ILE 108 0.440 -2.220 -5.601 854 HD13 ILE 108 2HD1 ILE 108 0.683 -2.892 -7.212 855 H SER 109 HN SER 109 -0.582 -8.563 -7.296 856 HA SER 109 HA SER 109 1.861 -10.149 -7.661 857 HB2 SER 109 2HB SER 109 -0.080 -11.375 -6.766 858 HB3 SER 109 1HB SER 109 -1.032 -10.899 -8.171 859 HG SER 109 HG SER 109 -0.256 -12.921 -8.595 860 H LEU 110 HN LEU 110 2.959 -9.657 -9.437 861 HA LEU 110 HA LEU 110 1.483 -8.918 -11.861 862 HB2 LEU 110 2HB LEU 110 4.415 -8.703 -11.173 863 HB3 LEU 110 1HB LEU 110 3.758 -8.345 -12.760 864 HG LEU 110 HG LEU 110 3.221 -6.854 -10.190 865 HD11 LEU 110 1HD1 LEU 110 5.331 -6.333 -11.279 866 HD12 LEU 110 2HD1 LEU 110 4.204 -4.980 -11.376 867 HD13 LEU 110 3HD1 LEU 110 4.477 -6.003 -12.786 868 HD21 LEU 110 3HD2 LEU 110 1.144 -7.029 -11.455 869 HD22 LEU 110 1HD2 LEU 110 1.965 -6.445 -12.902 870 HD23 LEU 110 2HD2 LEU 110 1.776 -5.384 -11.506 871 H ALA 111 HN ALA 111 2.146 -11.628 -10.449 872 HA ALA 111 HA ALA 111 3.546 -13.206 -12.329 873 HB1 ALA 111 1HB ALA 111 3.115 -13.948 -10.034 874 HB2 ALA 111 2HB ALA 111 2.529 -15.121 -11.213 875 HB3 ALA 111 3HB ALA 111 1.390 -14.055 -10.392 876 H GLU 112 HN GLU 112 0.335 -11.965 -12.184 877 HA GLU 112 HA GLU 112 -0.308 -13.334 -14.705 878 HB2 GLU 112 2HB GLU 112 -1.791 -13.930 -12.770 879 HB3 GLU 112 1HB GLU 112 -2.285 -12.244 -12.694 880 HG2 GLU 112 2HG GLU 112 -3.888 -13.685 -13.889 881 HG3 GLU 112 1HG GLU 112 -3.255 -12.368 -14.879 882 HA PRO 113 HA PRO 113 0.440 -8.919 -15.579 883 HB2 PRO 113 2HB PRO 113 1.177 -9.259 -18.168 884 HB3 PRO 113 1HB PRO 113 2.279 -9.517 -16.811 885 HG2 PRO 113 2HG PRO 113 0.714 -11.525 -18.389 886 HG3 PRO 113 1HG PRO 113 2.401 -11.598 -17.843 887 HD2 PRO 113 2HD PRO 113 0.403 -12.889 -16.557 888 HD3 PRO 113 1HD PRO 113 1.812 -12.227 -15.704 889 H GLN 114 HN GLN 114 -1.715 -11.150 -17.031 890 HA GLN 114 HA GLN 114 -2.973 -9.208 -18.770 891 HB2 GLN 114 2HB GLN 114 -4.393 -10.974 -19.484 892 HB3 GLN 114 1HB GLN 114 -2.801 -11.685 -19.284 893 HG2 GLN 114 2HG GLN 114 -3.512 -12.505 -17.052 894 HG3 GLN 114 1HG GLN 114 -5.133 -11.904 -17.400 895 HE21 GLN 114 1HE2 GLN 114 -2.760 -14.319 -18.081 896 HE22 GLN 114 2HE2 GLN 114 -3.789 -15.370 -19.003 897 H LYS 115 HN LYS 115 -3.217 -10.254 -15.538 898 HA LYS 115 HA LYS 115 -5.589 -8.611 -15.132 899 HB2 LYS 115 2HB LYS 115 -6.193 -11.103 -15.487 900 HB3 LYS 115 1HB LYS 115 -5.450 -11.368 -13.919 901 HG2 LYS 115 2HG LYS 115 -7.635 -11.145 -13.313 902 HG3 LYS 115 1HG LYS 115 -7.101 -9.470 -13.169 903 HD2 LYS 115 2HD LYS 115 -8.315 -10.538 -15.704 904 HD3 LYS 115 1HD LYS 115 -9.309 -9.911 -14.390 905 HE2 LYS 115 2HE LYS 115 -7.072 -8.325 -15.622 906 HE3 LYS 115 1HE LYS 115 -8.712 -8.301 -16.269 907 HZ1 LYS 115 3HZ LYS 115 -8.343 -6.463 -14.755 908 HZ2 LYS 115 1HZ LYS 115 -7.927 -7.534 -13.504 909 HZ3 LYS 115 2HZ LYS 115 -9.507 -7.521 -14.122 910 HA PRO 116 HA PRO 116 -2.171 -7.862 -12.122 911 HB2 PRO 116 2HB PRO 116 -3.568 -5.265 -11.945 912 HB3 PRO 116 1HB PRO 116 -1.858 -5.604 -12.221 913 HG2 PRO 116 2HG PRO 116 -3.434 -4.721 -14.194 914 HG3 PRO 116 1HG PRO 116 -2.144 -5.901 -14.497 915 HD2 PRO 116 2HD PRO 116 -5.095 -6.330 -14.251 916 HD3 PRO 116 1HD PRO 116 -3.934 -7.087 -15.361 917 H VAL 117 HN VAL 117 -2.594 -8.854 -10.257 918 HA VAL 117 HA VAL 117 -5.163 -8.355 -8.944 919 HB VAL 117 HB VAL 117 -3.110 -10.500 -8.361 920 HG11 VAL 117 1HG1 VAL 117 -4.907 -11.541 -7.035 921 HG12 VAL 117 2HG1 VAL 117 -5.915 -10.121 -7.313 922 HG13 VAL 117 3HG1 VAL 117 -4.419 -9.974 -6.389 923 HG21 VAL 117 3HG2 VAL 117 -4.717 -12.036 -9.406 924 HG22 VAL 117 1HG2 VAL 117 -4.122 -10.827 -10.544 925 HG23 VAL 117 2HG2 VAL 117 -5.732 -10.662 -9.842 926 H CYS 118 HN CYS 118 -5.253 -6.996 -7.315 927 HA CYS 118 HA CYS 118 -2.878 -6.625 -5.620 928 HB2 CYS 118 2HB CYS 118 -5.203 -4.731 -6.056 929 HB3 CYS 118 1HB CYS 118 -3.811 -4.428 -5.022 930 HG CYS 118 HG CYS 118 -3.584 -4.870 -8.409 931 H LYS 119 HN LYS 119 -3.044 -7.453 -3.631 932 HA LYS 119 HA LYS 119 -5.749 -8.092 -2.640 933 HB2 LYS 119 2HB LYS 119 -3.147 -9.449 -1.950 934 HB3 LYS 119 1HB LYS 119 -4.732 -9.901 -1.359 935 HG2 LYS 119 2HG LYS 119 -4.016 -9.949 -4.275 936 HG3 LYS 119 1HG LYS 119 -3.783 -11.327 -3.200 937 HD2 LYS 119 2HD LYS 119 -6.406 -9.951 -3.776 938 HD3 LYS 119 1HD LYS 119 -5.888 -11.512 -4.416 939 HE2 LYS 119 2HE LYS 119 -5.743 -12.364 -2.099 940 HE3 LYS 119 1HE LYS 119 -6.381 -10.825 -1.524 941 HZ1 LYS 119 3HZ LYS 119 -8.361 -11.256 -2.945 942 HZ2 LYS 119 1HZ LYS 119 -8.170 -12.360 -1.666 943 HZ3 LYS 119 2HZ LYS 119 -7.753 -12.810 -3.245 944 H SER 120 HN SER 120 -6.050 -8.006 -0.354 945 HA SER 120 HA SER 120 -4.195 -6.207 1.052 946 HB2 SER 120 2HB SER 120 -6.307 -5.029 0.358 947 HB3 SER 120 1HB SER 120 -7.202 -6.181 1.346 948 HG SER 120 HG SER 120 -6.853 -4.421 2.611 949 H PHE 121 HN PHE 121 -3.397 -7.148 2.789 950 HA PHE 121 HA PHE 121 -4.983 -9.271 4.065 951 HB2 PHE 121 2HB PHE 121 -1.995 -9.200 3.616 952 HB3 PHE 121 1HB PHE 121 -2.814 -10.380 4.632 953 HD1 PHE 121 1HD PHE 121 -4.729 -11.719 3.468 954 HD2 PHE 121 2HD PHE 121 -1.603 -9.701 1.406 955 HE1 PHE 121 1HE PHE 121 -5.102 -13.157 1.503 956 HE2 PHE 121 2HE PHE 121 -1.963 -11.133 -0.559 957 HZ PHE 121 HZ PHE 121 -3.718 -12.863 -0.514 958 H LEU 122 HN LEU 122 -5.299 -9.103 6.164 959 HA LEU 122 HA LEU 122 -3.882 -7.018 7.653 960 HB2 LEU 122 2HB LEU 122 -6.198 -8.778 8.488 961 HB3 LEU 122 1HB LEU 122 -5.544 -7.436 9.408 962 HG LEU 122 HG LEU 122 -6.890 -7.188 6.715 963 HD11 LEU 122 1HD1 LEU 122 -8.457 -7.865 8.464 964 HD12 LEU 122 2HD1 LEU 122 -8.744 -6.201 7.950 965 HD13 LEU 122 3HD1 LEU 122 -7.914 -6.525 9.472 966 HD21 LEU 122 3HD2 LEU 122 -6.876 -4.782 7.223 967 HD22 LEU 122 1HD2 LEU 122 -5.245 -5.441 7.092 968 HD23 LEU 122 2HD2 LEU 122 -5.936 -5.106 8.680 969 H ILE 123 HN ILE 123 -1.981 -7.700 8.429 970 HA ILE 123 HA ILE 123 -1.628 -10.516 9.028 971 HB ILE 123 HB ILE 123 0.412 -8.287 9.103 972 HG12 ILE 123 2HG1 ILE 123 -0.146 -10.399 7.001 973 HG13 ILE 123 1HG1 ILE 123 -0.483 -8.677 6.842 974 HG21 ILE 123 1HG2 ILE 123 0.721 -11.289 9.248 975 HG22 ILE 123 2HG2 ILE 123 1.037 -10.138 10.546 976 HG23 ILE 123 3HG2 ILE 123 2.051 -10.140 9.101 977 HD11 ILE 123 3HD1 ILE 123 1.910 -8.209 6.986 978 HD12 ILE 123 1HD1 ILE 123 1.529 -9.291 5.646 979 HD13 ILE 123 2HD1 ILE 123 2.233 -9.936 7.129 980 H LYS 124 HN LYS 124 -2.284 -11.168 10.911 981 HA LYS 124 HA LYS 124 -2.199 -9.442 13.242 982 HB2 LYS 124 2HB LYS 124 -3.247 -12.247 12.815 983 HB3 LYS 124 1HB LYS 124 -3.336 -11.386 14.347 984 HG2 LYS 124 2HG LYS 124 -4.746 -9.692 13.351 985 HG3 LYS 124 1HG LYS 124 -4.583 -10.451 11.767 986 HD2 LYS 124 2HD LYS 124 -5.855 -11.711 14.198 987 HD3 LYS 124 1HD LYS 124 -6.726 -11.005 12.835 988 HE2 LYS 124 2HE LYS 124 -5.568 -12.646 11.349 989 HE3 LYS 124 1HE LYS 124 -4.906 -13.408 12.795 990 HZ1 LYS 124 3HZ LYS 124 -7.778 -13.148 12.087 991 HZ2 LYS 124 1HZ LYS 124 -7.202 -13.784 13.551 992 HZ3 LYS 124 2HZ LYS 124 -6.862 -14.576 12.096 993 H LYS 125 HN LYS 125 -1.748 -11.203 15.262 994 HA LYS 125 HA LYS 125 1.017 -11.184 15.490 995 HB2 LYS 125 2HB LYS 125 -0.783 -11.385 17.304 996 HB3 LYS 125 1HB LYS 125 -0.738 -13.111 16.984 997 HG2 LYS 125 2HG LYS 125 1.554 -13.245 17.627 998 HG3 LYS 125 1HG LYS 125 1.673 -11.489 17.749 999 HD2 LYS 125 2HD LYS 125 -0.073 -11.589 19.545 1000 HD3 LYS 125 1HD LYS 125 0.071 -13.348 19.497 1001 HE2 LYS 125 2HE LYS 125 1.427 -12.317 21.284 1002 HE3 LYS 125 1HE LYS 125 2.394 -13.220 20.119 1003 HZ1 LYS 125 3HZ LYS 125 2.012 -10.275 20.016 1004 HZ2 LYS 125 1HZ LYS 125 3.082 -11.205 19.086 1005 HZ3 LYS 125 2HZ LYS 125 3.345 -11.033 20.749 1006 H ASP 126 HN ASP 126 -1.096 -13.982 14.928 1007 HA ASP 126 HA ASP 126 1.227 -15.337 13.712 1008 HB2 ASP 126 2HB ASP 126 0.489 -16.031 16.153 1009 HB3 ASP 126 1HB ASP 126 -0.734 -16.952 15.283 1010 H GLY 127 HN GLY 127 -1.643 -14.095 13.034 1011 HA2 GLY 127 2HA GLY 127 -2.251 -16.180 11.046 1012 HA3 GLY 127 1HA GLY 127 -3.543 -15.515 12.033 1013 H VAL 128 HN VAL 128 -3.657 -15.399 9.280 1014 HA VAL 128 HA VAL 128 -3.320 -12.505 8.824 1015 HB VAL 128 HB VAL 128 -2.965 -14.683 6.750 1016 HG11 VAL 128 1HG1 VAL 128 -2.337 -12.871 5.233 1017 HG12 VAL 128 2HG1 VAL 128 -2.730 -11.690 6.481 1018 HG13 VAL 128 3HG1 VAL 128 -4.000 -12.705 5.796 1019 HG21 VAL 128 3HG2 VAL 128 -0.945 -12.796 7.961 1020 HG22 VAL 128 1HG2 VAL 128 -0.630 -13.939 6.655 1021 HG23 VAL 128 2HG2 VAL 128 -1.058 -14.530 8.261 1022 H ASP 129 HN ASP 129 -5.153 -11.478 8.348 1023 HA ASP 129 HA ASP 129 -7.456 -13.096 7.497 1024 HB2 ASP 129 2HB ASP 129 -7.244 -10.557 9.061 1025 HB3 ASP 129 1HB ASP 129 -8.697 -10.860 8.113 1026 H GLU 130 HN GLU 130 -8.692 -12.507 5.738 1027 HA GLU 130 HA GLU 130 -7.246 -10.904 3.770 1028 HB2 GLU 130 2HB GLU 130 -7.896 -13.153 3.099 1029 HB3 GLU 130 1HB GLU 130 -9.577 -12.808 3.477 1030 HG2 GLU 130 2HG GLU 130 -9.682 -11.191 1.678 1031 HG3 GLU 130 1HG GLU 130 -7.972 -11.434 1.332 1032 H GLU 131 HN GLU 131 -7.828 -8.915 3.281 1033 HA GLU 131 HA GLU 131 -10.462 -7.922 4.096 1034 HB2 GLU 131 2HB GLU 131 -8.542 -6.605 4.839 1035 HB3 GLU 131 1HB GLU 131 -7.960 -6.467 3.188 1036 HG2 GLU 131 2HG GLU 131 -8.997 -4.404 3.903 1037 HG3 GLU 131 1HG GLU 131 -9.928 -5.143 2.603 1038 H GLU 132 HN GLU 132 -11.845 -6.871 2.602 1039 HA GLU 132 HA GLU 132 -11.570 -7.942 -0.085 1040 HB2 GLU 132 2HB GLU 132 -13.944 -7.198 -0.304 1041 HB3 GLU 132 1HB GLU 132 -13.670 -8.381 0.960 1042 HG2 GLU 132 2HG GLU 132 -13.623 -6.488 2.589 1043 HG3 GLU 132 1HG GLU 132 -14.125 -5.428 1.274 1044 H ILE 133 HN ILE 133 -11.923 -6.642 -1.956 1045 HA ILE 133 HA ILE 133 -10.776 -3.956 -1.575 1046 HB ILE 133 HB ILE 133 -10.633 -5.750 -4.008 1047 HG12 ILE 133 2HG1 ILE 133 -9.283 -6.593 -2.134 1048 HG13 ILE 133 1HG1 ILE 133 -8.260 -6.010 -3.441 1049 HG21 ILE 133 1HG2 ILE 133 -9.051 -4.124 -4.897 1050 HG22 ILE 133 2HG2 ILE 133 -9.261 -3.119 -3.463 1051 HG23 ILE 133 3HG2 ILE 133 -10.610 -3.363 -4.572 1052 HD11 ILE 133 3HD1 ILE 133 -7.394 -5.364 -1.262 1053 HD12 ILE 133 1HD1 ILE 133 -8.898 -4.511 -0.911 1054 HD13 ILE 133 2HD1 ILE 133 -7.849 -3.951 -2.213 1055 H ILE 134 HN ILE 134 -12.062 -2.308 -1.950 1056 HA ILE 134 HA ILE 134 -14.176 -2.578 -3.984 1057 HB ILE 134 HB ILE 134 -14.057 -0.833 -1.518 1058 HG12 ILE 134 2HG1 ILE 134 -16.368 -1.786 -1.186 1059 HG13 ILE 134 1HG1 ILE 134 -16.056 -2.858 -2.541 1060 HG21 ILE 134 1HG2 ILE 134 -15.965 -0.564 -3.835 1061 HG22 ILE 134 2HG2 ILE 134 -14.732 0.599 -3.350 1062 HG23 ILE 134 3HG2 ILE 134 -16.102 0.278 -2.289 1063 HD11 ILE 134 3HD1 ILE 134 -15.717 -3.944 -0.376 1064 HD12 ILE 134 1HD1 ILE 134 -14.458 -2.770 -0.002 1065 HD13 ILE 134 2HD1 ILE 134 -14.237 -3.899 -1.338 1066 H LEU 135 HN LEU 135 -13.935 -1.392 -5.785 1067 HA LEU 135 HA LEU 135 -11.758 0.589 -5.796 1068 HB2 LEU 135 2HB LEU 135 -12.780 -1.220 -7.978 1069 HB3 LEU 135 1HB LEU 135 -11.608 0.055 -8.238 1070 HG LEU 135 HG LEU 135 -11.211 -2.327 -6.430 1071 HD11 LEU 135 1HD1 LEU 135 -11.242 -2.949 -8.788 1072 HD12 LEU 135 2HD1 LEU 135 -9.616 -3.074 -8.116 1073 HD13 LEU 135 3HD1 LEU 135 -10.045 -1.702 -9.138 1074 HD21 LEU 135 3HD2 LEU 135 -9.339 -0.111 -7.253 1075 HD22 LEU 135 1HD2 LEU 135 -8.880 -1.552 -6.344 1076 HD23 LEU 135 2HD2 LEU 135 -9.999 -0.384 -5.640 1077 H LYS 136 HN LYS 136 -11.949 2.450 -7.058 1078 HA LYS 136 HA LYS 136 -14.619 3.081 -8.118 1079 HB2 LYS 136 2HB LYS 136 -12.768 4.888 -6.554 1080 HB3 LYS 136 1HB LYS 136 -14.151 5.471 -7.466 1081 HG2 LYS 136 2HG LYS 136 -15.623 4.074 -6.059 1082 HG3 LYS 136 1HG LYS 136 -14.212 3.599 -5.111 1083 HD2 LYS 136 2HD LYS 136 -13.843 5.874 -4.425 1084 HD3 LYS 136 1HD LYS 136 -15.123 6.447 -5.495 1085 HE2 LYS 136 2HE LYS 136 -15.463 4.656 -3.091 1086 HE3 LYS 136 1HE LYS 136 -15.907 6.360 -3.198 1087 HZ1 LYS 136 3HZ LYS 136 -17.137 4.068 -4.622 1088 HZ2 LYS 136 1HZ LYS 136 -17.411 5.683 -5.075 1089 HZ3 LYS 136 2HZ LYS 136 -17.874 5.147 -3.535 1090 H GLU 137 HN GLU 137 -14.644 4.211 -10.069 1091 HA GLU 137 HA GLU 137 -12.227 4.014 -11.616 1092 HB2 GLU 137 2HB GLU 137 -15.002 4.977 -12.267 1093 HB3 GLU 137 1HB GLU 137 -13.692 5.003 -13.422 1094 HG2 GLU 137 2HG GLU 137 -14.840 3.059 -13.939 1095 HG3 GLU 137 1HG GLU 137 -13.496 2.486 -12.956 1096 H GLU 138 HN GLU 138 -13.952 6.412 -9.945 1097 HA GLU 138 HA GLU 138 -12.095 8.477 -10.907 1098 HB2 GLU 138 2HB GLU 138 -14.449 8.744 -11.758 1099 HB3 GLU 138 1HB GLU 138 -14.972 8.936 -10.091 1100 HG2 GLU 138 2HG GLU 138 -14.729 11.078 -11.233 1101 HG3 GLU 138 1HG GLU 138 -13.623 10.932 -9.866 1102 H LEU 139 HN LEU 139 -11.726 10.224 -9.347 1103 HA LEU 139 HA LEU 139 -11.315 9.163 -6.700 1104 HB2 LEU 139 2HB LEU 139 -10.802 11.902 -7.862 1105 HB3 LEU 139 1HB LEU 139 -10.326 11.404 -6.252 1106 HG LEU 139 HG LEU 139 -9.314 10.159 -8.810 1107 HD11 LEU 139 1HD1 LEU 139 -8.526 12.448 -8.558 1108 HD12 LEU 139 2HD1 LEU 139 -7.215 11.301 -8.285 1109 HD13 LEU 139 3HD1 LEU 139 -7.991 12.095 -6.914 1110 HD21 LEU 139 3HD2 LEU 139 -8.476 9.781 -5.937 1111 HD22 LEU 139 1HD2 LEU 139 -7.668 9.089 -7.344 1112 HD23 LEU 139 2HD2 LEU 139 -9.315 8.600 -6.943 1113 H GLU 140 HN GLU 140 -11.762 10.922 -4.877 1114 HA GLU 140 HA GLU 140 -14.635 11.370 -4.882 1115 HB2 GLU 140 2HB GLU 140 -12.721 10.713 -2.912 1116 HB3 GLU 140 1HB GLU 140 -13.300 12.323 -2.511 1117 HG2 GLU 140 2HG GLU 140 -15.171 10.046 -3.076 1118 HG3 GLU 140 1HG GLU 140 -14.514 10.352 -1.470 1119 H HIS 141 HN HIS 141 -15.408 13.490 -3.971 1120 HA HIS 141 HA HIS 141 -15.655 15.746 -4.146 1121 HB2 HIS 141 2HB HIS 141 -12.688 15.940 -4.708 1122 HB3 HIS 141 1HB HIS 141 -13.751 17.232 -4.168 1123 HD1 HIS 141 1HD HIS 141 -15.131 15.750 -1.810 1124 HD2 HIS 141 2HD HIS 141 -11.042 15.699 -2.567 1125 HE1 HIS 141 1HE HIS 141 -14.040 15.215 0.391 1126 HE2 HIS 141 2HE HIS 141 -11.584 14.997 -0.138 1127 H HIS 142 HN HIS 142 -16.846 16.151 -5.893 1128 HA HIS 142 HA HIS 142 -15.897 15.357 -8.508 1129 HB2 HIS 142 2HB HIS 142 -18.494 16.619 -7.615 1130 HB3 HIS 142 1HB HIS 142 -18.156 16.117 -9.269 1131 HD1 HIS 142 1HD HIS 142 -17.760 13.485 -9.622 1132 HD2 HIS 142 2HD HIS 142 -19.372 14.632 -5.956 1133 HE1 HIS 142 1HE HIS 142 -18.704 11.386 -8.602 1134 HE2 HIS 142 2HE HIS 142 -19.490 12.070 -6.308 1135 H HIS 143 HN HIS 143 -14.731 17.728 -7.008 1136 HA HIS 143 HA HIS 143 -14.920 19.591 -9.276 1137 HB2 HIS 143 2HB HIS 143 -14.354 20.236 -6.376 1138 HB3 HIS 143 1HB HIS 143 -14.194 21.384 -7.700 1139 HD1 HIS 143 1HD HIS 143 -16.435 22.112 -8.900 1140 HD2 HIS 143 2HD HIS 143 -16.908 19.898 -5.412 1141 HE1 HIS 143 1HE HIS 143 -18.835 22.427 -8.216 1142 HE2 HIS 143 2HE HIS 143 -19.015 21.293 -5.974 1143 H HIS 144 HN HIS 144 -13.280 18.547 -10.399 1144 HA HIS 144 HA HIS 144 -10.597 18.886 -9.215 1145 HB2 HIS 144 2HB HIS 144 -11.654 16.752 -11.060 1146 HB3 HIS 144 1HB HIS 144 -9.931 17.083 -10.928 1147 HD1 HIS 144 1HD HIS 144 -12.441 14.954 -9.579 1148 HD2 HIS 144 2HD HIS 144 -9.106 16.899 -8.031 1149 HE1 HIS 144 1HE HIS 144 -11.844 13.713 -7.474 1150 HE2 HIS 144 2HE HIS 144 -9.965 15.043 -6.443 1151 H HIS 145 HN HIS 145 -12.233 20.794 -10.691 1152 HA HIS 145 HA HIS 145 -11.817 22.517 -12.110 1153 HB2 HIS 145 2HB HIS 145 -9.420 22.243 -11.503 1154 HB3 HIS 145 1HB HIS 145 -9.241 21.082 -12.811 1155 HD1 HIS 145 1HD HIS 145 -10.249 24.732 -12.382 1156 HD2 HIS 145 2HD HIS 145 -8.408 22.199 -15.119 1157 HE1 HIS 145 1HE HIS 145 -9.482 26.208 -14.266 1158 HE2 HIS 145 2HE HIS 145 -8.590 24.617 -16.010 1159 H HIS 146 HN HIS 146 -12.965 19.787 -12.780 1160 HA HIS 146 HA HIS 146 -13.637 20.516 -15.478 1161 HB2 HIS 146 2HB HIS 146 -11.551 19.055 -15.682 1162 HB3 HIS 146 1HB HIS 146 -12.535 17.730 -15.066 1163 HD1 HIS 146 1HD HIS 146 -14.090 16.573 -16.713 1164 HD2 HIS 146 2HD HIS 146 -12.348 20.025 -18.245 1165 HE1 HIS 146 1HE HIS 146 -14.655 16.587 -19.162 1166 HE2 HIS 146 2HE HIS 146 -13.441 18.592 -20.099 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -14.274 -2.341 4.386 2 H2 MET 1 H2 MET 1 -12.934 -3.010 5.164 3 H3 MET 1 H3 MET 1 -14.227 -4.003 4.718 4 HA MET 1 HA MET 1 -12.411 -4.310 3.206 5 HB2 MET 1 2HB MET 1 -13.596 -4.065 1.169 6 HB3 MET 1 1HB MET 1 -14.830 -4.294 2.398 7 HG2 MET 1 2HG MET 1 -14.009 -1.663 1.179 8 HG3 MET 1 1HG MET 1 -15.469 -2.576 0.800 9 HE1 MET 1 2HE MET 1 -16.807 0.574 2.743 10 HE2 MET 1 3HE MET 1 -16.851 -0.330 1.227 11 HE3 MET 1 1HE MET 1 -15.391 0.539 1.694 12 H ILE 2 HN ILE 2 -11.130 -3.371 1.431 13 HA ILE 2 HA ILE 2 -10.362 -0.623 2.084 14 HB ILE 2 HB ILE 2 -8.513 -2.168 2.164 15 HG12 ILE 2 2HG1 ILE 2 -8.349 -0.503 -0.354 16 HG13 ILE 2 1HG1 ILE 2 -8.108 0.107 1.278 17 HG21 ILE 2 1HG2 ILE 2 -9.355 -3.926 0.739 18 HG22 ILE 2 2HG2 ILE 2 -7.765 -3.408 0.176 19 HG23 ILE 2 3HG2 ILE 2 -9.217 -2.884 -0.676 20 HD11 ILE 2 3HD1 ILE 2 -6.166 -1.345 1.533 21 HD12 ILE 2 1HD1 ILE 2 -5.997 -0.255 0.158 22 HD13 ILE 2 2HD1 ILE 2 -6.408 -1.948 -0.109 23 H THR 3 HN THR 3 -10.630 1.012 0.702 24 HA THR 3 HA THR 3 -11.717 0.358 -1.955 25 HB THR 3 HB THR 3 -12.536 2.729 -0.270 26 HG1 THR 3 1HG THR 3 -13.126 0.490 0.499 27 HG21 THR 3 3HG2 THR 3 -12.855 3.003 -2.675 28 HG22 THR 3 1HG2 THR 3 -14.406 2.853 -1.850 29 HG23 THR 3 2HG2 THR 3 -13.743 1.483 -2.740 30 H LEU 4 HN LEU 4 -10.644 1.199 -3.596 31 HA LEU 4 HA LEU 4 -9.453 3.824 -3.361 32 HB2 LEU 4 2HB LEU 4 -7.305 3.080 -4.370 33 HB3 LEU 4 1HB LEU 4 -7.557 2.552 -2.723 34 HG LEU 4 HG LEU 4 -8.438 0.360 -3.971 35 HD11 LEU 4 1HD1 LEU 4 -8.109 1.281 -6.206 36 HD12 LEU 4 2HD1 LEU 4 -7.079 -0.121 -5.925 37 HD13 LEU 4 3HD1 LEU 4 -6.393 1.502 -5.864 38 HD21 LEU 4 3HD2 LEU 4 -6.200 -0.584 -3.665 39 HD22 LEU 4 1HD2 LEU 4 -6.672 0.431 -2.302 40 HD23 LEU 4 2HD2 LEU 4 -5.539 1.043 -3.506 41 H THR 5 HN THR 5 -8.611 4.527 -5.565 42 HA THR 5 HA THR 5 -10.769 3.818 -7.415 43 HB THR 5 HB THR 5 -10.420 5.960 -8.458 44 HG1 THR 5 1HG THR 5 -8.685 7.293 -7.221 45 HG21 THR 5 3HG2 THR 5 -10.232 6.236 -5.455 46 HG22 THR 5 1HG2 THR 5 -11.712 5.948 -6.371 47 HG23 THR 5 2HG2 THR 5 -10.832 7.463 -6.572 48 H LYS 6 HN LYS 6 -10.187 4.015 -9.789 49 HA LYS 6 HA LYS 6 -8.235 2.208 -10.575 50 HB2 LYS 6 2HB LYS 6 -9.647 4.436 -12.015 51 HB3 LYS 6 1HB LYS 6 -8.420 3.478 -12.829 52 HG2 LYS 6 2HG LYS 6 -10.838 2.287 -11.498 53 HG3 LYS 6 1HG LYS 6 -10.775 2.737 -13.205 54 HD2 LYS 6 2HD LYS 6 -8.861 1.216 -13.515 55 HD3 LYS 6 1HD LYS 6 -8.978 0.744 -11.818 56 HE2 LYS 6 2HE LYS 6 -11.186 -0.166 -12.189 57 HE3 LYS 6 1HE LYS 6 -11.172 0.400 -13.857 58 HZ1 LYS 6 3HZ LYS 6 -10.657 -1.964 -13.684 59 HZ2 LYS 6 1HZ LYS 6 -9.310 -1.617 -12.715 60 HZ3 LYS 6 2HZ LYS 6 -9.349 -1.100 -14.328 61 H LYS 7 HN LYS 7 -8.077 5.713 -10.282 62 HA LYS 7 HA LYS 7 -5.562 6.164 -11.396 63 HB2 LYS 7 2HB LYS 7 -7.490 7.743 -10.581 64 HB3 LYS 7 1HB LYS 7 -6.615 7.729 -9.062 65 HG2 LYS 7 2HG LYS 7 -5.378 8.522 -11.676 66 HG3 LYS 7 1HG LYS 7 -6.152 9.649 -10.568 67 HD2 LYS 7 2HD LYS 7 -4.529 8.620 -8.813 68 HD3 LYS 7 1HD LYS 7 -3.622 8.099 -10.237 69 HE2 LYS 7 2HE LYS 7 -2.737 10.203 -9.535 70 HE3 LYS 7 1HE LYS 7 -3.644 10.469 -11.025 71 HZ1 LYS 7 3HZ LYS 7 -4.641 10.996 -8.275 72 HZ2 LYS 7 1HZ LYS 7 -5.509 11.269 -9.710 73 HZ3 LYS 7 2HZ LYS 7 -4.113 12.175 -9.372 74 H GLN 8 HN GLN 8 -6.492 5.496 -8.017 75 HA GLN 8 HA GLN 8 -3.903 5.712 -6.901 76 HB2 GLN 8 2HB GLN 8 -6.055 3.834 -5.901 77 HB3 GLN 8 1HB GLN 8 -4.799 4.631 -4.969 78 HG2 GLN 8 2HG GLN 8 -7.152 5.970 -6.278 79 HG3 GLN 8 1HG GLN 8 -6.972 5.623 -4.561 80 HE21 GLN 8 1HE2 GLN 8 -5.621 6.875 -3.326 81 HE22 GLN 8 2HE2 GLN 8 -4.990 8.388 -3.877 82 H MET 9 HN MET 9 -5.706 2.968 -8.231 83 HA MET 9 HA MET 9 -3.764 0.988 -7.752 84 HB2 MET 9 2HB MET 9 -6.070 0.441 -8.383 85 HB3 MET 9 1HB MET 9 -5.824 1.166 -9.963 86 HG2 MET 9 2HG MET 9 -5.716 -1.223 -10.131 87 HG3 MET 9 1HG MET 9 -4.130 -0.533 -10.468 88 HE1 MET 9 3HE MET 9 -6.349 -2.519 -7.926 89 HE2 MET 9 1HE MET 9 -5.902 -1.104 -6.968 90 HE3 MET 9 2HE MET 9 -5.266 -2.694 -6.547 91 H GLU 10 HN GLU 10 -4.339 3.095 -10.548 92 HA GLU 10 HA GLU 10 -2.292 2.192 -12.203 93 HB2 GLU 10 2HB GLU 10 -3.683 4.842 -11.868 94 HB3 GLU 10 1HB GLU 10 -2.473 4.588 -13.097 95 HG2 GLU 10 2HG GLU 10 -4.985 2.973 -12.822 96 HG3 GLU 10 1HG GLU 10 -4.786 4.342 -13.913 97 H GLU 11 HN GLU 11 -2.293 4.720 -9.712 98 HA GLU 11 HA GLU 11 0.329 5.609 -10.053 99 HB2 GLU 11 2HB GLU 11 -1.753 5.781 -7.984 100 HB3 GLU 11 1HB GLU 11 -0.122 5.981 -7.385 101 HG2 GLU 11 2HG GLU 11 0.173 7.702 -9.244 102 HG3 GLU 11 1HG GLU 11 -1.576 7.624 -9.426 103 H MET 12 HN MET 12 -0.943 3.005 -8.005 104 HA MET 12 HA MET 12 1.604 2.294 -6.943 105 HB2 MET 12 2HB MET 12 -0.975 0.729 -7.143 106 HB3 MET 12 1HB MET 12 0.445 0.175 -6.270 107 HG2 MET 12 2HG MET 12 0.295 2.156 -4.818 108 HG3 MET 12 1HG MET 12 -1.168 2.643 -5.667 109 HE1 MET 12 3HE MET 12 -3.603 -0.311 -4.774 110 HE2 MET 12 1HE MET 12 -2.560 -0.152 -6.188 111 HE3 MET 12 2HE MET 12 -3.458 1.244 -5.592 112 H LEU 13 HN LEU 13 -0.392 0.994 -9.572 113 HA LEU 13 HA LEU 13 1.217 -1.164 -10.280 114 HB2 LEU 13 2HB LEU 13 -0.714 0.518 -11.841 115 HB3 LEU 13 1HB LEU 13 0.125 -0.825 -12.583 116 HG LEU 13 HG LEU 13 -1.794 -0.969 -10.259 117 HD11 LEU 13 1HD1 LEU 13 -2.890 -0.643 -12.397 118 HD12 LEU 13 2HD1 LEU 13 -3.152 -2.288 -11.818 119 HD13 LEU 13 3HD1 LEU 13 -1.974 -1.980 -13.093 120 HD21 LEU 13 3HD2 LEU 13 -1.497 -3.389 -10.379 121 HD22 LEU 13 1HD2 LEU 13 0.017 -2.581 -9.975 122 HD23 LEU 13 2HD2 LEU 13 -0.253 -3.182 -11.611 123 H ALA 14 HN ALA 14 1.298 2.186 -11.477 124 HA ALA 14 HA ALA 14 3.264 1.769 -13.446 125 HB1 ALA 14 1HB ALA 14 1.865 3.781 -13.347 126 HB2 ALA 14 2HB ALA 14 3.582 4.181 -13.414 127 HB3 ALA 14 3HB ALA 14 2.710 4.288 -11.886 128 H HIS 15 HN HIS 15 3.544 2.777 -10.052 129 HA HIS 15 HA HIS 15 6.368 2.994 -10.059 130 HB2 HIS 15 2HB HIS 15 4.707 3.856 -8.286 131 HB3 HIS 15 1HB HIS 15 4.741 2.219 -7.639 132 HD1 HIS 15 1HD HIS 15 6.827 5.299 -7.996 133 HD2 HIS 15 2HD HIS 15 7.095 1.516 -6.279 134 HE1 HIS 15 1HE HIS 15 8.854 5.370 -6.504 135 HE2 HIS 15 2HE HIS 15 8.837 3.164 -5.293 136 H ALA 16 HN ALA 16 4.158 0.320 -9.443 137 HA ALA 16 HA ALA 16 6.014 -1.574 -8.533 138 HB1 ALA 16 1HB ALA 16 3.604 -1.917 -8.364 139 HB2 ALA 16 2HB ALA 16 4.375 -3.255 -9.217 140 HB3 ALA 16 3HB ALA 16 3.492 -2.027 -10.123 141 H ARG 17 HN ARG 17 4.780 -0.986 -11.816 142 HA ARG 17 HA ARG 17 6.364 -2.919 -13.102 143 HB2 ARG 17 2HB ARG 17 5.044 -0.402 -14.085 144 HB3 ARG 17 1HB ARG 17 5.944 -1.465 -15.158 145 HG2 ARG 17 2HG ARG 17 3.696 -2.474 -13.452 146 HG3 ARG 17 1HG ARG 17 3.424 -1.761 -15.037 147 HD2 ARG 17 2HD ARG 17 3.527 -4.139 -15.289 148 HD3 ARG 17 1HD ARG 17 4.974 -3.439 -16.007 149 HE ARG 17 HE ARG 17 5.512 -4.162 -13.344 150 HH11 ARG 17 1HH1 ARG 17 4.904 -5.594 -16.472 151 HH12 ARG 17 2HH1 ARG 17 5.798 -7.048 -16.134 152 HH21 ARG 17 1HH2 ARG 17 6.702 -6.070 -12.891 153 HH22 ARG 17 2HH2 ARG 17 6.790 -7.333 -14.080 154 H GLN 18 HN GLN 18 7.010 0.426 -12.240 155 HA GLN 18 HA GLN 18 9.386 0.690 -13.744 156 HB2 GLN 18 2HB GLN 18 8.046 2.191 -11.541 157 HB3 GLN 18 1HB GLN 18 9.664 2.614 -12.029 158 HG2 GLN 18 2HG GLN 18 8.835 2.909 -14.353 159 HG3 GLN 18 1HG GLN 18 7.203 2.631 -13.743 160 HE21 GLN 18 1HE2 GLN 18 9.706 4.375 -12.019 161 HE22 GLN 18 2HE2 GLN 18 8.946 5.928 -12.088 162 H ALA 19 HN ALA 19 8.689 -0.659 -10.609 163 HA ALA 19 HA ALA 19 11.514 -0.510 -9.847 164 HB1 ALA 19 1HB ALA 19 10.790 -1.083 -7.608 165 HB2 ALA 19 2HB ALA 19 9.141 -1.326 -8.183 166 HB3 ALA 19 3HB ALA 19 9.861 0.283 -8.226 167 H LEU 20 HN LEU 20 9.044 -2.798 -10.738 168 HA LEU 20 HA LEU 20 10.410 -5.137 -9.914 169 HB2 LEU 20 2HB LEU 20 8.305 -4.686 -12.025 170 HB3 LEU 20 1HB LEU 20 8.881 -6.268 -11.546 171 HG LEU 20 HG LEU 20 7.394 -4.289 -9.826 172 HD11 LEU 20 1HD1 LEU 20 6.668 -7.034 -10.829 173 HD12 LEU 20 2HD1 LEU 20 5.985 -5.502 -11.374 174 HD13 LEU 20 3HD1 LEU 20 5.705 -6.053 -9.724 175 HD21 LEU 20 3HD2 LEU 20 7.503 -5.984 -8.060 176 HD22 LEU 20 1HD2 LEU 20 9.107 -5.399 -8.502 177 HD23 LEU 20 2HD2 LEU 20 8.555 -6.971 -9.078 178 HA PRO 21 HA PRO 21 10.283 -7.263 -11.084 179 HB2 PRO 21 2HB PRO 21 12.019 -9.216 -11.602 180 HB3 PRO 21 1HB PRO 21 10.959 -8.577 -12.863 181 HG2 PRO 21 2HG PRO 21 13.857 -8.071 -12.385 182 HG3 PRO 21 1HG PRO 21 12.982 -8.225 -13.917 183 HD2 PRO 21 2HD PRO 21 13.712 -5.828 -12.667 184 HD3 PRO 21 1HD PRO 21 12.536 -6.005 -13.981 185 H ASN 22 HN ASN 22 12.121 -5.324 -9.685 186 HA ASN 22 HA ASN 22 13.421 -7.125 -7.806 187 HB2 ASN 22 2HB ASN 22 13.217 -4.104 -7.716 188 HB3 ASN 22 1HB ASN 22 14.228 -5.108 -6.682 189 HD21 ASN 22 1HD2 ASN 22 13.850 -3.657 -9.776 190 HD22 ASN 22 2HD2 ASN 22 15.411 -4.073 -10.402 191 H GLU 23 HN GLU 23 11.630 -4.246 -6.930 192 HA GLU 23 HA GLU 23 9.314 -5.488 -5.919 193 HB2 GLU 23 2HB GLU 23 11.572 -5.763 -4.235 194 HB3 GLU 23 1HB GLU 23 10.595 -4.487 -3.526 195 HG2 GLU 23 2HG GLU 23 9.505 -7.193 -4.263 196 HG3 GLU 23 1HG GLU 23 10.154 -6.803 -2.673 197 H ALA 24 HN ALA 24 7.883 -3.902 -5.045 198 HA ALA 24 HA ALA 24 8.821 -1.132 -5.356 199 HB1 ALA 24 1HB ALA 24 6.751 -0.535 -6.497 200 HB2 ALA 24 2HB ALA 24 6.229 -2.220 -6.449 201 HB3 ALA 24 3HB ALA 24 7.641 -1.760 -7.399 202 H CYS 25 HN CYS 25 8.709 -0.376 -3.356 203 HA CYS 25 HA CYS 25 6.350 -1.064 -1.746 204 HB2 CYS 25 2HB CYS 25 9.126 -0.328 -0.789 205 HB3 CYS 25 1HB CYS 25 7.762 -0.758 0.235 206 HG CYS 25 HG CYS 25 8.285 -3.177 -1.949 207 H GLY 26 HN GLY 26 5.833 0.583 -0.079 208 HA2 GLY 26 2HA GLY 26 6.666 3.234 -0.118 209 HA3 GLY 26 1HA GLY 26 5.340 3.099 -1.271 210 H LEU 27 HN LEU 27 4.320 4.623 0.341 211 HA LEU 27 HA LEU 27 3.066 3.017 2.468 212 HB2 LEU 27 2HB LEU 27 3.866 5.927 2.555 213 HB3 LEU 27 1HB LEU 27 2.870 5.142 3.767 214 HG LEU 27 HG LEU 27 5.729 4.415 3.114 215 HD11 LEU 27 1HD1 LEU 27 5.570 6.566 4.224 216 HD12 LEU 27 2HD1 LEU 27 6.209 5.351 5.333 217 HD13 LEU 27 3HD1 LEU 27 4.528 5.871 5.463 218 HD21 LEU 27 3HD2 LEU 27 5.587 2.991 5.095 219 HD22 LEU 27 1HD2 LEU 27 4.420 2.493 3.869 220 HD23 LEU 27 2HD2 LEU 27 3.884 3.407 5.278 221 H LEU 28 HN LEU 28 0.913 3.533 2.988 222 HA LEU 28 HA LEU 28 -0.516 5.069 0.923 223 HB2 LEU 28 2HB LEU 28 -1.273 2.420 2.153 224 HB3 LEU 28 1HB LEU 28 -2.370 3.399 1.203 225 HG LEU 28 HG LEU 28 0.216 2.226 0.181 226 HD11 LEU 28 1HD1 LEU 28 -1.427 0.496 0.642 227 HD12 LEU 28 2HD1 LEU 28 -1.231 0.721 -1.095 228 HD13 LEU 28 3HD1 LEU 28 -2.642 1.388 -0.274 229 HD21 LEU 28 3HD2 LEU 28 -0.634 2.906 -2.012 230 HD22 LEU 28 1HD2 LEU 28 -0.392 4.291 -0.948 231 HD23 LEU 28 2HD2 LEU 28 -2.019 3.670 -1.233 232 H GLY 29 HN GLY 29 -1.805 6.594 1.704 233 HA2 GLY 29 2HA GLY 29 -2.600 6.393 4.535 234 HA3 GLY 29 1HA GLY 29 -1.937 7.880 3.874 235 H GLY 30 HN GLY 30 -4.228 8.125 5.064 236 HA2 GLY 30 2HA GLY 30 -5.928 9.487 3.566 237 HA3 GLY 30 1HA GLY 30 -6.415 7.843 3.168 238 H ARG 31 HN ARG 31 -8.256 7.470 4.204 239 HA ARG 31 HA ARG 31 -8.332 8.063 7.077 240 HB2 ARG 31 2HB ARG 31 -10.481 8.465 5.008 241 HB3 ARG 31 1HB ARG 31 -10.843 8.361 6.728 242 HG2 ARG 31 2HG ARG 31 -9.534 10.304 7.192 243 HG3 ARG 31 1HG ARG 31 -8.920 10.347 5.538 244 HD2 ARG 31 2HD ARG 31 -11.085 10.894 4.682 245 HD3 ARG 31 1HD ARG 31 -11.829 10.638 6.261 246 HE ARG 31 HE ARG 31 -10.757 12.631 7.039 247 HH11 ARG 31 1HH1 ARG 31 -10.401 12.076 3.599 248 HH12 ARG 31 2HH1 ARG 31 -10.150 13.758 3.221 249 HH21 ARG 31 1HH2 ARG 31 -10.391 14.833 6.566 250 HH22 ARG 31 2HH2 ARG 31 -10.152 15.335 4.916 251 H ARG 32 HN ARG 32 -9.158 6.547 8.384 252 HA ARG 32 HA ARG 32 -10.279 4.113 7.188 253 HB2 ARG 32 2HB ARG 32 -7.945 3.643 7.763 254 HB3 ARG 32 1HB ARG 32 -8.206 4.246 9.392 255 HG2 ARG 32 2HG ARG 32 -9.744 2.417 9.834 256 HG3 ARG 32 1HG ARG 32 -9.523 1.821 8.188 257 HD2 ARG 32 2HD ARG 32 -7.159 1.438 8.633 258 HD3 ARG 32 1HD ARG 32 -7.346 2.089 10.261 259 HE ARG 32 HE ARG 32 -9.174 0.031 10.067 260 HH11 ARG 32 1HH1 ARG 32 -5.693 0.344 9.798 261 HH12 ARG 32 2HH1 ARG 32 -5.376 -1.265 10.368 262 HH21 ARG 32 1HH2 ARG 32 -8.754 -2.080 10.823 263 HH22 ARG 32 2HH2 ARG 32 -7.116 -2.636 10.950 264 H ASP 33 HN ASP 33 -12.186 3.645 8.064 265 HA ASP 33 HA ASP 33 -13.137 5.366 10.197 266 HB2 ASP 33 2HB ASP 33 -14.463 4.705 8.106 267 HB3 ASP 33 1HB ASP 33 -14.701 3.148 8.889 268 H GLY 34 HN GLY 34 -11.514 2.587 10.071 269 HA2 GLY 34 2HA GLY 34 -11.043 1.641 12.357 270 HA3 GLY 34 1HA GLY 34 -12.781 1.417 12.457 271 H ASP 35 HN ASP 35 -13.737 0.189 10.664 272 HA ASP 35 HA ASP 35 -12.106 -2.159 10.066 273 HB2 ASP 35 2HB ASP 35 -15.050 -1.707 9.506 274 HB3 ASP 35 1HB ASP 35 -14.187 -3.239 9.428 275 H ASP 36 HN ASP 36 -13.768 0.512 8.505 276 HA ASP 36 HA ASP 36 -13.175 -0.495 5.854 277 HB2 ASP 36 2HB ASP 36 -14.202 2.252 6.517 278 HB3 ASP 36 1HB ASP 36 -14.259 1.441 4.967 279 H ARG 37 HN ARG 37 -11.788 0.379 4.435 280 HA ARG 37 HA ARG 37 -9.633 2.046 5.524 281 HB2 ARG 37 2HB ARG 37 -9.381 -0.566 5.397 282 HB3 ARG 37 1HB ARG 37 -9.138 -0.270 3.685 283 HG2 ARG 37 2HG ARG 37 -7.498 1.077 5.795 284 HG3 ARG 37 1HG ARG 37 -7.107 -0.505 5.132 285 HD2 ARG 37 2HD ARG 37 -7.298 0.689 2.835 286 HD3 ARG 37 1HD ARG 37 -7.097 2.162 3.786 287 HE ARG 37 HE ARG 37 -5.141 0.051 4.205 288 HH11 ARG 37 1HH1 ARG 37 -5.903 3.136 2.734 289 HH12 ARG 37 2HH1 ARG 37 -4.249 3.517 2.384 290 HH21 ARG 37 1HH2 ARG 37 -2.968 0.537 3.743 291 HH22 ARG 37 2HH2 ARG 37 -2.572 2.031 2.956 292 H TRP 38 HN TRP 38 -9.498 3.846 4.245 293 HA TRP 38 HA TRP 38 -10.114 3.518 1.387 294 HB2 TRP 38 2HB TRP 38 -10.299 5.942 3.173 295 HB3 TRP 38 1HB TRP 38 -10.426 6.027 1.417 296 HD1 TRP 38 1HD TRP 38 -12.543 4.633 0.317 297 HE1 TRP 38 1HE TRP 38 -14.911 4.270 1.257 298 HE3 TRP 38 3HE TRP 38 -11.621 5.663 5.234 299 HZ2 TRP 38 2HZ TRP 38 -16.220 4.408 3.761 300 HZ3 TRP 38 3HZ TRP 38 -13.480 5.531 6.838 301 HH2 TRP 38 2HH TRP 38 -15.731 4.916 6.116 302 H VAL 39 HN VAL 39 -8.762 4.361 -0.169 303 HA VAL 39 HA VAL 39 -6.103 5.234 0.765 304 HB VAL 39 HB VAL 39 -6.765 3.991 -1.914 305 HG11 VAL 39 1HG1 VAL 39 -4.122 4.566 -0.572 306 HG12 VAL 39 2HG1 VAL 39 -4.808 5.441 -1.940 307 HG13 VAL 39 3HG1 VAL 39 -4.334 3.752 -2.124 308 HG21 VAL 39 3HG2 VAL 39 -7.112 2.358 -0.135 309 HG22 VAL 39 1HG2 VAL 39 -5.510 2.706 0.516 310 HG23 VAL 39 2HG2 VAL 39 -5.672 1.961 -1.074 311 H GLU 40 HN GLU 40 -6.506 7.441 0.830 312 HA GLU 40 HA GLU 40 -7.785 8.699 -1.451 313 HB2 GLU 40 2HB GLU 40 -6.815 9.844 1.168 314 HB3 GLU 40 1HB GLU 40 -7.564 10.799 -0.106 315 HG2 GLU 40 2HG GLU 40 -9.539 9.224 0.069 316 HG3 GLU 40 1HG GLU 40 -8.796 8.621 1.550 317 H ARG 41 HN ARG 41 -4.568 8.379 -0.093 318 HA ARG 41 HA ARG 41 -3.551 9.608 -2.539 319 HB2 ARG 41 2HB ARG 41 -3.658 11.351 -0.696 320 HB3 ARG 41 1HB ARG 41 -2.434 10.413 0.144 321 HG2 ARG 41 2HG ARG 41 -1.450 12.279 -1.071 322 HG3 ARG 41 1HG ARG 41 -0.888 10.733 -1.713 323 HD2 ARG 41 2HD ARG 41 -2.506 10.898 -3.537 324 HD3 ARG 41 1HD ARG 41 -3.096 12.425 -2.884 325 HE ARG 41 HE ARG 41 -1.028 13.448 -3.498 326 HH11 ARG 41 1HH1 ARG 41 -1.431 10.171 -4.658 327 HH12 ARG 41 2HH1 ARG 41 -0.253 10.308 -5.920 328 HH21 ARG 41 1HH2 ARG 41 0.492 13.683 -5.214 329 HH22 ARG 41 2HH2 ARG 41 0.835 12.324 -6.237 330 H VAL 42 HN VAL 42 -1.831 8.600 -3.343 331 HA VAL 42 HA VAL 42 -0.632 6.428 -1.773 332 HB VAL 42 HB VAL 42 -0.562 6.886 -4.765 333 HG11 VAL 42 1HG1 VAL 42 0.276 4.577 -4.869 334 HG12 VAL 42 2HG1 VAL 42 0.332 4.533 -3.106 335 HG13 VAL 42 3HG1 VAL 42 1.370 5.649 -3.994 336 HG21 VAL 42 3HG2 VAL 42 -2.812 6.371 -4.020 337 HG22 VAL 42 1HG2 VAL 42 -2.217 4.960 -3.144 338 HG23 VAL 42 2HG2 VAL 42 -2.125 5.007 -4.905 339 H TYR 43 HN TYR 43 1.400 6.670 -1.058 340 HA TYR 43 HA TYR 43 3.175 8.488 -2.538 341 HB2 TYR 43 2HB TYR 43 2.865 8.190 0.439 342 HB3 TYR 43 1HB TYR 43 4.363 8.792 -0.267 343 HD1 TYR 43 1HD TYR 43 3.831 10.650 -2.203 344 HD2 TYR 43 2HD TYR 43 1.445 9.827 1.216 345 HE1 TYR 43 1HE TYR 43 2.877 12.911 -2.334 346 HE2 TYR 43 2HE TYR 43 0.480 12.083 1.092 347 HH TYR 43 HH TYR 43 1.183 14.326 0.179 348 HA PRO 44 HA PRO 44 5.072 4.338 -2.658 349 HB2 PRO 44 2HB PRO 44 6.078 5.185 -5.250 350 HB3 PRO 44 1HB PRO 44 4.977 3.861 -4.869 351 HG2 PRO 44 2HG PRO 44 4.204 6.101 -6.201 352 HG3 PRO 44 1HG PRO 44 3.111 5.147 -5.182 353 HD2 PRO 44 2HD PRO 44 4.529 7.711 -4.558 354 HD3 PRO 44 1HD PRO 44 2.874 7.207 -4.151 355 H LEU 45 HN LEU 45 7.159 3.830 -2.155 356 HA LEU 45 HA LEU 45 9.041 6.089 -2.061 357 HB2 LEU 45 2HB LEU 45 8.819 3.712 -0.208 358 HB3 LEU 45 1HB LEU 45 10.046 4.959 -0.101 359 HG LEU 45 HG LEU 45 7.082 5.412 0.256 360 HD11 LEU 45 1HD1 LEU 45 7.606 5.703 2.611 361 HD12 LEU 45 2HD1 LEU 45 9.300 5.329 2.296 362 HD13 LEU 45 3HD1 LEU 45 8.069 4.088 2.070 363 HD21 LEU 45 3HD2 LEU 45 7.757 7.628 1.047 364 HD22 LEU 45 1HD2 LEU 45 8.245 7.370 -0.629 365 HD23 LEU 45 2HD2 LEU 45 9.438 7.254 0.666 366 H ASN 46 HN ASN 46 11.333 4.793 -1.434 367 HA ASN 46 HA ASN 46 11.851 3.222 -3.860 368 HB2 ASN 46 2HB ASN 46 13.165 5.303 -3.557 369 HB3 ASN 46 1HB ASN 46 13.792 4.671 -2.038 370 HD21 ASN 46 1HD2 ASN 46 15.909 4.715 -2.715 371 HD22 ASN 46 2HD2 ASN 46 16.534 3.613 -3.890 372 H ASN 47 HN ASN 47 13.082 1.306 -3.723 373 HA ASN 47 HA ASN 47 12.982 0.025 -1.082 374 HB2 ASN 47 2HB ASN 47 11.728 -1.168 -2.794 375 HB3 ASN 47 1HB ASN 47 13.140 -1.198 -3.846 376 HD21 ASN 47 1HD2 ASN 47 12.839 -3.489 -3.893 377 HD22 ASN 47 2HD2 ASN 47 13.449 -4.469 -2.608 378 H LEU 48 HN LEU 48 14.802 -0.224 -0.018 379 HA LEU 48 HA LEU 48 17.217 0.817 -0.999 380 HB2 LEU 48 2HB LEU 48 16.492 -0.742 1.459 381 HB3 LEU 48 1HB LEU 48 18.149 -0.275 1.135 382 HG LEU 48 HG LEU 48 17.096 1.277 2.677 383 HD11 LEU 48 1HD1 LEU 48 17.560 3.373 1.501 384 HD12 LEU 48 2HD1 LEU 48 17.570 2.500 -0.031 385 HD13 LEU 48 3HD1 LEU 48 18.795 2.155 1.189 386 HD21 LEU 48 3HD2 LEU 48 14.776 1.030 1.987 387 HD22 LEU 48 1HD2 LEU 48 15.134 1.861 0.473 388 HD23 LEU 48 2HD2 LEU 48 15.261 2.725 2.005 389 H ASP 49 HN ASP 49 16.040 -2.495 -0.792 390 HA ASP 49 HA ASP 49 18.631 -3.409 -1.856 391 HB2 ASP 49 2HB ASP 49 16.577 -4.883 -0.205 392 HB3 ASP 49 1HB ASP 49 17.886 -5.701 -1.051 393 H GLN 50 HN GLN 50 18.604 -3.785 -3.949 394 HA GLN 50 HA GLN 50 16.137 -4.121 -5.388 395 HB2 GLN 50 2HB GLN 50 19.019 -4.212 -6.290 396 HB3 GLN 50 1HB GLN 50 17.645 -4.359 -7.376 397 HG2 GLN 50 2HG GLN 50 16.885 -2.121 -6.655 398 HG3 GLN 50 1HG GLN 50 18.346 -1.978 -5.676 399 HE21 GLN 50 1HE2 GLN 50 20.331 -1.668 -6.688 400 HE22 GLN 50 2HE2 GLN 50 20.452 -1.228 -8.361 401 H SER 51 HN SER 51 15.440 -6.059 -4.292 402 HA SER 51 HA SER 51 16.503 -8.463 -5.606 403 HB2 SER 51 2HB SER 51 15.654 -8.334 -2.698 404 HB3 SER 51 1HB SER 51 16.316 -9.734 -3.545 405 HG SER 51 HG SER 51 17.831 -7.407 -3.592 406 HA PRO 52 HA PRO 52 12.265 -9.058 -6.671 407 HB2 PRO 52 2HB PRO 52 12.746 -11.950 -6.740 408 HB3 PRO 52 1HB PRO 52 12.367 -10.846 -8.065 409 HG2 PRO 52 2HG PRO 52 14.806 -11.954 -7.785 410 HG3 PRO 52 1HG PRO 52 14.581 -10.318 -8.434 411 HD2 PRO 52 2HD PRO 52 15.409 -11.167 -5.681 412 HD3 PRO 52 1HD PRO 52 16.042 -9.851 -6.694 413 H GLU 53 HN GLU 53 13.620 -11.085 -4.121 414 HA GLU 53 HA GLU 53 10.912 -11.619 -3.113 415 HB2 GLU 53 2HB GLU 53 13.471 -12.881 -2.142 416 HB3 GLU 53 1HB GLU 53 11.833 -13.440 -1.880 417 HG2 GLU 53 2HG GLU 53 12.427 -14.883 -3.506 418 HG3 GLU 53 1HG GLU 53 11.866 -13.562 -4.529 419 H HIS 54 HN HIS 54 13.572 -9.607 -2.519 420 HA HIS 54 HA HIS 54 12.847 -9.365 0.329 421 HB2 HIS 54 2HB HIS 54 15.624 -9.074 -0.835 422 HB3 HIS 54 1HB HIS 54 15.191 -8.859 0.848 423 HD1 HIS 54 1HD HIS 54 15.684 -10.824 2.262 424 HD2 HIS 54 2HD HIS 54 14.874 -11.895 -1.664 425 HE1 HIS 54 1HE HIS 54 16.080 -13.304 2.142 426 HE2 HIS 54 2HE HIS 54 15.427 -13.952 -0.205 427 H PHE 55 HN PHE 55 12.573 -7.372 1.118 428 HA PHE 55 HA PHE 55 13.311 -5.062 -0.504 429 HB2 PHE 55 2HB PHE 55 11.072 -4.059 -0.196 430 HB3 PHE 55 1HB PHE 55 11.015 -5.527 -1.161 431 HD1 PHE 55 1HD PHE 55 10.080 -7.599 -0.208 432 HD2 PHE 55 2HD PHE 55 9.962 -3.906 1.905 433 HE1 PHE 55 1HE PHE 55 8.355 -8.512 1.286 434 HE2 PHE 55 2HE PHE 55 8.232 -4.813 3.402 435 HZ PHE 55 HZ PHE 55 7.429 -7.118 3.095 436 H SER 56 HN SER 56 13.475 -3.114 0.678 437 HA SER 56 HA SER 56 13.237 -3.291 3.590 438 HB2 SER 56 2HB SER 56 15.771 -2.353 2.222 439 HB3 SER 56 1HB SER 56 15.487 -2.459 3.957 440 HG SER 56 HG SER 56 16.552 -4.290 2.470 441 H MET 57 HN MET 57 12.636 -1.397 4.519 442 HA MET 57 HA MET 57 12.589 1.005 2.805 443 HB2 MET 57 2HB MET 57 10.326 0.072 3.131 444 HB3 MET 57 1HB MET 57 10.541 0.170 4.874 445 HG2 MET 57 2HG MET 57 10.744 2.609 4.691 446 HG3 MET 57 1HG MET 57 10.476 2.485 2.953 447 HE1 MET 57 3HE MET 57 8.191 1.550 1.888 448 HE2 MET 57 1HE MET 57 6.800 1.062 2.855 449 HE3 MET 57 2HE MET 57 8.285 0.110 2.901 450 H ASP 58 HN ASP 58 13.519 2.789 3.648 451 HA ASP 58 HA ASP 58 14.699 2.546 6.292 452 HB2 ASP 58 2HB ASP 58 16.041 4.461 5.716 453 HB3 ASP 58 1HB ASP 58 16.041 3.367 4.351 454 HA PRO 59 HA PRO 59 11.774 4.978 8.428 455 HB2 PRO 59 2HB PRO 59 13.346 6.339 10.191 456 HB3 PRO 59 1HB PRO 59 12.955 4.623 10.353 457 HG2 PRO 59 2HG PRO 59 15.423 5.906 9.250 458 HG3 PRO 59 1HG PRO 59 15.274 4.503 10.326 459 HD2 PRO 59 2HD PRO 59 15.727 4.235 7.682 460 HD3 PRO 59 1HD PRO 59 14.750 3.068 8.594 461 H ARG 60 HN ARG 60 14.382 6.610 6.778 462 HA ARG 60 HA ARG 60 13.429 9.254 7.382 463 HB2 ARG 60 2HB ARG 60 15.299 8.506 5.136 464 HB3 ARG 60 1HB ARG 60 15.132 10.072 5.918 465 HG2 ARG 60 2HG ARG 60 15.880 8.821 8.050 466 HG3 ARG 60 1HG ARG 60 16.454 7.587 6.928 467 HD2 ARG 60 2HD ARG 60 18.327 8.907 7.157 468 HD3 ARG 60 1HD ARG 60 17.578 9.611 5.724 469 HE ARG 60 HE ARG 60 17.169 10.757 8.410 470 HH11 ARG 60 1HH1 ARG 60 18.059 11.112 5.051 471 HH12 ARG 60 2HH1 ARG 60 18.222 12.840 5.136 472 HH21 ARG 60 1HH2 ARG 60 17.391 13.027 8.552 473 HH22 ARG 60 2HH2 ARG 60 17.857 13.933 7.137 474 H GLU 61 HN GLU 61 13.374 7.136 4.494 475 HA GLU 61 HA GLU 61 11.729 8.872 2.963 476 HB2 GLU 61 2HB GLU 61 12.135 5.884 2.851 477 HB3 GLU 61 1HB GLU 61 11.156 6.763 1.685 478 HG2 GLU 61 2HG GLU 61 14.043 7.388 2.222 479 HG3 GLU 61 1HG GLU 61 13.512 6.252 0.987 480 H GLN 62 HN GLN 62 11.020 6.300 5.246 481 HA GLN 62 HA GLN 62 8.259 6.136 4.905 482 HB2 GLN 62 2HB GLN 62 9.646 4.535 6.179 483 HB3 GLN 62 1HB GLN 62 9.887 5.754 7.422 484 HG2 GLN 62 2HG GLN 62 7.435 5.782 7.777 485 HG3 GLN 62 1HG GLN 62 7.304 4.433 6.652 486 HE21 GLN 62 1HE2 GLN 62 6.516 2.999 8.177 487 HE22 GLN 62 2HE2 GLN 62 7.479 2.380 9.478 488 H LEU 63 HN LEU 63 10.182 8.114 7.162 489 HA LEU 63 HA LEU 63 7.936 9.293 8.421 490 HB2 LEU 63 2HB LEU 63 10.179 9.148 9.444 491 HB3 LEU 63 1HB LEU 63 10.772 10.314 8.277 492 HG LEU 63 HG LEU 63 9.225 12.002 9.203 493 HD11 LEU 63 1HD1 LEU 63 8.101 11.556 11.333 494 HD12 LEU 63 2HD1 LEU 63 8.616 9.872 11.250 495 HD13 LEU 63 3HD1 LEU 63 7.496 10.511 10.048 496 HD21 LEU 63 3HD2 LEU 63 11.057 10.695 11.208 497 HD22 LEU 63 1HD2 LEU 63 10.432 12.340 11.313 498 HD23 LEU 63 2HD2 LEU 63 11.516 11.890 9.997 499 H THR 64 HN THR 64 9.894 10.210 5.652 500 HA THR 64 HA THR 64 8.992 12.859 5.385 501 HB THR 64 HB THR 64 9.865 10.964 3.190 502 HG1 THR 64 1HG THR 64 11.529 11.159 4.666 503 HG21 THR 64 3HG2 THR 64 10.455 13.006 1.968 504 HG22 THR 64 1HG2 THR 64 9.796 13.986 3.278 505 HG23 THR 64 2HG2 THR 64 8.729 12.955 2.326 506 H ALA 65 HN ALA 65 7.672 9.795 4.194 507 HA ALA 65 HA ALA 65 5.574 11.008 2.684 508 HB1 ALA 65 1HB ALA 65 6.424 8.759 2.191 509 HB2 ALA 65 2HB ALA 65 4.682 8.759 2.471 510 HB3 ALA 65 3HB ALA 65 5.778 8.185 3.727 511 H VAL 66 HN VAL 66 5.820 9.645 5.943 512 HA VAL 66 HA VAL 66 3.072 9.851 6.586 513 HB VAL 66 HB VAL 66 5.479 9.833 8.423 514 HG11 VAL 66 1HG1 VAL 66 3.927 9.171 10.190 515 HG12 VAL 66 2HG1 VAL 66 2.572 9.360 9.079 516 HG13 VAL 66 3HG1 VAL 66 3.526 10.765 9.553 517 HG21 VAL 66 3HG2 VAL 66 3.637 7.609 7.549 518 HG22 VAL 66 1HG2 VAL 66 4.939 7.462 8.727 519 HG23 VAL 66 2HG2 VAL 66 5.311 7.833 7.043 520 H LYS 67 HN LYS 67 5.772 12.097 6.859 521 HA LYS 67 HA LYS 67 4.564 14.063 8.446 522 HB2 LYS 67 2HB LYS 67 6.966 14.031 7.869 523 HB3 LYS 67 1HB LYS 67 6.566 14.440 6.209 524 HG2 LYS 67 2HG LYS 67 5.578 16.564 7.013 525 HG3 LYS 67 1HG LYS 67 6.115 16.157 8.644 526 HD2 LYS 67 2HD LYS 67 7.917 16.490 6.244 527 HD3 LYS 67 1HD LYS 67 7.653 17.701 7.500 528 HE2 LYS 67 2HE LYS 67 8.535 16.132 9.174 529 HE3 LYS 67 1HE LYS 67 8.841 14.957 7.894 530 HZ1 LYS 67 3HZ LYS 67 10.061 17.658 8.078 531 HZ2 LYS 67 1HZ LYS 67 10.367 16.514 6.865 532 HZ3 LYS 67 2HZ LYS 67 10.838 16.198 8.463 533 H ASP 68 HN ASP 68 4.622 13.665 4.927 534 HA ASP 68 HA ASP 68 3.124 16.019 4.362 535 HB2 ASP 68 2HB ASP 68 4.621 14.664 2.765 536 HB3 ASP 68 1HB ASP 68 3.246 13.583 2.585 537 H MET 69 HN MET 69 2.339 12.670 4.911 538 HA MET 69 HA MET 69 -0.347 12.624 4.172 539 HB2 MET 69 2HB MET 69 1.253 10.737 5.009 540 HB3 MET 69 1HB MET 69 0.648 11.167 6.601 541 HG2 MET 69 2HG MET 69 -0.671 9.373 5.881 542 HG3 MET 69 1HG MET 69 -1.669 10.812 5.682 543 HE1 MET 69 3HE MET 69 0.461 8.612 2.243 544 HE2 MET 69 1HE MET 69 0.575 8.164 3.945 545 HE3 MET 69 2HE MET 69 1.325 9.656 3.371 546 H ARG 70 HN ARG 70 1.136 13.367 7.303 547 HA ARG 70 HA ARG 70 -1.331 13.874 8.635 548 HB2 ARG 70 2HB ARG 70 0.958 13.251 9.644 549 HB3 ARG 70 1HB ARG 70 1.343 14.958 9.493 550 HG2 ARG 70 2HG ARG 70 -0.619 15.495 10.895 551 HG3 ARG 70 1HG ARG 70 -0.907 13.768 11.104 552 HD2 ARG 70 2HD ARG 70 0.279 14.344 13.018 553 HD3 ARG 70 1HD ARG 70 1.520 13.685 11.954 554 HE ARG 70 HE ARG 70 1.134 16.578 11.935 555 HH11 ARG 70 1HH1 ARG 70 3.103 13.828 12.847 556 HH12 ARG 70 2HH1 ARG 70 4.429 14.812 13.407 557 HH21 ARG 70 1HH2 ARG 70 2.868 17.854 12.643 558 HH22 ARG 70 2HH2 ARG 70 4.288 17.095 13.301 559 H LYS 71 HN LYS 71 0.846 15.773 6.733 560 HA LYS 71 HA LYS 71 0.068 18.356 7.577 561 HB2 LYS 71 2HB LYS 71 2.107 17.727 6.226 562 HB3 LYS 71 1HB LYS 71 1.050 17.567 4.834 563 HG2 LYS 71 2HG LYS 71 2.142 19.716 4.799 564 HG3 LYS 71 1HG LYS 71 0.410 19.922 5.059 565 HD2 LYS 71 2HD LYS 71 0.819 20.183 7.469 566 HD3 LYS 71 1HD LYS 71 2.552 20.015 7.182 567 HE2 LYS 71 2HE LYS 71 2.494 22.004 5.754 568 HE3 LYS 71 1HE LYS 71 0.768 22.175 6.067 569 HZ1 LYS 71 3HZ LYS 71 2.002 23.643 7.489 570 HZ2 LYS 71 1HZ LYS 71 2.951 22.366 8.074 571 HZ3 LYS 71 2HZ LYS 71 1.297 22.430 8.435 572 H ASN 72 HN ASN 72 -1.276 16.057 5.348 573 HA ASN 72 HA ASN 72 -3.240 17.946 4.315 574 HB2 ASN 72 2HB ASN 72 -2.675 15.038 3.759 575 HB3 ASN 72 1HB ASN 72 -4.106 15.842 3.129 576 HD21 ASN 72 1HD2 ASN 72 -0.645 15.588 2.966 577 HD22 ASN 72 2HD2 ASN 72 -0.460 16.455 1.478 578 H GLY 73 HN GLY 73 -2.904 16.024 7.012 579 HA2 GLY 73 2HA GLY 73 -4.470 15.826 8.745 580 HA3 GLY 73 1HA GLY 73 -5.748 16.231 7.607 581 H TRP 74 HN TRP 74 -3.517 13.853 6.565 582 HA TRP 74 HA TRP 74 -5.537 11.770 7.029 583 HB2 TRP 74 2HB TRP 74 -3.269 11.945 5.042 584 HB3 TRP 74 1HB TRP 74 -4.217 10.487 5.300 585 HD1 TRP 74 1HD TRP 74 -7.124 11.684 5.365 586 HE1 TRP 74 1HE TRP 74 -8.164 12.644 3.218 587 HE3 TRP 74 3HE TRP 74 -2.835 12.626 2.744 588 HZ2 TRP 74 2HZ TRP 74 -7.281 13.672 0.741 589 HZ3 TRP 74 3HZ TRP 74 -3.021 13.593 0.490 590 HH2 TRP 74 2HH TRP 74 -5.199 14.104 -0.489 591 H VAL 75 HN VAL 75 -4.608 9.550 7.362 592 HA VAL 75 HA VAL 75 -2.125 9.639 8.935 593 HB VAL 75 HB VAL 75 -3.082 7.803 10.359 594 HG11 VAL 75 1HG1 VAL 75 -4.406 9.303 11.775 595 HG12 VAL 75 2HG1 VAL 75 -4.526 10.452 10.441 596 HG13 VAL 75 3HG1 VAL 75 -2.956 10.100 11.164 597 HG21 VAL 75 3HG2 VAL 75 -5.534 7.574 10.441 598 HG22 VAL 75 1HG2 VAL 75 -4.863 7.055 8.895 599 HG23 VAL 75 2HG2 VAL 75 -5.662 8.622 9.028 600 H MET 76 HN MET 76 -1.012 7.544 9.053 601 HA MET 76 HA MET 76 -1.026 6.285 6.443 602 HB2 MET 76 2HB MET 76 1.086 6.917 7.601 603 HB3 MET 76 1HB MET 76 0.725 5.742 8.855 604 HG2 MET 76 2HG MET 76 0.924 4.892 5.996 605 HG3 MET 76 1HG MET 76 2.377 5.138 6.964 606 HE1 MET 76 3HE MET 76 1.841 2.551 9.865 607 HE2 MET 76 1HE MET 76 1.404 4.260 9.837 608 HE3 MET 76 2HE MET 76 2.947 3.734 9.166 609 H LEU 77 HN LEU 77 -1.981 4.415 5.963 610 HA LEU 77 HA LEU 77 -3.319 3.021 8.189 611 HB2 LEU 77 2HB LEU 77 -4.120 3.064 5.283 612 HB3 LEU 77 1HB LEU 77 -5.044 2.409 6.622 613 HG LEU 77 HG LEU 77 -4.394 5.329 6.213 614 HD11 LEU 77 1HD1 LEU 77 -5.980 4.513 4.572 615 HD12 LEU 77 2HD1 LEU 77 -6.783 5.558 5.744 616 HD13 LEU 77 3HD1 LEU 77 -6.967 3.805 5.850 617 HD21 LEU 77 3HD2 LEU 77 -5.947 5.705 8.058 618 HD22 LEU 77 1HD2 LEU 77 -4.568 4.733 8.570 619 HD23 LEU 77 2HD2 LEU 77 -6.127 3.964 8.268 620 H GLY 78 HN GLY 78 -0.840 2.682 6.017 621 HA2 GLY 78 2HA GLY 78 0.081 0.270 6.675 622 HA3 GLY 78 1HA GLY 78 -1.184 -0.158 5.530 623 H ASN 79 HN ASN 79 0.886 -1.057 4.529 624 HA ASN 79 HA ASN 79 1.908 0.960 2.659 625 HB2 ASN 79 2HB ASN 79 4.126 -0.097 2.701 626 HB3 ASN 79 1HB ASN 79 3.691 0.535 4.279 627 HD21 ASN 79 1HD2 ASN 79 3.351 -0.870 5.968 628 HD22 ASN 79 2HD2 ASN 79 3.785 -2.541 5.893 629 H PHE 80 HN PHE 80 3.039 -0.189 0.788 630 HA PHE 80 HA PHE 80 1.639 -2.672 0.108 631 HB2 PHE 80 2HB PHE 80 1.062 -1.877 -2.093 632 HB3 PHE 80 1HB PHE 80 0.436 -0.730 -0.916 633 HD1 PHE 80 1HD PHE 80 1.635 1.443 -0.577 634 HD2 PHE 80 2HD PHE 80 2.590 -1.221 -3.754 635 HE1 PHE 80 1HE PHE 80 2.759 3.274 -1.770 636 HE2 PHE 80 2HE PHE 80 3.717 0.606 -4.951 637 HZ PHE 80 HZ PHE 80 3.801 2.857 -3.957 638 H HIS 81 HN HIS 81 2.711 -3.988 -1.381 639 HA HIS 81 HA HIS 81 5.162 -3.143 -2.594 640 HB2 HIS 81 2HB HIS 81 6.552 -4.956 -1.581 641 HB3 HIS 81 1HB HIS 81 6.113 -3.682 -0.454 642 HD1 HIS 81 1HD HIS 81 4.547 -4.318 1.500 643 HD2 HIS 81 2HD HIS 81 5.539 -7.491 -0.991 644 HE1 HIS 81 1HE HIS 81 3.883 -6.392 2.753 645 HE2 HIS 81 2HE HIS 81 4.756 -8.290 1.346 646 H SER 82 HN SER 82 5.649 -4.365 -4.371 647 HA SER 82 HA SER 82 3.603 -6.384 -5.013 648 HB2 SER 82 2HB SER 82 3.846 -5.642 -7.367 649 HB3 SER 82 1HB SER 82 3.318 -4.334 -6.306 650 HG SER 82 HG SER 82 6.060 -4.642 -6.647 651 H HIS 83 HN HIS 83 4.209 -8.291 -5.877 652 HA HIS 83 HA HIS 83 7.085 -8.828 -5.917 653 HB2 HIS 83 2HB HIS 83 4.715 -10.708 -5.825 654 HB3 HIS 83 1HB HIS 83 6.393 -11.232 -5.902 655 HD1 HIS 83 1HD HIS 83 4.210 -11.666 -3.536 656 HD2 HIS 83 2HD HIS 83 7.493 -9.108 -3.531 657 HE1 HIS 83 1HE HIS 83 4.767 -11.286 -1.113 658 HE2 HIS 83 2HE HIS 83 6.717 -9.693 -1.123 659 HA PRO 84 HA PRO 84 7.316 -8.758 -10.242 660 HB2 PRO 84 2HB PRO 84 9.285 -10.943 -10.174 661 HB3 PRO 84 1HB PRO 84 9.496 -9.254 -10.641 662 HG2 PRO 84 2HG PRO 84 10.521 -10.228 -8.359 663 HG3 PRO 84 1HG PRO 84 9.912 -8.567 -8.481 664 HD2 PRO 84 2HD PRO 84 8.606 -10.983 -7.285 665 HD3 PRO 84 1HD PRO 84 8.648 -9.311 -6.687 666 H ALA 85 HN ALA 85 7.608 -12.176 -9.218 667 HA ALA 85 HA ALA 85 5.519 -12.913 -11.099 668 HB1 ALA 85 1HB ALA 85 7.552 -12.936 -12.462 669 HB2 ALA 85 2HB ALA 85 6.893 -14.559 -12.257 670 HB3 ALA 85 3HB ALA 85 8.302 -14.053 -11.323 671 H THR 86 HN THR 86 4.979 -13.078 -8.636 672 HA THR 86 HA THR 86 5.040 -15.903 -7.969 673 HB THR 86 HB THR 86 5.517 -15.119 -5.495 674 HG1 THR 86 1HG THR 86 7.393 -13.464 -5.951 675 HG21 THR 86 3HG2 THR 86 6.875 -16.746 -6.712 676 HG22 THR 86 1HG2 THR 86 7.893 -15.643 -5.786 677 HG23 THR 86 2HG2 THR 86 7.727 -15.435 -7.530 678 HA PRO 87 HA PRO 87 0.892 -15.301 -6.676 679 HB2 PRO 87 2HB PRO 87 0.803 -16.488 -4.181 680 HB3 PRO 87 1HB PRO 87 0.712 -17.355 -5.716 681 HG2 PRO 87 2HG PRO 87 3.060 -16.923 -3.919 682 HG3 PRO 87 1HG PRO 87 2.590 -18.375 -4.824 683 HD2 PRO 87 2HD PRO 87 4.556 -16.766 -5.678 684 HD3 PRO 87 1HD PRO 87 3.450 -17.559 -6.818 685 H ALA 88 HN ALA 88 -0.485 -14.033 -5.425 686 HA ALA 88 HA ALA 88 0.853 -11.863 -4.054 687 HB1 ALA 88 1HB ALA 88 -2.068 -12.238 -4.716 688 HB2 ALA 88 2HB ALA 88 -0.893 -11.354 -5.689 689 HB3 ALA 88 3HB ALA 88 -1.331 -10.765 -4.086 690 H ARG 89 HN ARG 89 1.428 -13.674 -2.417 691 HA ARG 89 HA ARG 89 -0.352 -13.224 -0.146 692 HB2 ARG 89 2HB ARG 89 0.570 -15.918 -1.127 693 HB3 ARG 89 1HB ARG 89 0.204 -15.657 0.573 694 HG2 ARG 89 2HG ARG 89 -2.067 -14.949 -0.040 695 HG3 ARG 89 1HG ARG 89 -1.696 -15.266 -1.734 696 HD2 ARG 89 2HD ARG 89 -1.428 -17.602 -1.311 697 HD3 ARG 89 1HD ARG 89 -1.523 -17.353 0.434 698 HE ARG 89 HE ARG 89 -3.883 -16.360 -0.510 699 HH11 ARG 89 1HH1 ARG 89 -2.254 -19.448 -0.826 700 HH12 ARG 89 2HH1 ARG 89 -3.732 -20.358 -0.892 701 HH21 ARG 89 1HH2 ARG 89 -5.808 -17.530 -0.637 702 HH22 ARG 89 2HH2 ARG 89 -5.777 -19.256 -0.837 703 HA PRO 90 HA PRO 90 3.407 -12.084 1.797 704 HB2 PRO 90 2HB PRO 90 2.300 -13.047 4.349 705 HB3 PRO 90 1HB PRO 90 2.737 -11.408 3.863 706 HG2 PRO 90 2HG PRO 90 0.176 -12.156 4.150 707 HG3 PRO 90 1HG PRO 90 0.681 -10.995 2.907 708 HD2 PRO 90 2HD PRO 90 0.040 -13.908 2.633 709 HD3 PRO 90 1HD PRO 90 -0.385 -12.555 1.563 710 H SER 91 HN SER 91 5.190 -13.245 1.558 711 HA SER 91 HA SER 91 5.434 -16.009 2.180 712 HB2 SER 91 2HB SER 91 7.664 -13.990 1.823 713 HB3 SER 91 1HB SER 91 7.752 -15.734 1.576 714 HG SER 91 HG SER 91 5.948 -15.232 -0.038 715 H ALA 92 HN ALA 92 7.551 -16.529 3.680 716 HA ALA 92 HA ALA 92 6.569 -16.107 6.287 717 HB1 ALA 92 1HB ALA 92 7.898 -18.063 5.652 718 HB2 ALA 92 2HB ALA 92 8.583 -17.240 7.052 719 HB3 ALA 92 3HB ALA 92 9.318 -17.038 5.461 720 H GLU 93 HN GLU 93 9.439 -14.705 4.672 721 HA GLU 93 HA GLU 93 10.005 -12.998 6.892 722 HB2 GLU 93 2HB GLU 93 11.632 -11.914 5.360 723 HB3 GLU 93 1HB GLU 93 11.829 -13.655 5.488 724 HG2 GLU 93 2HG GLU 93 10.592 -13.893 3.352 725 HG3 GLU 93 1HG GLU 93 10.581 -12.133 3.218 726 H ASP 94 HN ASP 94 8.225 -12.665 3.903 727 HA ASP 94 HA ASP 94 7.756 -9.907 3.869 728 HB2 ASP 94 2HB ASP 94 7.159 -11.706 2.122 729 HB3 ASP 94 1HB ASP 94 5.715 -11.992 3.082 730 H LYS 95 HN LYS 95 6.009 -12.553 5.426 731 HA LYS 95 HA LYS 95 4.055 -10.950 6.735 732 HB2 LYS 95 2HB LYS 95 3.787 -13.381 6.253 733 HB3 LYS 95 1HB LYS 95 5.057 -13.728 7.411 734 HG2 LYS 95 2HG LYS 95 3.684 -12.769 9.200 735 HG3 LYS 95 1HG LYS 95 2.394 -12.470 8.035 736 HD2 LYS 95 2HD LYS 95 2.178 -14.837 7.604 737 HD3 LYS 95 1HD LYS 95 3.556 -15.185 8.648 738 HE2 LYS 95 2HE LYS 95 2.318 -14.313 10.569 739 HE3 LYS 95 1HE LYS 95 0.943 -13.962 9.525 740 HZ1 LYS 95 3HZ LYS 95 0.737 -16.068 10.777 741 HZ2 LYS 95 1HZ LYS 95 2.072 -16.682 9.931 742 HZ3 LYS 95 2HZ LYS 95 0.651 -16.283 9.097 743 H ARG 96 HN ARG 96 7.240 -12.123 7.577 744 HA ARG 96 HA ARG 96 7.105 -11.790 10.354 745 HB2 ARG 96 2HB ARG 96 8.701 -13.264 9.308 746 HB3 ARG 96 1HB ARG 96 9.427 -11.927 8.432 747 HG2 ARG 96 2HG ARG 96 10.269 -10.990 10.470 748 HG3 ARG 96 1HG ARG 96 9.433 -12.223 11.410 749 HD2 ARG 96 2HD ARG 96 10.801 -13.952 10.514 750 HD3 ARG 96 1HD ARG 96 11.500 -12.858 9.323 751 HE ARG 96 HE ARG 96 12.669 -11.751 11.125 752 HH11 ARG 96 1HH1 ARG 96 11.199 -14.840 11.918 753 HH12 ARG 96 2HH1 ARG 96 12.267 -15.134 13.264 754 HH21 ARG 96 1HH2 ARG 96 14.062 -12.147 12.866 755 HH22 ARG 96 2HH2 ARG 96 13.909 -13.611 13.791 756 H LEU 97 HN LEU 97 7.630 -9.515 7.804 757 HA LEU 97 HA LEU 97 9.022 -7.616 9.465 758 HB2 LEU 97 2HB LEU 97 7.876 -7.386 6.683 759 HB3 LEU 97 1HB LEU 97 8.810 -6.135 7.478 760 HG LEU 97 HG LEU 97 9.814 -8.889 6.745 761 HD11 LEU 97 1HD1 LEU 97 10.502 -6.188 5.597 762 HD12 LEU 97 2HD1 LEU 97 9.476 -7.397 4.823 763 HD13 LEU 97 3HD1 LEU 97 11.182 -7.741 5.113 764 HD21 LEU 97 3HD2 LEU 97 10.852 -8.045 8.793 765 HD22 LEU 97 1HD2 LEU 97 11.269 -6.543 7.968 766 HD23 LEU 97 2HD2 LEU 97 11.997 -8.066 7.452 767 H ALA 98 HN ALA 98 6.041 -8.584 9.764 768 HA ALA 98 HA ALA 98 4.794 -5.946 9.928 769 HB1 ALA 98 1HB ALA 98 3.562 -8.677 10.276 770 HB2 ALA 98 2HB ALA 98 3.507 -7.700 8.810 771 HB3 ALA 98 3HB ALA 98 2.698 -7.138 10.272 772 H PHE 99 HN PHE 99 5.530 -5.000 11.735 773 HA PHE 99 HA PHE 99 5.122 -6.440 14.280 774 HB2 PHE 99 2HB PHE 99 7.053 -4.201 13.627 775 HB3 PHE 99 1HB PHE 99 6.775 -4.827 15.248 776 HD1 PHE 99 2HD PHE 99 7.365 -7.206 15.752 777 HD2 PHE 99 1HD PHE 99 8.510 -5.281 12.133 778 HE1 PHE 99 2HE PHE 99 9.082 -8.927 15.382 779 HE2 PHE 99 1HE PHE 99 10.231 -6.999 11.760 780 HZ PHE 99 HZ PHE 99 10.518 -8.824 13.387 781 H ASP 100 HN ASP 100 3.430 -4.675 12.448 782 HA ASP 100 HA ASP 100 2.791 -2.387 14.105 783 HB2 ASP 100 2HB ASP 100 1.188 -1.850 12.344 784 HB3 ASP 100 1HB ASP 100 2.753 -2.237 11.634 785 HA PRO 101 HA PRO 101 -0.616 -4.135 16.304 786 HB2 PRO 101 2HB PRO 101 -2.441 -1.984 15.488 787 HB3 PRO 101 1HB PRO 101 -1.833 -2.390 17.094 788 HG2 PRO 101 2HG PRO 101 -1.012 -0.195 15.780 789 HG3 PRO 101 1HG PRO 101 0.070 -1.114 16.843 790 HD2 PRO 101 2HD PRO 101 -0.111 -1.126 13.852 791 HD3 PRO 101 1HD PRO 101 1.328 -1.156 14.895 792 H SER 102 HN SER 102 -1.983 -2.672 13.344 793 HA SER 102 HA SER 102 -3.041 -5.074 12.314 794 HB2 SER 102 2HB SER 102 -4.939 -3.294 13.857 795 HB3 SER 102 1HB SER 102 -5.482 -4.420 12.620 796 HG SER 102 HG SER 102 -3.793 -5.500 14.514 797 H LEU 103 HN LEU 103 -1.554 -3.326 11.052 798 HA LEU 103 HA LEU 103 -3.150 -1.318 9.697 799 HB2 LEU 103 2HB LEU 103 -0.320 -2.274 9.313 800 HB3 LEU 103 1HB LEU 103 -1.051 -1.012 8.336 801 HG LEU 103 HG LEU 103 -0.583 -0.903 11.318 802 HD11 LEU 103 1HD1 LEU 103 1.472 -0.714 10.034 803 HD12 LEU 103 2HD1 LEU 103 1.041 0.838 10.754 804 HD13 LEU 103 3HD1 LEU 103 0.751 0.551 9.037 805 HD21 LEU 103 3HD2 LEU 103 -1.691 1.186 9.445 806 HD22 LEU 103 1HD2 LEU 103 -1.327 1.414 11.157 807 HD23 LEU 103 2HD2 LEU 103 -2.606 0.303 10.666 808 H SER 104 HN SER 104 -2.947 -1.275 7.207 809 HA SER 104 HA SER 104 -3.816 -3.921 6.264 810 HB2 SER 104 2HB SER 104 -4.456 -1.213 5.073 811 HB3 SER 104 1HB SER 104 -5.161 -2.766 4.616 812 HG SER 104 HG SER 104 -5.819 -2.828 6.948 813 H TYR 105 HN TYR 105 -2.265 -4.939 5.205 814 HA TYR 105 HA TYR 105 -0.297 -3.435 3.655 815 HB2 TYR 105 2HB TYR 105 -0.471 -6.334 4.498 816 HB3 TYR 105 1HB TYR 105 0.757 -5.739 3.386 817 HD1 TYR 105 1HD TYR 105 -0.649 -4.629 6.678 818 HD2 TYR 105 2HD TYR 105 2.810 -5.457 4.351 819 HE1 TYR 105 1HE TYR 105 0.773 -4.011 8.582 820 HE2 TYR 105 2HE TYR 105 4.244 -4.838 6.249 821 HH TYR 105 HH TYR 105 2.941 -4.308 9.425 822 H LEU 106 HN LEU 106 -0.218 -3.425 1.476 823 HA LEU 106 HA LEU 106 -2.217 -5.062 0.073 824 HB2 LEU 106 2HB LEU 106 -0.993 -2.406 -0.617 825 HB3 LEU 106 1HB LEU 106 -1.772 -3.394 -1.835 826 HG LEU 106 HG LEU 106 -3.849 -3.336 -0.369 827 HD11 LEU 106 1HD1 LEU 106 -2.789 -2.612 1.705 828 HD12 LEU 106 2HD1 LEU 106 -4.031 -1.468 1.192 829 HD13 LEU 106 3HD1 LEU 106 -2.326 -1.089 0.945 830 HD21 LEU 106 3HD2 LEU 106 -2.798 -0.785 -1.583 831 HD22 LEU 106 1HD2 LEU 106 -4.486 -1.107 -1.188 832 HD23 LEU 106 2HD2 LEU 106 -3.671 -2.069 -2.420 833 H ILE 107 HN ILE 107 -1.581 -6.565 -1.303 834 HA ILE 107 HA ILE 107 1.211 -6.515 -2.230 835 HB ILE 107 HB ILE 107 -0.352 -8.972 -1.402 836 HG12 ILE 107 2HG1 ILE 107 2.120 -7.689 -0.201 837 HG13 ILE 107 1HG1 ILE 107 0.506 -7.670 0.505 838 HG21 ILE 107 1HG2 ILE 107 1.701 -10.214 -1.921 839 HG22 ILE 107 2HG2 ILE 107 2.442 -8.730 -2.522 840 HG23 ILE 107 3HG2 ILE 107 1.043 -9.415 -3.350 841 HD11 ILE 107 3HD1 ILE 107 0.585 -10.087 0.762 842 HD12 ILE 107 1HD1 ILE 107 1.945 -9.313 1.574 843 HD13 ILE 107 2HD1 ILE 107 2.187 -10.121 0.025 844 H ILE 108 HN ILE 108 1.294 -6.325 -4.346 845 HA ILE 108 HA ILE 108 -0.913 -7.436 -5.948 846 HB ILE 108 HB ILE 108 0.803 -5.037 -6.625 847 HG12 ILE 108 2HG1 ILE 108 -2.102 -5.140 -5.759 848 HG13 ILE 108 1HG1 ILE 108 -0.764 -4.602 -4.749 849 HG21 ILE 108 1HG2 ILE 108 -1.617 -6.191 -8.008 850 HG22 ILE 108 2HG2 ILE 108 0.045 -6.252 -8.594 851 HG23 ILE 108 3HG2 ILE 108 -0.786 -4.701 -8.463 852 HD11 ILE 108 3HD1 ILE 108 -0.346 -2.758 -6.291 853 HD12 ILE 108 1HD1 ILE 108 -1.992 -2.722 -5.657 854 HD13 ILE 108 2HD1 ILE 108 -1.690 -3.297 -7.296 855 H SER 109 HN SER 109 -0.375 -8.884 -7.461 856 HA SER 109 HA SER 109 2.480 -9.367 -7.925 857 HB2 SER 109 2HB SER 109 0.080 -11.171 -8.268 858 HB3 SER 109 1HB SER 109 1.723 -11.611 -8.738 859 HG SER 109 HG SER 109 1.993 -12.185 -6.753 860 H LEU 110 HN LEU 110 3.271 -8.560 -9.699 861 HA LEU 110 HA LEU 110 1.565 -8.103 -12.019 862 HB2 LEU 110 2HB LEU 110 4.276 -7.178 -11.178 863 HB3 LEU 110 1HB LEU 110 3.897 -7.202 -12.887 864 HG LEU 110 HG LEU 110 3.546 -4.995 -11.950 865 HD11 LEU 110 1HD1 LEU 110 1.012 -6.408 -12.722 866 HD12 LEU 110 2HD1 LEU 110 2.152 -5.594 -13.795 867 HD13 LEU 110 3HD1 LEU 110 1.198 -4.658 -12.645 868 HD21 LEU 110 3HD2 LEU 110 1.781 -4.573 -10.317 869 HD22 LEU 110 1HD2 LEU 110 3.051 -5.601 -9.653 870 HD23 LEU 110 2HD2 LEU 110 1.516 -6.309 -10.160 871 H ALA 111 HN ALA 111 1.760 -10.731 -11.580 872 HA ALA 111 HA ALA 111 3.888 -12.135 -12.693 873 HB1 ALA 111 1HB ALA 111 2.279 -13.960 -13.056 874 HB2 ALA 111 2HB ALA 111 0.954 -12.845 -12.721 875 HB3 ALA 111 3HB ALA 111 2.112 -13.245 -11.453 876 H GLU 112 HN GLU 112 0.865 -11.039 -14.252 877 HA GLU 112 HA GLU 112 2.483 -10.388 -16.594 878 HB2 GLU 112 2HB GLU 112 1.080 -12.637 -16.775 879 HB3 GLU 112 1HB GLU 112 -0.249 -11.523 -17.067 880 HG2 GLU 112 2HG GLU 112 0.991 -10.543 -18.932 881 HG3 GLU 112 1HG GLU 112 2.306 -11.681 -18.649 882 HA PRO 113 HA PRO 113 0.375 -6.618 -15.922 883 HB2 PRO 113 2HB PRO 113 0.741 -5.347 -18.269 884 HB3 PRO 113 1HB PRO 113 2.063 -5.666 -17.142 885 HG2 PRO 113 2HG PRO 113 1.290 -7.155 -19.621 886 HG3 PRO 113 1HG PRO 113 2.906 -6.697 -19.050 887 HD2 PRO 113 2HD PRO 113 1.856 -9.191 -18.731 888 HD3 PRO 113 1HD PRO 113 3.036 -8.483 -17.610 889 H GLN 114 HN GLN 114 -0.887 -8.817 -18.129 890 HA GLN 114 HA GLN 114 -3.008 -7.298 -19.199 891 HB2 GLN 114 2HB GLN 114 -4.091 -9.426 -19.696 892 HB3 GLN 114 1HB GLN 114 -2.389 -9.484 -20.125 893 HG2 GLN 114 2HG GLN 114 -1.872 -10.819 -18.240 894 HG3 GLN 114 1HG GLN 114 -3.470 -10.569 -17.540 895 HE21 GLN 114 1HE2 GLN 114 -2.160 -13.067 -18.140 896 HE22 GLN 114 2HE2 GLN 114 -3.174 -13.902 -19.263 897 H LYS 115 HN LYS 115 -2.679 -9.195 -16.247 898 HA LYS 115 HA LYS 115 -4.908 -7.815 -15.036 899 HB2 LYS 115 2HB LYS 115 -4.926 -10.793 -15.519 900 HB3 LYS 115 1HB LYS 115 -5.912 -10.020 -14.297 901 HG2 LYS 115 2HG LYS 115 -6.045 -9.441 -17.246 902 HG3 LYS 115 1HG LYS 115 -7.154 -10.487 -16.359 903 HD2 LYS 115 2HD LYS 115 -7.959 -8.644 -15.060 904 HD3 LYS 115 1HD LYS 115 -6.713 -7.575 -15.708 905 HE2 LYS 115 2HE LYS 115 -7.700 -7.873 -17.961 906 HE3 LYS 115 1HE LYS 115 -8.990 -8.828 -17.239 907 HZ1 LYS 115 3HZ LYS 115 -9.824 -6.969 -16.110 908 HZ2 LYS 115 1HZ LYS 115 -9.467 -6.397 -17.665 909 HZ3 LYS 115 2HZ LYS 115 -8.422 -6.056 -16.374 910 HA PRO 116 HA PRO 116 -1.455 -8.710 -12.113 911 HB2 PRO 116 2HB PRO 116 -1.742 -6.364 -10.755 912 HB3 PRO 116 1HB PRO 116 -0.734 -6.535 -12.195 913 HG2 PRO 116 2HG PRO 116 -3.498 -5.433 -11.935 914 HG3 PRO 116 1HG PRO 116 -2.142 -4.842 -12.912 915 HD2 PRO 116 2HD PRO 116 -4.187 -6.282 -13.959 916 HD3 PRO 116 1HD PRO 116 -2.532 -6.368 -14.597 917 H VAL 117 HN VAL 117 -1.831 -9.808 -10.268 918 HA VAL 117 HA VAL 117 -4.505 -9.904 -9.191 919 HB VAL 117 HB VAL 117 -1.986 -11.180 -8.096 920 HG11 VAL 117 1HG1 VAL 117 -4.896 -11.838 -7.635 921 HG12 VAL 117 2HG1 VAL 117 -3.809 -11.080 -6.469 922 HG13 VAL 117 3HG1 VAL 117 -3.523 -12.739 -6.998 923 HG21 VAL 117 3HG2 VAL 117 -2.731 -13.220 -9.253 924 HG22 VAL 117 1HG2 VAL 117 -2.359 -11.917 -10.383 925 HG23 VAL 117 2HG2 VAL 117 -4.038 -12.302 -10.001 926 H CYS 118 HN CYS 118 -5.262 -8.595 -7.679 927 HA CYS 118 HA CYS 118 -3.337 -7.180 -5.967 928 HB2 CYS 118 2HB CYS 118 -5.179 -5.400 -5.851 929 HB3 CYS 118 1HB CYS 118 -4.260 -5.526 -7.345 930 HG CYS 118 HG CYS 118 -6.281 -5.828 -8.892 931 H LYS 119 HN LYS 119 -3.413 -7.790 -3.913 932 HA LYS 119 HA LYS 119 -6.052 -8.356 -2.735 933 HB2 LYS 119 2HB LYS 119 -3.511 -9.862 -2.104 934 HB3 LYS 119 1HB LYS 119 -5.076 -10.124 -1.363 935 HG2 LYS 119 2HG LYS 119 -4.616 -10.486 -4.306 936 HG3 LYS 119 1HG LYS 119 -4.358 -11.779 -3.135 937 HD2 LYS 119 2HD LYS 119 -6.953 -10.275 -3.462 938 HD3 LYS 119 1HD LYS 119 -6.597 -11.825 -4.228 939 HE2 LYS 119 2HE LYS 119 -6.201 -12.784 -1.968 940 HE3 LYS 119 1HE LYS 119 -6.723 -11.250 -1.272 941 HZ1 LYS 119 3HZ LYS 119 -8.486 -12.967 -1.368 942 HZ2 LYS 119 1HZ LYS 119 -8.399 -12.919 -3.062 943 HZ3 LYS 119 2HZ LYS 119 -8.892 -11.541 -2.201 944 H SER 120 HN SER 120 -6.128 -8.044 -0.434 945 HA SER 120 HA SER 120 -3.969 -6.367 0.650 946 HB2 SER 120 2HB SER 120 -6.114 -5.081 0.121 947 HB3 SER 120 1HB SER 120 -6.895 -6.046 1.371 948 HG SER 120 HG SER 120 -4.506 -4.717 1.987 949 H PHE 121 HN PHE 121 -3.471 -6.776 2.848 950 HA PHE 121 HA PHE 121 -4.803 -9.130 3.982 951 HB2 PHE 121 2HB PHE 121 -1.831 -8.794 3.594 952 HB3 PHE 121 1HB PHE 121 -2.553 -10.030 4.616 953 HD1 PHE 121 2HD PHE 121 -4.139 -11.687 3.535 954 HD2 PHE 121 1HD PHE 121 -1.560 -9.144 1.308 955 HE1 PHE 121 2HE PHE 121 -4.360 -13.174 1.586 956 HE2 PHE 121 1HE PHE 121 -1.781 -10.619 -0.645 957 HZ PHE 121 HZ PHE 121 -3.178 -12.639 -0.506 958 H LEU 122 HN LEU 122 -5.211 -9.013 6.045 959 HA LEU 122 HA LEU 122 -3.844 -7.025 7.707 960 HB2 LEU 122 2HB LEU 122 -6.177 -8.846 8.337 961 HB3 LEU 122 1HB LEU 122 -5.519 -7.629 9.414 962 HG LEU 122 HG LEU 122 -6.857 -7.068 6.763 963 HD11 LEU 122 1HD1 LEU 122 -8.429 -7.875 8.441 964 HD12 LEU 122 2HD1 LEU 122 -8.676 -6.159 8.117 965 HD13 LEU 122 3HD1 LEU 122 -7.841 -6.670 9.585 966 HD21 LEU 122 3HD2 LEU 122 -5.886 -5.186 8.913 967 HD22 LEU 122 1HD2 LEU 122 -6.750 -4.731 7.445 968 HD23 LEU 122 2HD2 LEU 122 -5.133 -5.425 7.338 969 H ILE 123 HN ILE 123 -1.986 -7.737 8.535 970 HA ILE 123 HA ILE 123 -1.517 -10.596 8.668 971 HB ILE 123 HB ILE 123 0.398 -8.309 9.142 972 HG12 ILE 123 2HG1 ILE 123 -0.009 -10.079 6.716 973 HG13 ILE 123 1HG1 ILE 123 -0.467 -8.384 6.833 974 HG21 ILE 123 1HG2 ILE 123 2.147 -10.015 8.894 975 HG22 ILE 123 2HG2 ILE 123 0.905 -11.263 8.785 976 HG23 ILE 123 3HG2 ILE 123 1.103 -10.345 10.277 977 HD11 ILE 123 3HD1 ILE 123 1.891 -7.779 7.098 978 HD12 ILE 123 1HD1 ILE 123 1.590 -8.637 5.588 979 HD13 ILE 123 2HD1 ILE 123 2.334 -9.481 6.947 980 H LYS 124 HN LYS 124 -1.922 -11.682 10.440 981 HA LYS 124 HA LYS 124 -1.400 -10.389 13.031 982 HB2 LYS 124 2HB LYS 124 -3.392 -12.554 12.335 983 HB3 LYS 124 1HB LYS 124 -2.973 -12.112 13.981 984 HG2 LYS 124 2HG LYS 124 -3.755 -9.781 13.425 985 HG3 LYS 124 1HG LYS 124 -4.403 -10.455 11.925 986 HD2 LYS 124 2HD LYS 124 -5.739 -12.047 13.229 987 HD3 LYS 124 1HD LYS 124 -5.096 -11.365 14.722 988 HE2 LYS 124 2HE LYS 124 -6.075 -9.166 14.029 989 HE3 LYS 124 1HE LYS 124 -6.859 -10.007 12.693 990 HZ1 LYS 124 3HZ LYS 124 -8.401 -9.850 14.489 991 HZ2 LYS 124 1HZ LYS 124 -7.278 -10.484 15.594 992 HZ3 LYS 124 2HZ LYS 124 -7.917 -11.474 14.374 993 H LYS 125 HN LYS 125 -0.912 -12.039 14.743 994 HA LYS 125 HA LYS 125 1.311 -13.661 14.124 995 HB2 LYS 125 2HB LYS 125 0.906 -12.744 16.337 996 HB3 LYS 125 1HB LYS 125 -0.594 -13.635 16.469 997 HG2 LYS 125 2HG LYS 125 0.753 -15.743 16.356 998 HG3 LYS 125 1HG LYS 125 2.199 -14.736 16.493 999 HD2 LYS 125 2HD LYS 125 1.443 -15.622 18.679 1000 HD3 LYS 125 1HD LYS 125 1.432 -13.855 18.614 1001 HE2 LYS 125 2HE LYS 125 -1.019 -14.043 17.974 1002 HE3 LYS 125 1HE LYS 125 -0.908 -15.740 18.438 1003 HZ1 LYS 125 3HZ LYS 125 -0.293 -15.082 20.658 1004 HZ2 LYS 125 1HZ LYS 125 -1.745 -14.326 20.225 1005 HZ3 LYS 125 2HZ LYS 125 -0.298 -13.445 20.217 1006 H ASP 126 HN ASP 126 -1.955 -14.485 15.108 1007 HA ASP 126 HA ASP 126 -1.989 -17.211 14.859 1008 HB2 ASP 126 2HB ASP 126 -4.249 -15.362 14.065 1009 HB3 ASP 126 1HB ASP 126 -4.403 -17.041 14.570 1010 H GLY 127 HN GLY 127 -2.634 -14.837 12.312 1011 HA2 GLY 127 2HA GLY 127 -1.607 -16.418 10.242 1012 HA3 GLY 127 1HA GLY 127 -3.350 -16.654 10.302 1013 H VAL 128 HN VAL 128 -3.195 -15.685 8.112 1014 HA VAL 128 HA VAL 128 -3.180 -12.749 8.337 1015 HB VAL 128 HB VAL 128 -1.296 -13.574 6.979 1016 HG11 VAL 128 1HG1 VAL 128 -1.711 -14.563 4.770 1017 HG12 VAL 128 2HG1 VAL 128 -3.426 -14.690 5.166 1018 HG13 VAL 128 3HG1 VAL 128 -2.237 -15.608 6.090 1019 HG21 VAL 128 3HG2 VAL 128 -3.396 -12.084 5.417 1020 HG22 VAL 128 1HG2 VAL 128 -1.676 -12.138 5.031 1021 HG23 VAL 128 2HG2 VAL 128 -2.220 -11.384 6.530 1022 H ASP 129 HN ASP 129 -4.942 -11.678 7.652 1023 HA ASP 129 HA ASP 129 -7.118 -13.304 6.512 1024 HB2 ASP 129 2HB ASP 129 -7.438 -12.159 8.770 1025 HB3 ASP 129 1HB ASP 129 -7.422 -10.636 7.887 1026 H GLU 130 HN GLU 130 -7.985 -12.736 4.562 1027 HA GLU 130 HA GLU 130 -6.521 -10.675 3.125 1028 HB2 GLU 130 2HB GLU 130 -7.444 -11.771 1.111 1029 HB3 GLU 130 1HB GLU 130 -6.462 -12.834 2.096 1030 HG2 GLU 130 2HG GLU 130 -8.479 -13.858 3.003 1031 HG3 GLU 130 1HG GLU 130 -9.474 -12.770 2.032 1032 H GLU 131 HN GLU 131 -7.377 -8.850 2.515 1033 HA GLU 131 HA GLU 131 -10.289 -8.498 2.710 1034 HB2 GLU 131 2HB GLU 131 -8.898 -7.025 4.149 1035 HB3 GLU 131 1HB GLU 131 -8.108 -6.399 2.712 1036 HG2 GLU 131 2HG GLU 131 -9.821 -4.878 3.546 1037 HG3 GLU 131 1HG GLU 131 -10.195 -5.465 1.926 1038 H GLU 132 HN GLU 132 -11.412 -7.648 0.976 1039 HA GLU 132 HA GLU 132 -10.081 -7.942 -1.589 1040 HB2 GLU 132 2HB GLU 132 -12.954 -7.688 -0.740 1041 HB3 GLU 132 1HB GLU 132 -12.468 -7.602 -2.423 1042 HG2 GLU 132 2HG GLU 132 -11.977 -9.911 -0.567 1043 HG3 GLU 132 1HG GLU 132 -13.222 -9.830 -1.812 1044 H ILE 133 HN ILE 133 -10.110 -6.354 -3.184 1045 HA ILE 133 HA ILE 133 -10.127 -3.637 -2.089 1046 HB ILE 133 HB ILE 133 -8.902 -4.660 -4.657 1047 HG12 ILE 133 2HG1 ILE 133 -7.607 -3.902 -2.025 1048 HG13 ILE 133 1HG1 ILE 133 -7.797 -5.543 -2.637 1049 HG21 ILE 133 1HG2 ILE 133 -7.780 -2.483 -4.746 1050 HG22 ILE 133 2HG2 ILE 133 -8.662 -1.972 -3.309 1051 HG23 ILE 133 3HG2 ILE 133 -9.534 -2.309 -4.803 1052 HD11 ILE 133 3HD1 ILE 133 -5.537 -4.715 -2.979 1053 HD12 ILE 133 1HD1 ILE 133 -6.167 -3.362 -3.921 1054 HD13 ILE 133 2HD1 ILE 133 -6.347 -5.011 -4.515 1055 H ILE 134 HN ILE 134 -11.710 -2.303 -2.557 1056 HA ILE 134 HA ILE 134 -13.469 -2.919 -4.819 1057 HB ILE 134 HB ILE 134 -13.838 -1.245 -2.343 1058 HG12 ILE 134 2HG1 ILE 134 -15.951 -2.612 -2.205 1059 HG13 ILE 134 1HG1 ILE 134 -15.376 -3.533 -3.589 1060 HG21 ILE 134 1HG2 ILE 134 -14.634 0.143 -4.160 1061 HG22 ILE 134 2HG2 ILE 134 -15.992 -0.472 -3.216 1062 HG23 ILE 134 3HG2 ILE 134 -15.607 -1.193 -4.780 1063 HD11 ILE 134 3HD1 ILE 134 -14.027 -3.334 -0.910 1064 HD12 ILE 134 1HD1 ILE 134 -13.434 -4.256 -2.292 1065 HD13 ILE 134 2HD1 ILE 134 -14.952 -4.708 -1.513 1066 H LEU 135 HN LEU 135 -13.285 -1.806 -6.630 1067 HA LEU 135 HA LEU 135 -11.487 0.498 -6.673 1068 HB2 LEU 135 2HB LEU 135 -12.567 -1.218 -8.911 1069 HB3 LEU 135 1HB LEU 135 -11.443 0.109 -9.118 1070 HG LEU 135 HG LEU 135 -10.881 -2.424 -7.571 1071 HD11 LEU 135 1HD1 LEU 135 -9.896 -1.514 -10.269 1072 HD12 LEU 135 2HD1 LEU 135 -11.036 -2.826 -9.969 1073 HD13 LEU 135 3HD1 LEU 135 -9.369 -2.961 -9.409 1074 HD21 LEU 135 3HD2 LEU 135 -8.585 -1.612 -7.500 1075 HD22 LEU 135 1HD2 LEU 135 -9.678 -0.487 -6.693 1076 HD23 LEU 135 2HD2 LEU 135 -9.076 -0.125 -8.311 1077 H LYS 136 HN LYS 136 -12.275 2.471 -6.818 1078 HA LYS 136 HA LYS 136 -14.993 2.847 -7.857 1079 HB2 LYS 136 2HB LYS 136 -13.229 4.629 -6.177 1080 HB3 LYS 136 1HB LYS 136 -14.735 5.177 -6.898 1081 HG2 LYS 136 2HG LYS 136 -15.848 3.257 -5.663 1082 HG3 LYS 136 1HG LYS 136 -14.336 3.104 -4.767 1083 HD2 LYS 136 2HD LYS 136 -14.537 5.406 -3.995 1084 HD3 LYS 136 1HD LYS 136 -16.015 5.609 -4.941 1085 HE2 LYS 136 2HE LYS 136 -16.972 3.688 -3.598 1086 HE3 LYS 136 1HE LYS 136 -15.567 3.839 -2.544 1087 HZ1 LYS 136 3HZ LYS 136 -17.504 5.044 -1.700 1088 HZ2 LYS 136 1HZ LYS 136 -17.528 6.001 -3.100 1089 HZ3 LYS 136 2HZ LYS 136 -16.217 6.103 -2.023 1090 H GLU 137 HN GLU 137 -15.400 4.645 -9.292 1091 HA GLU 137 HA GLU 137 -13.399 4.759 -11.384 1092 HB2 GLU 137 2HB GLU 137 -15.958 4.503 -11.627 1093 HB3 GLU 137 1HB GLU 137 -16.033 6.220 -11.293 1094 HG2 GLU 137 2HG GLU 137 -14.431 5.079 -13.561 1095 HG3 GLU 137 1HG GLU 137 -16.125 5.535 -13.716 1096 H GLU 138 HN GLU 138 -14.649 6.668 -8.869 1097 HA GLU 138 HA GLU 138 -12.929 8.923 -9.632 1098 HB2 GLU 138 2HB GLU 138 -15.365 9.285 -10.197 1099 HB3 GLU 138 1HB GLU 138 -15.701 9.225 -8.475 1100 HG2 GLU 138 2HG GLU 138 -14.471 11.205 -8.076 1101 HG3 GLU 138 1HG GLU 138 -13.788 11.187 -9.702 1102 H LEU 139 HN LEU 139 -12.355 10.314 -7.838 1103 HA LEU 139 HA LEU 139 -11.522 8.818 -5.580 1104 HB2 LEU 139 2HB LEU 139 -11.535 11.797 -6.071 1105 HB3 LEU 139 1HB LEU 139 -10.748 11.022 -4.711 1106 HG LEU 139 HG LEU 139 -10.028 10.539 -7.603 1107 HD11 LEU 139 1HD1 LEU 139 -8.019 11.865 -7.102 1108 HD12 LEU 139 2HD1 LEU 139 -8.687 12.254 -5.516 1109 HD13 LEU 139 3HD1 LEU 139 -9.496 12.819 -6.976 1110 HD21 LEU 139 3HD2 LEU 139 -8.046 9.454 -6.672 1111 HD22 LEU 139 1HD2 LEU 139 -9.524 8.651 -6.140 1112 HD23 LEU 139 2HD2 LEU 139 -8.659 9.724 -5.040 1113 H GLU 140 HN GLU 140 -11.956 9.488 -3.317 1114 HA GLU 140 HA GLU 140 -14.763 9.580 -2.810 1115 HB2 GLU 140 2HB GLU 140 -12.919 8.424 -1.418 1116 HB3 GLU 140 1HB GLU 140 -12.611 10.019 -0.747 1117 HG2 GLU 140 2HG GLU 140 -14.114 8.567 0.616 1118 HG3 GLU 140 1HG GLU 140 -14.781 10.144 0.191 1119 H HIS 141 HN HIS 141 -15.877 11.271 -1.656 1120 HA HIS 141 HA HIS 141 -16.560 13.438 -1.430 1121 HB2 HIS 141 2HB HIS 141 -14.405 13.905 -0.313 1122 HB3 HIS 141 1HB HIS 141 -13.639 14.142 -1.875 1123 HD1 HIS 141 1HD HIS 141 -13.714 16.453 -2.847 1124 HD2 HIS 141 2HD HIS 141 -16.282 15.989 0.395 1125 HE1 HIS 141 1HE HIS 141 -14.552 18.760 -2.308 1126 HE2 HIS 141 2HE HIS 141 -16.238 18.432 -0.469 1127 H HIS 142 HN HIS 142 -16.717 15.512 -2.853 1128 HA HIS 142 HA HIS 142 -17.002 16.565 -4.847 1129 HB2 HIS 142 2HB HIS 142 -14.766 15.920 -5.569 1130 HB3 HIS 142 1HB HIS 142 -15.339 14.317 -6.017 1131 HD1 HIS 142 1HD HIS 142 -16.264 14.027 -8.353 1132 HD2 HIS 142 2HD HIS 142 -15.766 18.026 -7.293 1133 HE1 HIS 142 1HE HIS 142 -16.679 15.348 -10.451 1134 HE2 HIS 142 2HE HIS 142 -16.579 17.763 -9.735 1135 H HIS 143 HN HIS 143 -17.200 13.038 -5.390 1136 HA HIS 143 HA HIS 143 -19.357 13.239 -7.208 1137 HB2 HIS 143 2HB HIS 143 -19.541 10.844 -7.067 1138 HB3 HIS 143 1HB HIS 143 -17.834 11.262 -7.044 1139 HD1 HIS 143 1HD HIS 143 -20.389 9.393 -5.216 1140 HD2 HIS 143 2HD HIS 143 -16.645 11.015 -4.390 1141 HE1 HIS 143 1HE HIS 143 -19.624 8.291 -3.094 1142 HE2 HIS 143 2HE HIS 143 -17.419 9.384 -2.531 1143 H HIS 144 HN HIS 144 -21.515 13.155 -6.961 1144 HA HIS 144 HA HIS 144 -22.633 12.762 -4.280 1145 HB2 HIS 144 2HB HIS 144 -22.693 15.259 -5.866 1146 HB3 HIS 144 1HB HIS 144 -24.235 14.765 -5.180 1147 HD1 HIS 144 1HD HIS 144 -20.884 14.363 -3.454 1148 HD2 HIS 144 2HD HIS 144 -24.380 16.596 -3.147 1149 HE1 HIS 144 1HE HIS 144 -20.699 15.621 -1.284 1150 HE2 HIS 144 2HE HIS 144 -22.887 16.849 -1.049 1151 H HIS 145 HN HIS 145 -25.171 12.830 -4.545 1152 HA HIS 145 HA HIS 145 -25.810 11.303 -6.978 1153 HB2 HIS 145 2HB HIS 145 -27.366 9.926 -5.502 1154 HB3 HIS 145 1HB HIS 145 -25.642 9.619 -5.342 1155 HD1 HIS 145 1HD HIS 145 -24.621 9.910 -3.059 1156 HD2 HIS 145 2HD HIS 145 -28.511 11.375 -3.275 1157 HE1 HIS 145 1HE HIS 145 -25.280 10.436 -0.692 1158 HE2 HIS 145 2HE HIS 145 -27.698 11.127 -0.824 1159 H HIS 146 HN HIS 146 -27.739 11.652 -7.918 1160 HA HIS 146 HA HIS 146 -29.878 13.085 -6.704 1161 HB2 HIS 146 2HB HIS 146 -28.337 14.983 -7.092 1162 HB3 HIS 146 1HB HIS 146 -28.240 14.553 -8.796 1163 HD1 HIS 146 1HD HIS 146 -30.002 15.489 -10.313 1164 HD2 HIS 146 2HD HIS 146 -30.958 15.936 -6.290 1165 HE1 HIS 146 1HE HIS 146 -32.038 16.967 -10.259 1166 HE2 HIS 146 2HE HIS 146 -32.500 17.360 -7.810 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -14.095 -1.227 5.197 2 H2 MET 1 H2 MET 1 -12.990 -2.406 5.698 3 H3 MET 1 H3 MET 1 -14.594 -2.837 5.361 4 HA MET 1 HA MET 1 -13.067 -3.486 3.588 5 HB2 MET 1 2HB MET 1 -14.532 -2.925 1.887 6 HB3 MET 1 1HB MET 1 -15.537 -2.608 3.292 7 HG2 MET 1 2HG MET 1 -14.037 -0.577 1.655 8 HG3 MET 1 1HG MET 1 -15.776 -0.836 1.681 9 HE1 MET 1 2HE MET 1 -15.018 2.703 3.374 10 HE2 MET 1 3HE MET 1 -15.653 1.900 1.940 11 HE3 MET 1 1HE MET 1 -13.914 1.924 2.239 12 H ILE 2 HN ILE 2 -11.887 -2.593 1.634 13 HA ILE 2 HA ILE 2 -10.652 -0.001 2.286 14 HB ILE 2 HB ILE 2 -8.984 -1.725 2.564 15 HG12 ILE 2 2HG1 ILE 2 -8.544 -0.259 -0.047 16 HG13 ILE 2 1HG1 ILE 2 -8.276 0.411 1.558 17 HG21 ILE 2 1HG2 ILE 2 -9.959 -3.483 1.219 18 HG22 ILE 2 2HG2 ILE 2 -8.292 -3.192 0.727 19 HG23 ILE 2 3HG2 ILE 2 -9.623 -2.577 -0.255 20 HD11 ILE 2 3HD1 ILE 2 -6.538 -1.263 1.956 21 HD12 ILE 2 1HD1 ILE 2 -6.187 -0.266 0.545 22 HD13 ILE 2 2HD1 ILE 2 -6.797 -1.907 0.336 23 H THR 3 HN THR 3 -10.939 1.552 0.837 24 HA THR 3 HA THR 3 -11.867 0.763 -1.847 25 HB THR 3 HB THR 3 -12.637 3.243 -0.291 26 HG1 THR 3 1HG THR 3 -14.184 0.947 -0.974 27 HG21 THR 3 3HG2 THR 3 -13.644 2.199 -2.945 28 HG22 THR 3 1HG2 THR 3 -12.610 3.610 -2.719 29 HG23 THR 3 2HG2 THR 3 -14.256 3.615 -2.089 30 H LEU 4 HN LEU 4 -10.659 1.385 -3.485 31 HA LEU 4 HA LEU 4 -9.218 3.905 -3.357 32 HB2 LEU 4 2HB LEU 4 -7.171 2.844 -4.326 33 HB3 LEU 4 1HB LEU 4 -7.478 2.468 -2.649 34 HG LEU 4 HG LEU 4 -8.613 0.311 -3.705 35 HD11 LEU 4 1HD1 LEU 4 -8.271 1.016 -6.018 36 HD12 LEU 4 2HD1 LEU 4 -7.403 -0.475 -5.655 37 HD13 LEU 4 3HD1 LEU 4 -6.529 1.055 -5.750 38 HD21 LEU 4 3HD2 LEU 4 -6.799 0.283 -2.105 39 HD22 LEU 4 1HD2 LEU 4 -5.643 0.699 -3.370 40 HD23 LEU 4 2HD2 LEU 4 -6.475 -0.857 -3.410 41 H THR 5 HN THR 5 -8.333 4.457 -5.553 42 HA THR 5 HA THR 5 -10.472 3.827 -7.445 43 HB THR 5 HB THR 5 -9.889 5.829 -8.622 44 HG1 THR 5 1HG THR 5 -8.024 7.080 -7.587 45 HG21 THR 5 3HG2 THR 5 -11.191 6.208 -6.604 46 HG22 THR 5 1HG2 THR 5 -10.068 7.544 -6.850 47 HG23 THR 5 2HG2 THR 5 -9.715 6.306 -5.642 48 H LYS 6 HN LYS 6 -9.834 3.736 -9.781 49 HA LYS 6 HA LYS 6 -7.952 1.760 -10.381 50 HB2 LYS 6 2HB LYS 6 -9.826 3.340 -11.781 51 HB3 LYS 6 1HB LYS 6 -8.286 3.599 -12.584 52 HG2 LYS 6 2HG LYS 6 -9.402 0.870 -12.014 53 HG3 LYS 6 1HG LYS 6 -9.714 1.757 -13.506 54 HD2 LYS 6 2HD LYS 6 -7.273 1.865 -13.905 55 HD3 LYS 6 1HD LYS 6 -7.019 0.889 -12.455 56 HE2 LYS 6 2HE LYS 6 -8.238 -0.950 -13.422 57 HE3 LYS 6 1HE LYS 6 -8.674 0.027 -14.824 58 HZ1 LYS 6 3HZ LYS 6 -6.857 -1.475 -15.316 59 HZ2 LYS 6 1HZ LYS 6 -5.918 -0.799 -14.074 60 HZ3 LYS 6 2HZ LYS 6 -6.337 0.136 -15.427 61 H LYS 7 HN LYS 7 -7.710 5.254 -10.255 62 HA LYS 7 HA LYS 7 -5.135 5.542 -11.357 63 HB2 LYS 7 2HB LYS 7 -7.055 7.252 -10.831 64 HB3 LYS 7 1HB LYS 7 -6.262 7.383 -9.271 65 HG2 LYS 7 2HG LYS 7 -4.780 7.795 -11.844 66 HG3 LYS 7 1HG LYS 7 -5.675 9.087 -11.048 67 HD2 LYS 7 2HD LYS 7 -4.328 8.678 -8.998 68 HD3 LYS 7 1HD LYS 7 -3.371 7.510 -9.914 69 HE2 LYS 7 2HE LYS 7 -2.687 9.253 -11.461 70 HE3 LYS 7 1HE LYS 7 -3.695 10.425 -10.612 71 HZ1 LYS 7 3HZ LYS 7 -1.825 10.873 -9.502 72 HZ2 LYS 7 1HZ LYS 7 -1.080 9.408 -9.928 73 HZ3 LYS 7 2HZ LYS 7 -2.165 9.457 -8.626 74 H GLN 8 HN GLN 8 -6.294 5.122 -8.014 75 HA GLN 8 HA GLN 8 -3.767 5.356 -6.764 76 HB2 GLN 8 2HB GLN 8 -6.074 3.657 -5.795 77 HB3 GLN 8 1HB GLN 8 -4.783 4.348 -4.825 78 HG2 GLN 8 2HG GLN 8 -6.975 5.846 -6.231 79 HG3 GLN 8 1HG GLN 8 -6.819 5.580 -4.498 80 HE21 GLN 8 1HE2 GLN 8 -5.322 6.757 -3.337 81 HE22 GLN 8 2HE2 GLN 8 -4.570 8.175 -3.977 82 H MET 9 HN MET 9 -5.542 2.573 -8.052 83 HA MET 9 HA MET 9 -3.677 0.591 -7.338 84 HB2 MET 9 2HB MET 9 -5.919 0.043 -8.149 85 HB3 MET 9 1HB MET 9 -5.540 0.728 -9.722 86 HG2 MET 9 2HG MET 9 -3.846 -0.996 -10.068 87 HG3 MET 9 1HG MET 9 -4.218 -1.679 -8.487 88 HE1 MET 9 3HE MET 9 -7.319 -1.463 -8.278 89 HE2 MET 9 1HE MET 9 -6.454 -2.950 -7.893 90 HE3 MET 9 2HE MET 9 -7.854 -2.997 -8.964 91 H GLU 10 HN GLU 10 -3.959 2.622 -10.234 92 HA GLU 10 HA GLU 10 -1.711 1.620 -11.556 93 HB2 GLU 10 2HB GLU 10 -3.382 4.080 -11.713 94 HB3 GLU 10 1HB GLU 10 -1.879 4.011 -12.608 95 HG2 GLU 10 2HG GLU 10 -4.134 2.040 -12.820 96 HG3 GLU 10 1HG GLU 10 -3.776 3.324 -13.970 97 H GLU 11 HN GLU 11 -2.065 4.197 -9.144 98 HA GLU 11 HA GLU 11 0.534 5.208 -9.274 99 HB2 GLU 11 2HB GLU 11 -1.639 5.140 -7.249 100 HB3 GLU 11 1HB GLU 11 -0.033 5.535 -6.674 101 HG2 GLU 11 2HG GLU 11 0.098 7.353 -8.305 102 HG3 GLU 11 1HG GLU 11 -1.524 6.955 -8.859 103 H MET 12 HN MET 12 -0.793 2.467 -7.488 104 HA MET 12 HA MET 12 1.660 1.735 -6.237 105 HB2 MET 12 2HB MET 12 -0.826 0.118 -6.835 106 HB3 MET 12 1HB MET 12 0.516 -0.465 -5.864 107 HG2 MET 12 2HG MET 12 0.140 1.428 -4.307 108 HG3 MET 12 1HG MET 12 -1.288 1.860 -5.244 109 HE1 MET 12 3HE MET 12 -2.389 -1.045 -6.026 110 HE2 MET 12 1HE MET 12 -3.438 0.260 -5.473 111 HE3 MET 12 2HE MET 12 -3.541 -1.334 -4.721 112 H LEU 13 HN LEU 13 -0.053 0.548 -9.110 113 HA LEU 13 HA LEU 13 1.805 -1.445 -9.793 114 HB2 LEU 13 2HB LEU 13 -0.232 0.048 -11.427 115 HB3 LEU 13 1HB LEU 13 0.737 -1.254 -12.084 116 HG LEU 13 HG LEU 13 -1.249 -1.471 -9.819 117 HD11 LEU 13 1HD1 LEU 13 -1.285 -2.597 -12.616 118 HD12 LEU 13 2HD1 LEU 13 -2.274 -1.263 -12.022 119 HD13 LEU 13 3HD1 LEU 13 -2.492 -2.885 -11.365 120 HD21 LEU 13 3HD2 LEU 13 0.512 -3.580 -11.064 121 HD22 LEU 13 1HD2 LEU 13 -0.777 -3.880 -9.899 122 HD23 LEU 13 2HD2 LEU 13 0.640 -2.945 -9.425 123 H ALA 14 HN ALA 14 1.556 1.935 -10.824 124 HA ALA 14 HA ALA 14 3.568 1.893 -12.771 125 HB1 ALA 14 1HB ALA 14 2.774 4.182 -10.972 126 HB2 ALA 14 2HB ALA 14 2.031 3.773 -12.517 127 HB3 ALA 14 3HB ALA 14 3.709 4.316 -12.462 128 H HIS 15 HN HIS 15 3.727 2.417 -9.280 129 HA HIS 15 HA HIS 15 6.472 2.953 -9.104 130 HB2 HIS 15 2HB HIS 15 4.920 3.239 -7.214 131 HB3 HIS 15 1HB HIS 15 4.746 1.495 -7.096 132 HD1 HIS 15 1HD HIS 15 7.762 3.837 -7.206 133 HD2 HIS 15 2HD HIS 15 6.249 0.626 -5.031 134 HE1 HIS 15 1HE HIS 15 9.483 3.337 -5.440 135 HE2 HIS 15 2HE HIS 15 8.404 1.591 -3.977 136 H ALA 16 HN ALA 16 4.698 -0.099 -9.085 137 HA ALA 16 HA ALA 16 6.915 -1.796 -8.712 138 HB1 ALA 16 1HB ALA 16 4.608 -2.551 -8.429 139 HB2 ALA 16 2HB ALA 16 5.483 -3.576 -9.564 140 HB3 ALA 16 3HB ALA 16 4.336 -2.378 -10.163 141 H ARG 17 HN ARG 17 5.334 -0.611 -11.661 142 HA ARG 17 HA ARG 17 6.958 -1.967 -13.516 143 HB2 ARG 17 2HB ARG 17 5.561 0.702 -13.828 144 HB3 ARG 17 1HB ARG 17 6.188 -0.283 -15.142 145 HG2 ARG 17 2HG ARG 17 4.574 -2.001 -14.709 146 HG3 ARG 17 1HG ARG 17 4.028 -1.179 -13.244 147 HD2 ARG 17 2HD ARG 17 3.328 0.746 -14.650 148 HD3 ARG 17 1HD ARG 17 3.760 -0.187 -16.082 149 HE ARG 17 HE ARG 17 2.027 -1.823 -15.279 150 HH11 ARG 17 1HH1 ARG 17 1.848 1.587 -14.494 151 HH12 ARG 17 2HH1 ARG 17 0.117 1.582 -14.315 152 HH21 ARG 17 1HH2 ARG 17 -0.261 -1.812 -15.036 153 HH22 ARG 17 2HH2 ARG 17 -1.069 -0.336 -14.587 154 H GLN 18 HN GLN 18 7.303 1.181 -11.968 155 HA GLN 18 HA GLN 18 9.609 1.976 -13.430 156 HB2 GLN 18 2HB GLN 18 8.026 3.512 -12.276 157 HB3 GLN 18 1HB GLN 18 8.640 2.931 -10.736 158 HG2 GLN 18 2HG GLN 18 10.908 3.708 -11.463 159 HG3 GLN 18 1HG GLN 18 10.115 4.499 -12.826 160 HE21 GLN 18 1HE2 GLN 18 8.753 6.259 -12.441 161 HE22 GLN 18 2HE2 GLN 18 8.783 7.127 -10.937 162 H ALA 19 HN ALA 19 9.102 0.333 -10.369 163 HA ALA 19 HA ALA 19 11.917 0.516 -9.688 164 HB1 ALA 19 1HB ALA 19 10.265 0.884 -7.946 165 HB2 ALA 19 2HB ALA 19 11.280 -0.507 -7.570 166 HB3 ALA 19 3HB ALA 19 9.639 -0.749 -8.174 167 H LEU 20 HN LEU 20 10.413 -1.408 -11.789 168 HA LEU 20 HA LEU 20 11.121 -4.017 -11.105 169 HB2 LEU 20 2HB LEU 20 11.002 -2.633 -13.778 170 HB3 LEU 20 1HB LEU 20 11.334 -4.344 -13.614 171 HG LEU 20 HG LEU 20 8.802 -2.963 -12.722 172 HD11 LEU 20 1HD1 LEU 20 7.767 -4.191 -14.577 173 HD12 LEU 20 2HD1 LEU 20 9.356 -4.777 -15.066 174 HD13 LEU 20 3HD1 LEU 20 8.991 -3.053 -15.141 175 HD21 LEU 20 3HD2 LEU 20 9.365 -4.887 -11.321 176 HD22 LEU 20 1HD2 LEU 20 9.536 -5.891 -12.760 177 HD23 LEU 20 2HD2 LEU 20 7.961 -5.222 -12.334 178 HA PRO 21 HA PRO 21 11.888 -5.723 -11.756 179 HB2 PRO 21 2HB PRO 21 13.664 -7.683 -11.497 180 HB3 PRO 21 1HB PRO 21 13.484 -6.826 -13.032 181 HG2 PRO 21 2HG PRO 21 15.641 -6.639 -11.005 182 HG3 PRO 21 1HG PRO 21 15.716 -6.385 -12.755 183 HD2 PRO 21 2HD PRO 21 15.477 -4.406 -10.702 184 HD3 PRO 21 1HD PRO 21 15.495 -4.154 -12.458 185 H ASN 22 HN ASN 22 12.614 -4.044 -9.384 186 HA ASN 22 HA ASN 22 13.198 -5.941 -7.277 187 HB2 ASN 22 2HB ASN 22 12.385 -3.030 -7.095 188 HB3 ASN 22 1HB ASN 22 12.960 -4.018 -5.757 189 HD21 ASN 22 1HD2 ASN 22 14.051 -1.566 -6.754 190 HD22 ASN 22 2HD2 ASN 22 15.673 -1.900 -7.240 191 H GLU 23 HN GLU 23 11.612 -5.297 -5.217 192 HA GLU 23 HA GLU 23 9.103 -6.490 -6.030 193 HB2 GLU 23 2HB GLU 23 8.805 -6.429 -3.409 194 HB3 GLU 23 1HB GLU 23 9.832 -7.625 -4.184 195 HG2 GLU 23 2HG GLU 23 10.919 -6.705 -2.234 196 HG3 GLU 23 1HG GLU 23 11.798 -6.256 -3.696 197 H ALA 24 HN ALA 24 10.311 -3.483 -4.943 198 HA ALA 24 HA ALA 24 9.454 -1.388 -4.980 199 HB1 ALA 24 1HB ALA 24 8.542 -2.044 -7.157 200 HB2 ALA 24 2HB ALA 24 7.497 -0.903 -6.310 201 HB3 ALA 24 3HB ALA 24 7.077 -2.616 -6.358 202 H CYS 25 HN CYS 25 9.203 -0.927 -2.855 203 HA CYS 25 HA CYS 25 6.519 -1.381 -1.734 204 HB2 CYS 25 2HB CYS 25 9.183 -1.071 -0.360 205 HB3 CYS 25 1HB CYS 25 7.652 -0.940 0.498 206 HG CYS 25 HG CYS 25 9.158 -3.672 -0.811 207 H GLY 26 HN GLY 26 5.837 0.291 -0.161 208 HA2 GLY 26 2HA GLY 26 6.895 2.920 -0.192 209 HA3 GLY 26 1HA GLY 26 5.541 2.795 -1.315 210 H LEU 27 HN LEU 27 4.460 4.343 0.180 211 HA LEU 27 HA LEU 27 3.280 2.857 2.437 212 HB2 LEU 27 2HB LEU 27 3.999 5.783 2.302 213 HB3 LEU 27 1HB LEU 27 2.973 5.095 3.545 214 HG LEU 27 HG LEU 27 5.875 4.408 3.059 215 HD11 LEU 27 1HD1 LEU 27 6.210 5.471 5.249 216 HD12 LEU 27 2HD1 LEU 27 4.506 5.919 5.281 217 HD13 LEU 27 3HD1 LEU 27 5.574 6.602 4.055 218 HD21 LEU 27 3HD2 LEU 27 3.980 3.428 5.191 219 HD22 LEU 27 1HD2 LEU 27 5.701 3.062 5.082 220 HD23 LEU 27 2HD2 LEU 27 4.594 2.472 3.842 221 H LEU 28 HN LEU 28 1.106 3.338 2.949 222 HA LEU 28 HA LEU 28 -0.408 4.545 0.724 223 HB2 LEU 28 2HB LEU 28 -1.123 2.208 2.494 224 HB3 LEU 28 1HB LEU 28 -2.253 2.987 1.403 225 HG LEU 28 HG LEU 28 0.286 1.589 0.555 226 HD11 LEU 28 1HD1 LEU 28 -1.362 0.024 1.426 227 HD12 LEU 28 2HD1 LEU 28 -1.215 -0.128 -0.327 228 HD13 LEU 28 3HD1 LEU 28 -2.595 0.719 0.373 229 HD21 LEU 28 3HD2 LEU 28 -1.987 2.750 -1.054 230 HD22 LEU 28 1HD2 LEU 28 -0.630 1.830 -1.704 231 HD23 LEU 28 2HD2 LEU 28 -0.349 3.398 -0.949 232 H GLY 29 HN GLY 29 -1.803 6.126 1.230 233 HA2 GLY 29 2HA GLY 29 -2.197 6.643 4.110 234 HA3 GLY 29 1HA GLY 29 -1.852 7.922 2.954 235 H GLY 30 HN GLY 30 -4.034 7.988 4.630 236 HA2 GLY 30 2HA GLY 30 -6.109 8.797 3.110 237 HA3 GLY 30 1HA GLY 30 -6.374 7.059 3.223 238 H ARG 31 HN ARG 31 -8.268 7.310 4.409 239 HA ARG 31 HA ARG 31 -7.834 8.059 7.204 240 HB2 ARG 31 2HB ARG 31 -9.932 9.111 5.343 241 HB3 ARG 31 1HB ARG 31 -10.250 9.010 7.070 242 HG2 ARG 31 2HG ARG 31 -8.389 10.454 7.549 243 HG3 ARG 31 1HG ARG 31 -7.915 10.468 5.851 244 HD2 ARG 31 2HD ARG 31 -10.679 11.312 6.500 245 HD3 ARG 31 1HD ARG 31 -9.376 12.404 6.964 246 HE ARG 31 HE ARG 31 -9.446 11.415 4.198 247 HH11 ARG 31 1HH1 ARG 31 -9.996 14.023 6.478 248 HH12 ARG 31 2HH1 ARG 31 -9.918 15.269 5.275 249 HH21 ARG 31 1HH2 ARG 31 -9.350 13.041 2.601 250 HH22 ARG 31 2HH2 ARG 31 -9.537 14.717 3.059 251 H ARG 32 HN ARG 32 -9.049 6.973 8.703 252 HA ARG 32 HA ARG 32 -10.803 4.841 7.710 253 HB2 ARG 32 2HB ARG 32 -10.151 3.811 10.078 254 HB3 ARG 32 1HB ARG 32 -9.204 3.505 8.635 255 HG2 ARG 32 2HG ARG 32 -7.639 3.959 10.306 256 HG3 ARG 32 1HG ARG 32 -7.732 5.444 9.364 257 HD2 ARG 32 2HD ARG 32 -9.629 5.429 11.555 258 HD3 ARG 32 1HD ARG 32 -7.974 5.194 12.116 259 HE ARG 32 HE ARG 32 -7.788 7.292 10.396 260 HH11 ARG 32 1HH1 ARG 32 -9.656 6.623 13.280 261 HH12 ARG 32 2HH1 ARG 32 -9.879 8.303 13.679 262 HH21 ARG 32 1HH2 ARG 32 -8.038 9.504 10.938 263 HH22 ARG 32 2HH2 ARG 32 -8.947 9.935 12.359 264 H ASP 33 HN ASP 33 -12.882 4.970 8.371 265 HA ASP 33 HA ASP 33 -13.373 6.868 10.595 266 HB2 ASP 33 2HB ASP 33 -13.735 7.814 8.265 267 HB3 ASP 33 1HB ASP 33 -15.107 6.719 8.137 268 H GLY 34 HN GLY 34 -13.343 4.013 10.754 269 HA2 GLY 34 2HA GLY 34 -14.850 2.996 12.424 270 HA3 GLY 34 1HA GLY 34 -16.179 3.561 11.430 271 H ASP 35 HN ASP 35 -13.234 1.714 11.085 272 HA ASP 35 HA ASP 35 -12.729 -0.280 10.162 273 HB2 ASP 35 2HB ASP 35 -14.891 -1.077 11.197 274 HB3 ASP 35 1HB ASP 35 -15.661 -0.757 9.645 275 H ASP 36 HN ASP 36 -14.738 2.017 8.515 276 HA ASP 36 HA ASP 36 -14.058 1.107 5.894 277 HB2 ASP 36 2HB ASP 36 -14.696 3.932 6.678 278 HB3 ASP 36 1HB ASP 36 -14.757 3.258 5.072 279 H ARG 37 HN ARG 37 -12.392 1.552 4.751 280 HA ARG 37 HA ARG 37 -10.191 3.151 5.792 281 HB2 ARG 37 2HB ARG 37 -10.059 0.650 6.264 282 HB3 ARG 37 1HB ARG 37 -9.934 0.419 4.532 283 HG2 ARG 37 2HG ARG 37 -7.993 2.124 6.039 284 HG3 ARG 37 1HG ARG 37 -7.828 0.380 5.904 285 HD2 ARG 37 2HD ARG 37 -8.063 0.771 3.368 286 HD3 ARG 37 1HD ARG 37 -7.686 2.450 3.751 287 HE ARG 37 HE ARG 37 -5.879 0.309 4.638 288 HH11 ARG 37 1HH1 ARG 37 -6.459 3.227 2.797 289 HH12 ARG 37 2HH1 ARG 37 -4.812 3.388 2.280 290 HH21 ARG 37 1HH2 ARG 37 -3.701 0.506 3.966 291 HH22 ARG 37 2HH2 ARG 37 -3.235 1.825 2.941 292 H TRP 38 HN TRP 38 -9.850 4.702 4.275 293 HA TRP 38 HA TRP 38 -10.322 3.964 1.462 294 HB2 TRP 38 2HB TRP 38 -10.298 6.695 2.756 295 HB3 TRP 38 1HB TRP 38 -10.540 6.396 1.038 296 HD1 TRP 38 1HD TRP 38 -12.857 4.966 0.411 297 HE1 TRP 38 1HE TRP 38 -15.164 5.063 1.561 298 HE3 TRP 38 3HE TRP 38 -11.453 7.018 4.876 299 HZ2 TRP 38 2HZ TRP 38 -16.237 5.910 4.024 300 HZ3 TRP 38 3HZ TRP 38 -13.179 7.446 6.573 301 HH2 TRP 38 2HH TRP 38 -15.522 6.901 6.155 302 H VAL 39 HN VAL 39 -8.811 4.421 -0.118 303 HA VAL 39 HA VAL 39 -6.136 5.179 0.857 304 HB VAL 39 HB VAL 39 -6.782 3.935 -1.820 305 HG11 VAL 39 1HG1 VAL 39 -4.670 5.096 -1.761 306 HG12 VAL 39 2HG1 VAL 39 -4.382 3.356 -1.800 307 HG13 VAL 39 3HG1 VAL 39 -4.204 4.246 -0.288 308 HG21 VAL 39 3HG2 VAL 39 -5.887 2.527 0.694 309 HG22 VAL 39 1HG2 VAL 39 -6.057 1.794 -0.901 310 HG23 VAL 39 2HG2 VAL 39 -7.479 2.400 -0.053 311 H GLU 40 HN GLU 40 -6.438 7.398 0.858 312 HA GLU 40 HA GLU 40 -7.550 8.717 -1.454 313 HB2 GLU 40 2HB GLU 40 -6.428 9.766 1.141 314 HB3 GLU 40 1HB GLU 40 -7.086 10.795 -0.125 315 HG2 GLU 40 2HG GLU 40 -9.254 9.739 0.104 316 HG3 GLU 40 1HG GLU 40 -8.606 8.632 1.315 317 H ARG 41 HN ARG 41 -4.425 7.888 -0.274 318 HA ARG 41 HA ARG 41 -3.272 8.989 -2.692 319 HB2 ARG 41 2HB ARG 41 -2.745 10.102 -0.020 320 HB3 ARG 41 1HB ARG 41 -1.314 9.748 -0.975 321 HG2 ARG 41 2HG ARG 41 -3.598 11.415 -1.994 322 HG3 ARG 41 1HG ARG 41 -2.208 12.079 -1.146 323 HD2 ARG 41 2HD ARG 41 -1.698 12.349 -3.410 324 HD3 ARG 41 1HD ARG 41 -0.773 10.940 -2.908 325 HE ARG 41 HE ARG 41 -1.899 9.737 -4.480 326 HH11 ARG 41 1HH1 ARG 41 -3.903 12.480 -3.608 327 HH12 ARG 41 2HH1 ARG 41 -5.074 12.174 -4.844 328 HH21 ARG 41 1HH2 ARG 41 -3.416 9.364 -6.152 329 HH22 ARG 41 2HH2 ARG 41 -4.799 10.410 -6.289 330 H VAL 42 HN VAL 42 -1.430 8.020 -3.343 331 HA VAL 42 HA VAL 42 -0.389 5.825 -1.676 332 HB VAL 42 HB VAL 42 -0.388 6.009 -4.703 333 HG11 VAL 42 1HG1 VAL 42 0.520 3.780 -2.885 334 HG12 VAL 42 2HG1 VAL 42 1.567 4.830 -3.840 335 HG13 VAL 42 3HG1 VAL 42 0.462 3.712 -4.644 336 HG21 VAL 42 3HG2 VAL 42 -1.996 4.207 -2.897 337 HG22 VAL 42 1HG2 VAL 42 -1.967 4.152 -4.660 338 HG23 VAL 42 2HG2 VAL 42 -2.626 5.564 -3.832 339 H TYR 43 HN TYR 43 1.752 5.998 -1.163 340 HA TYR 43 HA TYR 43 3.251 8.047 -2.632 341 HB2 TYR 43 2HB TYR 43 3.132 7.587 0.329 342 HB3 TYR 43 1HB TYR 43 4.522 8.382 -0.413 343 HD1 TYR 43 2HD TYR 43 3.520 10.074 -2.419 344 HD2 TYR 43 1HD TYR 43 1.727 9.156 1.322 345 HE1 TYR 43 2HE TYR 43 2.272 12.182 -2.514 346 HE2 TYR 43 1HE TYR 43 0.457 11.265 1.230 347 HH TYR 43 HH TYR 43 0.896 13.630 -0.023 348 HA PRO 44 HA PRO 44 5.667 4.272 -3.341 349 HB2 PRO 44 2HB PRO 44 6.425 5.849 -5.711 350 HB3 PRO 44 1HB PRO 44 5.763 4.215 -5.616 351 HG2 PRO 44 2HG PRO 44 4.302 6.267 -6.534 352 HG3 PRO 44 1HG PRO 44 3.577 4.959 -5.578 353 HD2 PRO 44 2HD PRO 44 4.396 7.709 -4.713 354 HD3 PRO 44 1HD PRO 44 2.926 6.793 -4.310 355 H LEU 45 HN LEU 45 7.198 4.611 -1.764 356 HA LEU 45 HA LEU 45 9.014 6.868 -1.977 357 HB2 LEU 45 2HB LEU 45 8.828 4.683 0.098 358 HB3 LEU 45 1HB LEU 45 9.867 6.092 0.196 359 HG LEU 45 HG LEU 45 6.846 6.146 0.176 360 HD11 LEU 45 1HD1 LEU 45 8.821 6.595 2.410 361 HD12 LEU 45 2HD1 LEU 45 7.725 5.224 2.245 362 HD13 LEU 45 3HD1 LEU 45 7.080 6.842 2.515 363 HD21 LEU 45 3HD2 LEU 45 7.118 8.519 0.737 364 HD22 LEU 45 1HD2 LEU 45 7.796 8.140 -0.846 365 HD23 LEU 45 2HD2 LEU 45 8.863 8.360 0.540 366 H ASN 46 HN ASN 46 11.371 6.275 -1.337 367 HA ASN 46 HA ASN 46 12.329 4.571 -3.456 368 HB2 ASN 46 2HB ASN 46 13.387 6.738 -3.053 369 HB3 ASN 46 1HB ASN 46 13.824 6.241 -1.423 370 HD21 ASN 46 1HD2 ASN 46 15.997 6.593 -1.836 371 HD22 ASN 46 2HD2 ASN 46 16.931 5.503 -2.811 372 H ASN 47 HN ASN 47 13.487 2.719 -3.257 373 HA ASN 47 HA ASN 47 13.612 1.505 -0.577 374 HB2 ASN 47 2HB ASN 47 11.846 0.472 -1.986 375 HB3 ASN 47 1HB ASN 47 13.062 0.084 -3.196 376 HD21 ASN 47 1HD2 ASN 47 14.353 -1.687 -2.912 377 HD22 ASN 47 2HD2 ASN 47 14.144 -2.809 -1.617 378 H LEU 48 HN LEU 48 15.556 0.787 0.026 379 HA LEU 48 HA LEU 48 17.779 1.590 -1.593 380 HB2 LEU 48 2HB LEU 48 17.804 0.120 1.040 381 HB3 LEU 48 1HB LEU 48 19.123 1.003 0.323 382 HG LEU 48 HG LEU 48 16.591 2.196 1.323 383 HD11 LEU 48 1HD1 LEU 48 19.379 2.272 2.430 384 HD12 LEU 48 2HD1 LEU 48 17.996 1.436 3.133 385 HD13 LEU 48 3HD1 LEU 48 18.013 3.196 3.050 386 HD21 LEU 48 3HD2 LEU 48 17.629 4.355 0.907 387 HD22 LEU 48 1HD2 LEU 48 17.485 3.428 -0.587 388 HD23 LEU 48 2HD2 LEU 48 19.043 3.545 0.230 389 H ASP 49 HN ASP 49 16.262 -1.452 -0.798 390 HA ASP 49 HA ASP 49 18.462 -3.093 -1.618 391 HB2 ASP 49 2HB ASP 49 15.902 -3.512 -0.405 392 HB3 ASP 49 1HB ASP 49 16.036 -4.557 -1.812 393 H GLN 50 HN GLN 50 18.963 -3.802 -3.601 394 HA GLN 50 HA GLN 50 17.107 -3.238 -5.813 395 HB2 GLN 50 2HB GLN 50 20.016 -4.095 -5.878 396 HB3 GLN 50 1HB GLN 50 19.039 -3.682 -7.279 397 HG2 GLN 50 2HG GLN 50 18.816 -1.390 -6.436 398 HG3 GLN 50 1HG GLN 50 19.825 -1.813 -5.052 399 HE21 GLN 50 1HE2 GLN 50 20.260 0.186 -7.118 400 HE22 GLN 50 2HE2 GLN 50 21.771 -0.202 -7.861 401 H SER 51 HN SER 51 16.311 -5.190 -4.118 402 HA SER 51 HA SER 51 17.035 -7.729 -5.411 403 HB2 SER 51 2HB SER 51 16.065 -7.288 -2.578 404 HB3 SER 51 1HB SER 51 16.604 -8.811 -3.277 405 HG SER 51 HG SER 51 18.058 -6.791 -2.191 406 HA PRO 52 HA PRO 52 12.769 -8.036 -6.549 407 HB2 PRO 52 2HB PRO 52 12.599 -10.697 -6.998 408 HB3 PRO 52 1HB PRO 52 13.462 -9.601 -8.081 409 HG2 PRO 52 2HG PRO 52 14.548 -11.398 -5.951 410 HG3 PRO 52 1HG PRO 52 15.163 -11.104 -7.588 411 HD2 PRO 52 2HD PRO 52 16.213 -9.917 -5.378 412 HD3 PRO 52 1HD PRO 52 16.208 -9.147 -6.979 413 H GLU 53 HN GLU 53 14.012 -10.119 -3.965 414 HA GLU 53 HA GLU 53 11.246 -10.424 -2.991 415 HB2 GLU 53 2HB GLU 53 13.594 -12.231 -2.400 416 HB3 GLU 53 1HB GLU 53 11.921 -12.495 -1.936 417 HG2 GLU 53 2HG GLU 53 13.004 -12.477 -4.745 418 HG3 GLU 53 1HG GLU 53 12.546 -13.899 -3.814 419 H HIS 54 HN HIS 54 13.951 -8.673 -2.417 420 HA HIS 54 HA HIS 54 13.537 -8.684 0.510 421 HB2 HIS 54 2HB HIS 54 16.071 -8.068 -1.021 422 HB3 HIS 54 1HB HIS 54 15.871 -7.818 0.705 423 HD1 HIS 54 1HD HIS 54 18.097 -9.506 0.368 424 HD2 HIS 54 2HD HIS 54 14.281 -11.120 0.023 425 HE1 HIS 54 1HE HIS 54 18.370 -11.982 0.733 426 HE2 HIS 54 2HE HIS 54 16.069 -12.954 0.372 427 H PHE 55 HN PHE 55 13.358 -6.699 1.541 428 HA PHE 55 HA PHE 55 13.427 -4.325 -0.187 429 HB2 PHE 55 2HB PHE 55 11.290 -3.640 0.291 430 HB3 PHE 55 1HB PHE 55 11.050 -5.379 0.356 431 HD1 PHE 55 1HD PHE 55 11.036 -6.509 2.624 432 HD2 PHE 55 2HD PHE 55 10.852 -2.280 2.134 433 HE1 PHE 55 1HE PHE 55 10.142 -6.280 4.904 434 HE2 PHE 55 2HE PHE 55 9.967 -2.048 4.417 435 HZ PHE 55 HZ PHE 55 9.610 -4.051 5.803 436 H SER 56 HN SER 56 13.900 -2.395 0.830 437 HA SER 56 HA SER 56 14.217 -2.218 3.690 438 HB2 SER 56 2HB SER 56 16.631 -1.760 1.934 439 HB3 SER 56 1HB SER 56 16.558 -1.562 3.677 440 HG SER 56 HG SER 56 16.919 -3.835 2.180 441 H MET 57 HN MET 57 13.440 -0.282 4.171 442 HA MET 57 HA MET 57 13.423 1.746 2.045 443 HB2 MET 57 2HB MET 57 11.267 2.522 2.949 444 HB3 MET 57 1HB MET 57 11.195 0.853 2.407 445 HG2 MET 57 2HG MET 57 11.546 0.184 4.812 446 HG3 MET 57 1HG MET 57 11.287 1.877 5.228 447 HE1 MET 57 3HE MET 57 9.007 3.195 4.518 448 HE2 MET 57 1HE MET 57 7.591 2.381 3.850 449 HE3 MET 57 2HE MET 57 9.051 2.553 2.875 450 H ASP 58 HN ASP 58 13.700 3.908 2.608 451 HA ASP 58 HA ASP 58 15.389 4.230 4.947 452 HB2 ASP 58 2HB ASP 58 16.202 5.102 2.837 453 HB3 ASP 58 1HB ASP 58 14.744 6.060 2.622 454 HA PRO 59 HA PRO 59 12.288 6.109 7.483 455 HB2 PRO 59 2HB PRO 59 13.888 7.564 9.141 456 HB3 PRO 59 1HB PRO 59 13.688 5.813 9.265 457 HG2 PRO 59 2HG PRO 59 15.886 7.379 7.975 458 HG3 PRO 59 1HG PRO 59 15.993 5.937 9.002 459 HD2 PRO 59 2HD PRO 59 16.195 5.802 6.319 460 HD3 PRO 59 1HD PRO 59 15.438 4.511 7.273 461 H ARG 60 HN ARG 60 14.645 8.132 5.815 462 HA ARG 60 HA ARG 60 13.273 10.575 6.444 463 HB2 ARG 60 2HB ARG 60 15.447 9.920 4.456 464 HB3 ARG 60 1HB ARG 60 14.755 11.530 4.615 465 HG2 ARG 60 2HG ARG 60 16.135 9.991 6.805 466 HG3 ARG 60 1HG ARG 60 16.833 11.318 5.870 467 HD2 ARG 60 2HD ARG 60 15.196 12.854 6.729 468 HD3 ARG 60 1HD ARG 60 14.336 11.546 7.539 469 HE ARG 60 HE ARG 60 16.675 11.345 8.739 470 HH11 ARG 60 1HH1 ARG 60 14.874 14.223 7.878 471 HH12 ARG 60 2HH1 ARG 60 15.436 15.142 9.245 472 HH21 ARG 60 1HH2 ARG 60 17.450 12.560 10.529 473 HH22 ARG 60 2HH2 ARG 60 16.920 14.207 10.733 474 H GLU 61 HN GLU 61 13.257 8.256 3.801 475 HA GLU 61 HA GLU 61 11.439 9.623 2.131 476 HB2 GLU 61 2HB GLU 61 11.718 6.644 2.591 477 HB3 GLU 61 1HB GLU 61 10.844 7.385 1.257 478 HG2 GLU 61 2HG GLU 61 13.802 7.529 1.786 479 HG3 GLU 61 1HG GLU 61 12.994 6.638 0.497 480 H GLN 62 HN GLN 62 10.943 7.348 4.804 481 HA GLN 62 HA GLN 62 8.151 7.316 4.850 482 HB2 GLN 62 2HB GLN 62 10.115 7.105 7.136 483 HB3 GLN 62 1HB GLN 62 8.397 6.774 7.285 484 HG2 GLN 62 2HG GLN 62 8.597 4.940 5.705 485 HG3 GLN 62 1HG GLN 62 10.316 5.287 5.510 486 HE21 GLN 62 1HE2 GLN 62 10.897 3.234 6.250 487 HE22 GLN 62 2HE2 GLN 62 10.776 2.786 7.913 488 H LEU 63 HN LEU 63 10.423 9.432 6.564 489 HA LEU 63 HA LEU 63 8.587 10.886 8.056 490 HB2 LEU 63 2HB LEU 63 11.054 10.922 8.345 491 HB3 LEU 63 1HB LEU 63 11.183 11.896 6.894 492 HG LEU 63 HG LEU 63 9.863 13.677 8.001 493 HD11 LEU 63 1HD1 LEU 63 9.485 13.565 10.405 494 HD12 LEU 63 2HD1 LEU 63 10.117 11.919 10.435 495 HD13 LEU 63 3HD1 LEU 63 8.624 12.273 9.565 496 HD21 LEU 63 3HD2 LEU 63 12.300 13.754 8.027 497 HD22 LEU 63 1HD2 LEU 63 12.325 12.786 9.501 498 HD23 LEU 63 2HD2 LEU 63 11.634 14.410 9.524 499 H THR 64 HN THR 64 9.754 11.420 4.770 500 HA THR 64 HA THR 64 8.536 13.913 4.334 501 HB THR 64 HB THR 64 9.084 11.754 2.282 502 HG1 THR 64 1HG THR 64 10.972 12.298 3.472 503 HG21 THR 64 3HG2 THR 64 7.667 13.559 1.434 504 HG22 THR 64 1HG2 THR 64 9.271 13.625 0.707 505 HG23 THR 64 2HG2 THR 64 8.839 14.752 1.994 506 H ALA 65 HN ALA 65 7.401 10.603 3.735 507 HA ALA 65 HA ALA 65 4.924 11.370 2.576 508 HB1 ALA 65 1HB ALA 65 5.718 8.760 3.863 509 HB2 ALA 65 2HB ALA 65 5.899 9.177 2.159 510 HB3 ALA 65 3HB ALA 65 4.290 9.021 2.864 511 H VAL 66 HN VAL 66 5.850 10.355 5.849 512 HA VAL 66 HA VAL 66 3.257 10.400 6.956 513 HB VAL 66 HB VAL 66 5.928 10.793 8.322 514 HG11 VAL 66 1HG1 VAL 66 4.762 10.142 10.383 515 HG12 VAL 66 2HG1 VAL 66 3.231 10.154 9.510 516 HG13 VAL 66 3HG1 VAL 66 4.139 11.652 9.719 517 HG21 VAL 66 3HG2 VAL 66 5.699 8.655 7.142 518 HG22 VAL 66 1HG2 VAL 66 4.209 8.330 8.028 519 HG23 VAL 66 2HG2 VAL 66 5.743 8.433 8.892 520 H LYS 67 HN LYS 67 5.734 12.896 6.639 521 HA LYS 67 HA LYS 67 4.534 14.886 8.206 522 HB2 LYS 67 2HB LYS 67 6.855 14.976 7.316 523 HB3 LYS 67 1HB LYS 67 6.203 15.231 5.706 524 HG2 LYS 67 2HG LYS 67 5.224 17.340 6.412 525 HG3 LYS 67 1HG LYS 67 5.832 17.085 8.048 526 HD2 LYS 67 2HD LYS 67 7.543 17.312 5.575 527 HD3 LYS 67 1HD LYS 67 7.264 18.607 6.739 528 HE2 LYS 67 2HE LYS 67 8.532 15.942 7.366 529 HE3 LYS 67 1HE LYS 67 9.410 17.447 7.100 530 HZ1 LYS 67 3HZ LYS 67 8.229 18.401 9.005 531 HZ2 LYS 67 1HZ LYS 67 9.151 17.047 9.443 532 HZ3 LYS 67 2HZ LYS 67 7.468 16.909 9.288 533 H ASP 68 HN ASP 68 4.253 14.186 4.749 534 HA ASP 68 HA ASP 68 2.453 16.303 4.152 535 HB2 ASP 68 2HB ASP 68 3.900 15.035 2.515 536 HB3 ASP 68 1HB ASP 68 2.779 13.692 2.661 537 H MET 69 HN MET 69 2.098 12.948 5.047 538 HA MET 69 HA MET 69 -0.633 12.587 4.560 539 HB2 MET 69 2HB MET 69 1.244 10.916 5.236 540 HB3 MET 69 1HB MET 69 0.783 11.314 6.882 541 HG2 MET 69 2HG MET 69 -0.382 9.362 6.349 542 HG3 MET 69 1HG MET 69 -1.566 10.665 6.242 543 HE1 MET 69 3HE MET 69 0.750 8.220 4.246 544 HE2 MET 69 1HE MET 69 1.285 9.802 3.685 545 HE3 MET 69 2HE MET 69 0.446 8.712 2.581 546 H ARG 70 HN ARG 70 1.044 13.505 7.559 547 HA ARG 70 HA ARG 70 -1.407 13.736 9.031 548 HB2 ARG 70 2HB ARG 70 1.429 14.526 9.714 549 HB3 ARG 70 1HB ARG 70 0.079 14.653 10.835 550 HG2 ARG 70 2HG ARG 70 -0.285 12.234 10.656 551 HG3 ARG 70 1HG ARG 70 1.087 12.119 9.556 552 HD2 ARG 70 2HD ARG 70 2.587 12.882 11.307 553 HD3 ARG 70 1HD ARG 70 1.225 13.102 12.409 554 HE ARG 70 HE ARG 70 1.201 10.450 11.508 555 HH11 ARG 70 1HH1 ARG 70 3.215 12.535 13.497 556 HH12 ARG 70 2HH1 ARG 70 3.787 11.228 14.490 557 HH21 ARG 70 1HH2 ARG 70 1.928 8.756 12.813 558 HH22 ARG 70 2HH2 ARG 70 3.022 9.077 14.126 559 H LYS 71 HN LYS 71 0.541 15.852 7.156 560 HA LYS 71 HA LYS 71 -0.256 18.352 8.153 561 HB2 LYS 71 2HB LYS 71 1.606 17.978 6.581 562 HB3 LYS 71 1HB LYS 71 0.456 17.546 5.330 563 HG2 LYS 71 2HG LYS 71 -0.515 19.864 5.605 564 HG3 LYS 71 1HG LYS 71 0.909 20.237 6.580 565 HD2 LYS 71 2HD LYS 71 1.256 20.912 4.263 566 HD3 LYS 71 1HD LYS 71 2.352 19.597 4.698 567 HE2 LYS 71 2HE LYS 71 0.749 18.000 3.671 568 HE3 LYS 71 1HE LYS 71 -0.215 19.375 3.132 569 HZ1 LYS 71 3HZ LYS 71 2.582 18.769 2.343 570 HZ2 LYS 71 1HZ LYS 71 1.715 20.145 1.859 571 HZ3 LYS 71 2HZ LYS 71 1.208 18.605 1.375 572 H ASN 72 HN ASN 72 -1.716 16.195 5.755 573 HA ASN 72 HA ASN 72 -3.833 18.114 5.204 574 HB2 ASN 72 2HB ASN 72 -2.816 16.701 3.398 575 HB3 ASN 72 1HB ASN 72 -3.548 15.291 4.156 576 HD21 ASN 72 1HD2 ASN 72 -5.766 14.976 3.994 577 HD22 ASN 72 2HD2 ASN 72 -6.760 15.894 2.918 578 H GLY 73 HN GLY 73 -3.279 15.433 7.275 579 HA2 GLY 73 2HA GLY 73 -4.809 15.175 9.150 580 HA3 GLY 73 1HA GLY 73 -6.131 15.497 8.037 581 H TRP 74 HN TRP 74 -3.825 13.562 6.584 582 HA TRP 74 HA TRP 74 -5.500 11.210 6.802 583 HB2 TRP 74 2HB TRP 74 -2.912 11.692 5.315 584 HB3 TRP 74 1HB TRP 74 -3.827 10.195 5.254 585 HD1 TRP 74 1HD TRP 74 -6.717 11.220 4.739 586 HE1 TRP 74 1HE TRP 74 -7.325 12.349 2.503 587 HE3 TRP 74 3HE TRP 74 -2.042 12.686 3.288 588 HZ2 TRP 74 2HZ TRP 74 -5.982 13.681 0.399 589 HZ3 TRP 74 3HZ TRP 74 -1.787 13.877 1.150 590 HH2 TRP 74 2HH TRP 74 -3.717 14.363 -0.262 591 H VAL 75 HN VAL 75 -4.469 9.094 7.266 592 HA VAL 75 HA VAL 75 -2.213 9.306 9.145 593 HB VAL 75 HB VAL 75 -3.216 7.400 10.441 594 HG11 VAL 75 1HG1 VAL 75 -3.328 9.675 11.285 595 HG12 VAL 75 2HG1 VAL 75 -4.814 8.812 11.682 596 HG13 VAL 75 3HG1 VAL 75 -4.797 9.970 10.353 597 HG21 VAL 75 3HG2 VAL 75 -4.758 6.604 8.713 598 HG22 VAL 75 1HG2 VAL 75 -5.693 8.090 8.855 599 HG23 VAL 75 2HG2 VAL 75 -5.615 6.965 10.212 600 H MET 76 HN MET 76 -0.829 7.455 9.206 601 HA MET 76 HA MET 76 -0.545 6.184 6.666 602 HB2 MET 76 2HB MET 76 1.402 6.765 8.075 603 HB3 MET 76 1HB MET 76 0.877 5.592 9.271 604 HG2 MET 76 2HG MET 76 1.233 3.782 7.718 605 HG3 MET 76 1HG MET 76 1.636 4.921 6.437 606 HE1 MET 76 3HE MET 76 2.732 5.098 10.243 607 HE2 MET 76 1HE MET 76 4.259 4.220 10.176 608 HE3 MET 76 2HE MET 76 2.742 3.375 9.868 609 H LEU 77 HN LEU 77 -1.916 4.677 6.044 610 HA LEU 77 HA LEU 77 -3.213 3.013 8.063 611 HB2 LEU 77 2HB LEU 77 -3.835 3.525 5.162 612 HB3 LEU 77 1HB LEU 77 -4.731 2.403 6.167 613 HG LEU 77 HG LEU 77 -4.509 5.374 6.662 614 HD11 LEU 77 1HD1 LEU 77 -6.789 3.716 5.590 615 HD12 LEU 77 2HD1 LEU 77 -5.835 4.885 4.676 616 HD13 LEU 77 3HD1 LEU 77 -6.865 5.430 5.999 617 HD21 LEU 77 3HD2 LEU 77 -6.236 4.991 8.332 618 HD22 LEU 77 1HD2 LEU 77 -4.783 4.066 8.708 619 HD23 LEU 77 2HD2 LEU 77 -6.186 3.259 8.002 620 H GLY 78 HN GLY 78 -0.553 2.759 6.166 621 HA2 GLY 78 2HA GLY 78 0.331 0.366 6.702 622 HA3 GLY 78 1HA GLY 78 -0.955 -0.085 5.591 623 H ASN 79 HN ASN 79 0.653 -1.019 4.244 624 HA ASN 79 HA ASN 79 1.892 0.917 2.453 625 HB2 ASN 79 2HB ASN 79 4.075 -0.155 2.541 626 HB3 ASN 79 1HB ASN 79 3.628 0.417 4.140 627 HD21 ASN 79 1HD2 ASN 79 5.534 -1.634 3.363 628 HD22 ASN 79 2HD2 ASN 79 5.039 -3.080 4.166 629 H PHE 80 HN PHE 80 3.109 -0.477 0.678 630 HA PHE 80 HA PHE 80 1.480 -2.833 0.066 631 HB2 PHE 80 2HB PHE 80 1.337 -2.168 -2.299 632 HB3 PHE 80 1HB PHE 80 0.545 -1.003 -1.249 633 HD1 PHE 80 1HD PHE 80 1.586 1.195 -0.835 634 HD2 PHE 80 2HD PHE 80 3.206 -1.567 -3.641 635 HE1 PHE 80 1HE PHE 80 2.891 3.007 -1.861 636 HE2 PHE 80 2HE PHE 80 4.513 0.245 -4.673 637 HZ PHE 80 HZ PHE 80 4.357 2.534 -3.780 638 H HIS 81 HN HIS 81 2.501 -4.472 -0.972 639 HA HIS 81 HA HIS 81 5.312 -4.150 -1.704 640 HB2 HIS 81 2HB HIS 81 5.419 -4.793 0.625 641 HB3 HIS 81 1HB HIS 81 4.274 -6.092 0.360 642 HD1 HIS 81 1HD HIS 81 7.790 -5.169 -0.831 643 HD2 HIS 81 2HD HIS 81 5.453 -8.478 0.110 644 HE1 HIS 81 1HE HIS 81 9.329 -7.151 -0.981 645 HE2 HIS 81 2HE HIS 81 7.954 -9.079 -0.098 646 H SER 82 HN SER 82 5.772 -5.256 -3.461 647 HA SER 82 HA SER 82 3.709 -7.090 -4.487 648 HB2 SER 82 2HB SER 82 3.840 -4.967 -5.736 649 HB3 SER 82 1HB SER 82 5.555 -5.247 -6.035 650 HG SER 82 HG SER 82 5.069 -6.626 -7.561 651 H HIS 83 HN HIS 83 4.425 -8.871 -5.771 652 HA HIS 83 HA HIS 83 7.289 -9.504 -5.453 653 HB2 HIS 83 2HB HIS 83 4.891 -11.316 -5.755 654 HB3 HIS 83 1HB HIS 83 6.543 -11.887 -5.934 655 HD1 HIS 83 1HD HIS 83 4.134 -12.330 -3.642 656 HD2 HIS 83 2HD HIS 83 7.929 -10.663 -3.286 657 HE1 HIS 83 1HE HIS 83 4.732 -12.523 -1.206 658 HE2 HIS 83 2HE HIS 83 7.113 -11.719 -1.059 659 HA PRO 84 HA PRO 84 7.321 -9.126 -9.886 660 HB2 PRO 84 2HB PRO 84 9.990 -10.084 -10.068 661 HB3 PRO 84 1HB PRO 84 9.457 -8.406 -9.963 662 HG2 PRO 84 2HG PRO 84 10.910 -9.770 -8.017 663 HG3 PRO 84 1HG PRO 84 10.014 -8.262 -7.768 664 HD2 PRO 84 2HD PRO 84 9.228 -11.071 -7.119 665 HD3 PRO 84 1HD PRO 84 8.888 -9.568 -6.232 666 H ALA 85 HN ALA 85 9.124 -12.013 -8.795 667 HA ALA 85 HA ALA 85 7.919 -13.499 -11.035 668 HB1 ALA 85 1HB ALA 85 10.548 -13.989 -9.633 669 HB2 ALA 85 2HB ALA 85 10.342 -13.259 -11.226 670 HB3 ALA 85 3HB ALA 85 9.893 -14.944 -10.965 671 H THR 86 HN THR 86 6.942 -12.996 -8.271 672 HA THR 86 HA THR 86 6.518 -15.793 -7.516 673 HB THR 86 HB THR 86 6.500 -14.684 -5.067 674 HG1 THR 86 1HG THR 86 8.667 -13.392 -5.259 675 HG21 THR 86 3HG2 THR 86 8.769 -15.568 -4.756 676 HG22 THR 86 1HG2 THR 86 8.965 -15.664 -6.508 677 HG23 THR 86 2HG2 THR 86 7.762 -16.667 -5.698 678 HA PRO 87 HA PRO 87 2.311 -14.620 -7.376 679 HB2 PRO 87 2HB PRO 87 1.247 -16.320 -5.585 680 HB3 PRO 87 1HB PRO 87 1.905 -16.873 -7.130 681 HG2 PRO 87 2HG PRO 87 3.153 -16.925 -4.411 682 HG3 PRO 87 1HG PRO 87 3.157 -18.176 -5.665 683 HD2 PRO 87 2HD PRO 87 5.249 -16.479 -5.221 684 HD3 PRO 87 1HD PRO 87 4.899 -17.210 -6.798 685 H ALA 88 HN ALA 88 0.388 -14.350 -5.695 686 HA ALA 88 HA ALA 88 1.120 -12.109 -4.065 687 HB1 ALA 88 1HB ALA 88 -0.964 -12.129 -5.359 688 HB2 ALA 88 2HB ALA 88 -1.265 -11.888 -3.638 689 HB3 ALA 88 3HB ALA 88 -1.555 -13.465 -4.373 690 H ARG 89 HN ARG 89 -0.301 -12.105 -1.874 691 HA ARG 89 HA ARG 89 -0.374 -12.722 0.307 692 HB2 ARG 89 2HB ARG 89 -1.283 -14.897 -0.570 693 HB3 ARG 89 1HB ARG 89 0.362 -15.515 -0.601 694 HG2 ARG 89 2HG ARG 89 0.480 -15.062 1.861 695 HG3 ARG 89 1HG ARG 89 -1.246 -14.698 1.805 696 HD2 ARG 89 2HD ARG 89 0.084 -17.307 1.090 697 HD3 ARG 89 1HD ARG 89 -0.913 -16.984 2.507 698 HE ARG 89 HE ARG 89 -2.128 -16.646 -0.135 699 HH11 ARG 89 1HH1 ARG 89 -1.837 -18.529 2.808 700 HH12 ARG 89 2HH1 ARG 89 -3.246 -19.485 2.479 701 HH21 ARG 89 1HH2 ARG 89 -3.962 -17.912 -0.570 702 HH22 ARG 89 2HH2 ARG 89 -4.457 -19.139 0.567 703 HA PRO 90 HA PRO 90 3.926 -12.327 1.405 704 HB2 PRO 90 2HB PRO 90 3.684 -12.477 4.106 705 HB3 PRO 90 1HB PRO 90 3.231 -11.038 3.183 706 HG2 PRO 90 2HG PRO 90 1.497 -13.230 4.246 707 HG3 PRO 90 1HG PRO 90 1.223 -11.479 4.271 708 HD2 PRO 90 2HD PRO 90 0.045 -13.111 2.462 709 HD3 PRO 90 1HD PRO 90 0.500 -11.437 2.081 710 H SER 91 HN SER 91 5.582 -13.750 1.623 711 HA SER 91 HA SER 91 5.030 -16.519 2.199 712 HB2 SER 91 2HB SER 91 7.457 -16.829 1.807 713 HB3 SER 91 1HB SER 91 6.699 -15.927 0.497 714 HG SER 91 HG SER 91 7.587 -14.039 1.279 715 H ALA 92 HN ALA 92 7.095 -17.425 3.694 716 HA ALA 92 HA ALA 92 6.327 -16.901 6.322 717 HB1 ALA 92 1HB ALA 92 7.488 -18.946 5.641 718 HB2 ALA 92 2HB ALA 92 8.309 -18.156 6.986 719 HB3 ALA 92 3HB ALA 92 8.958 -18.016 5.352 720 H GLU 93 HN GLU 93 9.106 -15.680 4.480 721 HA GLU 93 HA GLU 93 10.050 -14.054 6.622 722 HB2 GLU 93 2HB GLU 93 10.700 -14.099 3.680 723 HB3 GLU 93 1HB GLU 93 11.509 -13.048 4.839 724 HG2 GLU 93 2HG GLU 93 12.388 -14.912 6.032 725 HG3 GLU 93 1HG GLU 93 11.405 -16.040 5.100 726 H ASP 94 HN ASP 94 8.036 -13.414 3.754 727 HA ASP 94 HA ASP 94 7.905 -10.622 3.999 728 HB2 ASP 94 2HB ASP 94 5.846 -12.578 2.966 729 HB3 ASP 94 1HB ASP 94 5.603 -10.842 2.926 730 H LYS 95 HN LYS 95 6.103 -13.177 5.629 731 HA LYS 95 HA LYS 95 4.218 -11.445 6.867 732 HB2 LYS 95 2HB LYS 95 3.955 -13.938 6.474 733 HB3 LYS 95 1HB LYS 95 5.031 -14.187 7.842 734 HG2 LYS 95 2HG LYS 95 3.484 -13.275 9.359 735 HG3 LYS 95 1HG LYS 95 2.512 -12.572 8.066 736 HD2 LYS 95 2HD LYS 95 1.329 -14.471 8.829 737 HD3 LYS 95 1HD LYS 95 2.053 -14.927 7.289 738 HE2 LYS 95 2HE LYS 95 2.365 -16.752 8.772 739 HE3 LYS 95 1HE LYS 95 3.932 -15.962 8.598 740 HZ1 LYS 95 3HZ LYS 95 3.609 -14.871 10.707 741 HZ2 LYS 95 1HZ LYS 95 3.411 -16.546 10.908 742 HZ3 LYS 95 2HZ LYS 95 2.055 -15.529 10.862 743 H ARG 96 HN ARG 96 7.407 -12.582 7.729 744 HA ARG 96 HA ARG 96 7.303 -11.632 10.433 745 HB2 ARG 96 2HB ARG 96 9.616 -12.426 8.664 746 HB3 ARG 96 1HB ARG 96 9.813 -11.902 10.330 747 HG2 ARG 96 2HG ARG 96 8.354 -13.774 11.042 748 HG3 ARG 96 1HG ARG 96 8.310 -14.323 9.363 749 HD2 ARG 96 2HD ARG 96 9.983 -15.553 10.644 750 HD3 ARG 96 1HD ARG 96 10.738 -14.582 9.380 751 HE ARG 96 HE ARG 96 10.643 -13.176 11.860 752 HH11 ARG 96 1HH1 ARG 96 12.383 -15.693 10.138 753 HH12 ARG 96 2HH1 ARG 96 13.871 -15.427 11.004 754 HH21 ARG 96 1HH2 ARG 96 12.602 -12.846 13.008 755 HH22 ARG 96 2HH2 ARG 96 13.982 -13.832 12.639 756 H LEU 97 HN LEU 97 7.762 -10.178 7.391 757 HA LEU 97 HA LEU 97 9.252 -7.900 8.338 758 HB2 LEU 97 2HB LEU 97 7.808 -8.389 5.728 759 HB3 LEU 97 1HB LEU 97 8.876 -7.042 6.057 760 HG LEU 97 HG LEU 97 9.735 -9.936 6.077 761 HD11 LEU 97 1HD1 LEU 97 10.123 -7.827 3.958 762 HD12 LEU 97 2HD1 LEU 97 9.086 -9.248 3.834 763 HD13 LEU 97 3HD1 LEU 97 10.836 -9.441 3.954 764 HD21 LEU 97 3HD2 LEU 97 11.091 -8.516 7.509 765 HD22 LEU 97 1HD2 LEU 97 11.312 -7.369 6.187 766 HD23 LEU 97 2HD2 LEU 97 11.996 -8.989 6.070 767 H ALA 98 HN ALA 98 6.068 -8.890 8.504 768 HA ALA 98 HA ALA 98 4.929 -6.215 8.480 769 HB1 ALA 98 1HB ALA 98 3.615 -8.042 7.528 770 HB2 ALA 98 2HB ALA 98 2.800 -7.347 8.929 771 HB3 ALA 98 3HB ALA 98 3.649 -8.885 9.076 772 H PHE 99 HN PHE 99 5.817 -5.161 10.186 773 HA PHE 99 HA PHE 99 6.054 -6.452 12.758 774 HB2 PHE 99 2HB PHE 99 6.711 -3.613 11.962 775 HB3 PHE 99 1HB PHE 99 7.171 -4.403 13.466 776 HD1 PHE 99 1HD PHE 99 8.487 -6.680 13.129 777 HD2 PHE 99 2HD PHE 99 8.258 -3.536 10.269 778 HE1 PHE 99 1HE PHE 99 10.565 -7.485 12.079 779 HE2 PHE 99 2HE PHE 99 10.327 -4.338 9.215 780 HZ PHE 99 HZ PHE 99 11.484 -6.314 10.117 781 H ASP 100 HN ASP 100 3.823 -4.306 11.215 782 HA ASP 100 HA ASP 100 2.515 -3.850 13.816 783 HB2 ASP 100 2HB ASP 100 3.544 -1.792 12.752 784 HB3 ASP 100 1HB ASP 100 2.329 -1.945 11.486 785 HA PRO 101 HA PRO 101 -0.335 -6.504 11.410 786 HB2 PRO 101 2HB PRO 101 -1.761 -7.248 13.634 787 HB3 PRO 101 1HB PRO 101 -0.285 -8.046 13.084 788 HG2 PRO 101 2HG PRO 101 -0.634 -5.964 15.202 789 HG3 PRO 101 1HG PRO 101 0.352 -7.439 15.234 790 HD2 PRO 101 2HD PRO 101 1.453 -5.044 14.783 791 HD3 PRO 101 1HD PRO 101 2.025 -6.492 13.930 792 H SER 102 HN SER 102 -0.843 -3.575 12.979 793 HA SER 102 HA SER 102 -3.744 -3.658 12.779 794 HB2 SER 102 2HB SER 102 -3.174 -1.124 13.581 795 HB3 SER 102 1HB SER 102 -3.360 -2.489 14.683 796 HG SER 102 HG SER 102 -0.942 -1.398 13.634 797 H LEU 103 HN LEU 103 -1.267 -3.081 10.719 798 HA LEU 103 HA LEU 103 -2.536 -0.860 9.298 799 HB2 LEU 103 2HB LEU 103 0.112 -2.253 8.932 800 HB3 LEU 103 1HB LEU 103 -0.467 -0.975 7.881 801 HG LEU 103 HG LEU 103 0.160 -0.710 10.823 802 HD11 LEU 103 1HD1 LEU 103 1.990 0.713 10.060 803 HD12 LEU 103 2HD1 LEU 103 1.562 0.377 8.384 804 HD13 LEU 103 3HD1 LEU 103 2.145 -0.923 9.423 805 HD21 LEU 103 3HD2 LEU 103 -0.743 1.369 8.833 806 HD22 LEU 103 1HD2 LEU 103 -0.235 1.677 10.493 807 HD23 LEU 103 2HD2 LEU 103 -1.694 0.737 10.176 808 H SER 104 HN SER 104 -2.645 -1.029 6.895 809 HA SER 104 HA SER 104 -3.671 -3.648 6.087 810 HB2 SER 104 2HB SER 104 -3.685 -1.105 4.451 811 HB3 SER 104 1HB SER 104 -4.712 -2.525 4.259 812 HG SER 104 HG SER 104 -4.962 -1.527 6.740 813 H TYR 105 HN TYR 105 -2.269 -5.018 5.166 814 HA TYR 105 HA TYR 105 0.031 -3.919 3.709 815 HB2 TYR 105 2HB TYR 105 -0.471 -6.679 4.843 816 HB3 TYR 105 1HB TYR 105 0.945 -6.245 3.892 817 HD1 TYR 105 2HD TYR 105 -0.876 -5.404 7.025 818 HD2 TYR 105 1HD TYR 105 2.826 -5.307 4.929 819 HE1 TYR 105 2HE TYR 105 0.252 -4.642 9.069 820 HE2 TYR 105 1HE TYR 105 3.967 -4.538 6.972 821 HH TYR 105 HH TYR 105 2.235 -4.311 10.051 822 H LEU 106 HN LEU 106 -0.594 -3.556 1.670 823 HA LEU 106 HA LEU 106 -2.298 -5.473 0.309 824 HB2 LEU 106 2HB LEU 106 -1.203 -2.776 -0.420 825 HB3 LEU 106 1HB LEU 106 -1.889 -3.820 -1.649 826 HG LEU 106 HG LEU 106 -4.018 -3.862 -0.335 827 HD11 LEU 106 1HD1 LEU 106 -3.112 -3.290 1.853 828 HD12 LEU 106 2HD1 LEU 106 -4.376 -2.160 1.367 829 HD13 LEU 106 3HD1 LEU 106 -2.680 -1.685 1.261 830 HD21 LEU 106 3HD2 LEU 106 -4.717 -1.612 -0.999 831 HD22 LEU 106 1HD2 LEU 106 -3.756 -2.400 -2.250 832 HD23 LEU 106 2HD2 LEU 106 -3.027 -1.160 -1.227 833 H ILE 107 HN ILE 107 -1.602 -7.038 -0.949 834 HA ILE 107 HA ILE 107 1.259 -7.068 -1.652 835 HB ILE 107 HB ILE 107 -0.584 -9.433 -1.240 836 HG12 ILE 107 2HG1 ILE 107 -0.001 -8.312 0.874 837 HG13 ILE 107 1HG1 ILE 107 0.744 -9.899 0.761 838 HG21 ILE 107 1HG2 ILE 107 1.444 -10.794 -1.454 839 HG22 ILE 107 2HG2 ILE 107 2.372 -9.342 -1.833 840 HG23 ILE 107 3HG2 ILE 107 1.099 -9.886 -2.926 841 HD11 ILE 107 3HD1 ILE 107 2.866 -8.850 0.138 842 HD12 ILE 107 1HD1 ILE 107 2.283 -8.294 1.708 843 HD13 ILE 107 2HD1 ILE 107 2.111 -7.264 0.287 844 H ILE 108 HN ILE 108 1.707 -6.922 -3.721 845 HA ILE 108 HA ILE 108 -0.430 -7.405 -5.681 846 HB ILE 108 HB ILE 108 2.126 -5.825 -6.051 847 HG12 ILE 108 2HG1 ILE 108 -0.701 -4.828 -5.604 848 HG13 ILE 108 1HG1 ILE 108 0.584 -4.789 -4.404 849 HG21 ILE 108 1HG2 ILE 108 1.263 -6.736 -8.130 850 HG22 ILE 108 2HG2 ILE 108 1.016 -4.989 -8.084 851 HG23 ILE 108 3HG2 ILE 108 -0.336 -6.080 -7.776 852 HD11 ILE 108 3HD1 ILE 108 0.622 -3.343 -7.040 853 HD12 ILE 108 1HD1 ILE 108 1.857 -3.261 -5.783 854 HD13 ILE 108 2HD1 ILE 108 0.242 -2.621 -5.476 855 H SER 109 HN SER 109 -0.174 -8.854 -7.293 856 HA SER 109 HA SER 109 2.312 -10.424 -7.289 857 HB2 SER 109 2HB SER 109 0.207 -11.656 -6.778 858 HB3 SER 109 1HB SER 109 -0.423 -11.188 -8.357 859 HG SER 109 HG SER 109 0.752 -12.683 -9.259 860 H LEU 110 HN LEU 110 3.647 -9.543 -8.772 861 HA LEU 110 HA LEU 110 2.588 -8.577 -11.307 862 HB2 LEU 110 2HB LEU 110 4.814 -7.919 -9.691 863 HB3 LEU 110 1HB LEU 110 5.461 -8.570 -11.184 864 HG LEU 110 HG LEU 110 5.279 -6.140 -11.290 865 HD11 LEU 110 1HD1 LEU 110 4.008 -5.950 -13.376 866 HD12 LEU 110 2HD1 LEU 110 3.289 -7.533 -13.078 867 HD13 LEU 110 3HD1 LEU 110 5.024 -7.392 -13.361 868 HD21 LEU 110 3HD2 LEU 110 3.448 -5.785 -9.752 869 HD22 LEU 110 1HD2 LEU 110 2.333 -6.603 -10.848 870 HD23 LEU 110 2HD2 LEU 110 3.061 -5.067 -11.316 871 H ALA 111 HN ALA 111 3.226 -11.490 -10.149 872 HA ALA 111 HA ALA 111 4.846 -12.787 -12.016 873 HB1 ALA 111 1HB ALA 111 2.427 -13.888 -10.584 874 HB2 ALA 111 2HB ALA 111 4.065 -13.818 -9.933 875 HB3 ALA 111 3HB ALA 111 3.715 -14.832 -11.332 876 H GLU 112 HN GLU 112 1.627 -11.563 -12.249 877 HA GLU 112 HA GLU 112 1.468 -12.529 -15.021 878 HB2 GLU 112 2HB GLU 112 -0.237 -13.613 -13.570 879 HB3 GLU 112 1HB GLU 112 -0.860 -12.023 -13.153 880 HG2 GLU 112 2HG GLU 112 -2.254 -13.034 -14.831 881 HG3 GLU 112 1HG GLU 112 -1.420 -11.639 -15.514 882 HA PRO 113 HA PRO 113 1.789 -7.955 -14.962 883 HB2 PRO 113 2HB PRO 113 3.000 -8.317 -17.605 884 HB3 PRO 113 1HB PRO 113 3.671 -7.560 -16.161 885 HG2 PRO 113 2HG PRO 113 4.563 -9.931 -17.085 886 HG3 PRO 113 1HG PRO 113 4.534 -9.537 -15.357 887 HD2 PRO 113 2HD PRO 113 2.630 -11.209 -16.952 888 HD3 PRO 113 1HD PRO 113 3.288 -11.492 -15.325 889 H GLN 114 HN GLN 114 0.143 -10.107 -16.946 890 HA GLN 114 HA GLN 114 -1.032 -8.209 -18.736 891 HB2 GLN 114 2HB GLN 114 -2.061 -10.920 -17.865 892 HB3 GLN 114 1HB GLN 114 -2.622 -9.998 -19.253 893 HG2 GLN 114 2HG GLN 114 -0.423 -10.197 -20.285 894 HG3 GLN 114 1HG GLN 114 0.152 -11.107 -18.891 895 HE21 GLN 114 1HE2 GLN 114 -0.580 -13.208 -18.558 896 HE22 GLN 114 2HE2 GLN 114 -1.310 -14.129 -19.835 897 H LYS 115 HN LYS 115 -1.821 -9.600 -15.623 898 HA LYS 115 HA LYS 115 -3.671 -7.467 -15.025 899 HB2 LYS 115 2HB LYS 115 -4.528 -10.358 -15.196 900 HB3 LYS 115 1HB LYS 115 -5.399 -9.170 -14.246 901 HG2 LYS 115 2HG LYS 115 -5.892 -7.879 -16.221 902 HG3 LYS 115 1HG LYS 115 -4.898 -8.952 -17.205 903 HD2 LYS 115 2HD LYS 115 -7.087 -9.657 -17.619 904 HD3 LYS 115 1HD LYS 115 -6.478 -10.818 -16.444 905 HE2 LYS 115 2HE LYS 115 -8.061 -8.394 -15.636 906 HE3 LYS 115 1HE LYS 115 -8.833 -9.909 -16.093 907 HZ1 LYS 115 3HZ LYS 115 -7.530 -10.999 -14.318 908 HZ2 LYS 115 1HZ LYS 115 -8.616 -9.833 -13.737 909 HZ3 LYS 115 2HZ LYS 115 -6.963 -9.479 -13.828 910 HA PRO 116 HA PRO 116 -0.862 -8.849 -11.622 911 HB2 PRO 116 2HB PRO 116 -1.083 -6.008 -10.874 912 HB3 PRO 116 1HB PRO 116 0.361 -6.988 -11.146 913 HG2 PRO 116 2HG PRO 116 -0.396 -5.098 -12.886 914 HG3 PRO 116 1HG PRO 116 0.344 -6.615 -13.424 915 HD2 PRO 116 2HD PRO 116 -2.541 -5.807 -13.443 916 HD3 PRO 116 1HD PRO 116 -1.608 -6.685 -14.673 917 H VAL 117 HN VAL 117 -1.986 -9.902 -10.119 918 HA VAL 117 HA VAL 117 -4.509 -9.004 -9.141 919 HB VAL 117 HB VAL 117 -2.728 -11.170 -8.003 920 HG11 VAL 117 1HG1 VAL 117 -5.692 -10.710 -7.720 921 HG12 VAL 117 2HG1 VAL 117 -4.476 -10.444 -6.472 922 HG13 VAL 117 3HG1 VAL 117 -4.790 -12.075 -7.064 923 HG21 VAL 117 3HG2 VAL 117 -3.198 -11.564 -10.359 924 HG22 VAL 117 1HG2 VAL 117 -4.925 -11.389 -10.053 925 HG23 VAL 117 2HG2 VAL 117 -4.033 -12.733 -9.338 926 H CYS 118 HN CYS 118 -4.836 -7.532 -7.638 927 HA CYS 118 HA CYS 118 -2.762 -7.060 -5.605 928 HB2 CYS 118 2HB CYS 118 -4.812 -5.076 -6.602 929 HB3 CYS 118 1HB CYS 118 -3.449 -4.751 -5.537 930 HG CYS 118 HG CYS 118 -2.997 -5.829 -8.755 931 H LYS 119 HN LYS 119 -3.385 -7.759 -3.626 932 HA LYS 119 HA LYS 119 -6.218 -7.383 -2.911 933 HB2 LYS 119 2HB LYS 119 -4.503 -9.746 -2.151 934 HB3 LYS 119 1HB LYS 119 -6.099 -9.425 -1.508 935 HG2 LYS 119 2HG LYS 119 -5.490 -9.928 -4.412 936 HG3 LYS 119 1HG LYS 119 -6.103 -11.134 -3.277 937 HD2 LYS 119 2HD LYS 119 -7.497 -8.554 -4.002 938 HD3 LYS 119 1HD LYS 119 -7.884 -10.138 -4.674 939 HE2 LYS 119 2HE LYS 119 -8.031 -9.426 -1.744 940 HE3 LYS 119 1HE LYS 119 -9.406 -9.431 -2.843 941 HZ1 LYS 119 3HZ LYS 119 -9.366 -11.478 -1.634 942 HZ2 LYS 119 1HZ LYS 119 -7.752 -11.775 -2.065 943 HZ3 LYS 119 2HZ LYS 119 -8.963 -11.809 -3.250 944 H SER 120 HN SER 120 -6.592 -7.235 -0.611 945 HA SER 120 HA SER 120 -4.365 -5.883 0.753 946 HB2 SER 120 2HB SER 120 -6.447 -4.537 0.336 947 HB3 SER 120 1HB SER 120 -7.330 -5.688 1.335 948 HG SER 120 HG SER 120 -6.764 -4.416 2.901 949 H PHE 121 HN PHE 121 -3.486 -6.914 2.418 950 HA PHE 121 HA PHE 121 -5.038 -9.072 3.688 951 HB2 PHE 121 2HB PHE 121 -2.062 -8.951 3.167 952 HB3 PHE 121 1HB PHE 121 -2.864 -10.208 4.098 953 HD1 PHE 121 1HD PHE 121 -4.493 -11.718 2.956 954 HD2 PHE 121 2HD PHE 121 -1.980 -9.030 0.819 955 HE1 PHE 121 1HE PHE 121 -4.853 -13.023 0.904 956 HE2 PHE 121 2HE PHE 121 -2.341 -10.325 -1.239 957 HZ PHE 121 HZ PHE 121 -3.777 -12.326 -1.199 958 H LEU 122 HN LEU 122 -5.340 -8.906 5.785 959 HA LEU 122 HA LEU 122 -3.776 -6.993 7.338 960 HB2 LEU 122 2HB LEU 122 -6.121 -8.728 8.151 961 HB3 LEU 122 1HB LEU 122 -5.382 -7.483 9.138 962 HG LEU 122 HG LEU 122 -6.845 -7.003 6.539 963 HD11 LEU 122 1HD1 LEU 122 -8.357 -7.698 8.317 964 HD12 LEU 122 2HD1 LEU 122 -8.568 -5.986 7.946 965 HD13 LEU 122 3HD1 LEU 122 -7.678 -6.473 9.388 966 HD21 LEU 122 3HD2 LEU 122 -6.685 -4.635 7.165 967 HD22 LEU 122 1HD2 LEU 122 -5.097 -5.360 6.917 968 HD23 LEU 122 2HD2 LEU 122 -5.691 -5.078 8.555 969 H ILE 123 HN ILE 123 -1.878 -7.776 7.979 970 HA ILE 123 HA ILE 123 -1.532 -10.630 8.375 971 HB ILE 123 HB ILE 123 0.524 -8.438 8.692 972 HG12 ILE 123 2HG1 ILE 123 -0.350 -8.388 6.419 973 HG13 ILE 123 1HG1 ILE 123 1.273 -9.065 6.415 974 HG21 ILE 123 1HG2 ILE 123 2.146 -10.239 8.412 975 HG22 ILE 123 2HG2 ILE 123 0.835 -11.408 8.275 976 HG23 ILE 123 3HG2 ILE 123 1.093 -10.548 9.793 977 HD11 ILE 123 3HD1 ILE 123 -1.275 -10.655 6.284 978 HD12 ILE 123 1HD1 ILE 123 0.364 -11.299 6.210 979 HD13 ILE 123 2HD1 ILE 123 -0.234 -10.261 4.916 980 H LYS 124 HN LYS 124 -2.142 -11.424 10.271 981 HA LYS 124 HA LYS 124 -1.882 -9.703 12.632 982 HB2 LYS 124 2HB LYS 124 -3.659 -12.091 12.133 983 HB3 LYS 124 1HB LYS 124 -3.554 -11.230 13.660 984 HG2 LYS 124 2HG LYS 124 -4.402 -9.216 12.614 985 HG3 LYS 124 1HG LYS 124 -4.458 -10.036 11.050 986 HD2 LYS 124 2HD LYS 124 -6.070 -11.635 11.933 987 HD3 LYS 124 1HD LYS 124 -5.985 -10.865 13.516 988 HE2 LYS 124 2HE LYS 124 -6.919 -8.829 12.621 989 HE3 LYS 124 1HE LYS 124 -6.897 -9.498 10.990 990 HZ1 LYS 124 3HZ LYS 124 -8.463 -10.638 13.242 991 HZ2 LYS 124 1HZ LYS 124 -8.518 -11.116 11.614 992 HZ3 LYS 124 2HZ LYS 124 -9.099 -9.586 12.076 993 H LYS 125 HN LYS 125 -1.755 -11.063 14.681 994 HA LYS 125 HA LYS 125 0.657 -12.485 14.839 995 HB2 LYS 125 2HB LYS 125 -0.590 -11.294 16.695 996 HB3 LYS 125 1HB LYS 125 -1.699 -12.652 16.726 997 HG2 LYS 125 2HG LYS 125 0.139 -14.143 17.321 998 HG3 LYS 125 1HG LYS 125 1.252 -12.772 17.294 999 HD2 LYS 125 2HD LYS 125 -0.157 -11.686 19.043 1000 HD3 LYS 125 1HD LYS 125 -1.101 -13.174 19.140 1001 HE2 LYS 125 2HE LYS 125 0.605 -13.054 20.898 1002 HE3 LYS 125 1HE LYS 125 0.879 -14.411 19.806 1003 HZ1 LYS 125 3HZ LYS 125 2.872 -13.006 20.444 1004 HZ2 LYS 125 1HZ LYS 125 2.236 -11.809 19.427 1005 HZ3 LYS 125 2HZ LYS 125 2.664 -13.324 18.790 1006 H ASP 126 HN ASP 126 -2.690 -13.546 15.052 1007 HA ASP 126 HA ASP 126 -2.282 -16.308 15.042 1008 HB2 ASP 126 2HB ASP 126 -4.656 -14.842 13.867 1009 HB3 ASP 126 1HB ASP 126 -4.629 -16.489 14.484 1010 H GLY 127 HN GLY 127 -3.755 -14.579 12.316 1011 HA2 GLY 127 2HA GLY 127 -1.988 -15.953 10.441 1012 HA3 GLY 127 1HA GLY 127 -3.702 -16.323 10.348 1013 H VAL 128 HN VAL 128 -4.127 -15.459 8.376 1014 HA VAL 128 HA VAL 128 -3.698 -12.555 8.104 1015 HB VAL 128 HB VAL 128 -3.565 -14.590 5.871 1016 HG11 VAL 128 1HG1 VAL 128 -2.823 -12.706 4.493 1017 HG12 VAL 128 2HG1 VAL 128 -3.076 -11.616 5.855 1018 HG13 VAL 128 3HG1 VAL 128 -4.448 -12.453 5.129 1019 HG21 VAL 128 3HG2 VAL 128 -1.187 -14.058 5.750 1020 HG22 VAL 128 1HG2 VAL 128 -1.609 -14.731 7.322 1021 HG23 VAL 128 2HG2 VAL 128 -1.345 -12.997 7.150 1022 H ASP 129 HN ASP 129 -5.514 -11.462 7.901 1023 HA ASP 129 HA ASP 129 -7.890 -12.786 6.754 1024 HB2 ASP 129 2HB ASP 129 -7.636 -10.438 8.647 1025 HB3 ASP 129 1HB ASP 129 -9.135 -10.825 7.818 1026 H GLU 130 HN GLU 130 -8.711 -11.981 4.836 1027 HA GLU 130 HA GLU 130 -7.189 -9.809 3.647 1028 HB2 GLU 130 2HB GLU 130 -8.155 -10.519 1.543 1029 HB3 GLU 130 1HB GLU 130 -7.421 -11.877 2.366 1030 HG2 GLU 130 2HG GLU 130 -9.584 -12.692 3.034 1031 HG3 GLU 130 1HG GLU 130 -10.366 -11.269 2.339 1032 H GLU 131 HN GLU 131 -8.038 -7.942 2.932 1033 HA GLU 131 HA GLU 131 -10.736 -7.289 3.885 1034 HB2 GLU 131 2HB GLU 131 -8.906 -5.911 4.778 1035 HB3 GLU 131 1HB GLU 131 -8.417 -5.489 3.146 1036 HG2 GLU 131 2HG GLU 131 -9.627 -3.666 4.147 1037 HG3 GLU 131 1HG GLU 131 -10.552 -4.342 2.810 1038 H GLU 132 HN GLU 132 -12.292 -6.605 2.489 1039 HA GLU 132 HA GLU 132 -11.941 -7.259 -0.266 1040 HB2 GLU 132 2HB GLU 132 -14.313 -6.612 -0.459 1041 HB3 GLU 132 1HB GLU 132 -14.032 -7.749 0.846 1042 HG2 GLU 132 2HG GLU 132 -13.994 -5.794 2.403 1043 HG3 GLU 132 1HG GLU 132 -14.542 -4.800 1.059 1044 H ILE 133 HN ILE 133 -11.885 -5.946 -2.018 1045 HA ILE 133 HA ILE 133 -11.182 -3.149 -1.462 1046 HB ILE 133 HB ILE 133 -10.360 -4.823 -3.840 1047 HG12 ILE 133 2HG1 ILE 133 -8.775 -4.043 -1.378 1048 HG13 ILE 133 1HG1 ILE 133 -9.356 -5.659 -1.748 1049 HG21 ILE 133 1HG2 ILE 133 -9.470 -2.100 -2.899 1050 HG22 ILE 133 2HG2 ILE 133 -10.422 -2.455 -4.341 1051 HG23 ILE 133 3HG2 ILE 133 -8.747 -2.999 -4.233 1052 HD11 ILE 133 3HD1 ILE 133 -7.922 -5.749 -3.710 1053 HD12 ILE 133 1HD1 ILE 133 -6.989 -5.416 -2.251 1054 HD13 ILE 133 2HD1 ILE 133 -7.357 -4.110 -3.376 1055 H ILE 134 HN ILE 134 -12.418 -1.606 -2.217 1056 HA ILE 134 HA ILE 134 -14.291 -2.212 -4.408 1057 HB ILE 134 HB ILE 134 -14.435 -0.077 -2.263 1058 HG12 ILE 134 2HG1 ILE 134 -16.691 -1.214 -1.847 1059 HG13 ILE 134 1HG1 ILE 134 -16.106 -2.518 -2.869 1060 HG21 ILE 134 1HG2 ILE 134 -15.177 0.879 -4.359 1061 HG22 ILE 134 2HG2 ILE 134 -16.554 0.626 -3.289 1062 HG23 ILE 134 3HG2 ILE 134 -16.261 -0.485 -4.627 1063 HD11 ILE 134 3HD1 ILE 134 -14.233 -2.859 -1.312 1064 HD12 ILE 134 1HD1 ILE 134 -15.809 -3.079 -0.550 1065 HD13 ILE 134 2HD1 ILE 134 -14.897 -1.595 -0.277 1066 H LEU 135 HN LEU 135 -14.096 -1.116 -6.296 1067 HA LEU 135 HA LEU 135 -11.857 0.772 -6.466 1068 HB2 LEU 135 2HB LEU 135 -13.146 -0.934 -8.596 1069 HB3 LEU 135 1HB LEU 135 -11.859 0.217 -8.886 1070 HG LEU 135 HG LEU 135 -11.685 -2.305 -7.242 1071 HD11 LEU 135 1HD1 LEU 135 -10.087 -2.999 -8.929 1072 HD12 LEU 135 2HD1 LEU 135 -10.291 -1.468 -9.781 1073 HD13 LEU 135 3HD1 LEU 135 -11.635 -2.608 -9.678 1074 HD21 LEU 135 3HD2 LEU 135 -10.385 -0.540 -6.184 1075 HD22 LEU 135 1HD2 LEU 135 -9.603 -0.176 -7.721 1076 HD23 LEU 135 2HD2 LEU 135 -9.322 -1.730 -6.936 1077 H LYS 136 HN LYS 136 -12.029 2.487 -8.086 1078 HA LYS 136 HA LYS 136 -14.543 3.313 -9.123 1079 HB2 LYS 136 2HB LYS 136 -14.642 3.852 -6.596 1080 HB3 LYS 136 1HB LYS 136 -13.463 5.102 -6.947 1081 HG2 LYS 136 2HG LYS 136 -14.962 6.385 -8.119 1082 HG3 LYS 136 1HG LYS 136 -15.983 5.008 -8.535 1083 HD2 LYS 136 2HD LYS 136 -17.066 6.481 -6.897 1084 HD3 LYS 136 1HD LYS 136 -16.770 4.876 -6.232 1085 HE2 LYS 136 2HE LYS 136 -14.730 5.755 -5.143 1086 HE3 LYS 136 1HE LYS 136 -15.136 7.360 -5.743 1087 HZ1 LYS 136 3HZ LYS 136 -17.162 7.322 -4.450 1088 HZ2 LYS 136 1HZ LYS 136 -15.835 7.019 -3.445 1089 HZ3 LYS 136 2HZ LYS 136 -16.835 5.742 -3.919 1090 H GLU 137 HN GLU 137 -14.280 5.468 -10.285 1091 HA GLU 137 HA GLU 137 -11.625 5.590 -11.395 1092 HB2 GLU 137 2HB GLU 137 -14.261 6.760 -12.074 1093 HB3 GLU 137 1HB GLU 137 -12.838 7.629 -12.627 1094 HG2 GLU 137 2HG GLU 137 -13.655 6.136 -14.345 1095 HG3 GLU 137 1HG GLU 137 -12.060 5.635 -13.793 1096 H GLU 138 HN GLU 138 -13.414 7.306 -9.058 1097 HA GLU 138 HA GLU 138 -11.191 9.089 -8.535 1098 HB2 GLU 138 2HB GLU 138 -13.741 9.971 -9.734 1099 HB3 GLU 138 1HB GLU 138 -13.198 10.913 -8.357 1100 HG2 GLU 138 2HG GLU 138 -11.525 10.356 -10.795 1101 HG3 GLU 138 1HG GLU 138 -12.484 11.816 -10.549 1102 H LEU 139 HN LEU 139 -12.133 10.704 -6.679 1103 HA LEU 139 HA LEU 139 -13.063 8.963 -4.553 1104 HB2 LEU 139 2HB LEU 139 -12.337 11.896 -4.543 1105 HB3 LEU 139 1HB LEU 139 -12.710 10.944 -3.119 1106 HG LEU 139 HG LEU 139 -10.351 10.495 -4.951 1107 HD11 LEU 139 1HD1 LEU 139 -10.490 11.653 -2.170 1108 HD12 LEU 139 2HD1 LEU 139 -10.145 12.549 -3.650 1109 HD13 LEU 139 3HD1 LEU 139 -9.018 11.318 -3.081 1110 HD21 LEU 139 3HD2 LEU 139 -11.070 9.192 -2.327 1111 HD22 LEU 139 1HD2 LEU 139 -9.602 8.911 -3.262 1112 HD23 LEU 139 2HD2 LEU 139 -11.168 8.430 -3.914 1113 H GLU 140 HN GLU 140 -14.545 10.822 -3.032 1114 HA GLU 140 HA GLU 140 -17.028 10.870 -4.488 1115 HB2 GLU 140 2HB GLU 140 -16.259 11.627 -1.683 1116 HB3 GLU 140 1HB GLU 140 -17.843 12.033 -2.335 1117 HG2 GLU 140 2HG GLU 140 -16.667 9.277 -2.044 1118 HG3 GLU 140 1HG GLU 140 -17.978 9.977 -1.094 1119 H HIS 141 HN HIS 141 -18.365 12.928 -4.407 1120 HA HIS 141 HA HIS 141 -18.703 14.959 -5.346 1121 HB2 HIS 141 2HB HIS 141 -15.899 15.578 -4.386 1122 HB3 HIS 141 1HB HIS 141 -16.997 16.755 -5.090 1123 HD1 HIS 141 1HD HIS 141 -19.508 16.554 -3.609 1124 HD2 HIS 141 2HD HIS 141 -15.843 15.927 -1.745 1125 HE1 HIS 141 1HE HIS 141 -19.896 17.030 -1.166 1126 HE2 HIS 141 2HE HIS 141 -17.609 16.881 -0.117 1127 H HIS 142 HN HIS 142 -18.850 14.066 -7.415 1128 HA HIS 142 HA HIS 142 -16.658 13.693 -9.141 1129 HB2 HIS 142 2HB HIS 142 -19.579 14.192 -9.580 1130 HB3 HIS 142 1HB HIS 142 -18.479 14.272 -10.952 1131 HD1 HIS 142 1HD HIS 142 -17.703 12.102 -11.955 1132 HD2 HIS 142 2HD HIS 142 -19.684 11.584 -8.326 1133 HE1 HIS 142 1HE HIS 142 -18.049 9.621 -11.712 1134 HE2 HIS 142 2HE HIS 142 -19.090 9.316 -9.440 1135 H HIS 143 HN HIS 143 -15.185 15.170 -9.455 1136 HA HIS 143 HA HIS 143 -16.000 17.983 -9.716 1137 HB2 HIS 143 2HB HIS 143 -13.819 18.522 -8.526 1138 HB3 HIS 143 1HB HIS 143 -15.077 17.803 -7.529 1139 HD1 HIS 143 1HD HIS 143 -13.747 16.558 -5.815 1140 HD2 HIS 143 2HD HIS 143 -12.426 15.792 -9.682 1141 HE1 HIS 143 1HE HIS 143 -12.056 14.714 -5.602 1142 HE2 HIS 143 2HE HIS 143 -11.486 14.085 -7.978 1143 H HIS 144 HN HIS 144 -14.197 19.349 -10.631 1144 HA HIS 144 HA HIS 144 -13.200 18.306 -13.059 1145 HB2 HIS 144 2HB HIS 144 -11.931 20.385 -13.250 1146 HB3 HIS 144 1HB HIS 144 -13.565 20.722 -12.699 1147 HD1 HIS 144 1HD HIS 144 -10.038 21.220 -11.841 1148 HD2 HIS 144 2HD HIS 144 -13.712 21.437 -9.902 1149 HE1 HIS 144 1HE HIS 144 -9.616 22.521 -9.722 1150 HE2 HIS 144 2HE HIS 144 -11.879 22.748 -8.632 1151 H HIS 145 HN HIS 145 -11.374 17.220 -13.525 1152 HA HIS 145 HA HIS 145 -9.922 16.166 -11.262 1153 HB2 HIS 145 2HB HIS 145 -10.719 14.930 -13.452 1154 HB3 HIS 145 1HB HIS 145 -9.182 15.517 -14.086 1155 HD1 HIS 145 1HD HIS 145 -6.992 14.714 -12.665 1156 HD2 HIS 145 2HD HIS 145 -10.556 12.692 -11.962 1157 HE1 HIS 145 1HE HIS 145 -6.353 12.613 -11.441 1158 HE2 HIS 145 2HE HIS 145 -8.558 11.564 -10.788 1159 H HIS 146 HN HIS 146 -7.996 16.819 -10.563 1160 HA HIS 146 HA HIS 146 -6.311 18.338 -12.425 1161 HB2 HIS 146 2HB HIS 146 -5.178 19.308 -10.428 1162 HB3 HIS 146 1HB HIS 146 -6.872 19.753 -10.549 1163 HD1 HIS 146 1HD HIS 146 -4.689 17.296 -8.661 1164 HD2 HIS 146 2HD HIS 146 -8.285 19.329 -8.265 1165 HE1 HIS 146 1HE HIS 146 -5.464 16.834 -6.315 1166 HE2 HIS 146 2HE HIS 146 -7.529 18.251 -6.032 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -13.784 -3.200 4.567 2 H2 MET 1 H2 MET 1 -12.595 -4.408 4.636 3 H3 MET 1 H3 MET 1 -14.174 -4.799 4.169 4 HA MET 1 HA MET 1 -12.599 -4.693 2.306 5 HB2 MET 1 2HB MET 1 -14.073 -3.560 0.821 6 HB3 MET 1 1HB MET 1 -15.076 -4.261 2.078 7 HG2 MET 1 2HG MET 1 -14.206 -1.382 1.942 8 HG3 MET 1 1HG MET 1 -15.782 -2.000 1.458 9 HE1 MET 1 2HE MET 1 -15.348 0.407 3.503 10 HE2 MET 1 3HE MET 1 -16.545 0.019 4.739 11 HE3 MET 1 1HE MET 1 -16.940 -0.186 3.032 12 H ILE 2 HN ILE 2 -11.210 -3.470 1.020 13 HA ILE 2 HA ILE 2 -10.448 -0.867 2.170 14 HB ILE 2 HB ILE 2 -8.580 -2.383 2.295 15 HG12 ILE 2 2HG1 ILE 2 -8.180 -0.488 -0.029 16 HG13 ILE 2 1HG1 ILE 2 -8.118 -0.036 1.672 17 HG21 ILE 2 1HG2 ILE 2 -7.601 -3.433 0.302 18 HG22 ILE 2 2HG2 ILE 2 -8.961 -2.842 -0.656 19 HG23 ILE 2 3HG2 ILE 2 -9.234 -4.010 0.636 20 HD11 ILE 2 3HD1 ILE 2 -6.197 -1.538 1.968 21 HD12 ILE 2 1HD1 ILE 2 -5.894 -0.273 0.777 22 HD13 ILE 2 2HD1 ILE 2 -6.251 -1.916 0.246 23 H THR 3 HN THR 3 -10.660 0.906 0.941 24 HA THR 3 HA THR 3 -11.551 0.450 -1.826 25 HB THR 3 HB THR 3 -12.320 2.735 -0.001 26 HG1 THR 3 1HG THR 3 -13.310 0.194 -0.346 27 HG21 THR 3 3HG2 THR 3 -12.393 3.375 -2.342 28 HG22 THR 3 1HG2 THR 3 -14.037 3.170 -1.733 29 HG23 THR 3 2HG2 THR 3 -13.307 1.919 -2.739 30 H LEU 4 HN LEU 4 -10.175 1.079 -3.295 31 HA LEU 4 HA LEU 4 -8.899 3.689 -2.985 32 HB2 LEU 4 2HB LEU 4 -6.881 2.765 -4.207 33 HB3 LEU 4 1HB LEU 4 -7.054 2.328 -2.526 34 HG LEU 4 HG LEU 4 -8.148 0.153 -3.478 35 HD11 LEU 4 1HD1 LEU 4 -6.509 1.083 -5.831 36 HD12 LEU 4 2HD1 LEU 4 -8.260 0.875 -5.793 37 HD13 LEU 4 3HD1 LEU 4 -7.201 -0.526 -5.628 38 HD21 LEU 4 3HD2 LEU 4 -5.184 0.658 -3.691 39 HD22 LEU 4 1HD2 LEU 4 -5.967 -0.913 -3.525 40 HD23 LEU 4 2HD2 LEU 4 -6.059 0.262 -2.213 41 H THR 5 HN THR 5 -8.236 4.575 -5.114 42 HA THR 5 HA THR 5 -10.554 4.175 -6.825 43 HB THR 5 HB THR 5 -10.108 6.328 -7.733 44 HG1 THR 5 1HG THR 5 -7.916 7.222 -6.652 45 HG21 THR 5 3HG2 THR 5 -10.974 6.410 -5.458 46 HG22 THR 5 1HG2 THR 5 -9.866 7.754 -5.734 47 HG23 THR 5 2HG2 THR 5 -9.334 6.349 -4.812 48 H LYS 6 HN LYS 6 -10.272 4.278 -9.215 49 HA LYS 6 HA LYS 6 -8.498 2.447 -10.305 50 HB2 LYS 6 2HB LYS 6 -9.885 4.827 -11.547 51 HB3 LYS 6 1HB LYS 6 -8.948 3.675 -12.481 52 HG2 LYS 6 2HG LYS 6 -11.337 2.953 -10.795 53 HG3 LYS 6 1HG LYS 6 -11.388 3.264 -12.531 54 HD2 LYS 6 2HD LYS 6 -9.817 1.422 -12.904 55 HD3 LYS 6 1HD LYS 6 -9.780 1.102 -11.169 56 HE2 LYS 6 2HE LYS 6 -11.277 -0.456 -12.258 57 HE3 LYS 6 1HE LYS 6 -12.199 0.634 -11.229 58 HZ1 LYS 6 3HZ LYS 6 -13.262 0.277 -13.381 59 HZ2 LYS 6 1HZ LYS 6 -11.905 0.908 -14.176 60 HZ3 LYS 6 2HZ LYS 6 -12.837 1.902 -13.174 61 H LYS 7 HN LYS 7 -8.204 5.923 -9.906 62 HA LYS 7 HA LYS 7 -5.765 6.408 -11.125 63 HB2 LYS 7 2HB LYS 7 -7.185 8.198 -10.412 64 HB3 LYS 7 1HB LYS 7 -7.152 7.647 -8.748 65 HG2 LYS 7 2HG LYS 7 -4.780 8.204 -8.616 66 HG3 LYS 7 1HG LYS 7 -4.839 8.782 -10.281 67 HD2 LYS 7 2HD LYS 7 -6.229 10.587 -9.727 68 HD3 LYS 7 1HD LYS 7 -6.676 9.874 -8.178 69 HE2 LYS 7 2HE LYS 7 -5.156 11.732 -7.844 70 HE3 LYS 7 1HE LYS 7 -4.394 10.218 -7.363 71 HZ1 LYS 7 3HZ LYS 7 -3.064 10.214 -9.292 72 HZ2 LYS 7 1HZ LYS 7 -2.983 11.792 -8.682 73 HZ3 LYS 7 2HZ LYS 7 -3.961 11.454 -10.023 74 H GLN 8 HN GLN 8 -6.464 5.545 -7.732 75 HA GLN 8 HA GLN 8 -3.809 5.578 -6.850 76 HB2 GLN 8 2HB GLN 8 -6.013 3.783 -5.824 77 HB3 GLN 8 1HB GLN 8 -4.557 4.257 -4.960 78 HG2 GLN 8 2HG GLN 8 -6.963 5.896 -5.637 79 HG3 GLN 8 1HG GLN 8 -6.219 5.609 -4.072 80 HE21 GLN 8 1HE2 GLN 8 -4.246 6.685 -3.591 81 HE22 GLN 8 2HE2 GLN 8 -3.835 8.158 -4.394 82 H MET 9 HN MET 9 -5.731 2.965 -8.265 83 HA MET 9 HA MET 9 -3.782 0.946 -8.085 84 HB2 MET 9 2HB MET 9 -6.135 0.504 -8.668 85 HB3 MET 9 1HB MET 9 -5.916 1.347 -10.195 86 HG2 MET 9 2HG MET 9 -5.854 -1.058 -10.509 87 HG3 MET 9 1HG MET 9 -4.299 -0.329 -10.907 88 HE1 MET 9 3HE MET 9 -5.154 -2.666 -7.020 89 HE2 MET 9 1HE MET 9 -6.312 -2.521 -8.343 90 HE3 MET 9 2HE MET 9 -5.873 -1.100 -7.394 91 H GLU 10 HN GLU 10 -4.482 3.315 -10.633 92 HA GLU 10 HA GLU 10 -2.514 2.547 -12.456 93 HB2 GLU 10 2HB GLU 10 -3.920 5.151 -11.876 94 HB3 GLU 10 1HB GLU 10 -2.804 4.972 -13.202 95 HG2 GLU 10 2HG GLU 10 -5.336 3.412 -12.813 96 HG3 GLU 10 1HG GLU 10 -5.096 4.746 -13.944 97 H GLU 11 HN GLU 11 -2.413 4.780 -9.705 98 HA GLU 11 HA GLU 11 0.088 5.888 -10.239 99 HB2 GLU 11 2HB GLU 11 -1.174 7.188 -8.848 100 HB3 GLU 11 1HB GLU 11 -1.910 5.810 -8.047 101 HG2 GLU 11 2HG GLU 11 -0.228 5.602 -6.549 102 HG3 GLU 11 1HG GLU 11 0.940 6.366 -7.615 103 H MET 12 HN MET 12 -0.994 3.152 -8.260 104 HA MET 12 HA MET 12 1.601 2.463 -7.312 105 HB2 MET 12 2HB MET 12 -0.935 0.826 -7.554 106 HB3 MET 12 1HB MET 12 0.526 0.250 -6.767 107 HG2 MET 12 2HG MET 12 0.358 2.125 -5.172 108 HG3 MET 12 1HG MET 12 -1.157 2.600 -5.937 109 HE1 MET 12 3HE MET 12 -3.357 -0.611 -5.198 110 HE2 MET 12 1HE MET 12 -2.336 -0.326 -6.606 111 HE3 MET 12 2HE MET 12 -3.345 0.975 -5.970 112 H LEU 13 HN LEU 13 -0.419 1.300 -9.982 113 HA LEU 13 HA LEU 13 1.246 -0.767 -10.854 114 HB2 LEU 13 2HB LEU 13 -0.852 0.886 -12.214 115 HB3 LEU 13 1HB LEU 13 0.037 -0.334 -13.098 116 HG LEU 13 HG LEU 13 -1.768 -0.763 -10.720 117 HD11 LEU 13 1HD1 LEU 13 -3.084 -2.083 -12.286 118 HD12 LEU 13 2HD1 LEU 13 -1.943 -1.707 -13.578 119 HD13 LEU 13 3HD1 LEU 13 -2.908 -0.421 -12.852 120 HD21 LEU 13 3HD2 LEU 13 0.166 -2.233 -10.538 121 HD22 LEU 13 1HD2 LEU 13 -0.063 -2.767 -12.202 122 HD23 LEU 13 2HD2 LEU 13 -1.273 -3.153 -10.977 123 H ALA 14 HN ALA 14 1.102 2.628 -11.926 124 HA ALA 14 HA ALA 14 3.046 2.408 -13.943 125 HB1 ALA 14 1HB ALA 14 1.540 4.339 -13.716 126 HB2 ALA 14 2HB ALA 14 3.232 4.826 -13.822 127 HB3 ALA 14 3HB ALA 14 2.409 4.830 -12.263 128 H HIS 15 HN HIS 15 3.336 3.284 -10.511 129 HA HIS 15 HA HIS 15 6.124 3.711 -10.536 130 HB2 HIS 15 2HB HIS 15 4.529 4.375 -8.687 131 HB3 HIS 15 1HB HIS 15 4.504 2.688 -8.197 132 HD1 HIS 15 1HD HIS 15 6.666 5.734 -8.175 133 HD2 HIS 15 2HD HIS 15 6.832 1.764 -6.929 134 HE1 HIS 15 1HE HIS 15 8.693 5.569 -6.684 135 HE2 HIS 15 2HE HIS 15 8.694 3.188 -5.839 136 H ALA 16 HN ALA 16 4.151 0.840 -10.106 137 HA ALA 16 HA ALA 16 6.131 -0.950 -9.279 138 HB1 ALA 16 1HB ALA 16 3.736 -1.466 -9.237 139 HB2 ALA 16 2HB ALA 16 4.656 -2.715 -10.078 140 HB3 ALA 16 3HB ALA 16 3.724 -1.535 -10.999 141 H ARG 17 HN ARG 17 4.987 -0.238 -12.597 142 HA ARG 17 HA ARG 17 6.856 -1.976 -13.833 143 HB2 ARG 17 2HB ARG 17 5.429 0.409 -15.023 144 HB3 ARG 17 1HB ARG 17 6.297 -0.817 -15.936 145 HG2 ARG 17 2HG ARG 17 4.692 -2.495 -14.887 146 HG3 ARG 17 1HG ARG 17 3.735 -1.092 -14.405 147 HD2 ARG 17 2HD ARG 17 2.832 -1.822 -16.464 148 HD3 ARG 17 1HD ARG 17 3.783 -0.385 -16.829 149 HE ARG 17 HE ARG 17 5.299 -2.792 -17.145 150 HH11 ARG 17 1HH1 ARG 17 2.973 -0.688 -18.735 151 HH12 ARG 17 2HH1 ARG 17 3.386 -1.242 -20.331 152 HH21 ARG 17 1HH2 ARG 17 5.803 -3.533 -19.239 153 HH22 ARG 17 2HH2 ARG 17 4.987 -2.861 -20.618 154 H GLN 18 HN GLN 18 6.953 1.454 -13.001 155 HA GLN 18 HA GLN 18 9.343 2.081 -14.319 156 HB2 GLN 18 2HB GLN 18 7.884 3.259 -11.967 157 HB3 GLN 18 1HB GLN 18 9.332 3.966 -12.628 158 HG2 GLN 18 2HG GLN 18 8.232 4.266 -14.780 159 HG3 GLN 18 1HG GLN 18 6.775 3.518 -14.127 160 HE21 GLN 18 1HE2 GLN 18 8.834 5.706 -12.345 161 HE22 GLN 18 2HE2 GLN 18 7.704 7.015 -12.252 162 H ALA 19 HN ALA 19 8.678 0.443 -11.332 163 HA ALA 19 HA ALA 19 11.422 0.786 -10.391 164 HB1 ALA 19 1HB ALA 19 9.604 1.077 -8.776 165 HB2 ALA 19 2HB ALA 19 10.667 -0.257 -8.329 166 HB3 ALA 19 3HB ALA 19 9.094 -0.590 -9.054 167 H LEU 20 HN LEU 20 9.561 -1.449 -12.152 168 HA LEU 20 HA LEU 20 10.673 -3.885 -11.378 169 HB2 LEU 20 2HB LEU 20 9.575 -2.953 -14.022 170 HB3 LEU 20 1HB LEU 20 10.101 -4.601 -13.744 171 HG LEU 20 HG LEU 20 7.858 -3.187 -12.300 172 HD11 LEU 20 1HD1 LEU 20 6.438 -4.835 -13.424 173 HD12 LEU 20 2HD1 LEU 20 7.845 -5.446 -14.295 174 HD13 LEU 20 3HD1 LEU 20 7.281 -3.799 -14.577 175 HD21 LEU 20 3HD2 LEU 20 9.047 -4.732 -10.825 176 HD22 LEU 20 1HD2 LEU 20 8.862 -6.017 -12.019 177 HD23 LEU 20 2HD2 LEU 20 7.440 -5.336 -11.228 178 HA PRO 21 HA PRO 21 11.226 -5.709 -12.334 179 HB2 PRO 21 2HB PRO 21 13.162 -7.546 -12.236 180 HB3 PRO 21 1HB PRO 21 12.564 -6.916 -13.774 181 HG2 PRO 21 2HG PRO 21 15.114 -6.365 -12.371 182 HG3 PRO 21 1HG PRO 21 14.750 -6.327 -14.103 183 HD2 PRO 21 2HD PRO 21 14.882 -4.122 -12.295 184 HD3 PRO 21 1HD PRO 21 14.425 -4.091 -14.009 185 H ASN 22 HN ASN 22 12.237 -3.777 -10.315 186 HA ASN 22 HA ASN 22 13.106 -5.550 -8.152 187 HB2 ASN 22 2HB ASN 22 12.688 -2.548 -8.089 188 HB3 ASN 22 1HB ASN 22 13.461 -3.523 -6.846 189 HD21 ASN 22 1HD2 ASN 22 13.792 -2.019 -9.932 190 HD22 ASN 22 2HD2 ASN 22 15.496 -2.269 -10.107 191 H GLU 23 HN GLU 23 11.910 -5.788 -6.225 192 HA GLU 23 HA GLU 23 9.120 -5.822 -6.357 193 HB2 GLU 23 2HB GLU 23 11.048 -5.815 -4.044 194 HB3 GLU 23 1HB GLU 23 9.313 -5.874 -3.791 195 HG2 GLU 23 2HG GLU 23 10.268 -8.086 -3.662 196 HG3 GLU 23 1HG GLU 23 9.193 -7.962 -5.049 197 H ALA 24 HN ALA 24 7.724 -4.199 -6.418 198 HA ALA 24 HA ALA 24 8.486 -1.504 -5.933 199 HB1 ALA 24 1HB ALA 24 6.170 -0.955 -6.446 200 HB2 ALA 24 2HB ALA 24 5.733 -2.661 -6.352 201 HB3 ALA 24 3HB ALA 24 6.823 -2.099 -7.620 202 H CYS 25 HN CYS 25 8.428 -0.361 -4.119 203 HA CYS 25 HA CYS 25 6.957 -1.452 -1.802 204 HB2 CYS 25 2HB CYS 25 9.412 0.313 -1.699 205 HB3 CYS 25 1HB CYS 25 8.670 -0.572 -0.370 206 HG CYS 25 HG CYS 25 9.548 -2.653 -2.787 207 H GLY 26 HN GLY 26 6.316 0.285 -0.185 208 HA2 GLY 26 2HA GLY 26 6.370 2.981 -0.513 209 HA3 GLY 26 1HA GLY 26 5.046 2.479 -1.557 210 H LEU 27 HN LEU 27 4.222 4.113 0.240 211 HA LEU 27 HA LEU 27 3.021 2.471 2.382 212 HB2 LEU 27 2HB LEU 27 3.883 5.365 2.507 213 HB3 LEU 27 1HB LEU 27 2.942 4.559 3.747 214 HG LEU 27 HG LEU 27 5.745 3.785 2.931 215 HD11 LEU 27 1HD1 LEU 27 5.702 5.953 4.023 216 HD12 LEU 27 2HD1 LEU 27 6.393 4.733 5.093 217 HD13 LEU 27 3HD1 LEU 27 4.737 5.287 5.340 218 HD21 LEU 27 3HD2 LEU 27 5.695 2.370 4.908 219 HD22 LEU 27 1HD2 LEU 27 4.405 1.914 3.796 220 HD23 LEU 27 2HD2 LEU 27 4.034 2.859 5.239 221 H LEU 28 HN LEU 28 0.911 3.306 3.130 222 HA LEU 28 HA LEU 28 -0.567 4.512 0.879 223 HB2 LEU 28 2HB LEU 28 -1.550 2.618 3.010 224 HB3 LEU 28 1HB LEU 28 -2.545 3.334 1.759 225 HG LEU 28 HG LEU 28 -0.246 1.440 1.285 226 HD11 LEU 28 1HD1 LEU 28 -2.142 0.358 2.352 227 HD12 LEU 28 2HD1 LEU 28 -1.991 -0.150 0.670 228 HD13 LEU 28 3HD1 LEU 28 -3.224 1.025 1.128 229 HD21 LEU 28 3HD2 LEU 28 -1.044 1.394 -1.020 230 HD22 LEU 28 1HD2 LEU 28 -0.572 3.028 -0.553 231 HD23 LEU 28 2HD2 LEU 28 -2.280 2.590 -0.627 232 H GLY 29 HN GLY 29 -1.659 6.347 1.212 233 HA2 GLY 29 2HA GLY 29 -2.077 7.212 4.006 234 HA3 GLY 29 1HA GLY 29 -1.569 8.320 2.737 235 H GLY 30 HN GLY 30 -3.992 8.156 4.515 236 HA2 GLY 30 2HA GLY 30 -5.833 9.353 2.875 237 HA3 GLY 30 1HA GLY 30 -6.204 7.635 2.774 238 H ARG 31 HN ARG 31 -8.205 7.917 3.781 239 HA ARG 31 HA ARG 31 -8.066 8.673 6.617 240 HB2 ARG 31 2HB ARG 31 -10.321 8.848 4.632 241 HB3 ARG 31 1HB ARG 31 -10.606 8.908 6.365 242 HG2 ARG 31 2HG ARG 31 -9.008 10.848 6.452 243 HG3 ARG 31 1HG ARG 31 -9.044 10.849 4.686 244 HD2 ARG 31 2HD ARG 31 -10.635 12.456 5.725 245 HD3 ARG 31 1HD ARG 31 -11.405 11.266 4.673 246 HE ARG 31 HE ARG 31 -11.949 10.042 6.795 247 HH11 ARG 31 1HH1 ARG 31 -11.447 13.499 6.805 248 HH12 ARG 31 2HH1 ARG 31 -12.488 13.786 8.167 249 HH21 ARG 31 1HH2 ARG 31 -13.280 10.379 8.609 250 HH22 ARG 31 2HH2 ARG 31 -13.518 11.995 9.223 251 H ARG 32 HN ARG 32 -8.968 7.356 8.148 252 HA ARG 32 HA ARG 32 -10.038 4.788 7.231 253 HB2 ARG 32 2HB ARG 32 -8.839 3.683 9.130 254 HB3 ARG 32 1HB ARG 32 -7.778 4.291 7.869 255 HG2 ARG 32 2HG ARG 32 -7.328 6.282 9.259 256 HG3 ARG 32 1HG ARG 32 -8.313 5.575 10.538 257 HD2 ARG 32 2HD ARG 32 -5.973 4.110 9.355 258 HD3 ARG 32 1HD ARG 32 -5.766 5.274 10.660 259 HE ARG 32 HE ARG 32 -7.765 3.350 11.296 260 HH11 ARG 32 1HH1 ARG 32 -4.293 3.743 11.051 261 HH12 ARG 32 2HH1 ARG 32 -3.946 2.605 12.317 262 HH21 ARG 32 1HH2 ARG 32 -7.312 1.865 12.966 263 HH22 ARG 32 2HH2 ARG 32 -5.661 1.540 13.402 264 H ASP 33 HN ASP 33 -11.397 3.734 8.735 265 HA ASP 33 HA ASP 33 -12.500 5.493 10.831 266 HB2 ASP 33 2HB ASP 33 -13.948 5.052 8.725 267 HB3 ASP 33 1HB ASP 33 -14.124 3.418 9.356 268 H GLY 34 HN GLY 34 -14.262 3.271 11.722 269 HA2 GLY 34 2HA GLY 34 -12.674 2.073 13.645 270 HA3 GLY 34 1HA GLY 34 -14.198 1.417 13.086 271 H ASP 35 HN ASP 35 -13.741 0.622 10.613 272 HA ASP 35 HA ASP 35 -11.240 -0.912 10.576 273 HB2 ASP 35 2HB ASP 35 -13.072 -2.401 11.353 274 HB3 ASP 35 1HB ASP 35 -13.938 -2.081 9.853 275 H ASP 36 HN ASP 36 -13.472 1.062 8.953 276 HA ASP 36 HA ASP 36 -12.941 0.161 6.287 277 HB2 ASP 36 2HB ASP 36 -13.813 2.953 6.889 278 HB3 ASP 36 1HB ASP 36 -14.253 1.931 5.539 279 H ARG 37 HN ARG 37 -11.504 0.916 4.850 280 HA ARG 37 HA ARG 37 -9.708 3.077 5.651 281 HB2 ARG 37 2HB ARG 37 -7.782 1.839 4.622 282 HB3 ARG 37 1HB ARG 37 -8.388 1.150 6.118 283 HG2 ARG 37 2HG ARG 37 -9.415 0.079 3.540 284 HG3 ARG 37 1HG ARG 37 -7.786 -0.355 4.054 285 HD2 ARG 37 2HD ARG 37 -10.296 -0.744 5.685 286 HD3 ARG 37 1HD ARG 37 -9.470 -2.003 4.768 287 HE ARG 37 HE ARG 37 -7.700 -0.740 6.600 288 HH11 ARG 37 1HH1 ARG 37 -10.248 -3.122 6.376 289 HH12 ARG 37 2HH1 ARG 37 -9.790 -3.948 7.829 290 HH21 ARG 37 1HH2 ARG 37 -7.066 -1.836 8.518 291 HH22 ARG 37 2HH2 ARG 37 -7.982 -3.207 9.054 292 H TRP 38 HN TRP 38 -9.591 4.623 4.188 293 HA TRP 38 HA TRP 38 -10.253 3.965 1.388 294 HB2 TRP 38 2HB TRP 38 -10.729 6.575 2.847 295 HB3 TRP 38 1HB TRP 38 -11.128 6.248 1.163 296 HD1 TRP 38 1HD TRP 38 -13.111 4.350 0.772 297 HE1 TRP 38 1HE TRP 38 -15.200 3.879 2.200 298 HE3 TRP 38 3HE TRP 38 -11.636 6.573 5.136 299 HZ2 TRP 38 2HZ TRP 38 -16.104 4.381 4.824 300 HZ3 TRP 38 3HZ TRP 38 -13.172 6.530 7.057 301 HH2 TRP 38 2HH TRP 38 -15.357 5.458 6.902 302 H VAL 39 HN VAL 39 -8.570 4.132 0.080 303 HA VAL 39 HA VAL 39 -6.221 5.631 0.925 304 HB VAL 39 HB VAL 39 -6.588 3.987 -1.587 305 HG11 VAL 39 1HG1 VAL 39 -4.752 5.582 -1.705 306 HG12 VAL 39 2HG1 VAL 39 -4.143 3.930 -1.629 307 HG13 VAL 39 3HG1 VAL 39 -4.094 4.955 -0.195 308 HG21 VAL 39 3HG2 VAL 39 -5.431 2.183 -0.411 309 HG22 VAL 39 1HG2 VAL 39 -6.947 2.601 0.390 310 HG23 VAL 39 2HG2 VAL 39 -5.412 3.151 1.064 311 H GLU 40 HN GLU 40 -6.447 7.782 0.592 312 HA GLU 40 HA GLU 40 -7.693 8.726 -1.855 313 HB2 GLU 40 2HB GLU 40 -6.656 10.218 0.554 314 HB3 GLU 40 1HB GLU 40 -7.357 11.000 -0.857 315 HG2 GLU 40 2HG GLU 40 -9.405 9.531 -0.420 316 HG3 GLU 40 1HG GLU 40 -8.691 9.233 1.164 317 H ARG 41 HN ARG 41 -4.503 8.391 -0.479 318 HA ARG 41 HA ARG 41 -3.386 9.060 -3.072 319 HB2 ARG 41 2HB ARG 41 -3.366 11.223 -1.884 320 HB3 ARG 41 1HB ARG 41 -2.443 10.487 -0.579 321 HG2 ARG 41 2HG ARG 41 -0.921 11.682 -1.961 322 HG3 ARG 41 1HG ARG 41 -0.655 9.960 -2.240 323 HD2 ARG 41 2HD ARG 41 -2.458 10.422 -4.155 324 HD3 ARG 41 1HD ARG 41 -1.762 12.036 -4.042 325 HE ARG 41 HE ARG 41 -0.521 9.664 -5.118 326 HH11 ARG 41 1HH1 ARG 41 0.109 12.822 -3.695 327 HH12 ARG 41 2HH1 ARG 41 1.662 12.981 -4.451 328 HH21 ARG 41 1HH2 ARG 41 1.470 9.892 -6.133 329 HH22 ARG 41 2HH2 ARG 41 2.452 11.307 -5.835 330 H VAL 42 HN VAL 42 -1.724 7.765 -3.574 331 HA VAL 42 HA VAL 42 -0.666 6.027 -1.467 332 HB VAL 42 HB VAL 42 -0.282 5.840 -4.466 333 HG11 VAL 42 1HG1 VAL 42 0.545 3.587 -4.021 334 HG12 VAL 42 2HG1 VAL 42 0.347 3.847 -2.288 335 HG13 VAL 42 3HG1 VAL 42 1.525 4.796 -3.195 336 HG21 VAL 42 3HG2 VAL 42 -1.872 3.953 -4.352 337 HG22 VAL 42 1HG2 VAL 42 -2.612 5.492 -3.904 338 HG23 VAL 42 2HG2 VAL 42 -2.166 4.331 -2.654 339 H TYR 43 HN TYR 43 1.400 6.180 -0.771 340 HA TYR 43 HA TYR 43 3.143 8.074 -2.191 341 HB2 TYR 43 2HB TYR 43 2.835 7.613 0.771 342 HB3 TYR 43 1HB TYR 43 4.271 8.374 0.091 343 HD1 TYR 43 1HD TYR 43 3.404 10.187 -1.880 344 HD2 TYR 43 2HD TYR 43 1.445 9.180 1.756 345 HE1 TYR 43 1HE TYR 43 2.262 12.362 -1.903 346 HE2 TYR 43 2HE TYR 43 0.291 11.354 1.742 347 HH TYR 43 HH TYR 43 0.907 13.772 0.608 348 HA PRO 44 HA PRO 44 5.392 4.123 -2.315 349 HB2 PRO 44 2HB PRO 44 6.098 4.747 -5.023 350 HB3 PRO 44 1HB PRO 44 5.015 3.480 -4.450 351 HG2 PRO 44 2HG PRO 44 4.218 5.684 -5.903 352 HG3 PRO 44 1HG PRO 44 3.153 4.726 -4.859 353 HD2 PRO 44 2HD PRO 44 4.501 7.337 -4.309 354 HD3 PRO 44 1HD PRO 44 2.879 6.783 -3.839 355 H LEU 45 HN LEU 45 6.976 4.978 -0.930 356 HA LEU 45 HA LEU 45 8.822 6.973 -1.692 357 HB2 LEU 45 2HB LEU 45 8.992 4.829 0.422 358 HB3 LEU 45 1HB LEU 45 10.222 6.056 0.196 359 HG LEU 45 HG LEU 45 8.931 6.838 1.976 360 HD11 LEU 45 1HD1 LEU 45 7.792 8.833 1.129 361 HD12 LEU 45 2HD1 LEU 45 7.868 8.172 -0.504 362 HD13 LEU 45 3HD1 LEU 45 9.355 8.574 0.354 363 HD21 LEU 45 3HD2 LEU 45 6.495 6.929 1.994 364 HD22 LEU 45 1HD2 LEU 45 7.071 5.278 1.771 365 HD23 LEU 45 2HD2 LEU 45 6.448 6.188 0.395 366 H ASN 46 HN ASN 46 11.230 6.513 -1.739 367 HA ASN 46 HA ASN 46 11.775 4.983 -4.036 368 HB2 ASN 46 2HB ASN 46 13.084 6.958 -3.366 369 HB3 ASN 46 1HB ASN 46 13.715 6.069 -1.986 370 HD21 ASN 46 1HD2 ASN 46 15.801 6.488 -2.786 371 HD22 ASN 46 2HD2 ASN 46 16.462 5.553 -4.090 372 H ASN 47 HN ASN 47 12.841 3.059 -4.324 373 HA ASN 47 HA ASN 47 12.445 1.120 -2.227 374 HB2 ASN 47 2HB ASN 47 11.882 0.410 -4.445 375 HB3 ASN 47 1HB ASN 47 13.450 0.906 -5.073 376 HD21 ASN 47 1HD2 ASN 47 11.724 -1.514 -3.242 377 HD22 ASN 47 2HD2 ASN 47 12.976 -2.701 -3.266 378 H LEU 48 HN LEU 48 13.895 1.221 -0.608 379 HA LEU 48 HA LEU 48 16.665 1.720 -1.024 380 HB2 LEU 48 2HB LEU 48 15.011 0.773 1.291 381 HB3 LEU 48 1HB LEU 48 16.760 0.716 1.378 382 HG LEU 48 HG LEU 48 15.784 2.718 2.443 383 HD11 LEU 48 1HD1 LEU 48 17.503 3.276 0.031 384 HD12 LEU 48 2HD1 LEU 48 18.073 2.765 1.619 385 HD13 LEU 48 3HD1 LEU 48 17.307 4.342 1.423 386 HD21 LEU 48 3HD2 LEU 48 13.886 3.080 0.972 387 HD22 LEU 48 1HD2 LEU 48 14.979 3.484 -0.353 388 HD23 LEU 48 2HD2 LEU 48 14.895 4.523 1.070 389 H ASP 49 HN ASP 49 14.789 -1.218 -0.243 390 HA ASP 49 HA ASP 49 16.803 -2.727 -1.755 391 HB2 ASP 49 2HB ASP 49 16.915 -3.006 0.875 392 HB3 ASP 49 1HB ASP 49 15.512 -4.025 0.614 393 H GLN 50 HN GLN 50 15.871 -3.942 -3.277 394 HA GLN 50 HA GLN 50 13.102 -4.052 -3.670 395 HB2 GLN 50 2HB GLN 50 13.604 -5.858 -5.299 396 HB3 GLN 50 1HB GLN 50 14.643 -4.456 -5.507 397 HG2 GLN 50 2HG GLN 50 16.432 -5.621 -4.300 398 HG3 GLN 50 1HG GLN 50 15.390 -7.033 -4.143 399 HE21 GLN 50 1HE2 GLN 50 17.972 -6.777 -5.440 400 HE22 GLN 50 2HE2 GLN 50 17.741 -7.254 -7.084 401 H SER 51 HN SER 51 15.377 -6.242 -2.152 402 HA SER 51 HA SER 51 15.206 -8.060 -0.841 403 HB2 SER 51 2HB SER 51 12.474 -6.960 -0.153 404 HB3 SER 51 1HB SER 51 13.446 -8.066 0.816 405 HG SER 51 HG SER 51 14.594 -5.644 0.053 406 HA PRO 52 HA PRO 52 13.730 -11.239 -3.380 407 HB2 PRO 52 2HB PRO 52 13.138 -13.183 -1.474 408 HB3 PRO 52 1HB PRO 52 14.729 -12.880 -2.178 409 HG2 PRO 52 2HG PRO 52 13.593 -11.947 0.421 410 HG3 PRO 52 1HG PRO 52 15.240 -12.486 0.043 411 HD2 PRO 52 2HD PRO 52 14.668 -9.892 0.328 412 HD3 PRO 52 1HD PRO 52 15.817 -10.441 -0.910 413 H GLU 53 HN GLU 53 11.703 -10.593 -0.558 414 HA GLU 53 HA GLU 53 9.307 -10.975 -2.207 415 HB2 GLU 53 2HB GLU 53 9.684 -12.243 0.516 416 HB3 GLU 53 1HB GLU 53 8.230 -12.317 -0.461 417 HG2 GLU 53 2HG GLU 53 9.265 -13.719 -2.055 418 HG3 GLU 53 1HG GLU 53 10.865 -13.424 -1.372 419 H HIS 54 HN HIS 54 10.990 -8.936 -0.400 420 HA HIS 54 HA HIS 54 8.764 -8.124 1.350 421 HB2 HIS 54 2HB HIS 54 11.715 -7.958 2.003 422 HB3 HIS 54 1HB HIS 54 10.386 -7.525 3.070 423 HD1 HIS 54 1HD HIS 54 12.616 -9.733 3.659 424 HD2 HIS 54 2HD HIS 54 8.737 -10.440 2.327 425 HE1 HIS 54 1HE HIS 54 12.086 -12.096 4.331 426 HE2 HIS 54 2HE HIS 54 9.797 -12.548 3.379 427 H PHE 55 HN PHE 55 9.986 -5.848 2.390 428 HA PHE 55 HA PHE 55 10.628 -4.137 0.108 429 HB2 PHE 55 2HB PHE 55 8.947 -2.480 0.763 430 HB3 PHE 55 1HB PHE 55 8.163 -4.012 0.393 431 HD1 PHE 55 2HD PHE 55 7.499 -5.507 2.343 432 HD2 PHE 55 1HD PHE 55 8.626 -1.438 2.817 433 HE1 PHE 55 2HE PHE 55 6.400 -5.467 4.541 434 HE2 PHE 55 1HE PHE 55 7.532 -1.386 5.021 435 HZ PHE 55 HZ PHE 55 6.415 -3.403 5.885 436 H SER 56 HN SER 56 11.649 -2.167 0.736 437 HA SER 56 HA SER 56 12.131 -1.722 3.560 438 HB2 SER 56 2HB SER 56 14.444 -2.070 1.654 439 HB3 SER 56 1HB SER 56 14.554 -1.625 3.351 440 HG SER 56 HG SER 56 13.115 -3.880 3.085 441 H MET 57 HN MET 57 11.971 0.322 3.950 442 HA MET 57 HA MET 57 12.877 2.279 1.963 443 HB2 MET 57 2HB MET 57 10.435 2.491 3.746 444 HB3 MET 57 1HB MET 57 11.127 3.843 2.866 445 HG2 MET 57 2HG MET 57 9.406 3.198 1.495 446 HG3 MET 57 1HG MET 57 10.775 2.349 0.781 447 HE1 MET 57 3HE MET 57 7.600 0.370 3.483 448 HE2 MET 57 1HE MET 57 7.591 2.071 3.014 449 HE3 MET 57 2HE MET 57 8.841 1.462 4.098 450 H ASP 58 HN ASP 58 13.576 4.322 2.982 451 HA ASP 58 HA ASP 58 15.005 3.733 5.440 452 HB2 ASP 58 2HB ASP 58 16.123 4.832 3.478 453 HB3 ASP 58 1HB ASP 58 15.103 6.239 3.748 454 HA PRO 59 HA PRO 59 12.256 5.741 8.318 455 HB2 PRO 59 2HB PRO 59 14.338 7.196 9.600 456 HB3 PRO 59 1HB PRO 59 13.602 5.682 10.127 457 HG2 PRO 59 2HG PRO 59 16.127 6.148 8.652 458 HG3 PRO 59 1HG PRO 59 15.686 4.826 9.747 459 HD2 PRO 59 2HD PRO 59 15.841 4.466 7.087 460 HD3 PRO 59 1HD PRO 59 14.621 3.629 8.070 461 H ARG 60 HN ARG 60 14.810 7.669 6.744 462 HA ARG 60 HA ARG 60 13.587 10.185 7.196 463 HB2 ARG 60 2HB ARG 60 15.541 9.288 5.074 464 HB3 ARG 60 1HB ARG 60 15.057 10.960 5.313 465 HG2 ARG 60 2HG ARG 60 15.996 10.930 7.553 466 HG3 ARG 60 1HG ARG 60 16.444 9.234 7.355 467 HD2 ARG 60 2HD ARG 60 17.950 9.802 5.554 468 HD3 ARG 60 1HD ARG 60 17.439 11.487 5.619 469 HE ARG 60 HE ARG 60 18.382 10.822 8.148 470 HH11 ARG 60 1HH1 ARG 60 19.654 10.997 4.884 471 HH12 ARG 60 2HH1 ARG 60 21.253 11.467 5.395 472 HH21 ARG 60 1HH2 ARG 60 20.490 11.411 8.828 473 HH22 ARG 60 2HH2 ARG 60 21.716 11.725 7.634 474 H GLU 61 HN GLU 61 13.435 7.906 4.509 475 HA GLU 61 HA GLU 61 11.844 9.469 2.794 476 HB2 GLU 61 2HB GLU 61 12.233 6.487 3.033 477 HB3 GLU 61 1HB GLU 61 11.236 7.215 1.782 478 HG2 GLU 61 2HG GLU 61 14.148 7.849 2.204 479 HG3 GLU 61 1HG GLU 61 13.540 6.656 1.054 480 H GLN 62 HN GLN 62 11.033 7.117 5.290 481 HA GLN 62 HA GLN 62 8.234 7.148 4.794 482 HB2 GLN 62 2HB GLN 62 9.798 6.315 7.239 483 HB3 GLN 62 1HB GLN 62 8.070 6.062 7.037 484 HG2 GLN 62 2HG GLN 62 8.499 4.665 5.083 485 HG3 GLN 62 1HG GLN 62 10.231 4.917 5.283 486 HE21 GLN 62 1HE2 GLN 62 8.057 4.515 7.977 487 HE22 GLN 62 2HE2 GLN 62 8.632 2.961 8.457 488 H LEU 63 HN LEU 63 10.325 8.829 7.096 489 HA LEU 63 HA LEU 63 8.326 10.160 8.536 490 HB2 LEU 63 2HB LEU 63 10.681 9.991 9.241 491 HB3 LEU 63 1HB LEU 63 11.147 11.061 7.935 492 HG LEU 63 HG LEU 63 9.854 12.883 8.971 493 HD11 LEU 63 1HD1 LEU 63 9.414 10.915 11.214 494 HD12 LEU 63 2HD1 LEU 63 8.173 11.525 10.119 495 HD13 LEU 63 3HD1 LEU 63 8.985 12.625 11.234 496 HD21 LEU 63 3HD2 LEU 63 11.340 13.227 10.898 497 HD22 LEU 63 1HD2 LEU 63 12.217 12.665 9.474 498 HD23 LEU 63 2HD2 LEU 63 11.854 11.543 10.786 499 H THR 64 HN THR 64 10.008 11.014 5.554 500 HA THR 64 HA THR 64 8.907 13.609 5.302 501 HB THR 64 HB THR 64 9.891 11.791 3.091 502 HG1 THR 64 1HG THR 64 11.569 12.070 4.535 503 HG21 THR 64 3HG2 THR 64 9.629 14.799 3.222 504 HG22 THR 64 1HG2 THR 64 8.619 13.714 2.266 505 HG23 THR 64 2HG2 THR 64 10.332 13.884 1.888 506 H ALA 65 HN ALA 65 7.851 10.421 4.200 507 HA ALA 65 HA ALA 65 5.698 11.315 2.601 508 HB1 ALA 65 1HB ALA 65 4.892 9.020 2.705 509 HB2 ALA 65 2HB ALA 65 6.003 8.676 4.032 510 HB3 ALA 65 3HB ALA 65 6.632 9.056 2.428 511 H VAL 66 HN VAL 66 5.870 10.239 5.980 512 HA VAL 66 HA VAL 66 3.128 10.559 6.562 513 HB VAL 66 HB VAL 66 5.481 10.746 8.457 514 HG11 VAL 66 1HG1 VAL 66 3.460 11.681 9.444 515 HG12 VAL 66 2HG1 VAL 66 3.864 10.141 10.201 516 HG13 VAL 66 3HG1 VAL 66 2.562 10.224 9.015 517 HG21 VAL 66 3HG2 VAL 66 3.765 8.391 7.678 518 HG22 VAL 66 1HG2 VAL 66 5.001 8.385 8.935 519 HG23 VAL 66 2HG2 VAL 66 5.458 8.637 7.250 520 H LYS 67 HN LYS 67 5.841 12.767 6.589 521 HA LYS 67 HA LYS 67 4.732 14.922 7.978 522 HB2 LYS 67 2HB LYS 67 7.105 14.725 7.303 523 HB3 LYS 67 1HB LYS 67 6.644 14.982 5.630 524 HG2 LYS 67 2HG LYS 67 5.734 17.221 6.348 525 HG3 LYS 67 1HG LYS 67 6.528 16.945 7.900 526 HD2 LYS 67 2HD LYS 67 7.880 17.006 5.202 527 HD3 LYS 67 1HD LYS 67 7.930 18.287 6.413 528 HE2 LYS 67 2HE LYS 67 8.938 15.482 6.880 529 HE3 LYS 67 1HE LYS 67 9.957 16.820 6.354 530 HZ1 LYS 67 3HZ LYS 67 10.039 16.446 8.764 531 HZ2 LYS 67 1HZ LYS 67 8.379 16.780 8.871 532 HZ3 LYS 67 2HZ LYS 67 9.461 17.994 8.377 533 H ASP 68 HN ASP 68 4.654 14.159 4.517 534 HA ASP 68 HA ASP 68 3.113 16.453 3.783 535 HB2 ASP 68 2HB ASP 68 4.648 15.069 2.288 536 HB3 ASP 68 1HB ASP 68 3.362 13.871 2.235 537 H MET 69 HN MET 69 2.448 13.126 4.563 538 HA MET 69 HA MET 69 -0.252 12.967 3.813 539 HB2 MET 69 2HB MET 69 1.442 11.145 4.517 540 HB3 MET 69 1HB MET 69 0.955 11.526 6.158 541 HG2 MET 69 2HG MET 69 -1.346 10.935 5.621 542 HG3 MET 69 1HG MET 69 -0.862 10.554 3.971 543 HE1 MET 69 3HE MET 69 1.695 7.598 4.664 544 HE2 MET 69 1HE MET 69 2.062 9.323 4.624 545 HE3 MET 69 2HE MET 69 0.987 8.619 3.415 546 H ARG 70 HN ARG 70 1.259 13.699 6.924 547 HA ARG 70 HA ARG 70 -1.168 14.071 8.350 548 HB2 ARG 70 2HB ARG 70 0.949 13.515 9.453 549 HB3 ARG 70 1HB ARG 70 1.628 15.055 8.953 550 HG2 ARG 70 2HG ARG 70 -0.036 16.221 10.329 551 HG3 ARG 70 1HG ARG 70 -0.672 14.662 10.855 552 HD2 ARG 70 2HD ARG 70 1.429 14.100 11.889 553 HD3 ARG 70 1HD ARG 70 2.174 15.565 11.251 554 HE ARG 70 HE ARG 70 0.017 15.560 13.272 555 HH11 ARG 70 1HH1 ARG 70 3.001 16.829 11.955 556 HH12 ARG 70 2HH1 ARG 70 3.116 18.133 13.100 557 HH21 ARG 70 1HH2 ARG 70 0.149 17.273 14.802 558 HH22 ARG 70 2HH2 ARG 70 1.488 18.376 14.722 559 H LYS 71 HN LYS 71 0.778 16.118 6.356 560 HA LYS 71 HA LYS 71 0.002 18.654 7.254 561 HB2 LYS 71 2HB LYS 71 1.867 18.243 5.713 562 HB3 LYS 71 1HB LYS 71 0.736 17.747 4.468 563 HG2 LYS 71 2HG LYS 71 -0.229 20.013 4.479 564 HG3 LYS 71 1HG LYS 71 0.998 20.501 5.652 565 HD2 LYS 71 2HD LYS 71 2.757 19.991 4.074 566 HD3 LYS 71 1HD LYS 71 1.581 19.364 2.919 567 HE2 LYS 71 2HE LYS 71 0.549 21.624 2.836 568 HE3 LYS 71 1HE LYS 71 1.856 22.212 3.865 569 HZ1 LYS 71 3HZ LYS 71 2.291 22.628 1.516 570 HZ2 LYS 71 1HZ LYS 71 2.206 20.968 1.189 571 HZ3 LYS 71 2HZ LYS 71 3.447 21.575 2.172 572 H ASN 72 HN ASN 72 -1.472 16.465 4.912 573 HA ASN 72 HA ASN 72 -3.615 18.348 4.346 574 HB2 ASN 72 2HB ASN 72 -3.021 15.569 3.325 575 HB3 ASN 72 1HB ASN 72 -4.486 16.447 2.900 576 HD21 ASN 72 1HD2 ASN 72 -3.947 16.468 0.736 577 HD22 ASN 72 2HD2 ASN 72 -2.703 17.482 0.100 578 H GLY 73 HN GLY 73 -2.994 15.759 6.483 579 HA2 GLY 73 2HA GLY 73 -4.406 15.478 8.402 580 HA3 GLY 73 1HA GLY 73 -5.783 15.916 7.400 581 H TRP 74 HN TRP 74 -3.467 13.756 6.049 582 HA TRP 74 HA TRP 74 -5.386 11.561 6.280 583 HB2 TRP 74 2HB TRP 74 -2.924 11.928 4.565 584 HB3 TRP 74 1HB TRP 74 -3.831 10.423 4.641 585 HD1 TRP 74 1HD TRP 74 -6.766 11.486 4.480 586 HE1 TRP 74 1HE TRP 74 -7.650 12.521 2.297 587 HE3 TRP 74 3HE TRP 74 -2.303 12.799 2.370 588 HZ2 TRP 74 2HZ TRP 74 -6.573 13.752 -0.021 589 HZ3 TRP 74 3HZ TRP 74 -2.314 13.899 0.169 590 HH2 TRP 74 2HH TRP 74 -4.403 14.365 -1.001 591 H VAL 75 HN VAL 75 -4.570 9.412 6.782 592 HA VAL 75 HA VAL 75 -2.256 9.472 8.599 593 HB VAL 75 HB VAL 75 -3.429 7.737 9.972 594 HG11 VAL 75 1HG1 VAL 75 -4.895 9.300 11.146 595 HG12 VAL 75 2HG1 VAL 75 -4.837 10.396 9.767 596 HG13 VAL 75 3HG1 VAL 75 -3.373 10.066 10.694 597 HG21 VAL 75 3HG2 VAL 75 -5.801 8.522 8.281 598 HG22 VAL 75 1HG2 VAL 75 -5.881 7.557 9.756 599 HG23 VAL 75 2HG2 VAL 75 -5.029 6.938 8.340 600 H MET 76 HN MET 76 -1.325 7.281 8.958 601 HA MET 76 HA MET 76 -0.845 6.053 6.420 602 HB2 MET 76 2HB MET 76 0.952 6.324 8.071 603 HB3 MET 76 1HB MET 76 0.093 5.268 9.185 604 HG2 MET 76 2HG MET 76 0.314 3.423 7.574 605 HG3 MET 76 1HG MET 76 1.234 4.483 6.511 606 HE1 MET 76 3HE MET 76 2.672 3.170 10.694 607 HE2 MET 76 1HE MET 76 1.169 2.603 9.961 608 HE3 MET 76 2HE MET 76 1.342 4.294 10.429 609 H LEU 77 HN LEU 77 -2.103 4.588 5.540 610 HA LEU 77 HA LEU 77 -3.938 3.009 7.150 611 HB2 LEU 77 2HB LEU 77 -3.471 2.970 4.166 612 HB3 LEU 77 1HB LEU 77 -4.813 2.232 5.018 613 HG LEU 77 HG LEU 77 -4.279 5.201 4.878 614 HD11 LEU 77 1HD1 LEU 77 -6.283 3.477 3.432 615 HD12 LEU 77 2HD1 LEU 77 -4.919 4.336 2.714 616 HD13 LEU 77 3HD1 LEU 77 -6.259 5.241 3.419 617 HD21 LEU 77 3HD2 LEU 77 -6.620 3.650 5.978 618 HD22 LEU 77 1HD2 LEU 77 -6.521 5.405 5.838 619 HD23 LEU 77 2HD2 LEU 77 -5.429 4.543 6.923 620 H GLY 78 HN GLY 78 -0.925 2.684 5.498 621 HA2 GLY 78 2HA GLY 78 0.114 0.543 6.718 622 HA3 GLY 78 1HA GLY 78 -0.950 -0.211 5.536 623 H ASN 79 HN ASN 79 0.585 -1.104 4.235 624 HA ASN 79 HA ASN 79 2.074 0.763 2.566 625 HB2 ASN 79 2HB ASN 79 4.190 -0.420 2.796 626 HB3 ASN 79 1HB ASN 79 3.668 0.166 4.368 627 HD21 ASN 79 1HD2 ASN 79 3.106 -1.295 5.953 628 HD22 ASN 79 2HD2 ASN 79 3.398 -2.992 5.811 629 H PHE 80 HN PHE 80 3.303 -0.617 0.845 630 HA PHE 80 HA PHE 80 1.921 -3.113 0.283 631 HB2 PHE 80 2HB PHE 80 1.371 -2.551 -1.990 632 HB3 PHE 80 1HB PHE 80 0.660 -1.344 -0.932 633 HD1 PHE 80 1HD PHE 80 1.598 0.939 -0.860 634 HD2 PHE 80 2HD PHE 80 3.017 -1.992 -3.599 635 HE1 PHE 80 1HE PHE 80 2.633 2.710 -2.219 636 HE2 PHE 80 2HE PHE 80 4.057 -0.228 -4.959 637 HZ PHE 80 HZ PHE 80 3.863 2.127 -4.270 638 H HIS 81 HN HIS 81 3.058 -4.547 -0.959 639 HA HIS 81 HA HIS 81 5.635 -3.771 -2.027 640 HB2 HIS 81 2HB HIS 81 6.769 -5.736 -0.890 641 HB3 HIS 81 1HB HIS 81 6.423 -4.349 0.127 642 HD1 HIS 81 1HD HIS 81 4.353 -4.652 1.815 643 HD2 HIS 81 2HD HIS 81 5.787 -8.119 0.024 644 HE1 HIS 81 1HE HIS 81 3.507 -6.544 3.234 645 HE2 HIS 81 2HE HIS 81 4.663 -8.588 2.318 646 H SER 82 HN SER 82 5.974 -4.746 -3.902 647 HA SER 82 HA SER 82 3.937 -6.736 -4.659 648 HB2 SER 82 2HB SER 82 5.255 -4.673 -6.437 649 HB3 SER 82 1HB SER 82 3.872 -5.696 -6.834 650 HG SER 82 HG SER 82 3.967 -3.663 -4.854 651 H HIS 83 HN HIS 83 4.497 -8.265 -6.311 652 HA HIS 83 HA HIS 83 7.393 -8.854 -6.363 653 HB2 HIS 83 2HB HIS 83 5.062 -10.785 -6.468 654 HB3 HIS 83 1HB HIS 83 6.757 -11.235 -6.587 655 HD1 HIS 83 1HD HIS 83 4.517 -11.993 -4.324 656 HD2 HIS 83 2HD HIS 83 7.796 -9.449 -3.968 657 HE1 HIS 83 1HE HIS 83 5.032 -11.885 -1.863 658 HE2 HIS 83 2HE HIS 83 6.974 -10.288 -1.661 659 HA PRO 84 HA PRO 84 6.932 -8.578 -10.773 660 HB2 PRO 84 2HB PRO 84 9.495 -9.791 -11.184 661 HB3 PRO 84 1HB PRO 84 9.085 -8.078 -11.213 662 HG2 PRO 84 2HG PRO 84 10.678 -9.279 -9.308 663 HG3 PRO 84 1HG PRO 84 9.811 -7.747 -9.083 664 HD2 PRO 84 2HD PRO 84 9.080 -10.499 -8.158 665 HD3 PRO 84 1HD PRO 84 8.881 -8.939 -7.333 666 H ALA 85 HN ALA 85 8.437 -11.630 -9.651 667 HA ALA 85 HA ALA 85 6.942 -13.025 -11.779 668 HB1 ALA 85 1HB ALA 85 9.311 -12.861 -12.344 669 HB2 ALA 85 2HB ALA 85 8.844 -14.536 -12.049 670 HB3 ALA 85 3HB ALA 85 9.735 -13.637 -10.819 671 H THR 86 HN THR 86 6.214 -12.618 -8.987 672 HA THR 86 HA THR 86 5.949 -15.415 -8.209 673 HB THR 86 HB THR 86 6.331 -14.388 -5.749 674 HG1 THR 86 1HG THR 86 8.561 -13.203 -6.615 675 HG21 THR 86 3HG2 THR 86 8.502 -15.404 -7.587 676 HG22 THR 86 1HG2 THR 86 7.408 -16.392 -6.619 677 HG23 THR 86 2HG2 THR 86 8.594 -15.356 -5.827 678 HA PRO 87 HA PRO 87 1.783 -14.435 -7.320 679 HB2 PRO 87 2HB PRO 87 1.931 -15.998 -4.816 680 HB3 PRO 87 1HB PRO 87 0.943 -16.265 -6.255 681 HG2 PRO 87 2HG PRO 87 3.026 -17.845 -5.699 682 HG3 PRO 87 1HG PRO 87 2.625 -17.394 -7.367 683 HD2 PRO 87 2HD PRO 87 4.753 -16.295 -5.568 684 HD3 PRO 87 1HD PRO 87 4.838 -16.700 -7.296 685 H ALA 88 HN ALA 88 0.253 -13.660 -5.618 686 HA ALA 88 HA ALA 88 1.611 -11.616 -4.021 687 HB1 ALA 88 1HB ALA 88 -1.287 -11.774 -4.838 688 HB2 ALA 88 2HB ALA 88 -0.038 -10.842 -5.664 689 HB3 ALA 88 3HB ALA 88 -0.503 -10.427 -4.013 690 H ARG 89 HN ARG 89 2.131 -13.358 -2.437 691 HA ARG 89 HA ARG 89 0.303 -12.970 -0.246 692 HB2 ARG 89 2HB ARG 89 0.667 -15.639 -1.486 693 HB3 ARG 89 1HB ARG 89 0.780 -15.593 0.268 694 HG2 ARG 89 2HG ARG 89 -1.434 -14.420 0.294 695 HG3 ARG 89 1HG ARG 89 -1.542 -14.717 -1.439 696 HD2 ARG 89 2HD ARG 89 -1.577 -17.082 -1.105 697 HD3 ARG 89 1HD ARG 89 -1.185 -16.904 0.605 698 HE ARG 89 HE ARG 89 -3.614 -15.566 -0.148 699 HH11 ARG 89 1HH1 ARG 89 -2.286 -18.681 0.753 700 HH12 ARG 89 2HH1 ARG 89 -3.757 -19.232 1.495 701 HH21 ARG 89 1HH2 ARG 89 -5.560 -16.291 0.797 702 HH22 ARG 89 2HH2 ARG 89 -5.625 -17.889 1.486 703 HA PRO 90 HA PRO 90 4.160 -12.508 1.772 704 HB2 PRO 90 2HB PRO 90 3.445 -12.739 4.360 705 HB3 PRO 90 1HB PRO 90 2.958 -11.363 3.363 706 HG2 PRO 90 2HG PRO 90 1.393 -13.798 4.126 707 HG3 PRO 90 1HG PRO 90 0.871 -12.104 4.071 708 HD2 PRO 90 2HD PRO 90 0.328 -13.913 2.101 709 HD3 PRO 90 1HD PRO 90 0.485 -12.170 1.813 710 H SER 91 HN SER 91 5.863 -13.595 2.724 711 HA SER 91 HA SER 91 5.535 -16.486 2.988 712 HB2 SER 91 2HB SER 91 8.064 -16.457 2.961 713 HB3 SER 91 1HB SER 91 7.300 -15.864 1.489 714 HG SER 91 HG SER 91 8.902 -14.436 2.037 715 H ALA 92 HN ALA 92 7.504 -17.213 4.674 716 HA ALA 92 HA ALA 92 6.334 -16.821 7.187 717 HB1 ALA 92 1HB ALA 92 8.243 -18.035 8.086 718 HB2 ALA 92 2HB ALA 92 9.114 -17.815 6.569 719 HB3 ALA 92 3HB ALA 92 7.654 -18.804 6.612 720 H GLU 93 HN GLU 93 9.326 -15.454 5.814 721 HA GLU 93 HA GLU 93 10.016 -13.986 8.139 722 HB2 GLU 93 2HB GLU 93 10.833 -13.305 5.313 723 HB3 GLU 93 1HB GLU 93 11.679 -12.891 6.796 724 HG2 GLU 93 2HG GLU 93 12.958 -14.637 6.155 725 HG3 GLU 93 1HG GLU 93 11.726 -15.536 7.040 726 H ASP 94 HN ASP 94 8.092 -13.224 5.300 727 HA ASP 94 HA ASP 94 7.930 -10.412 5.757 728 HB2 ASP 94 2HB ASP 94 7.467 -11.762 3.584 729 HB3 ASP 94 1HB ASP 94 5.863 -12.014 4.258 730 H LYS 95 HN LYS 95 6.082 -13.203 6.711 731 HA LYS 95 HA LYS 95 3.839 -11.851 7.802 732 HB2 LYS 95 2HB LYS 95 3.869 -14.227 7.071 733 HB3 LYS 95 1HB LYS 95 4.928 -14.610 8.416 734 HG2 LYS 95 2HG LYS 95 2.264 -13.371 8.941 735 HG3 LYS 95 1HG LYS 95 2.377 -15.088 8.563 736 HD2 LYS 95 2HD LYS 95 3.765 -13.654 10.829 737 HD3 LYS 95 1HD LYS 95 2.382 -14.739 10.971 738 HE2 LYS 95 2HE LYS 95 3.783 -16.562 10.033 739 HE3 LYS 95 1HE LYS 95 5.160 -15.463 10.042 740 HZ1 LYS 95 3HZ LYS 95 4.818 -15.226 12.476 741 HZ2 LYS 95 1HZ LYS 95 5.248 -16.797 11.999 742 HZ3 LYS 95 2HZ LYS 95 3.641 -16.443 12.395 743 H ARG 96 HN ARG 96 6.985 -12.727 9.079 744 HA ARG 96 HA ARG 96 6.210 -12.488 11.829 745 HB2 ARG 96 2HB ARG 96 8.969 -12.567 10.606 746 HB3 ARG 96 1HB ARG 96 8.611 -12.703 12.321 747 HG2 ARG 96 2HG ARG 96 7.246 -14.736 11.773 748 HG3 ARG 96 1HG ARG 96 7.899 -14.638 10.138 749 HD2 ARG 96 2HD ARG 96 9.232 -16.197 11.351 750 HD3 ARG 96 1HD ARG 96 10.192 -14.733 11.135 751 HE ARG 96 HE ARG 96 9.457 -14.170 13.487 752 HH11 ARG 96 1HH1 ARG 96 9.876 -17.451 12.336 753 HH12 ARG 96 2HH1 ARG 96 10.083 -18.126 13.925 754 HH21 ARG 96 1HH2 ARG 96 9.711 -15.055 15.593 755 HH22 ARG 96 2HH2 ARG 96 9.980 -16.765 15.778 756 H LEU 97 HN LEU 97 7.075 -10.252 9.411 757 HA LEU 97 HA LEU 97 8.306 -8.321 11.149 758 HB2 LEU 97 2HB LEU 97 7.320 -8.102 8.310 759 HB3 LEU 97 1HB LEU 97 8.219 -6.860 9.154 760 HG LEU 97 HG LEU 97 9.241 -9.618 8.483 761 HD11 LEU 97 1HD1 LEU 97 10.692 -8.469 6.913 762 HD12 LEU 97 2HD1 LEU 97 9.964 -6.923 7.347 763 HD13 LEU 97 3HD1 LEU 97 8.998 -8.156 6.535 764 HD21 LEU 97 3HD2 LEU 97 11.395 -8.800 9.285 765 HD22 LEU 97 1HD2 LEU 97 10.189 -8.760 10.571 766 HD23 LEU 97 2HD2 LEU 97 10.652 -7.270 9.750 767 H ALA 98 HN ALA 98 5.144 -9.243 10.728 768 HA ALA 98 HA ALA 98 3.997 -6.581 10.834 769 HB1 ALA 98 1HB ALA 98 1.846 -7.695 10.735 770 HB2 ALA 98 2HB ALA 98 2.628 -9.264 10.935 771 HB3 ALA 98 3HB ALA 98 2.918 -8.313 9.478 772 H PHE 99 HN PHE 99 4.551 -5.717 12.769 773 HA PHE 99 HA PHE 99 3.631 -7.077 15.207 774 HB2 PHE 99 2HB PHE 99 5.332 -4.587 14.904 775 HB3 PHE 99 1HB PHE 99 4.942 -5.392 16.419 776 HD1 PHE 99 2HD PHE 99 5.811 -7.728 16.803 777 HD2 PHE 99 1HD PHE 99 7.162 -5.261 13.609 778 HE1 PHE 99 2HE PHE 99 7.820 -9.129 16.577 779 HE2 PHE 99 1HE PHE 99 9.174 -6.659 13.378 780 HZ PHE 99 HZ PHE 99 9.504 -8.598 14.864 781 H ASP 100 HN ASP 100 1.994 -5.696 13.105 782 HA ASP 100 HA ASP 100 1.003 -3.312 14.484 783 HB2 ASP 100 2HB ASP 100 -0.055 -2.744 12.428 784 HB3 ASP 100 1HB ASP 100 1.545 -3.350 11.997 785 HA PRO 101 HA PRO 101 -2.817 -5.445 15.428 786 HB2 PRO 101 2HB PRO 101 -4.269 -3.305 16.216 787 HB3 PRO 101 1HB PRO 101 -2.977 -4.008 17.192 788 HG2 PRO 101 2HG PRO 101 -3.033 -1.470 15.716 789 HG3 PRO 101 1HG PRO 101 -1.989 -1.970 17.052 790 HD2 PRO 101 2HD PRO 101 -1.388 -1.925 14.240 791 HD3 PRO 101 1HD PRO 101 -0.327 -2.394 15.582 792 H SER 102 HN SER 102 -2.883 -2.656 13.182 793 HA SER 102 HA SER 102 -5.179 -3.847 11.831 794 HB2 SER 102 2HB SER 102 -5.250 -1.070 13.028 795 HB3 SER 102 1HB SER 102 -6.483 -1.749 11.966 796 HG SER 102 HG SER 102 -7.079 -1.999 14.145 797 H LEU 103 HN LEU 103 -2.350 -3.227 11.019 798 HA LEU 103 HA LEU 103 -2.761 -1.068 9.087 799 HB2 LEU 103 2HB LEU 103 -0.327 -2.693 9.808 800 HB3 LEU 103 1HB LEU 103 -0.353 -1.544 8.485 801 HG LEU 103 HG LEU 103 -0.791 -0.883 11.400 802 HD11 LEU 103 1HD1 LEU 103 1.517 -0.295 9.553 803 HD12 LEU 103 2HD1 LEU 103 1.523 -1.442 10.893 804 HD13 LEU 103 3HD1 LEU 103 1.347 0.285 11.208 805 HD21 LEU 103 3HD2 LEU 103 -2.098 0.580 9.968 806 HD22 LEU 103 1HD2 LEU 103 -0.680 0.900 8.969 807 HD23 LEU 103 2HD2 LEU 103 -0.724 1.454 10.643 808 H SER 104 HN SER 104 -2.575 -1.338 6.851 809 HA SER 104 HA SER 104 -3.285 -4.035 5.951 810 HB2 SER 104 2HB SER 104 -3.546 -1.399 4.488 811 HB3 SER 104 1HB SER 104 -4.218 -2.950 3.984 812 HG SER 104 HG SER 104 -4.894 -2.170 6.534 813 H TYR 105 HN TYR 105 -1.951 -5.217 4.740 814 HA TYR 105 HA TYR 105 0.424 -3.910 3.582 815 HB2 TYR 105 2HB TYR 105 0.080 -6.797 4.437 816 HB3 TYR 105 1HB TYR 105 1.536 -6.107 3.730 817 HD1 TYR 105 1HD TYR 105 -0.734 -5.754 6.659 818 HD2 TYR 105 2HD TYR 105 3.192 -5.250 5.114 819 HE1 TYR 105 1HE TYR 105 0.067 -5.178 8.905 820 HE2 TYR 105 2HE TYR 105 4.007 -4.674 7.361 821 HH TYR 105 HH TYR 105 2.003 -5.053 10.181 822 H LEU 106 HN LEU 106 -0.233 -3.470 1.534 823 HA LEU 106 HA LEU 106 -1.807 -5.388 0.057 824 HB2 LEU 106 2HB LEU 106 -0.731 -2.659 -0.548 825 HB3 LEU 106 1HB LEU 106 -1.332 -3.673 -1.844 826 HG LEU 106 HG LEU 106 -3.524 -3.792 -0.698 827 HD11 LEU 106 1HD1 LEU 106 -2.330 -1.748 1.167 828 HD12 LEU 106 2HD1 LEU 106 -2.760 -3.404 1.591 829 HD13 LEU 106 3HD1 LEU 106 -4.017 -2.259 1.124 830 HD21 LEU 106 3HD2 LEU 106 -2.533 -1.000 -1.245 831 HD22 LEU 106 1HD2 LEU 106 -4.216 -1.526 -1.244 832 HD23 LEU 106 2HD2 LEU 106 -3.097 -2.149 -2.457 833 H ILE 107 HN ILE 107 -1.142 -6.761 -1.456 834 HA ILE 107 HA ILE 107 1.682 -6.643 -2.272 835 HB ILE 107 HB ILE 107 0.111 -9.168 -1.707 836 HG12 ILE 107 2HG1 ILE 107 2.467 -7.953 -0.242 837 HG13 ILE 107 1HG1 ILE 107 0.803 -7.963 0.340 838 HG21 ILE 107 1HG2 ILE 107 1.658 -9.459 -3.554 839 HG22 ILE 107 2HG2 ILE 107 2.255 -10.312 -2.129 840 HG23 ILE 107 3HG2 ILE 107 2.967 -8.767 -2.596 841 HD11 ILE 107 3HD1 ILE 107 0.871 -10.426 0.380 842 HD12 ILE 107 1HD1 ILE 107 2.073 -9.689 1.441 843 HD13 ILE 107 2HD1 ILE 107 2.562 -10.364 -0.114 844 H ILE 108 HN ILE 108 1.836 -6.313 -4.359 845 HA ILE 108 HA ILE 108 -0.393 -7.083 -6.103 846 HB ILE 108 HB ILE 108 1.859 -5.121 -6.605 847 HG12 ILE 108 2HG1 ILE 108 -1.073 -4.610 -6.054 848 HG13 ILE 108 1HG1 ILE 108 0.229 -4.370 -4.894 849 HG21 ILE 108 1HG2 ILE 108 0.609 -4.475 -8.590 850 HG22 ILE 108 2HG2 ILE 108 -0.593 -5.721 -8.251 851 HG23 ILE 108 3HG2 ILE 108 1.064 -6.177 -8.650 852 HD11 ILE 108 3HD1 ILE 108 1.207 -2.676 -6.382 853 HD12 ILE 108 1HD1 ILE 108 -0.425 -2.261 -5.857 854 HD13 ILE 108 2HD1 ILE 108 -0.153 -2.884 -7.484 855 H SER 109 HN SER 109 -0.099 -8.571 -7.662 856 HA SER 109 HA SER 109 2.601 -9.687 -7.957 857 HB2 SER 109 2HB SER 109 0.803 -11.245 -7.227 858 HB3 SER 109 1HB SER 109 -0.053 -10.927 -8.736 859 HG SER 109 HG SER 109 2.410 -12.258 -8.329 860 H LEU 110 HN LEU 110 3.679 -8.911 -9.631 861 HA LEU 110 HA LEU 110 2.255 -7.979 -11.995 862 HB2 LEU 110 2HB LEU 110 5.144 -7.827 -11.156 863 HB3 LEU 110 1HB LEU 110 4.604 -7.351 -12.750 864 HG LEU 110 HG LEU 110 4.803 -5.359 -11.505 865 HD11 LEU 110 1HD1 LEU 110 2.793 -5.453 -12.852 866 HD12 LEU 110 2HD1 LEU 110 2.523 -4.504 -11.389 867 HD13 LEU 110 3HD1 LEU 110 1.901 -6.150 -11.499 868 HD21 LEU 110 3HD2 LEU 110 3.745 -4.992 -9.340 869 HD22 LEU 110 1HD2 LEU 110 4.906 -6.317 -9.272 870 HD23 LEU 110 2HD2 LEU 110 3.178 -6.661 -9.330 871 H ALA 111 HN ALA 111 3.065 -10.883 -10.966 872 HA ALA 111 HA ALA 111 4.627 -12.075 -12.960 873 HB1 ALA 111 1HB ALA 111 2.414 -13.321 -11.326 874 HB2 ALA 111 2HB ALA 111 4.104 -13.180 -10.837 875 HB3 ALA 111 3HB ALA 111 3.664 -14.191 -12.212 876 H GLU 112 HN GLU 112 1.219 -11.338 -12.781 877 HA GLU 112 HA GLU 112 0.906 -12.139 -15.581 878 HB2 GLU 112 2HB GLU 112 -1.596 -12.242 -14.859 879 HB3 GLU 112 1HB GLU 112 -0.533 -13.588 -14.487 880 HG2 GLU 112 2HG GLU 112 -0.211 -12.507 -12.213 881 HG3 GLU 112 1HG GLU 112 -1.557 -11.454 -12.637 882 HA PRO 113 HA PRO 113 0.608 -7.571 -15.325 883 HB2 PRO 113 2HB PRO 113 1.582 -7.647 -18.079 884 HB3 PRO 113 1HB PRO 113 2.311 -6.905 -16.655 885 HG2 PRO 113 2HG PRO 113 3.356 -9.095 -17.833 886 HG3 PRO 113 1HG PRO 113 3.466 -8.813 -16.087 887 HD2 PRO 113 2HD PRO 113 1.587 -10.586 -17.602 888 HD3 PRO 113 1HD PRO 113 2.457 -10.903 -16.084 889 H GLN 114 HN GLN 114 -0.971 -9.836 -17.229 890 HA GLN 114 HA GLN 114 -2.391 -8.093 -18.992 891 HB2 GLN 114 2HB GLN 114 -3.262 -10.825 -18.051 892 HB3 GLN 114 1HB GLN 114 -3.739 -10.002 -19.528 893 HG2 GLN 114 2HG GLN 114 -1.429 -10.160 -20.341 894 HG3 GLN 114 1HG GLN 114 -0.996 -11.044 -18.878 895 HE21 GLN 114 1HE2 GLN 114 -1.824 -13.138 -18.572 896 HE22 GLN 114 2HE2 GLN 114 -2.417 -14.071 -19.902 897 H LYS 115 HN LYS 115 -2.797 -9.302 -15.783 898 HA LYS 115 HA LYS 115 -4.642 -7.246 -15.095 899 HB2 LYS 115 2HB LYS 115 -6.162 -8.921 -16.165 900 HB3 LYS 115 1HB LYS 115 -5.649 -10.100 -14.970 901 HG2 LYS 115 2HG LYS 115 -6.623 -8.790 -13.195 902 HG3 LYS 115 1HG LYS 115 -7.034 -7.503 -14.330 903 HD2 LYS 115 2HD LYS 115 -8.524 -9.029 -15.528 904 HD3 LYS 115 1HD LYS 115 -8.103 -10.325 -14.405 905 HE2 LYS 115 2HE LYS 115 -9.084 -9.106 -12.571 906 HE3 LYS 115 1HE LYS 115 -9.389 -7.715 -13.610 907 HZ1 LYS 115 3HZ LYS 115 -10.626 -10.402 -13.897 908 HZ2 LYS 115 1HZ LYS 115 -10.902 -9.080 -14.921 909 HZ3 LYS 115 2HZ LYS 115 -11.391 -9.014 -13.300 910 HA PRO 116 HA PRO 116 -1.490 -8.776 -12.067 911 HB2 PRO 116 2HB PRO 116 -1.269 -6.303 -10.849 912 HB3 PRO 116 1HB PRO 116 -0.283 -6.848 -12.210 913 HG2 PRO 116 2HG PRO 116 -2.717 -5.115 -12.207 914 HG3 PRO 116 1HG PRO 116 -1.231 -4.962 -13.162 915 HD2 PRO 116 2HD PRO 116 -3.470 -5.952 -14.236 916 HD3 PRO 116 1HD PRO 116 -1.876 -6.608 -14.664 917 H VAL 117 HN VAL 117 -2.163 -9.834 -10.303 918 HA VAL 117 HA VAL 117 -4.664 -9.212 -9.067 919 HB VAL 117 HB VAL 117 -2.479 -11.076 -8.110 920 HG11 VAL 117 1HG1 VAL 117 -4.256 -12.150 -6.808 921 HG12 VAL 117 2HG1 VAL 117 -5.406 -10.940 -7.371 922 HG13 VAL 117 3HG1 VAL 117 -4.063 -10.462 -6.334 923 HG21 VAL 117 3HG2 VAL 117 -4.941 -11.627 -9.762 924 HG22 VAL 117 1HG2 VAL 117 -3.830 -12.846 -9.138 925 HG23 VAL 117 2HG2 VAL 117 -3.274 -11.677 -10.336 926 H CYS 118 HN CYS 118 -4.978 -7.664 -7.658 927 HA CYS 118 HA CYS 118 -2.793 -6.926 -5.835 928 HB2 CYS 118 2HB CYS 118 -5.056 -5.153 -6.779 929 HB3 CYS 118 1HB CYS 118 -3.673 -4.671 -5.798 930 HG CYS 118 HG CYS 118 -3.355 -5.837 -8.996 931 H LYS 119 HN LYS 119 -3.192 -7.362 -3.737 932 HA LYS 119 HA LYS 119 -5.947 -7.094 -2.786 933 HB2 LYS 119 2HB LYS 119 -4.217 -9.508 -2.369 934 HB3 LYS 119 1HB LYS 119 -5.469 -9.083 -1.224 935 HG2 LYS 119 2HG LYS 119 -7.145 -9.258 -2.995 936 HG3 LYS 119 1HG LYS 119 -5.880 -9.717 -4.139 937 HD2 LYS 119 2HD LYS 119 -5.425 -11.730 -2.955 938 HD3 LYS 119 1HD LYS 119 -6.422 -11.229 -1.590 939 HE2 LYS 119 2HE LYS 119 -7.472 -11.742 -4.368 940 HE3 LYS 119 1HE LYS 119 -7.481 -12.936 -3.071 941 HZ1 LYS 119 3HZ LYS 119 -8.929 -10.335 -3.116 942 HZ2 LYS 119 1HZ LYS 119 -8.841 -11.355 -1.765 943 HZ3 LYS 119 2HZ LYS 119 -9.610 -11.885 -3.172 944 H SER 120 HN SER 120 -6.061 -7.036 -0.447 945 HA SER 120 HA SER 120 -3.686 -5.770 0.735 946 HB2 SER 120 2HB SER 120 -5.709 -4.305 0.585 947 HB3 SER 120 1HB SER 120 -6.584 -5.477 1.567 948 HG SER 120 HG SER 120 -5.862 -4.096 3.053 949 H PHE 121 HN PHE 121 -2.729 -6.915 2.293 950 HA PHE 121 HA PHE 121 -4.249 -9.176 3.403 951 HB2 PHE 121 2HB PHE 121 -1.287 -8.907 2.890 952 HB3 PHE 121 1HB PHE 121 -2.023 -10.256 3.747 953 HD1 PHE 121 2HD PHE 121 -3.497 -11.823 2.563 954 HD2 PHE 121 1HD PHE 121 -1.413 -8.729 0.513 955 HE1 PHE 121 2HE PHE 121 -3.918 -12.960 0.425 956 HE2 PHE 121 1HE PHE 121 -1.830 -9.864 -1.629 957 HZ PHE 121 HZ PHE 121 -3.085 -11.982 -1.673 958 H LEU 122 HN LEU 122 -4.593 -9.245 5.471 959 HA LEU 122 HA LEU 122 -3.140 -7.408 7.231 960 HB2 LEU 122 2HB LEU 122 -5.588 -9.100 7.776 961 HB3 LEU 122 1HB LEU 122 -4.901 -7.910 8.863 962 HG LEU 122 HG LEU 122 -6.174 -7.323 6.188 963 HD11 LEU 122 1HD1 LEU 122 -7.780 -8.000 7.906 964 HD12 LEU 122 2HD1 LEU 122 -7.947 -6.295 7.488 965 HD13 LEU 122 3HD1 LEU 122 -7.141 -6.759 8.987 966 HD21 LEU 122 3HD2 LEU 122 -5.955 -4.973 6.823 967 HD22 LEU 122 1HD2 LEU 122 -4.378 -5.755 6.701 968 HD23 LEU 122 2HD2 LEU 122 -5.089 -5.447 8.286 969 H ILE 123 HN ILE 123 -1.284 -8.340 7.889 970 HA ILE 123 HA ILE 123 -1.261 -11.191 8.465 971 HB ILE 123 HB ILE 123 0.996 -9.177 8.557 972 HG12 ILE 123 2HG1 ILE 123 1.839 -10.681 6.637 973 HG13 ILE 123 1HG1 ILE 123 0.191 -11.285 6.549 974 HG21 ILE 123 1HG2 ILE 123 1.034 -12.158 8.974 975 HG22 ILE 123 2HG2 ILE 123 1.367 -10.918 10.185 976 HG23 ILE 123 3HG2 ILE 123 2.463 -11.137 8.819 977 HD11 ILE 123 3HD1 ILE 123 -0.610 -9.028 6.070 978 HD12 ILE 123 1HD1 ILE 123 0.589 -9.564 4.893 979 HD13 ILE 123 2HD1 ILE 123 1.046 -8.426 6.159 980 H LYS 124 HN LYS 124 -1.650 -11.952 10.401 981 HA LYS 124 HA LYS 124 -1.407 -10.125 12.688 982 HB2 LYS 124 2HB LYS 124 -3.703 -11.944 11.952 983 HB3 LYS 124 1HB LYS 124 -3.522 -11.220 13.547 984 HG2 LYS 124 2HG LYS 124 -3.664 -9.634 10.991 985 HG3 LYS 124 1HG LYS 124 -5.058 -9.988 12.013 986 HD2 LYS 124 2HD LYS 124 -4.424 -8.519 13.616 987 HD3 LYS 124 1HD LYS 124 -2.706 -8.835 13.371 988 HE2 LYS 124 2HE LYS 124 -4.056 -7.486 11.137 989 HE3 LYS 124 1HE LYS 124 -3.976 -6.553 12.632 990 HZ1 LYS 124 3HZ LYS 124 -2.049 -6.107 11.260 991 HZ2 LYS 124 1HZ LYS 124 -1.662 -7.760 11.203 992 HZ3 LYS 124 2HZ LYS 124 -1.574 -6.918 12.667 993 H LYS 125 HN LYS 125 -2.304 -11.925 14.616 994 HA LYS 125 HA LYS 125 0.085 -13.228 15.243 995 HB2 LYS 125 2HB LYS 125 -1.983 -12.442 16.691 996 HB3 LYS 125 1HB LYS 125 -2.481 -14.114 16.474 997 HG2 LYS 125 2HG LYS 125 -1.264 -13.817 18.559 998 HG3 LYS 125 1HG LYS 125 -0.385 -14.879 17.455 999 HD2 LYS 125 2HD LYS 125 1.080 -13.066 16.816 1000 HD3 LYS 125 1HD LYS 125 0.154 -11.930 17.796 1001 HE2 LYS 125 2HE LYS 125 0.777 -13.175 19.809 1002 HE3 LYS 125 1HE LYS 125 1.711 -14.300 18.821 1003 HZ1 LYS 125 3HZ LYS 125 2.225 -11.379 19.020 1004 HZ2 LYS 125 1HZ LYS 125 3.154 -12.506 18.157 1005 HZ3 LYS 125 2HZ LYS 125 3.094 -12.580 19.850 1006 H ASP 126 HN ASP 126 -3.029 -14.586 14.217 1007 HA ASP 126 HA ASP 126 -2.042 -17.276 14.269 1008 HB2 ASP 126 2HB ASP 126 -4.602 -16.050 13.267 1009 HB3 ASP 126 1HB ASP 126 -4.254 -17.766 13.080 1010 H GLY 127 HN GLY 127 -2.582 -14.890 11.735 1011 HA2 GLY 127 2HA GLY 127 -0.721 -15.961 9.968 1012 HA3 GLY 127 1HA GLY 127 -2.279 -16.665 9.559 1013 H VAL 128 HN VAL 128 -2.448 -15.652 7.579 1014 HA VAL 128 HA VAL 128 -2.613 -12.719 7.668 1015 HB VAL 128 HB VAL 128 -0.776 -13.460 6.264 1016 HG11 VAL 128 1HG1 VAL 128 -2.843 -14.970 4.670 1017 HG12 VAL 128 2HG1 VAL 128 -1.573 -15.682 5.667 1018 HG13 VAL 128 3HG1 VAL 128 -1.150 -14.759 4.224 1019 HG21 VAL 128 3HG2 VAL 128 -1.411 -12.323 4.174 1020 HG22 VAL 128 1HG2 VAL 128 -1.935 -11.439 5.608 1021 HG23 VAL 128 2HG2 VAL 128 -3.100 -12.379 4.678 1022 H ASP 129 HN ASP 129 -4.463 -11.773 7.153 1023 HA ASP 129 HA ASP 129 -6.602 -13.413 5.957 1024 HB2 ASP 129 2HB ASP 129 -7.077 -12.605 8.243 1025 HB3 ASP 129 1HB ASP 129 -6.819 -10.951 7.706 1026 H GLU 130 HN GLU 130 -7.298 -12.819 3.965 1027 HA GLU 130 HA GLU 130 -6.130 -10.428 2.827 1028 HB2 GLU 130 2HB GLU 130 -7.205 -11.401 0.694 1029 HB3 GLU 130 1HB GLU 130 -5.797 -12.190 1.378 1030 HG2 GLU 130 2HG GLU 130 -7.304 -13.826 2.461 1031 HG3 GLU 130 1HG GLU 130 -8.666 -13.059 1.642 1032 H GLU 131 HN GLU 131 -7.110 -8.633 2.549 1033 HA GLU 131 HA GLU 131 -9.933 -8.355 3.172 1034 HB2 GLU 131 2HB GLU 131 -8.385 -6.823 4.226 1035 HB3 GLU 131 1HB GLU 131 -7.707 -6.369 2.674 1036 HG2 GLU 131 2HG GLU 131 -9.110 -4.613 3.479 1037 HG3 GLU 131 1HG GLU 131 -9.855 -5.345 2.061 1038 H GLU 132 HN GLU 132 -11.435 -7.369 1.774 1039 HA GLU 132 HA GLU 132 -11.040 -8.124 -0.974 1040 HB2 GLU 132 2HB GLU 132 -13.187 -8.446 0.285 1041 HB3 GLU 132 1HB GLU 132 -13.407 -6.703 0.247 1042 HG2 GLU 132 2HG GLU 132 -14.677 -7.883 -1.493 1043 HG3 GLU 132 1HG GLU 132 -13.535 -6.708 -2.146 1044 H ILE 133 HN ILE 133 -10.943 -6.822 -2.744 1045 HA ILE 133 HA ILE 133 -10.025 -4.092 -2.225 1046 HB ILE 133 HB ILE 133 -9.841 -5.737 -4.757 1047 HG12 ILE 133 2HG1 ILE 133 -8.509 -6.666 -2.885 1048 HG13 ILE 133 1HG1 ILE 133 -7.498 -6.068 -4.195 1049 HG21 ILE 133 1HG2 ILE 133 -9.823 -3.358 -5.221 1050 HG22 ILE 133 2HG2 ILE 133 -8.214 -4.034 -5.477 1051 HG23 ILE 133 3HG2 ILE 133 -8.558 -3.109 -4.016 1052 HD11 ILE 133 3HD1 ILE 133 -8.071 -4.634 -1.609 1053 HD12 ILE 133 1HD1 ILE 133 -7.050 -4.038 -2.919 1054 HD13 ILE 133 2HD1 ILE 133 -6.581 -5.484 -2.024 1055 H ILE 134 HN ILE 134 -11.432 -2.500 -2.442 1056 HA ILE 134 HA ILE 134 -13.580 -2.775 -4.433 1057 HB ILE 134 HB ILE 134 -13.382 -0.841 -2.114 1058 HG12 ILE 134 2HG1 ILE 134 -13.787 -3.130 -1.363 1059 HG13 ILE 134 1HG1 ILE 134 -15.227 -2.147 -1.137 1060 HG21 ILE 134 1HG2 ILE 134 -14.601 0.149 -3.942 1061 HG22 ILE 134 2HG2 ILE 134 -15.731 -0.303 -2.665 1062 HG23 ILE 134 3HG2 ILE 134 -15.590 -1.301 -4.111 1063 HD11 ILE 134 3HD1 ILE 134 -16.192 -3.122 -3.173 1064 HD12 ILE 134 1HD1 ILE 134 -15.803 -4.346 -1.963 1065 HD13 ILE 134 2HD1 ILE 134 -14.751 -4.122 -3.359 1066 H LEU 135 HN LEU 135 -13.201 -1.778 -6.303 1067 HA LEU 135 HA LEU 135 -11.176 0.313 -6.405 1068 HB2 LEU 135 2HB LEU 135 -12.702 -1.080 -8.608 1069 HB3 LEU 135 1HB LEU 135 -11.467 0.135 -8.868 1070 HG LEU 135 HG LEU 135 -11.071 -2.604 -7.667 1071 HD11 LEU 135 1HD1 LEU 135 -10.083 -1.361 -10.230 1072 HD12 LEU 135 2HD1 LEU 135 -11.339 -2.592 -10.089 1073 HD13 LEU 135 3HD1 LEU 135 -9.677 -2.973 -9.639 1074 HD21 LEU 135 3HD2 LEU 135 -8.697 -2.035 -7.581 1075 HD22 LEU 135 1HD2 LEU 135 -9.649 -0.974 -6.542 1076 HD23 LEU 135 2HD2 LEU 135 -9.067 -0.392 -8.103 1077 H LYS 136 HN LYS 136 -11.798 2.271 -5.968 1078 HA LYS 136 HA LYS 136 -14.489 3.202 -6.314 1079 HB2 LYS 136 2HB LYS 136 -12.659 3.917 -4.586 1080 HB3 LYS 136 1HB LYS 136 -12.129 5.000 -5.856 1081 HG2 LYS 136 2HG LYS 136 -14.298 6.071 -5.878 1082 HG3 LYS 136 1HG LYS 136 -14.889 4.938 -4.662 1083 HD2 LYS 136 2HD LYS 136 -13.119 5.768 -3.121 1084 HD3 LYS 136 1HD LYS 136 -12.702 6.986 -4.327 1085 HE2 LYS 136 2HE LYS 136 -15.382 6.670 -2.981 1086 HE3 LYS 136 1HE LYS 136 -14.173 7.890 -2.592 1087 HZ1 LYS 136 3HZ LYS 136 -14.410 8.763 -4.853 1088 HZ2 LYS 136 1HZ LYS 136 -15.876 8.807 -4.003 1089 HZ3 LYS 136 2HZ LYS 136 -15.613 7.614 -5.177 1090 H GLU 137 HN GLU 137 -15.188 4.796 -7.782 1091 HA GLU 137 HA GLU 137 -14.244 4.450 -10.400 1092 HB2 GLU 137 2HB GLU 137 -16.032 6.581 -9.244 1093 HB3 GLU 137 1HB GLU 137 -15.825 6.262 -10.952 1094 HG2 GLU 137 2HG GLU 137 -17.029 4.432 -8.899 1095 HG3 GLU 137 1HG GLU 137 -17.867 5.264 -10.208 1096 H GLU 138 HN GLU 138 -13.559 6.736 -7.967 1097 HA GLU 138 HA GLU 138 -11.146 7.652 -8.966 1098 HB2 GLU 138 2HB GLU 138 -13.035 8.730 -10.566 1099 HB3 GLU 138 1HB GLU 138 -13.030 9.933 -9.284 1100 HG2 GLU 138 2HG GLU 138 -10.667 10.322 -9.606 1101 HG3 GLU 138 1HG GLU 138 -10.595 9.036 -10.807 1102 H LEU 139 HN LEU 139 -11.176 10.310 -7.928 1103 HA LEU 139 HA LEU 139 -10.814 9.678 -5.213 1104 HB2 LEU 139 2HB LEU 139 -10.986 12.365 -6.574 1105 HB3 LEU 139 1HB LEU 139 -10.471 12.125 -4.915 1106 HG LEU 139 HG LEU 139 -9.063 11.092 -7.379 1107 HD11 LEU 139 1HD1 LEU 139 -8.821 13.493 -7.054 1108 HD12 LEU 139 2HD1 LEU 139 -7.303 12.657 -6.724 1109 HD13 LEU 139 3HD1 LEU 139 -8.307 13.226 -5.390 1110 HD21 LEU 139 3HD2 LEU 139 -7.317 10.357 -5.821 1111 HD22 LEU 139 1HD2 LEU 139 -8.845 9.524 -5.528 1112 HD23 LEU 139 2HD2 LEU 139 -8.335 10.834 -4.462 1113 H GLU 140 HN GLU 140 -11.784 11.148 -3.441 1114 HA GLU 140 HA GLU 140 -14.513 10.382 -3.288 1115 HB2 GLU 140 2HB GLU 140 -12.491 11.350 -1.491 1116 HB3 GLU 140 1HB GLU 140 -13.994 12.229 -1.227 1117 HG2 GLU 140 2HG GLU 140 -13.651 9.239 -1.196 1118 HG3 GLU 140 1HG GLU 140 -13.864 10.285 0.209 1119 H HIS 141 HN HIS 141 -16.337 11.483 -3.525 1120 HA HIS 141 HA HIS 141 -16.197 14.115 -4.758 1121 HB2 HIS 141 2HB HIS 141 -17.691 12.176 -5.552 1122 HB3 HIS 141 1HB HIS 141 -18.700 12.529 -4.156 1123 HD1 HIS 141 1HD HIS 141 -20.543 14.127 -4.590 1124 HD2 HIS 141 2HD HIS 141 -17.412 14.582 -7.292 1125 HE1 HIS 141 1HE HIS 141 -21.328 15.837 -6.258 1126 HE2 HIS 141 2HE HIS 141 -19.503 15.930 -7.988 1127 H HIS 142 HN HIS 142 -15.279 14.363 -2.319 1128 HA HIS 142 HA HIS 142 -17.081 14.673 -0.198 1129 HB2 HIS 142 2HB HIS 142 -15.240 16.237 0.725 1130 HB3 HIS 142 1HB HIS 142 -14.858 14.540 0.471 1131 HD1 HIS 142 1HD HIS 142 -14.255 17.941 -1.120 1132 HD2 HIS 142 2HD HIS 142 -12.765 14.060 -1.214 1133 HE1 HIS 142 1HE HIS 142 -12.146 18.053 -2.480 1134 HE2 HIS 142 2HE HIS 142 -11.157 15.743 -2.320 1135 H HIS 143 HN HIS 143 -18.419 16.208 0.419 1136 HA HIS 143 HA HIS 143 -19.324 18.167 -1.340 1137 HB2 HIS 143 2HB HIS 143 -20.675 17.190 0.489 1138 HB3 HIS 143 1HB HIS 143 -19.693 18.061 1.662 1139 HD1 HIS 143 1HD HIS 143 -21.200 19.796 2.588 1140 HD2 HIS 143 2HD HIS 143 -21.485 19.533 -1.552 1141 HE1 HIS 143 1HE HIS 143 -22.742 21.658 1.894 1142 HE2 HIS 143 2HE HIS 143 -22.775 21.573 -0.625 1143 H HIS 144 HN HIS 144 -17.073 18.421 1.387 1144 HA HIS 144 HA HIS 144 -16.653 21.214 1.214 1145 HB2 HIS 144 2HB HIS 144 -14.851 18.977 2.162 1146 HB3 HIS 144 1HB HIS 144 -14.385 20.670 2.237 1147 HD1 HIS 144 1HD HIS 144 -14.691 18.866 4.766 1148 HD2 HIS 144 2HD HIS 144 -17.586 21.470 3.297 1149 HE1 HIS 144 1HE HIS 144 -16.167 19.415 6.724 1150 HE2 HIS 144 2HE HIS 144 -17.730 21.197 5.868 1151 H HIS 145 HN HIS 145 -16.091 22.210 -0.605 1152 HA HIS 145 HA HIS 145 -14.313 20.802 -2.477 1153 HB2 HIS 145 2HB HIS 145 -16.499 21.388 -3.404 1154 HB3 HIS 145 1HB HIS 145 -16.253 23.076 -2.968 1155 HD1 HIS 145 1HD HIS 145 -14.918 20.444 -5.331 1156 HD2 HIS 145 2HD HIS 145 -14.860 24.567 -4.814 1157 HE1 HIS 145 1HE HIS 145 -13.885 21.372 -7.425 1158 HE2 HIS 145 2HE HIS 145 -14.026 23.879 -7.167 1159 H HIS 146 HN HIS 146 -12.388 21.587 -2.988 1160 HA HIS 146 HA HIS 146 -10.571 22.910 -3.171 1161 HB2 HIS 146 2HB HIS 146 -12.094 24.519 -4.244 1162 HB3 HIS 146 1HB HIS 146 -12.488 25.198 -2.668 1163 HD1 HIS 146 1HD HIS 146 -11.232 27.241 -2.144 1164 HD2 HIS 146 2HD HIS 146 -9.121 24.758 -4.722 1165 HE1 HIS 146 1HE HIS 146 -9.111 28.475 -2.683 1166 HE2 HIS 146 2HE HIS 146 -7.967 27.055 -4.427 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -14.330 -2.088 4.491 2 H2 MET 1 H2 MET 1 -13.273 -3.099 5.346 3 H3 MET 1 H3 MET 1 -14.581 -3.762 4.500 4 HA MET 1 HA MET 1 -12.468 -4.086 3.352 5 HB2 MET 1 2HB MET 1 -13.278 -3.540 1.189 6 HB3 MET 1 1HB MET 1 -14.703 -3.856 2.166 7 HG2 MET 1 2HG MET 1 -13.627 -1.132 1.465 8 HG3 MET 1 1HG MET 1 -14.990 -1.931 0.686 9 HE1 MET 1 2HE MET 1 -16.616 1.010 2.741 10 HE2 MET 1 3HE MET 1 -16.480 0.269 1.144 11 HE3 MET 1 1HE MET 1 -15.067 1.007 1.899 12 H ILE 2 HN ILE 2 -11.197 -2.789 1.544 13 HA ILE 2 HA ILE 2 -10.591 -0.088 2.549 14 HB ILE 2 HB ILE 2 -8.684 -1.500 3.047 15 HG12 ILE 2 2HG1 ILE 2 -8.092 0.219 0.634 16 HG13 ILE 2 1HG1 ILE 2 -8.310 0.831 2.266 17 HG21 ILE 2 1HG2 ILE 2 -7.415 -2.625 1.263 18 HG22 ILE 2 2HG2 ILE 2 -8.691 -2.206 0.120 19 HG23 ILE 2 3HG2 ILE 2 -9.035 -3.290 1.469 20 HD11 ILE 2 3HD1 ILE 2 -6.363 -0.456 2.999 21 HD12 ILE 2 1HD1 ILE 2 -5.966 0.689 1.718 22 HD13 ILE 2 2HD1 ILE 2 -6.133 -1.026 1.346 23 H THR 3 HN THR 3 -10.567 1.522 1.025 24 HA THR 3 HA THR 3 -11.230 0.658 -1.712 25 HB THR 3 HB THR 3 -12.383 3.029 -0.233 26 HG1 THR 3 1HG THR 3 -13.191 0.372 -0.571 27 HG21 THR 3 3HG2 THR 3 -13.054 1.845 -2.932 28 HG22 THR 3 1HG2 THR 3 -12.243 3.385 -2.649 29 HG23 THR 3 2HG2 THR 3 -13.919 3.165 -2.145 30 H LEU 4 HN LEU 4 -10.004 1.425 -3.258 31 HA LEU 4 HA LEU 4 -8.769 4.055 -2.982 32 HB2 LEU 4 2HB LEU 4 -6.699 3.138 -4.119 33 HB3 LEU 4 1HB LEU 4 -6.904 2.747 -2.429 34 HG LEU 4 HG LEU 4 -7.834 0.767 -4.466 35 HD11 LEU 4 1HD1 LEU 4 -4.960 1.136 -3.618 36 HD12 LEU 4 2HD1 LEU 4 -5.602 1.427 -5.234 37 HD13 LEU 4 3HD1 LEU 4 -5.597 -0.206 -4.568 38 HD21 LEU 4 3HD2 LEU 4 -7.097 -0.804 -2.720 39 HD22 LEU 4 1HD2 LEU 4 -8.272 0.360 -2.105 40 HD23 LEU 4 2HD2 LEU 4 -6.560 0.558 -1.737 41 H THR 5 HN THR 5 -7.867 4.736 -5.227 42 HA THR 5 HA THR 5 -10.155 4.316 -6.983 43 HB THR 5 HB THR 5 -9.504 6.296 -8.147 44 HG1 THR 5 1HG THR 5 -7.510 7.342 -7.661 45 HG21 THR 5 3HG2 THR 5 -9.440 7.943 -6.344 46 HG22 THR 5 1HG2 THR 5 -8.984 6.680 -5.201 47 HG23 THR 5 2HG2 THR 5 -10.570 6.640 -5.970 48 H LYS 6 HN LYS 6 -9.836 4.166 -9.293 49 HA LYS 6 HA LYS 6 -8.234 2.120 -10.242 50 HB2 LYS 6 2HB LYS 6 -10.221 3.218 -11.331 51 HB3 LYS 6 1HB LYS 6 -9.178 4.545 -11.780 52 HG2 LYS 6 2HG LYS 6 -8.491 1.768 -12.633 53 HG3 LYS 6 1HG LYS 6 -9.716 2.693 -13.504 54 HD2 LYS 6 2HD LYS 6 -8.005 4.538 -13.703 55 HD3 LYS 6 1HD LYS 6 -6.817 3.388 -13.091 56 HE2 LYS 6 2HE LYS 6 -6.753 3.472 -15.518 57 HE3 LYS 6 1HE LYS 6 -7.304 1.892 -14.962 58 HZ1 LYS 6 3HZ LYS 6 -9.218 4.019 -15.714 59 HZ2 LYS 6 1HZ LYS 6 -9.487 2.348 -15.591 60 HZ3 LYS 6 2HZ LYS 6 -8.559 2.967 -16.869 61 H LYS 7 HN LYS 7 -7.692 5.583 -10.183 62 HA LYS 7 HA LYS 7 -5.263 5.742 -11.530 63 HB2 LYS 7 2HB LYS 7 -6.740 7.424 -9.570 64 HB3 LYS 7 1HB LYS 7 -5.051 7.790 -9.833 65 HG2 LYS 7 2HG LYS 7 -6.435 9.176 -11.240 66 HG3 LYS 7 1HG LYS 7 -5.485 8.068 -12.228 67 HD2 LYS 7 2HD LYS 7 -7.388 6.654 -12.583 68 HD3 LYS 7 1HD LYS 7 -8.348 7.573 -11.420 69 HE2 LYS 7 2HE LYS 7 -8.314 9.511 -12.847 70 HE3 LYS 7 1HE LYS 7 -7.201 8.720 -13.962 71 HZ1 LYS 7 3HZ LYS 7 -9.891 7.622 -13.381 72 HZ2 LYS 7 1HZ LYS 7 -8.862 7.255 -14.678 73 HZ3 LYS 7 2HZ LYS 7 -9.628 8.766 -14.610 74 H GLN 8 HN GLN 8 -5.906 5.274 -8.047 75 HA GLN 8 HA GLN 8 -3.231 5.413 -7.188 76 HB2 GLN 8 2HB GLN 8 -5.457 3.758 -5.966 77 HB3 GLN 8 1HB GLN 8 -3.995 4.293 -5.158 78 HG2 GLN 8 2HG GLN 8 -6.241 6.025 -6.149 79 HG3 GLN 8 1HG GLN 8 -5.855 5.652 -4.475 80 HE21 GLN 8 1HE2 GLN 8 -6.059 8.214 -5.813 81 HE22 GLN 8 2HE2 GLN 8 -4.536 8.998 -5.616 82 H MET 9 HN MET 9 -5.174 2.665 -8.312 83 HA MET 9 HA MET 9 -3.213 0.686 -7.852 84 HB2 MET 9 2HB MET 9 -5.517 0.055 -8.260 85 HB3 MET 9 1HB MET 9 -5.470 0.775 -9.862 86 HG2 MET 9 2HG MET 9 -3.968 -0.887 -10.656 87 HG3 MET 9 1HG MET 9 -3.706 -1.512 -9.030 88 HE1 MET 9 3HE MET 9 -5.398 -2.984 -7.702 89 HE2 MET 9 1HE MET 9 -7.069 -3.241 -8.196 90 HE3 MET 9 2HE MET 9 -6.521 -1.625 -7.752 91 H GLU 10 HN GLU 10 -4.002 2.636 -10.704 92 HA GLU 10 HA GLU 10 -2.064 1.701 -12.463 93 HB2 GLU 10 2HB GLU 10 -3.407 4.372 -12.070 94 HB3 GLU 10 1HB GLU 10 -2.308 4.072 -13.391 95 HG2 GLU 10 2HG GLU 10 -4.806 2.497 -12.871 96 HG3 GLU 10 1HG GLU 10 -4.681 3.837 -14.007 97 H GLU 11 HN GLU 11 -1.908 4.305 -10.057 98 HA GLU 11 HA GLU 11 0.686 5.181 -10.532 99 HB2 GLU 11 2HB GLU 11 -1.183 5.229 -8.202 100 HB3 GLU 11 1HB GLU 11 0.464 5.764 -7.974 101 HG2 GLU 11 2HG GLU 11 0.161 7.402 -9.785 102 HG3 GLU 11 1HG GLU 11 -1.515 6.877 -9.941 103 H MET 12 HN MET 12 -0.484 2.680 -8.280 104 HA MET 12 HA MET 12 2.066 1.976 -7.284 105 HB2 MET 12 2HB MET 12 -0.455 0.318 -7.492 106 HB3 MET 12 1HB MET 12 0.974 -0.153 -6.586 107 HG2 MET 12 2HG MET 12 0.700 1.885 -5.197 108 HG3 MET 12 1HG MET 12 -0.807 2.211 -6.053 109 HE1 MET 12 3HE MET 12 -2.932 0.550 -5.970 110 HE2 MET 12 1HE MET 12 -2.939 -0.952 -5.043 111 HE3 MET 12 2HE MET 12 -1.894 -0.791 -6.454 112 H LEU 13 HN LEU 13 0.146 0.778 -9.988 113 HA LEU 13 HA LEU 13 1.787 -1.363 -10.745 114 HB2 LEU 13 2HB LEU 13 -0.131 0.369 -12.282 115 HB3 LEU 13 1HB LEU 13 0.720 -0.957 -13.040 116 HG LEU 13 HG LEU 13 -1.207 -1.182 -10.728 117 HD11 LEU 13 1HD1 LEU 13 -2.326 -0.711 -12.820 118 HD12 LEU 13 2HD1 LEU 13 -2.597 -2.391 -12.354 119 HD13 LEU 13 3HD1 LEU 13 -1.430 -2.004 -13.618 120 HD21 LEU 13 3HD2 LEU 13 -0.950 -3.594 -10.996 121 HD22 LEU 13 1HD2 LEU 13 0.584 -2.837 -10.570 122 HD23 LEU 13 2HD2 LEU 13 0.278 -3.333 -12.234 123 H ALA 14 HN ALA 14 1.867 2.047 -11.686 124 HA ALA 14 HA ALA 14 3.893 1.787 -13.639 125 HB1 ALA 14 1HB ALA 14 4.150 4.210 -13.435 126 HB2 ALA 14 2HB ALA 14 3.185 4.193 -11.959 127 HB3 ALA 14 3HB ALA 14 2.447 3.753 -13.499 128 H HIS 15 HN HIS 15 4.025 2.607 -10.192 129 HA HIS 15 HA HIS 15 6.838 2.918 -10.096 130 HB2 HIS 15 2HB HIS 15 5.145 3.708 -8.368 131 HB3 HIS 15 1HB HIS 15 5.105 2.049 -7.787 132 HD1 HIS 15 1HD HIS 15 7.208 5.118 -7.806 133 HD2 HIS 15 2HD HIS 15 7.440 1.198 -6.431 134 HE1 HIS 15 1HE HIS 15 9.158 5.070 -6.221 135 HE2 HIS 15 2HE HIS 15 9.110 2.762 -5.215 136 H ALA 16 HN ALA 16 4.692 0.174 -9.745 137 HA ALA 16 HA ALA 16 6.500 -1.733 -8.817 138 HB1 ALA 16 1HB ALA 16 5.013 -3.403 -9.793 139 HB2 ALA 16 2HB ALA 16 4.205 -2.144 -10.726 140 HB3 ALA 16 3HB ALA 16 4.100 -2.142 -8.964 141 H ARG 17 HN ARG 17 5.637 -0.939 -12.183 142 HA ARG 17 HA ARG 17 7.517 -2.669 -13.380 143 HB2 ARG 17 2HB ARG 17 6.258 -0.129 -14.423 144 HB3 ARG 17 1HB ARG 17 7.217 -1.227 -15.403 145 HG2 ARG 17 2HG ARG 17 5.594 -3.020 -14.936 146 HG3 ARG 17 1HG ARG 17 4.611 -1.862 -14.037 147 HD2 ARG 17 2HD ARG 17 5.385 -1.579 -16.936 148 HD3 ARG 17 1HD ARG 17 3.842 -2.215 -16.370 149 HE ARG 17 HE ARG 17 3.299 -0.041 -15.528 150 HH11 ARG 17 1HH1 ARG 17 6.236 -0.142 -17.452 151 HH12 ARG 17 2HH1 ARG 17 6.192 1.552 -17.844 152 HH21 ARG 17 1HH2 ARG 17 3.238 2.163 -16.039 153 HH22 ARG 17 2HH2 ARG 17 4.481 2.872 -17.028 154 H GLN 18 HN GLN 18 7.693 0.684 -12.365 155 HA GLN 18 HA GLN 18 10.178 1.414 -13.364 156 HB2 GLN 18 2HB GLN 18 8.632 2.978 -12.322 157 HB3 GLN 18 1HB GLN 18 8.840 2.188 -10.770 158 HG2 GLN 18 2HG GLN 18 11.247 2.838 -10.846 159 HG3 GLN 18 1HG GLN 18 10.882 3.781 -12.290 160 HE21 GLN 18 1HE2 GLN 18 9.692 5.662 -12.107 161 HE22 GLN 18 2HE2 GLN 18 9.385 6.426 -10.585 162 H ALA 19 HN ALA 19 9.362 -0.424 -10.491 163 HA ALA 19 HA ALA 19 12.159 -0.416 -9.629 164 HB1 ALA 19 1HB ALA 19 11.345 -1.231 -7.507 165 HB2 ALA 19 2HB ALA 19 9.719 -1.393 -8.166 166 HB3 ALA 19 3HB ALA 19 10.444 0.206 -7.994 167 H LEU 20 HN LEU 20 10.256 -2.372 -11.521 168 HA LEU 20 HA LEU 20 10.669 -4.944 -10.529 169 HB2 LEU 20 2HB LEU 20 10.347 -3.913 -13.334 170 HB3 LEU 20 1HB LEU 20 10.541 -5.619 -12.994 171 HG LEU 20 HG LEU 20 8.296 -3.855 -12.020 172 HD11 LEU 20 1HD1 LEU 20 6.893 -5.242 -13.456 173 HD12 LEU 20 2HD1 LEU 20 8.318 -6.124 -14.007 174 HD13 LEU 20 3HD1 LEU 20 8.138 -4.410 -14.388 175 HD21 LEU 20 3HD2 LEU 20 8.791 -6.794 -11.566 176 HD22 LEU 20 1HD2 LEU 20 7.313 -5.929 -11.144 177 HD23 LEU 20 2HD2 LEU 20 8.832 -5.522 -10.346 178 HA PRO 21 HA PRO 21 11.051 -6.832 -10.953 179 HB2 PRO 21 2HB PRO 21 12.515 -8.996 -10.430 180 HB3 PRO 21 1HB PRO 21 12.275 -8.441 -12.090 181 HG2 PRO 21 2HG PRO 21 14.673 -8.237 -10.354 182 HG3 PRO 21 1HG PRO 21 14.570 -8.374 -12.117 183 HD2 PRO 21 2HD PRO 21 14.934 -6.003 -10.577 184 HD3 PRO 21 1HD PRO 21 14.705 -6.127 -12.332 185 H ASN 22 HN ASN 22 12.389 -4.901 -9.057 186 HA ASN 22 HA ASN 22 12.787 -6.428 -6.619 187 HB2 ASN 22 2HB ASN 22 12.751 -3.458 -7.197 188 HB3 ASN 22 1HB ASN 22 12.950 -4.113 -5.579 189 HD21 ASN 22 1HD2 ASN 22 14.338 -5.711 -8.344 190 HD22 ASN 22 2HD2 ASN 22 15.982 -5.306 -7.996 191 H GLU 23 HN GLU 23 11.477 -6.078 -4.695 192 HA GLU 23 HA GLU 23 8.684 -6.041 -5.198 193 HB2 GLU 23 2HB GLU 23 10.162 -5.765 -2.570 194 HB3 GLU 23 1HB GLU 23 8.439 -6.068 -2.742 195 HG2 GLU 23 2HG GLU 23 9.029 -8.187 -3.943 196 HG3 GLU 23 1HG GLU 23 10.706 -7.894 -3.487 197 H ALA 24 HN ALA 24 7.677 -4.256 -5.826 198 HA ALA 24 HA ALA 24 8.603 -1.630 -5.183 199 HB1 ALA 24 1HB ALA 24 7.461 -2.095 -7.292 200 HB2 ALA 24 2HB ALA 24 6.615 -0.854 -6.370 201 HB3 ALA 24 3HB ALA 24 5.990 -2.504 -6.412 202 H CYS 25 HN CYS 25 8.317 -0.676 -3.305 203 HA CYS 25 HA CYS 25 5.994 -1.431 -1.669 204 HB2 CYS 25 2HB CYS 25 8.131 -2.196 -0.722 205 HB3 CYS 25 1HB CYS 25 8.741 -0.545 -0.759 206 HG CYS 25 HG CYS 25 6.965 0.422 1.148 207 H GLY 26 HN GLY 26 5.138 0.222 -0.275 208 HA2 GLY 26 2HA GLY 26 5.977 2.933 -0.437 209 HA3 GLY 26 1HA GLY 26 4.590 2.645 -1.478 210 H LEU 27 HN LEU 27 3.833 4.344 0.155 211 HA LEU 27 HA LEU 27 2.555 2.934 2.405 212 HB2 LEU 27 2HB LEU 27 3.503 5.801 2.294 213 HB3 LEU 27 1HB LEU 27 2.549 5.121 3.597 214 HG LEU 27 HG LEU 27 5.335 4.238 2.833 215 HD11 LEU 27 1HD1 LEU 27 5.302 6.472 3.812 216 HD12 LEU 27 2HD1 LEU 27 6.013 5.301 4.922 217 HD13 LEU 27 3HD1 LEU 27 4.362 5.868 5.176 218 HD21 LEU 27 3HD2 LEU 27 5.259 2.929 4.881 219 HD22 LEU 27 1HD2 LEU 27 3.971 2.435 3.783 220 HD23 LEU 27 2HD2 LEU 27 3.602 3.454 5.175 221 H LEU 28 HN LEU 28 0.445 3.769 2.999 222 HA LEU 28 HA LEU 28 -0.973 4.843 0.644 223 HB2 LEU 28 2HB LEU 28 -2.072 3.154 2.892 224 HB3 LEU 28 1HB LEU 28 -2.930 3.649 1.446 225 HG LEU 28 HG LEU 28 -0.520 1.834 1.449 226 HD11 LEU 28 1HD1 LEU 28 -2.117 0.030 1.027 227 HD12 LEU 28 2HD1 LEU 28 -3.450 1.163 1.251 228 HD13 LEU 28 3HD1 LEU 28 -2.381 0.780 2.601 229 HD21 LEU 28 3HD2 LEU 28 -0.846 3.064 -0.638 230 HD22 LEU 28 1HD2 LEU 28 -2.520 2.511 -0.707 231 HD23 LEU 28 2HD2 LEU 28 -1.201 1.349 -0.848 232 H GLY 29 HN GLY 29 -2.258 6.617 0.874 233 HA2 GLY 29 2HA GLY 29 -2.531 7.697 3.608 234 HA3 GLY 29 1HA GLY 29 -2.190 8.710 2.214 235 H GLY 30 HN GLY 30 -4.425 8.607 4.201 236 HA2 GLY 30 2HA GLY 30 -6.515 9.531 2.701 237 HA3 GLY 30 1HA GLY 30 -6.764 7.788 2.748 238 H ARG 31 HN ARG 31 -8.540 7.685 4.080 239 HA ARG 31 HA ARG 31 -7.977 8.432 6.862 240 HB2 ARG 31 2HB ARG 31 -10.519 9.022 5.361 241 HB3 ARG 31 1HB ARG 31 -10.482 8.903 7.114 242 HG2 ARG 31 2HG ARG 31 -8.571 10.653 6.926 243 HG3 ARG 31 1HG ARG 31 -9.258 10.939 5.327 244 HD2 ARG 31 2HD ARG 31 -10.882 11.010 7.855 245 HD3 ARG 31 1HD ARG 31 -10.117 12.434 7.152 246 HE ARG 31 HE ARG 31 -11.520 11.543 5.071 247 HH11 ARG 31 1HH1 ARG 31 -12.443 11.944 8.432 248 HH12 ARG 31 2HH1 ARG 31 -14.105 12.297 8.065 249 HH21 ARG 31 1HH2 ARG 31 -13.673 11.986 4.574 250 HH22 ARG 31 2HH2 ARG 31 -14.809 12.333 5.855 251 H ARG 32 HN ARG 32 -8.674 7.063 8.394 252 HA ARG 32 HA ARG 32 -10.158 4.682 7.512 253 HB2 ARG 32 2HB ARG 32 -9.232 3.766 9.789 254 HB3 ARG 32 1HB ARG 32 -8.204 3.767 8.365 255 HG2 ARG 32 2HG ARG 32 -6.707 5.048 9.372 256 HG3 ARG 32 1HG ARG 32 -7.930 6.246 9.794 257 HD2 ARG 32 2HD ARG 32 -7.566 3.700 11.344 258 HD3 ARG 32 1HD ARG 32 -6.651 5.162 11.708 259 HE ARG 32 HE ARG 32 -9.375 5.824 11.615 260 HH11 ARG 32 1HH1 ARG 32 -7.177 3.932 13.575 261 HH12 ARG 32 2HH1 ARG 32 -8.047 4.200 15.053 262 HH21 ARG 32 1HH2 ARG 32 -10.518 6.199 13.555 263 HH22 ARG 32 2HH2 ARG 32 -9.967 5.474 15.039 264 H ASP 33 HN ASP 33 -12.189 4.520 8.253 265 HA ASP 33 HA ASP 33 -13.064 6.718 9.959 266 HB2 ASP 33 2HB ASP 33 -14.231 6.141 7.822 267 HB3 ASP 33 1HB ASP 33 -14.775 4.649 8.580 268 H GLY 34 HN GLY 34 -11.963 3.739 10.504 269 HA2 GLY 34 2HA GLY 34 -12.041 3.483 13.076 270 HA3 GLY 34 1HA GLY 34 -13.741 3.187 12.774 271 H ASP 35 HN ASP 35 -13.744 1.693 10.601 272 HA ASP 35 HA ASP 35 -12.068 -0.640 11.254 273 HB2 ASP 35 2HB ASP 35 -14.502 -0.881 11.860 274 HB3 ASP 35 1HB ASP 35 -14.881 -0.723 10.148 275 H ASP 36 HN ASP 36 -13.470 1.430 8.840 276 HA ASP 36 HA ASP 36 -12.298 -0.191 6.681 277 HB2 ASP 36 2HB ASP 36 -14.235 2.119 6.446 278 HB3 ASP 36 1HB ASP 36 -13.678 1.091 5.134 279 H ARG 37 HN ARG 37 -11.334 0.998 4.878 280 HA ARG 37 HA ARG 37 -9.864 3.398 5.724 281 HB2 ARG 37 2HB ARG 37 -8.549 1.303 4.009 282 HB3 ARG 37 1HB ARG 37 -7.802 2.600 4.924 283 HG2 ARG 37 2HG ARG 37 -7.217 0.770 6.168 284 HG3 ARG 37 1HG ARG 37 -8.698 1.274 6.986 285 HD2 ARG 37 2HD ARG 37 -9.979 -0.397 5.838 286 HD3 ARG 37 1HD ARG 37 -8.609 -0.812 4.810 287 HE ARG 37 HE ARG 37 -7.602 -1.363 7.198 288 HH11 ARG 37 1HH1 ARG 37 -10.752 -2.105 5.872 289 HH12 ARG 37 2HH1 ARG 37 -10.939 -3.572 6.775 290 HH21 ARG 37 1HH2 ARG 37 -7.856 -3.291 8.412 291 HH22 ARG 37 2HH2 ARG 37 -9.307 -4.237 8.241 292 H TRP 38 HN TRP 38 -9.943 4.998 4.251 293 HA TRP 38 HA TRP 38 -10.519 4.282 1.457 294 HB2 TRP 38 2HB TRP 38 -11.482 6.611 3.103 295 HB3 TRP 38 1HB TRP 38 -11.449 6.684 1.342 296 HD1 TRP 38 1HD TRP 38 -12.931 4.764 0.059 297 HE1 TRP 38 1HE TRP 38 -15.184 3.720 0.726 298 HE3 TRP 38 3HE TRP 38 -12.927 5.955 5.023 299 HZ2 TRP 38 2HZ TRP 38 -16.753 3.438 3.052 300 HZ3 TRP 38 3HZ TRP 38 -14.840 5.255 6.396 301 HH2 TRP 38 2HH TRP 38 -16.710 4.030 5.439 302 H VAL 39 HN VAL 39 -8.915 4.654 0.129 303 HA VAL 39 HA VAL 39 -6.649 6.260 1.023 304 HB VAL 39 HB VAL 39 -6.940 4.507 -1.430 305 HG11 VAL 39 1HG1 VAL 39 -4.513 4.619 -1.579 306 HG12 VAL 39 2HG1 VAL 39 -4.463 5.696 -0.183 307 HG13 VAL 39 3HG1 VAL 39 -5.221 6.231 -1.683 308 HG21 VAL 39 3HG2 VAL 39 -7.135 3.210 0.621 309 HG22 VAL 39 1HG2 VAL 39 -5.641 3.921 1.232 310 HG23 VAL 39 2HG2 VAL 39 -5.603 2.872 -0.184 311 H GLU 40 HN GLU 40 -6.082 8.186 0.185 312 HA GLU 40 HA GLU 40 -7.628 9.167 -2.120 313 HB2 GLU 40 2HB GLU 40 -7.195 11.444 -1.294 314 HB3 GLU 40 1HB GLU 40 -8.055 10.475 -0.112 315 HG2 GLU 40 2HG GLU 40 -6.553 11.478 1.250 316 HG3 GLU 40 1HG GLU 40 -5.621 10.051 0.808 317 H ARG 41 HN ARG 41 -4.490 8.522 -0.854 318 HA ARG 41 HA ARG 41 -3.253 9.200 -3.385 319 HB2 ARG 41 2HB ARG 41 -3.201 11.322 -2.243 320 HB3 ARG 41 1HB ARG 41 -2.560 10.575 -0.791 321 HG2 ARG 41 2HG ARG 41 -0.467 10.117 -1.931 322 HG3 ARG 41 1HG ARG 41 -1.116 10.817 -3.419 323 HD2 ARG 41 2HD ARG 41 0.339 12.338 -2.002 324 HD3 ARG 41 1HD ARG 41 -1.238 12.973 -2.473 325 HE ARG 41 HE ARG 41 -1.861 11.987 -0.105 326 HH11 ARG 41 1HH1 ARG 41 0.930 13.876 -1.065 327 HH12 ARG 41 2HH1 ARG 41 1.236 14.485 0.541 328 HH21 ARG 41 1HH2 ARG 41 -1.488 12.799 1.983 329 HH22 ARG 41 2HH2 ARG 41 -0.156 13.879 2.266 330 H VAL 42 HN VAL 42 -1.382 8.075 -3.761 331 HA VAL 42 HA VAL 42 -0.515 6.243 -1.624 332 HB VAL 42 HB VAL 42 -0.455 5.837 -4.625 333 HG11 VAL 42 1HG1 VAL 42 0.597 4.053 -2.431 334 HG12 VAL 42 2HG1 VAL 42 1.565 4.904 -3.635 335 HG13 VAL 42 3HG1 VAL 42 0.470 3.614 -4.133 336 HG21 VAL 42 3HG2 VAL 42 -1.928 3.929 -4.120 337 HG22 VAL 42 1HG2 VAL 42 -2.646 5.470 -3.647 338 HG23 VAL 42 2HG2 VAL 42 -1.945 4.410 -2.423 339 H TYR 43 HN TYR 43 1.557 6.306 -1.007 340 HA TYR 43 HA TYR 43 3.404 7.961 -2.595 341 HB2 TYR 43 2HB TYR 43 2.833 7.924 0.285 342 HB3 TYR 43 1HB TYR 43 4.547 7.900 -0.112 343 HD1 TYR 43 1HD TYR 43 3.949 9.518 -2.798 344 HD2 TYR 43 2HD TYR 43 3.113 10.137 1.330 345 HE1 TYR 43 1HE TYR 43 3.939 11.949 -3.170 346 HE2 TYR 43 2HE TYR 43 3.091 12.565 0.965 347 HH TYR 43 HH TYR 43 2.904 13.982 -2.053 348 HA PRO 44 HA PRO 44 5.224 3.772 -2.652 349 HB2 PRO 44 2HB PRO 44 6.173 4.494 -5.293 350 HB3 PRO 44 1HB PRO 44 5.055 3.210 -4.832 351 HG2 PRO 44 2HG PRO 44 4.291 5.412 -6.235 352 HG3 PRO 44 1HG PRO 44 3.205 4.527 -5.146 353 HD2 PRO 44 2HD PRO 44 4.722 7.067 -4.664 354 HD3 PRO 44 1HD PRO 44 3.055 6.645 -4.210 355 H LEU 45 HN LEU 45 7.177 3.468 -1.771 356 HA LEU 45 HA LEU 45 9.097 5.661 -1.900 357 HB2 LEU 45 2HB LEU 45 8.901 3.263 -0.087 358 HB3 LEU 45 1HB LEU 45 10.287 4.332 -0.096 359 HG LEU 45 HG LEU 45 9.053 5.109 1.697 360 HD11 LEU 45 1HD1 LEU 45 9.611 6.947 0.201 361 HD12 LEU 45 2HD1 LEU 45 8.109 7.264 1.068 362 HD13 LEU 45 3HD1 LEU 45 8.063 6.760 -0.622 363 HD21 LEU 45 3HD2 LEU 45 7.084 3.719 1.328 364 HD22 LEU 45 1HD2 LEU 45 6.537 4.825 0.068 365 HD23 LEU 45 2HD2 LEU 45 6.641 5.377 1.740 366 H ASN 46 HN ASN 46 11.468 4.706 -1.599 367 HA ASN 46 HA ASN 46 11.950 3.220 -4.081 368 HB2 ASN 46 2HB ASN 46 13.046 5.409 -3.750 369 HB3 ASN 46 1HB ASN 46 13.832 4.793 -2.302 370 HD21 ASN 46 1HD2 ASN 46 15.859 5.218 -3.126 371 HD22 ASN 46 2HD2 ASN 46 16.568 4.265 -4.390 372 H ASN 47 HN ASN 47 13.547 1.485 -4.111 373 HA ASN 47 HA ASN 47 13.506 -0.020 -1.600 374 HB2 ASN 47 2HB ASN 47 12.734 -1.221 -3.617 375 HB3 ASN 47 1HB ASN 47 14.319 -0.979 -4.352 376 HD21 ASN 47 1HD2 ASN 47 14.611 -3.240 -4.489 377 HD22 ASN 47 2HD2 ASN 47 14.994 -4.183 -3.089 378 H LEU 48 HN LEU 48 15.083 0.756 -0.380 379 HA LEU 48 HA LEU 48 17.599 1.640 -1.336 380 HB2 LEU 48 2HB LEU 48 16.469 1.052 1.383 381 HB3 LEU 48 1HB LEU 48 18.157 1.473 1.186 382 HG LEU 48 HG LEU 48 16.647 3.369 1.845 383 HD11 LEU 48 1HD1 LEU 48 18.138 3.643 -0.750 384 HD12 LEU 48 2HD1 LEU 48 18.823 3.764 0.870 385 HD13 LEU 48 3HD1 LEU 48 17.663 4.969 0.310 386 HD21 LEU 48 3HD2 LEU 48 14.716 2.798 0.454 387 HD22 LEU 48 1HD2 LEU 48 15.664 3.128 -0.995 388 HD23 LEU 48 2HD2 LEU 48 15.289 4.435 0.132 389 H ASP 49 HN ASP 49 16.377 -1.459 -0.734 390 HA ASP 49 HA ASP 49 18.742 -2.690 0.290 391 HB2 ASP 49 2HB ASP 49 16.191 -3.459 0.326 392 HB3 ASP 49 1HB ASP 49 16.677 -4.295 -1.141 393 H GLN 50 HN GLN 50 17.398 -2.120 -2.880 394 HA GLN 50 HA GLN 50 18.140 -2.438 -4.989 395 HB2 GLN 50 2HB GLN 50 20.766 -2.615 -3.533 396 HB3 GLN 50 1HB GLN 50 20.649 -2.741 -5.279 397 HG2 GLN 50 2HG GLN 50 19.636 -0.518 -5.370 398 HG3 GLN 50 1HG GLN 50 19.782 -0.392 -3.617 399 HE21 GLN 50 1HE2 GLN 50 20.967 1.233 -5.770 400 HE22 GLN 50 2HE2 GLN 50 22.678 1.171 -5.511 401 H SER 51 HN SER 51 17.472 -4.782 -3.149 402 HA SER 51 HA SER 51 18.879 -6.914 -4.566 403 HB2 SER 51 2HB SER 51 17.082 -6.941 -2.133 404 HB3 SER 51 1HB SER 51 17.765 -8.391 -2.862 405 HG SER 51 HG SER 51 18.914 -6.567 -1.203 406 HA PRO 52 HA PRO 52 15.367 -7.599 -7.165 407 HB2 PRO 52 2HB PRO 52 15.982 -10.082 -8.057 408 HB3 PRO 52 1HB PRO 52 16.823 -8.630 -8.608 409 HG2 PRO 52 2HG PRO 52 17.661 -10.646 -6.568 410 HG3 PRO 52 1HG PRO 52 18.631 -9.848 -7.820 411 HD2 PRO 52 2HD PRO 52 18.643 -9.078 -5.210 412 HD3 PRO 52 1HD PRO 52 18.933 -7.956 -6.555 413 H GLU 53 HN GLU 53 16.113 -9.630 -4.440 414 HA GLU 53 HA GLU 53 13.729 -11.220 -4.751 415 HB2 GLU 53 2HB GLU 53 14.312 -12.021 -2.400 416 HB3 GLU 53 1HB GLU 53 15.423 -12.425 -3.687 417 HG2 GLU 53 2HG GLU 53 16.015 -9.934 -2.253 418 HG3 GLU 53 1HG GLU 53 16.150 -11.416 -1.306 419 H HIS 54 HN HIS 54 14.768 -8.693 -2.428 420 HA HIS 54 HA HIS 54 11.955 -8.232 -1.843 421 HB2 HIS 54 2HB HIS 54 13.972 -9.100 0.210 422 HB3 HIS 54 1HB HIS 54 12.486 -8.262 0.642 423 HD1 HIS 54 1HD HIS 54 10.292 -9.572 0.477 424 HD2 HIS 54 2HD HIS 54 13.607 -11.685 -0.835 425 HE1 HIS 54 1HE HIS 54 9.541 -11.969 0.330 426 HE2 HIS 54 2HE HIS 54 11.623 -13.266 -0.271 427 H PHE 55 HN PHE 55 11.724 -6.420 -0.179 428 HA PHE 55 HA PHE 55 13.565 -4.248 -0.939 429 HB2 PHE 55 2HB PHE 55 11.731 -2.720 -0.621 430 HB3 PHE 55 1HB PHE 55 11.151 -4.045 -1.625 431 HD1 PHE 55 2HD PHE 55 9.636 -5.745 -0.672 432 HD2 PHE 55 1HD PHE 55 10.822 -2.314 1.549 433 HE1 PHE 55 2HE PHE 55 7.794 -6.137 0.909 434 HE2 PHE 55 1HE PHE 55 8.983 -2.701 3.135 435 HZ PHE 55 HZ PHE 55 7.466 -4.614 2.816 436 H SER 56 HN SER 56 13.812 -2.505 0.720 437 HA SER 56 HA SER 56 13.195 -3.302 3.462 438 HB2 SER 56 2HB SER 56 15.910 -2.588 2.406 439 HB3 SER 56 1HB SER 56 15.495 -2.288 4.087 440 HG SER 56 HG SER 56 16.189 -4.604 2.875 441 H MET 57 HN MET 57 12.807 -1.135 1.170 442 HA MET 57 HA MET 57 12.501 1.105 0.910 443 HB2 MET 57 2HB MET 57 10.767 1.966 2.244 444 HB3 MET 57 1HB MET 57 10.482 0.243 2.149 445 HG2 MET 57 2HG MET 57 11.285 -0.077 4.383 446 HG3 MET 57 1HG MET 57 11.805 1.604 4.483 447 HE1 MET 57 3HE MET 57 7.383 0.271 4.326 448 HE2 MET 57 1HE MET 57 8.730 -0.861 4.442 449 HE3 MET 57 2HE MET 57 8.497 0.085 2.970 450 H ASP 58 HN ASP 58 12.321 3.279 2.632 451 HA ASP 58 HA ASP 58 14.754 3.218 4.279 452 HB2 ASP 58 2HB ASP 58 15.282 4.386 2.169 453 HB3 ASP 58 1HB ASP 58 13.943 5.478 2.440 454 HA PRO 59 HA PRO 59 11.954 4.856 7.294 455 HB2 PRO 59 2HB PRO 59 13.738 5.827 9.093 456 HB3 PRO 59 1HB PRO 59 13.420 4.101 8.884 457 HG2 PRO 59 2HG PRO 59 15.663 5.759 7.806 458 HG3 PRO 59 1HG PRO 59 15.712 4.135 8.515 459 HD2 PRO 59 2HD PRO 59 15.767 4.566 5.839 460 HD3 PRO 59 1HD PRO 59 15.028 3.124 6.561 461 H ARG 60 HN ARG 60 14.381 6.931 5.812 462 HA ARG 60 HA ARG 60 13.493 9.324 7.125 463 HB2 ARG 60 2HB ARG 60 15.100 9.065 4.576 464 HB3 ARG 60 1HB ARG 60 14.951 10.504 5.573 465 HG2 ARG 60 2HG ARG 60 16.215 9.535 7.321 466 HG3 ARG 60 1HG ARG 60 16.137 7.935 6.575 467 HD2 ARG 60 2HD ARG 60 17.422 8.808 4.653 468 HD3 ARG 60 1HD ARG 60 17.563 10.358 5.484 469 HE ARG 60 HE ARG 60 19.018 9.365 7.044 470 HH11 ARG 60 1HH1 ARG 60 17.963 7.109 4.584 471 HH12 ARG 60 2HH1 ARG 60 19.265 6.001 4.863 472 HH21 ARG 60 1HH2 ARG 60 20.745 7.921 7.404 473 HH22 ARG 60 2HH2 ARG 60 20.866 6.475 6.452 474 H GLU 61 HN GLU 61 13.069 7.968 3.858 475 HA GLU 61 HA GLU 61 11.256 10.041 3.102 476 HB2 GLU 61 2HB GLU 61 10.701 8.491 1.185 477 HB3 GLU 61 1HB GLU 61 12.374 9.005 1.318 478 HG2 GLU 61 2HG GLU 61 12.793 6.813 2.508 479 HG3 GLU 61 1HG GLU 61 11.192 6.327 1.947 480 H GLN 62 HN GLN 62 10.902 6.877 4.570 481 HA GLN 62 HA GLN 62 8.140 6.577 4.447 482 HB2 GLN 62 2HB GLN 62 9.638 4.834 5.278 483 HB3 GLN 62 1HB GLN 62 10.056 5.832 6.664 484 HG2 GLN 62 2HG GLN 62 7.587 5.779 7.244 485 HG3 GLN 62 1HG GLN 62 7.458 4.491 6.050 486 HE21 GLN 62 1HE2 GLN 62 8.423 2.499 6.461 487 HE22 GLN 62 2HE2 GLN 62 8.937 2.045 8.045 488 H LEU 63 HN LEU 63 10.130 8.189 6.929 489 HA LEU 63 HA LEU 63 7.968 8.971 8.562 490 HB2 LEU 63 2HB LEU 63 10.261 8.885 9.376 491 HB3 LEU 63 1HB LEU 63 10.722 10.170 8.278 492 HG LEU 63 HG LEU 63 9.242 11.729 9.497 493 HD11 LEU 63 1HD1 LEU 63 7.618 10.115 10.330 494 HD12 LEU 63 2HD1 LEU 63 8.299 11.069 11.648 495 HD13 LEU 63 3HD1 LEU 63 8.844 9.413 11.385 496 HD21 LEU 63 3HD2 LEU 63 11.603 11.568 10.082 497 HD22 LEU 63 1HD2 LEU 63 11.238 10.284 11.232 498 HD23 LEU 63 2HD2 LEU 63 10.619 11.912 11.505 499 H THR 64 HN THR 64 9.695 10.629 5.973 500 HA THR 64 HA THR 64 8.411 13.112 6.195 501 HB THR 64 HB THR 64 9.521 11.848 3.681 502 HG1 THR 64 1HG THR 64 11.214 11.869 5.058 503 HG21 THR 64 3HG2 THR 64 9.905 14.177 2.983 504 HG22 THR 64 1HG2 THR 64 9.121 14.744 4.457 505 HG23 THR 64 2HG2 THR 64 8.192 13.857 3.249 506 H ALA 65 HN ALA 65 7.568 10.190 4.378 507 HA ALA 65 HA ALA 65 5.394 11.271 2.944 508 HB1 ALA 65 1HB ALA 65 4.733 8.982 2.524 509 HB2 ALA 65 2HB ALA 65 5.774 8.413 3.830 510 HB3 ALA 65 3HB ALA 65 6.485 9.131 2.385 511 H VAL 66 HN VAL 66 5.584 9.699 6.107 512 HA VAL 66 HA VAL 66 2.800 9.674 6.618 513 HB VAL 66 HB VAL 66 5.078 9.760 8.609 514 HG11 VAL 66 1HG1 VAL 66 3.502 8.808 10.197 515 HG12 VAL 66 2HG1 VAL 66 2.218 8.878 8.990 516 HG13 VAL 66 3HG1 VAL 66 2.927 10.369 9.612 517 HG21 VAL 66 3HG2 VAL 66 5.308 7.860 7.142 518 HG22 VAL 66 1HG2 VAL 66 3.613 7.426 7.381 519 HG23 VAL 66 2HG2 VAL 66 4.752 7.312 8.724 520 H LYS 67 HN LYS 67 5.353 12.029 7.314 521 HA LYS 67 HA LYS 67 3.715 13.804 8.806 522 HB2 LYS 67 2HB LYS 67 6.218 13.785 8.826 523 HB3 LYS 67 1HB LYS 67 6.189 14.483 7.212 524 HG2 LYS 67 2HG LYS 67 4.995 16.440 8.096 525 HG3 LYS 67 1HG LYS 67 5.079 15.744 9.715 526 HD2 LYS 67 2HD LYS 67 7.432 16.518 7.987 527 HD3 LYS 67 1HD LYS 67 6.826 17.420 9.374 528 HE2 LYS 67 2HE LYS 67 7.294 15.408 10.783 529 HE3 LYS 67 1HE LYS 67 8.073 14.677 9.379 530 HZ1 LYS 67 3HZ LYS 67 8.883 17.175 10.763 531 HZ2 LYS 67 1HZ LYS 67 9.584 16.613 9.327 532 HZ3 LYS 67 2HZ LYS 67 9.727 15.703 10.751 533 H ASP 68 HN ASP 68 4.685 13.691 5.408 534 HA ASP 68 HA ASP 68 3.433 16.048 4.534 535 HB2 ASP 68 2HB ASP 68 5.065 14.596 3.247 536 HB3 ASP 68 1HB ASP 68 3.723 13.515 2.918 537 H MET 69 HN MET 69 2.263 12.801 5.010 538 HA MET 69 HA MET 69 -0.197 12.942 3.724 539 HB2 MET 69 2HB MET 69 1.026 10.997 5.022 540 HB3 MET 69 1HB MET 69 0.007 11.533 6.350 541 HG2 MET 69 2HG MET 69 -1.065 9.726 5.194 542 HG3 MET 69 1HG MET 69 -1.975 11.215 4.937 543 HE1 MET 69 3HE MET 69 1.400 10.113 3.265 544 HE2 MET 69 1HE MET 69 0.826 9.350 1.781 545 HE3 MET 69 2HE MET 69 0.492 8.603 3.341 546 H ARG 70 HN ARG 70 0.610 13.773 7.096 547 HA ARG 70 HA ARG 70 -2.066 14.638 7.668 548 HB2 ARG 70 2HB ARG 70 -0.475 13.767 9.409 549 HB3 ARG 70 1HB ARG 70 0.426 15.274 9.256 550 HG2 ARG 70 2HG ARG 70 -1.517 16.540 9.959 551 HG3 ARG 70 1HG ARG 70 -2.472 15.062 10.047 552 HD2 ARG 70 2HD ARG 70 -0.947 14.227 11.806 553 HD3 ARG 70 1HD ARG 70 -0.080 15.764 11.747 554 HE ARG 70 HE ARG 70 -2.805 16.286 12.152 555 HH11 ARG 70 1HH1 ARG 70 -0.073 14.922 13.891 556 HH12 ARG 70 2HH1 ARG 70 -0.740 15.299 15.451 557 HH21 ARG 70 1HH2 ARG 70 -3.652 16.795 14.186 558 HH22 ARG 70 2HH2 ARG 70 -2.766 16.367 15.624 559 H LYS 71 HN LYS 71 0.807 16.110 6.436 560 HA LYS 71 HA LYS 71 0.181 18.831 6.756 561 HB2 LYS 71 2HB LYS 71 2.359 17.975 5.951 562 HB3 LYS 71 1HB LYS 71 1.595 17.457 4.458 563 HG2 LYS 71 2HG LYS 71 0.921 19.995 4.309 564 HG3 LYS 71 1HG LYS 71 2.315 20.189 5.375 565 HD2 LYS 71 2HD LYS 71 3.059 20.419 3.098 566 HD3 LYS 71 1HD LYS 71 3.672 18.889 3.733 567 HE2 LYS 71 2HE LYS 71 1.805 17.713 2.646 568 HE3 LYS 71 1HE LYS 71 1.238 19.242 1.984 569 HZ1 LYS 71 3HZ LYS 71 2.467 18.153 0.304 570 HZ2 LYS 71 1HZ LYS 71 3.761 17.818 1.349 571 HZ3 LYS 71 2HZ LYS 71 3.453 19.414 0.864 572 H ASN 72 HN ASN 72 -0.761 16.448 4.344 573 HA ASN 72 HA ASN 72 -2.218 18.322 2.723 574 HB2 ASN 72 2HB ASN 72 -1.111 16.201 1.885 575 HB3 ASN 72 1HB ASN 72 -2.401 15.303 2.674 576 HD21 ASN 72 1HD2 ASN 72 -3.114 14.436 0.722 577 HD22 ASN 72 2HD2 ASN 72 -3.964 15.383 -0.442 578 H GLY 73 HN GLY 73 -2.867 16.473 5.533 579 HA2 GLY 73 2HA GLY 73 -4.765 17.054 6.883 580 HA3 GLY 73 1HA GLY 73 -5.675 17.343 5.409 581 H TRP 74 HN TRP 74 -3.666 14.542 5.638 582 HA TRP 74 HA TRP 74 -6.000 12.849 6.201 583 HB2 TRP 74 2HB TRP 74 -4.307 12.898 3.745 584 HB3 TRP 74 1HB TRP 74 -4.902 11.339 4.326 585 HD1 TRP 74 1HD TRP 74 -7.641 11.361 4.861 586 HE1 TRP 74 1HE TRP 74 -9.545 12.298 3.379 587 HE3 TRP 74 3HE TRP 74 -4.909 14.610 2.051 588 HZ2 TRP 74 2HZ TRP 74 -9.820 14.187 1.303 589 HZ3 TRP 74 3HZ TRP 74 -6.060 15.958 0.343 590 HH2 TRP 74 2HH TRP 74 -8.464 15.750 -0.022 591 H VAL 75 HN VAL 75 -5.171 10.450 6.383 592 HA VAL 75 HA VAL 75 -2.703 10.535 7.992 593 HB VAL 75 HB VAL 75 -3.622 8.759 9.420 594 HG11 VAL 75 1HG1 VAL 75 -5.262 10.121 10.631 595 HG12 VAL 75 2HG1 VAL 75 -5.386 11.198 9.240 596 HG13 VAL 75 3HG1 VAL 75 -3.865 11.071 10.125 597 HG21 VAL 75 3HG2 VAL 75 -6.183 9.173 7.878 598 HG22 VAL 75 1HG2 VAL 75 -5.997 8.180 9.325 599 HG23 VAL 75 2HG2 VAL 75 -5.166 7.732 7.835 600 H MET 76 HN MET 76 -1.601 8.432 8.199 601 HA MET 76 HA MET 76 -1.491 7.160 5.583 602 HB2 MET 76 2HB MET 76 0.557 8.068 6.754 603 HB3 MET 76 1HB MET 76 0.368 6.785 7.936 604 HG2 MET 76 2HG MET 76 0.538 6.072 5.056 605 HG3 MET 76 1HG MET 76 2.003 6.541 5.915 606 HE1 MET 76 3HE MET 76 2.237 3.855 8.722 607 HE2 MET 76 1HE MET 76 1.498 5.453 8.835 608 HE3 MET 76 2HE MET 76 3.012 5.241 7.955 609 H LEU 77 HN LEU 77 -2.183 5.136 5.203 610 HA LEU 77 HA LEU 77 -3.701 3.923 7.391 611 HB2 LEU 77 2HB LEU 77 -3.841 3.385 4.427 612 HB3 LEU 77 1HB LEU 77 -4.948 2.779 5.642 613 HG LEU 77 HG LEU 77 -4.595 5.685 4.902 614 HD11 LEU 77 1HD1 LEU 77 -6.842 5.472 3.945 615 HD12 LEU 77 2HD1 LEU 77 -6.805 3.738 4.270 616 HD13 LEU 77 3HD1 LEU 77 -5.666 4.445 3.123 617 HD21 LEU 77 3HD2 LEU 77 -6.552 6.064 6.306 618 HD22 LEU 77 1HD2 LEU 77 -5.221 5.383 7.242 619 HD23 LEU 77 2HD2 LEU 77 -6.570 4.357 6.753 620 H GLY 78 HN GLY 78 -0.847 3.374 5.642 621 HA2 GLY 78 2HA GLY 78 0.233 1.310 6.877 622 HA3 GLY 78 1HA GLY 78 -0.976 0.473 5.913 623 H ASN 79 HN ASN 79 0.880 -0.605 4.942 624 HA ASN 79 HA ASN 79 2.092 1.065 2.850 625 HB2 ASN 79 2HB ASN 79 4.144 -0.224 2.981 626 HB3 ASN 79 1HB ASN 79 3.782 0.477 4.543 627 HD21 ASN 79 1HD2 ASN 79 3.307 -0.851 6.268 628 HD22 ASN 79 2HD2 ASN 79 3.517 -2.562 6.210 629 H PHE 80 HN PHE 80 2.948 -0.252 1.034 630 HA PHE 80 HA PHE 80 1.450 -2.733 0.604 631 HB2 PHE 80 2HB PHE 80 0.681 -2.126 -1.551 632 HB3 PHE 80 1HB PHE 80 0.293 -0.757 -0.520 633 HD1 PHE 80 1HD PHE 80 2.365 -1.966 -3.278 634 HD2 PHE 80 2HD PHE 80 1.428 1.368 -0.798 635 HE1 PHE 80 1HE PHE 80 3.520 -0.477 -4.856 636 HE2 PHE 80 2HE PHE 80 2.588 2.863 -2.374 637 HZ PHE 80 HZ PHE 80 3.633 1.941 -4.405 638 H HIS 81 HN HIS 81 2.420 -4.151 -0.922 639 HA HIS 81 HA HIS 81 4.897 -3.443 -2.169 640 HB2 HIS 81 2HB HIS 81 6.248 -5.227 -1.056 641 HB3 HIS 81 1HB HIS 81 5.844 -3.874 -0.012 642 HD1 HIS 81 1HD HIS 81 4.423 -4.367 2.065 643 HD2 HIS 81 2HD HIS 81 5.014 -7.681 -0.375 644 HE1 HIS 81 1HE HIS 81 3.696 -6.349 3.427 645 HE2 HIS 81 2HE HIS 81 4.331 -8.351 2.032 646 H SER 82 HN SER 82 5.477 -4.851 -3.789 647 HA SER 82 HA SER 82 3.412 -6.857 -4.391 648 HB2 SER 82 2HB SER 82 4.023 -6.385 -6.797 649 HB3 SER 82 1HB SER 82 3.267 -5.037 -5.947 650 HG SER 82 HG SER 82 5.118 -4.391 -7.141 651 H HIS 83 HN HIS 83 4.032 -8.803 -5.370 652 HA HIS 83 HA HIS 83 6.878 -9.481 -5.003 653 HB2 HIS 83 2HB HIS 83 4.372 -11.151 -4.911 654 HB3 HIS 83 1HB HIS 83 5.959 -11.883 -5.108 655 HD1 HIS 83 1HD HIS 83 5.705 -13.083 -2.833 656 HD2 HIS 83 2HD HIS 83 5.650 -8.937 -2.590 657 HE1 HIS 83 1HE HIS 83 5.962 -12.547 -0.389 658 HE2 HIS 83 2HE HIS 83 6.119 -10.033 -0.286 659 HA PRO 84 HA PRO 84 7.094 -9.776 -9.364 660 HB2 PRO 84 2HB PRO 84 9.518 -10.886 -9.642 661 HB3 PRO 84 1HB PRO 84 9.298 -9.258 -8.996 662 HG2 PRO 84 2HG PRO 84 9.887 -11.803 -7.564 663 HG3 PRO 84 1HG PRO 84 10.462 -10.162 -7.224 664 HD2 PRO 84 2HD PRO 84 8.380 -11.457 -5.904 665 HD3 PRO 84 1HD PRO 84 8.677 -9.710 -5.896 666 H ALA 85 HN ALA 85 7.623 -12.840 -7.613 667 HA ALA 85 HA ALA 85 6.666 -14.251 -10.009 668 HB1 ALA 85 1HB ALA 85 8.461 -15.867 -9.880 669 HB2 ALA 85 2HB ALA 85 9.135 -15.040 -8.476 670 HB3 ALA 85 3HB ALA 85 9.126 -14.242 -10.048 671 H THR 86 HN THR 86 5.443 -13.682 -7.388 672 HA THR 86 HA THR 86 4.874 -16.433 -6.592 673 HB THR 86 HB THR 86 4.893 -15.587 -4.137 674 HG1 THR 86 1HG THR 86 7.066 -14.003 -4.714 675 HG21 THR 86 3HG2 THR 86 7.248 -16.245 -3.875 676 HG22 THR 86 1HG2 THR 86 7.472 -16.107 -5.619 677 HG23 THR 86 2HG2 THR 86 6.380 -17.326 -4.964 678 HA PRO 87 HA PRO 87 0.663 -15.231 -6.453 679 HB2 PRO 87 2HB PRO 87 0.375 -16.651 -3.868 680 HB3 PRO 87 1HB PRO 87 -0.444 -16.936 -5.409 681 HG2 PRO 87 2HG PRO 87 1.442 -18.608 -4.531 682 HG3 PRO 87 1HG PRO 87 1.308 -18.202 -6.253 683 HD2 PRO 87 2HD PRO 87 3.228 -17.159 -4.204 684 HD3 PRO 87 1HD PRO 87 3.529 -17.632 -5.890 685 H ALA 88 HN ALA 88 -1.049 -14.229 -5.089 686 HA ALA 88 HA ALA 88 0.119 -11.993 -3.678 687 HB1 ALA 88 1HB ALA 88 -2.121 -11.026 -3.745 688 HB2 ALA 88 2HB ALA 88 -2.760 -12.540 -4.383 689 HB3 ALA 88 3HB ALA 88 -1.625 -11.588 -5.341 690 H ARG 89 HN ARG 89 0.803 -13.672 -2.004 691 HA ARG 89 HA ARG 89 -0.834 -13.135 0.301 692 HB2 ARG 89 2HB ARG 89 -0.665 -15.857 -0.846 693 HB3 ARG 89 1HB ARG 89 -0.346 -15.751 0.881 694 HG2 ARG 89 2HG ARG 89 -2.505 -14.556 1.152 695 HG3 ARG 89 1HG ARG 89 -2.827 -14.843 -0.558 696 HD2 ARG 89 2HD ARG 89 -2.851 -17.206 -0.231 697 HD3 ARG 89 1HD ARG 89 -2.271 -17.036 1.426 698 HE ARG 89 HE ARG 89 -4.677 -15.619 1.174 699 HH11 ARG 89 1HH1 ARG 89 -3.541 -18.942 1.150 700 HH12 ARG 89 2HH1 ARG 89 -5.029 -19.571 1.787 701 HH21 ARG 89 1HH2 ARG 89 -6.604 -16.434 2.018 702 HH22 ARG 89 2HH2 ARG 89 -6.774 -18.152 2.290 703 HA PRO 90 HA PRO 90 3.081 -12.481 2.117 704 HB2 PRO 90 2HB PRO 90 2.643 -13.491 4.661 705 HB3 PRO 90 1HB PRO 90 2.188 -11.875 4.114 706 HG2 PRO 90 2HG PRO 90 0.517 -14.343 4.331 707 HG3 PRO 90 1HG PRO 90 0.093 -12.663 4.712 708 HD2 PRO 90 2HD PRO 90 -0.740 -13.827 2.453 709 HD3 PRO 90 1HD PRO 90 -0.258 -12.116 2.483 710 H SER 91 HN SER 91 4.761 -13.632 1.487 711 HA SER 91 HA SER 91 4.953 -16.477 1.780 712 HB2 SER 91 2HB SER 91 7.155 -14.513 1.102 713 HB3 SER 91 1HB SER 91 7.119 -16.238 0.744 714 HG SER 91 HG SER 91 5.773 -15.898 -0.881 715 H ALA 92 HN ALA 92 7.133 -17.315 2.823 716 HA ALA 92 HA ALA 92 6.980 -16.870 5.586 717 HB1 ALA 92 1HB ALA 92 7.899 -18.916 4.621 718 HB2 ALA 92 2HB ALA 92 9.038 -18.178 5.748 719 HB3 ALA 92 3HB ALA 92 9.287 -18.011 4.010 720 H GLU 93 HN GLU 93 9.223 -15.592 3.177 721 HA GLU 93 HA GLU 93 10.816 -14.108 5.000 722 HB2 GLU 93 2HB GLU 93 10.416 -13.580 2.053 723 HB3 GLU 93 1HB GLU 93 11.793 -13.106 3.039 724 HG2 GLU 93 2HG GLU 93 12.475 -15.387 3.293 725 HG3 GLU 93 1HG GLU 93 11.013 -15.959 2.492 726 H ASP 94 HN ASP 94 7.940 -13.402 3.117 727 HA ASP 94 HA ASP 94 7.927 -10.583 3.484 728 HB2 ASP 94 2HB ASP 94 6.632 -12.074 1.774 729 HB3 ASP 94 1HB ASP 94 5.438 -12.223 3.057 730 H LYS 95 HN LYS 95 6.613 -13.305 5.225 731 HA LYS 95 HA LYS 95 4.956 -12.065 7.081 732 HB2 LYS 95 2HB LYS 95 5.081 -14.487 6.777 733 HB3 LYS 95 1HB LYS 95 6.725 -14.501 7.394 734 HG2 LYS 95 2HG LYS 95 5.749 -13.562 9.551 735 HG3 LYS 95 1HG LYS 95 4.174 -14.006 8.887 736 HD2 LYS 95 2HD LYS 95 4.980 -15.789 10.310 737 HD3 LYS 95 1HD LYS 95 4.987 -16.333 8.629 738 HE2 LYS 95 2HE LYS 95 7.372 -15.906 8.476 739 HE3 LYS 95 1HE LYS 95 7.386 -15.270 10.120 740 HZ1 LYS 95 3HZ LYS 95 8.179 -17.494 10.179 741 HZ2 LYS 95 1HZ LYS 95 6.859 -18.072 9.284 742 HZ3 LYS 95 2HZ LYS 95 6.630 -17.505 10.863 743 H ARG 96 HN ARG 96 8.442 -12.308 6.965 744 HA ARG 96 HA ARG 96 8.855 -11.558 9.704 745 HB2 ARG 96 2HB ARG 96 10.827 -11.542 7.412 746 HB3 ARG 96 1HB ARG 96 11.224 -11.423 9.119 747 HG2 ARG 96 2HG ARG 96 10.046 -13.794 7.691 748 HG3 ARG 96 1HG ARG 96 11.669 -13.651 8.365 749 HD2 ARG 96 2HD ARG 96 9.093 -13.610 9.934 750 HD3 ARG 96 1HD ARG 96 10.188 -14.982 9.797 751 HE ARG 96 HE ARG 96 11.550 -12.697 10.795 752 HH11 ARG 96 1HH1 ARG 96 9.306 -15.236 11.743 753 HH12 ARG 96 2HH1 ARG 96 9.724 -15.139 13.423 754 HH21 ARG 96 1HH2 ARG 96 12.087 -12.597 13.025 755 HH22 ARG 96 2HH2 ARG 96 11.275 -13.657 14.143 756 H LEU 97 HN LEU 97 8.120 -9.863 6.856 757 HA LEU 97 HA LEU 97 9.503 -7.423 7.590 758 HB2 LEU 97 2HB LEU 97 7.616 -8.040 5.316 759 HB3 LEU 97 1HB LEU 97 8.521 -6.552 5.507 760 HG LEU 97 HG LEU 97 9.735 -9.286 5.097 761 HD11 LEU 97 1HD1 LEU 97 8.600 -8.491 3.100 762 HD12 LEU 97 2HD1 LEU 97 10.350 -8.440 2.885 763 HD13 LEU 97 3HD1 LEU 97 9.457 -6.953 3.207 764 HD21 LEU 97 3HD2 LEU 97 11.832 -8.044 4.795 765 HD22 LEU 97 1HD2 LEU 97 11.174 -7.845 6.419 766 HD23 LEU 97 2HD2 LEU 97 11.001 -6.551 5.234 767 H ALA 98 HN ALA 98 6.964 -8.744 8.939 768 HA ALA 98 HA ALA 98 5.052 -6.593 8.790 769 HB1 ALA 98 1HB ALA 98 5.116 -9.001 10.604 770 HB2 ALA 98 2HB ALA 98 4.287 -8.900 9.051 771 HB3 ALA 98 3HB ALA 98 3.762 -7.890 10.398 772 H PHE 99 HN PHE 99 6.037 -4.773 9.560 773 HA PHE 99 HA PHE 99 6.970 -4.837 12.353 774 HB2 PHE 99 2HB PHE 99 7.433 -2.685 10.274 775 HB3 PHE 99 1HB PHE 99 8.159 -2.769 11.875 776 HD1 PHE 99 1HD PHE 99 9.525 -4.984 12.342 777 HD2 PHE 99 2HD PHE 99 8.640 -3.430 8.481 778 HE1 PHE 99 1HE PHE 99 11.429 -6.232 11.404 779 HE2 PHE 99 2HE PHE 99 10.539 -4.672 7.538 780 HZ PHE 99 HZ PHE 99 11.938 -6.076 8.997 781 H ASP 100 HN ASP 100 4.346 -4.000 10.477 782 HA ASP 100 HA ASP 100 3.656 -1.523 11.783 783 HB2 ASP 100 2HB ASP 100 2.001 -3.250 9.923 784 HB3 ASP 100 1HB ASP 100 1.635 -1.596 10.397 785 HA PRO 101 HA PRO 101 1.352 -3.479 15.023 786 HB2 PRO 101 2HB PRO 101 0.047 -1.025 15.702 787 HB3 PRO 101 1HB PRO 101 1.457 -1.754 16.469 788 HG2 PRO 101 2HG PRO 101 1.483 0.604 15.020 789 HG3 PRO 101 1HG PRO 101 2.903 -0.403 15.348 790 HD2 PRO 101 2HD PRO 101 1.224 -0.224 12.885 791 HD3 PRO 101 1HD PRO 101 2.980 -0.448 13.045 792 H SER 102 HN SER 102 -0.602 -0.992 13.344 793 HA SER 102 HA SER 102 -2.791 -2.938 13.168 794 HB2 SER 102 2HB SER 102 -3.138 -1.500 15.168 795 HB3 SER 102 1HB SER 102 -3.106 -0.078 14.125 796 HG SER 102 HG SER 102 -4.929 -1.004 13.016 797 H LEU 103 HN LEU 103 -0.796 -1.595 11.309 798 HA LEU 103 HA LEU 103 -2.512 0.033 9.626 799 HB2 LEU 103 2HB LEU 103 0.377 -0.785 9.305 800 HB3 LEU 103 1HB LEU 103 -0.478 0.334 8.258 801 HG LEU 103 HG LEU 103 0.052 0.774 11.200 802 HD11 LEU 103 1HD1 LEU 103 1.341 1.991 8.765 803 HD12 LEU 103 2HD1 LEU 103 2.102 0.891 9.914 804 HD13 LEU 103 3HD1 LEU 103 1.610 2.505 10.430 805 HD21 LEU 103 3HD2 LEU 103 -0.753 3.043 10.775 806 HD22 LEU 103 1HD2 LEU 103 -2.004 1.845 10.441 807 HD23 LEU 103 2HD2 LEU 103 -1.129 2.600 9.110 808 H SER 104 HN SER 104 -2.684 -0.447 7.291 809 HA SER 104 HA SER 104 -3.281 -3.302 7.002 810 HB2 SER 104 2HB SER 104 -4.196 -0.987 5.279 811 HB3 SER 104 1HB SER 104 -4.813 -2.640 5.246 812 HG SER 104 HG SER 104 -4.857 -1.310 7.691 813 H TYR 105 HN TYR 105 -2.249 -4.578 5.596 814 HA TYR 105 HA TYR 105 -0.140 -3.409 3.939 815 HB2 TYR 105 2HB TYR 105 -0.754 -6.274 4.689 816 HB3 TYR 105 1HB TYR 105 0.537 -5.805 3.594 817 HD1 TYR 105 2HD TYR 105 -0.623 -5.652 7.096 818 HD2 TYR 105 1HD TYR 105 2.606 -5.006 4.411 819 HE1 TYR 105 2HE TYR 105 0.914 -5.445 9.006 820 HE2 TYR 105 1HE TYR 105 4.150 -4.793 6.308 821 HH TYR 105 HH TYR 105 3.951 -4.124 8.752 822 H LEU 106 HN LEU 106 -0.297 -3.289 1.768 823 HA LEU 106 HA LEU 106 -2.390 -4.894 0.450 824 HB2 LEU 106 2HB LEU 106 -1.221 -2.229 -0.127 825 HB3 LEU 106 1HB LEU 106 -1.597 -3.231 -1.514 826 HG LEU 106 HG LEU 106 -3.937 -3.388 -0.772 827 HD11 LEU 106 1HD1 LEU 106 -3.600 -3.158 1.626 828 HD12 LEU 106 2HD1 LEU 106 -4.752 -1.963 1.032 829 HD13 LEU 106 3HD1 LEU 106 -3.097 -1.482 1.408 830 HD21 LEU 106 3HD2 LEU 106 -2.887 -0.569 -0.987 831 HD22 LEU 106 1HD2 LEU 106 -4.557 -1.070 -1.250 832 HD23 LEU 106 2HD2 LEU 106 -3.286 -1.641 -2.330 833 H ILE 107 HN ILE 107 -1.765 -6.599 -0.655 834 HA ILE 107 HA ILE 107 1.058 -6.747 -1.495 835 HB ILE 107 HB ILE 107 -0.796 -9.024 -0.760 836 HG12 ILE 107 2HG1 ILE 107 1.673 -7.931 0.617 837 HG13 ILE 107 1HG1 ILE 107 0.019 -7.741 1.179 838 HG21 ILE 107 1HG2 ILE 107 0.715 -9.658 -2.560 839 HG22 ILE 107 2HG2 ILE 107 1.171 -10.461 -1.057 840 HG23 ILE 107 3HG2 ILE 107 2.092 -9.071 -1.631 841 HD11 ILE 107 3HD1 ILE 107 -0.157 -10.146 1.509 842 HD12 ILE 107 1HD1 ILE 107 1.190 -9.465 2.424 843 HD13 ILE 107 2HD1 ILE 107 1.496 -10.348 0.928 844 H ILE 108 HN ILE 108 1.395 -6.720 -3.584 845 HA ILE 108 HA ILE 108 -0.819 -7.436 -5.392 846 HB ILE 108 HB ILE 108 1.602 -5.745 -6.040 847 HG12 ILE 108 2HG1 ILE 108 -1.215 -4.831 -5.411 848 HG13 ILE 108 1HG1 ILE 108 0.163 -4.670 -4.327 849 HG21 ILE 108 1HG2 ILE 108 -0.989 -6.164 -7.525 850 HG22 ILE 108 2HG2 ILE 108 0.581 -6.836 -7.972 851 HG23 ILE 108 3HG2 ILE 108 0.322 -5.091 -8.018 852 HD11 ILE 108 3HD1 ILE 108 1.258 -3.208 -5.954 853 HD12 ILE 108 1HD1 ILE 108 -0.308 -2.575 -5.448 854 HD13 ILE 108 2HD1 ILE 108 -0.138 -3.357 -7.020 855 H SER 109 HN SER 109 -0.548 -9.097 -6.778 856 HA SER 109 HA SER 109 2.069 -10.416 -6.807 857 HB2 SER 109 2HB SER 109 0.116 -11.809 -6.205 858 HB3 SER 109 1HB SER 109 -0.619 -11.438 -7.764 859 HG SER 109 HG SER 109 1.751 -12.916 -7.249 860 H LEU 110 HN LEU 110 3.377 -9.996 -8.444 861 HA LEU 110 HA LEU 110 2.268 -9.050 -10.975 862 HB2 LEU 110 2HB LEU 110 4.617 -8.478 -9.491 863 HB3 LEU 110 1HB LEU 110 5.130 -9.231 -10.988 864 HG LEU 110 HG LEU 110 5.114 -6.812 -11.212 865 HD11 LEU 110 1HD1 LEU 110 3.668 -6.607 -13.188 866 HD12 LEU 110 2HD1 LEU 110 2.894 -8.135 -12.766 867 HD13 LEU 110 3HD1 LEU 110 4.604 -8.101 -13.197 868 HD21 LEU 110 3HD2 LEU 110 3.427 -6.281 -9.537 869 HD22 LEU 110 1HD2 LEU 110 2.173 -6.994 -10.555 870 HD23 LEU 110 2HD2 LEU 110 3.023 -5.545 -11.088 871 H ALA 111 HN ALA 111 2.121 -11.857 -9.996 872 HA ALA 111 HA ALA 111 3.839 -13.528 -11.445 873 HB1 ALA 111 1HB ALA 111 2.381 -14.363 -9.672 874 HB2 ALA 111 2HB ALA 111 2.115 -15.247 -11.176 875 HB3 ALA 111 3HB ALA 111 0.963 -14.015 -10.662 876 H GLU 112 HN GLU 112 0.933 -11.794 -12.325 877 HA GLU 112 HA GLU 112 1.450 -12.414 -15.155 878 HB2 GLU 112 2HB GLU 112 -0.537 -13.681 -14.197 879 HB3 GLU 112 1HB GLU 112 -1.304 -12.126 -13.920 880 HG2 GLU 112 2HG GLU 112 -2.222 -12.885 -15.913 881 HG3 GLU 112 1HG GLU 112 -0.996 -11.726 -16.420 882 HA PRO 113 HA PRO 113 0.982 -7.952 -15.168 883 HB2 PRO 113 2HB PRO 113 1.797 -7.462 -17.666 884 HB3 PRO 113 1HB PRO 113 2.920 -8.055 -16.437 885 HG2 PRO 113 2HG PRO 113 1.658 -9.502 -18.705 886 HG3 PRO 113 1HG PRO 113 3.242 -9.748 -17.954 887 HD2 PRO 113 2HD PRO 113 0.876 -11.231 -17.470 888 HD3 PRO 113 1HD PRO 113 2.401 -11.330 -16.570 889 H GLN 114 HN GLN 114 -0.806 -10.090 -17.098 890 HA GLN 114 HA GLN 114 -2.380 -8.119 -18.472 891 HB2 GLN 114 2HB GLN 114 -3.017 -11.044 -18.032 892 HB3 GLN 114 1HB GLN 114 -3.690 -9.990 -19.266 893 HG2 GLN 114 2HG GLN 114 -1.478 -9.793 -20.292 894 HG3 GLN 114 1HG GLN 114 -0.826 -10.881 -19.066 895 HE21 GLN 114 1HE2 GLN 114 -2.775 -10.596 -21.905 896 HE22 GLN 114 2HE2 GLN 114 -2.900 -12.296 -22.240 897 H LYS 115 HN LYS 115 -2.510 -9.897 -15.503 898 HA LYS 115 HA LYS 115 -4.700 -8.276 -14.543 899 HB2 LYS 115 2HB LYS 115 -4.949 -11.214 -15.044 900 HB3 LYS 115 1HB LYS 115 -5.740 -10.526 -13.636 901 HG2 LYS 115 2HG LYS 115 -6.173 -9.614 -16.473 902 HG3 LYS 115 1HG LYS 115 -7.228 -10.718 -15.587 903 HD2 LYS 115 2HD LYS 115 -7.636 -8.969 -13.914 904 HD3 LYS 115 1HD LYS 115 -6.592 -7.869 -14.813 905 HE2 LYS 115 2HE LYS 115 -8.103 -8.020 -16.736 906 HE3 LYS 115 1HE LYS 115 -9.148 -9.108 -15.824 907 HZ1 LYS 115 3HZ LYS 115 -9.967 -6.835 -15.782 908 HZ2 LYS 115 1HZ LYS 115 -8.518 -6.298 -15.084 909 HZ3 LYS 115 2HZ LYS 115 -9.540 -7.344 -14.226 910 HA PRO 116 HA PRO 116 -1.523 -9.245 -11.340 911 HB2 PRO 116 2HB PRO 116 -1.308 -6.702 -10.421 912 HB3 PRO 116 1HB PRO 116 -0.367 -7.306 -11.788 913 HG2 PRO 116 2HG PRO 116 -2.838 -5.630 -11.785 914 HG3 PRO 116 1HG PRO 116 -1.398 -5.506 -12.810 915 HD2 PRO 116 2HD PRO 116 -3.727 -6.664 -13.628 916 HD3 PRO 116 1HD PRO 116 -2.133 -7.128 -14.254 917 H VAL 117 HN VAL 117 -2.245 -9.964 -9.416 918 HA VAL 117 HA VAL 117 -4.889 -9.122 -8.544 919 HB VAL 117 HB VAL 117 -3.067 -11.204 -7.323 920 HG11 VAL 117 1HG1 VAL 117 -5.140 -12.035 -6.268 921 HG12 VAL 117 2HG1 VAL 117 -6.013 -10.658 -6.938 922 HG13 VAL 117 3HG1 VAL 117 -4.731 -10.399 -5.755 923 HG21 VAL 117 3HG2 VAL 117 -5.334 -11.562 -9.290 924 HG22 VAL 117 1HG2 VAL 117 -4.442 -12.862 -8.503 925 HG23 VAL 117 2HG2 VAL 117 -3.619 -11.786 -9.632 926 H CYS 118 HN CYS 118 -5.150 -7.537 -7.146 927 HA CYS 118 HA CYS 118 -3.008 -6.970 -5.209 928 HB2 CYS 118 2HB CYS 118 -3.431 -5.158 -6.866 929 HB3 CYS 118 1HB CYS 118 -5.090 -5.058 -6.294 930 HG CYS 118 HG CYS 118 -3.094 -4.741 -3.711 931 H LYS 119 HN LYS 119 -3.523 -7.546 -3.182 932 HA LYS 119 HA LYS 119 -6.313 -7.184 -2.321 933 HB2 LYS 119 2HB LYS 119 -4.580 -9.575 -1.692 934 HB3 LYS 119 1HB LYS 119 -6.125 -9.237 -0.936 935 HG2 LYS 119 2HG LYS 119 -7.196 -9.389 -3.164 936 HG3 LYS 119 1HG LYS 119 -5.634 -9.868 -3.836 937 HD2 LYS 119 2HD LYS 119 -5.582 -11.791 -2.313 938 HD3 LYS 119 1HD LYS 119 -7.153 -11.315 -1.668 939 HE2 LYS 119 2HE LYS 119 -8.145 -11.605 -3.892 940 HE3 LYS 119 1HE LYS 119 -6.574 -12.105 -4.520 941 HZ1 LYS 119 3HZ LYS 119 -6.619 -13.947 -2.892 942 HZ2 LYS 119 1HZ LYS 119 -7.868 -14.042 -4.040 943 HZ3 LYS 119 2HZ LYS 119 -8.200 -13.504 -2.465 944 H SER 120 HN SER 120 -6.496 -7.195 0.087 945 HA SER 120 HA SER 120 -4.121 -5.938 1.281 946 HB2 SER 120 2HB SER 120 -6.194 -4.493 1.022 947 HB3 SER 120 1HB SER 120 -6.991 -5.568 2.170 948 HG SER 120 HG SER 120 -4.512 -4.457 2.855 949 H PHE 121 HN PHE 121 -3.349 -6.748 3.155 950 HA PHE 121 HA PHE 121 -4.908 -8.820 4.529 951 HB2 PHE 121 2HB PHE 121 -1.971 -9.059 3.822 952 HB3 PHE 121 1HB PHE 121 -2.875 -10.188 4.818 953 HD1 PHE 121 1HD PHE 121 -4.610 -11.616 3.806 954 HD2 PHE 121 2HD PHE 121 -2.103 -9.112 1.449 955 HE1 PHE 121 1HE PHE 121 -5.219 -12.903 1.799 956 HE2 PHE 121 2HE PHE 121 -2.708 -10.394 -0.564 957 HZ PHE 121 HZ PHE 121 -4.269 -12.294 -0.386 958 H LEU 122 HN LEU 122 -4.974 -8.501 6.660 959 HA LEU 122 HA LEU 122 -3.206 -6.524 7.855 960 HB2 LEU 122 2HB LEU 122 -5.380 -8.221 9.104 961 HB3 LEU 122 1HB LEU 122 -4.517 -6.922 9.906 962 HG LEU 122 HG LEU 122 -6.346 -6.594 7.527 963 HD11 LEU 122 1HD1 LEU 122 -7.547 -7.178 9.572 964 HD12 LEU 122 2HD1 LEU 122 -7.847 -5.504 9.108 965 HD13 LEU 122 3HD1 LEU 122 -6.733 -5.867 10.428 966 HD21 LEU 122 3HD2 LEU 122 -4.968 -4.519 9.231 967 HD22 LEU 122 1HD2 LEU 122 -6.079 -4.210 7.898 968 HD23 LEU 122 2HD2 LEU 122 -4.512 -4.956 7.584 969 H ILE 123 HN ILE 123 -1.206 -7.234 8.254 970 HA ILE 123 HA ILE 123 -0.853 -10.046 8.956 971 HB ILE 123 HB ILE 123 1.272 -8.014 8.244 972 HG12 ILE 123 2HG1 ILE 123 0.010 -10.177 6.538 973 HG13 ILE 123 1HG1 ILE 123 -0.274 -8.446 6.367 974 HG21 ILE 123 1HG2 ILE 123 2.132 -9.837 9.592 975 HG22 ILE 123 2HG2 ILE 123 2.696 -9.997 7.929 976 HG23 ILE 123 3HG2 ILE 123 1.383 -11.018 8.518 977 HD11 ILE 123 3HD1 ILE 123 1.287 -9.294 4.699 978 HD12 ILE 123 1HD1 ILE 123 2.369 -9.839 5.980 979 HD13 ILE 123 2HD1 ILE 123 2.056 -8.117 5.762 980 H LYS 124 HN LYS 124 -1.006 -10.427 11.017 981 HA LYS 124 HA LYS 124 0.230 -8.578 12.936 982 HB2 LYS 124 2HB LYS 124 -1.791 -10.789 13.400 983 HB3 LYS 124 1HB LYS 124 -1.176 -9.688 14.623 984 HG2 LYS 124 2HG LYS 124 -2.646 -8.704 12.200 985 HG3 LYS 124 1HG LYS 124 -3.486 -9.219 13.664 986 HD2 LYS 124 2HD LYS 124 -2.247 -7.560 14.962 987 HD3 LYS 124 1HD LYS 124 -1.394 -7.051 13.502 988 HE2 LYS 124 2HE LYS 124 -3.381 -6.211 12.525 989 HE3 LYS 124 1HE LYS 124 -4.390 -6.994 13.740 990 HZ1 LYS 124 3HZ LYS 124 -3.520 -5.507 15.404 991 HZ2 LYS 124 1HZ LYS 124 -4.161 -4.609 14.121 992 HZ3 LYS 124 2HZ LYS 124 -2.480 -4.783 14.281 993 H LYS 125 HN LYS 125 0.713 -10.182 15.022 994 HA LYS 125 HA LYS 125 2.857 -11.882 14.076 995 HB2 LYS 125 2HB LYS 125 3.007 -10.321 16.073 996 HB3 LYS 125 1HB LYS 125 1.951 -11.433 16.921 997 HG2 LYS 125 2HG LYS 125 4.450 -12.485 15.690 998 HG3 LYS 125 1HG LYS 125 4.550 -11.576 17.198 999 HD2 LYS 125 2HD LYS 125 2.545 -13.770 16.982 1000 HD3 LYS 125 1HD LYS 125 4.244 -14.200 17.184 1001 HE2 LYS 125 2HE LYS 125 3.044 -14.068 19.328 1002 HE3 LYS 125 1HE LYS 125 4.363 -12.907 19.227 1003 HZ1 LYS 125 3HZ LYS 125 2.751 -11.173 18.726 1004 HZ2 LYS 125 1HZ LYS 125 2.386 -11.926 20.198 1005 HZ3 LYS 125 2HZ LYS 125 1.479 -12.294 18.814 1006 H ASP 126 HN ASP 126 -0.064 -12.139 15.989 1007 HA ASP 126 HA ASP 126 0.143 -15.002 16.241 1008 HB2 ASP 126 2HB ASP 126 -2.086 -13.142 17.087 1009 HB3 ASP 126 1HB ASP 126 -1.886 -14.818 17.593 1010 H GLY 127 HN GLY 127 -0.848 -13.174 13.692 1011 HA2 GLY 127 2HA GLY 127 -1.854 -15.245 12.202 1012 HA3 GLY 127 1HA GLY 127 -3.260 -14.557 12.994 1013 H VAL 128 HN VAL 128 -3.297 -14.552 10.344 1014 HA VAL 128 HA VAL 128 -2.882 -11.726 9.665 1015 HB VAL 128 HB VAL 128 -1.259 -13.179 8.462 1016 HG11 VAL 128 1HG1 VAL 128 -3.711 -14.382 7.191 1017 HG12 VAL 128 2HG1 VAL 128 -2.580 -15.202 8.270 1018 HG13 VAL 128 3HG1 VAL 128 -2.048 -14.660 6.677 1019 HG21 VAL 128 3HG2 VAL 128 -1.955 -11.074 7.469 1020 HG22 VAL 128 1HG2 VAL 128 -3.328 -11.871 6.701 1021 HG23 VAL 128 2HG2 VAL 128 -1.683 -12.287 6.219 1022 H ASP 129 HN ASP 129 -4.559 -10.738 8.515 1023 HA ASP 129 HA ASP 129 -6.998 -12.370 8.172 1024 HB2 ASP 129 2HB ASP 129 -7.113 -10.790 10.109 1025 HB3 ASP 129 1HB ASP 129 -6.888 -9.455 8.983 1026 H GLU 130 HN GLU 130 -8.212 -12.021 6.313 1027 HA GLU 130 HA GLU 130 -6.795 -10.609 4.201 1028 HB2 GLU 130 2HB GLU 130 -9.106 -12.544 4.038 1029 HB3 GLU 130 1HB GLU 130 -8.182 -11.918 2.689 1030 HG2 GLU 130 2HG GLU 130 -6.157 -13.002 3.692 1031 HG3 GLU 130 1HG GLU 130 -7.238 -13.776 4.848 1032 H GLU 131 HN GLU 131 -7.542 -8.805 3.285 1033 HA GLU 131 HA GLU 131 -10.325 -7.997 3.824 1034 HB2 GLU 131 2HB GLU 131 -8.702 -6.651 5.122 1035 HB3 GLU 131 1HB GLU 131 -7.901 -6.194 3.627 1036 HG2 GLU 131 2HG GLU 131 -9.369 -4.432 4.468 1037 HG3 GLU 131 1HG GLU 131 -9.875 -5.016 2.884 1038 H GLU 132 HN GLU 132 -11.415 -6.914 2.141 1039 HA GLU 132 HA GLU 132 -10.295 -7.558 -0.492 1040 HB2 GLU 132 2HB GLU 132 -12.503 -8.503 0.092 1041 HB3 GLU 132 1HB GLU 132 -13.141 -6.875 0.270 1042 HG2 GLU 132 2HG GLU 132 -12.684 -6.439 -2.093 1043 HG3 GLU 132 1HG GLU 132 -12.056 -8.075 -2.268 1044 H ILE 133 HN ILE 133 -10.262 -6.076 -2.171 1045 HA ILE 133 HA ILE 133 -10.137 -3.286 -1.300 1046 HB ILE 133 HB ILE 133 -8.901 -4.716 -3.650 1047 HG12 ILE 133 2HG1 ILE 133 -7.721 -3.298 -1.250 1048 HG13 ILE 133 1HG1 ILE 133 -7.785 -5.039 -1.490 1049 HG21 ILE 133 1HG2 ILE 133 -9.618 -2.515 -4.396 1050 HG22 ILE 133 2HG2 ILE 133 -7.861 -2.573 -4.257 1051 HG23 ILE 133 3HG2 ILE 133 -8.817 -1.766 -3.014 1052 HD11 ILE 133 3HD1 ILE 133 -6.316 -4.814 -3.433 1053 HD12 ILE 133 1HD1 ILE 133 -5.573 -4.195 -1.959 1054 HD13 ILE 133 2HD1 ILE 133 -6.230 -3.075 -3.153 1055 H ILE 134 HN ILE 134 -11.428 -1.761 -2.081 1056 HA ILE 134 HA ILE 134 -13.268 -2.469 -4.271 1057 HB ILE 134 HB ILE 134 -13.595 -0.305 -2.180 1058 HG12 ILE 134 2HG1 ILE 134 -13.826 -2.525 -1.187 1059 HG13 ILE 134 1HG1 ILE 134 -15.388 -1.719 -1.265 1060 HG21 ILE 134 1HG2 ILE 134 -15.875 -0.098 -3.054 1061 HG22 ILE 134 2HG2 ILE 134 -15.498 -1.280 -4.307 1062 HG23 ILE 134 3HG2 ILE 134 -14.664 0.274 -4.282 1063 HD11 ILE 134 3HD1 ILE 134 -15.597 -4.051 -1.850 1064 HD12 ILE 134 1HD1 ILE 134 -14.398 -3.864 -3.129 1065 HD13 ILE 134 2HD1 ILE 134 -15.953 -3.041 -3.252 1066 H LEU 135 HN LEU 135 -12.996 -1.422 -6.158 1067 HA LEU 135 HA LEU 135 -11.072 0.779 -6.222 1068 HB2 LEU 135 2HB LEU 135 -12.189 -0.963 -8.413 1069 HB3 LEU 135 1HB LEU 135 -11.094 0.379 -8.690 1070 HG LEU 135 HG LEU 135 -10.461 -2.091 -7.074 1071 HD11 LEU 135 1HD1 LEU 135 -9.497 -1.220 -9.796 1072 HD12 LEU 135 2HD1 LEU 135 -10.648 -2.518 -9.481 1073 HD13 LEU 135 3HD1 LEU 135 -8.982 -2.662 -8.919 1074 HD21 LEU 135 3HD2 LEU 135 -9.305 -0.087 -6.260 1075 HD22 LEU 135 1HD2 LEU 135 -8.709 0.229 -7.888 1076 HD23 LEU 135 2HD2 LEU 135 -8.188 -1.217 -7.022 1077 H LYS 136 HN LYS 136 -11.769 2.784 -6.302 1078 HA LYS 136 HA LYS 136 -14.351 3.348 -7.612 1079 HB2 LYS 136 2HB LYS 136 -12.854 4.871 -5.482 1080 HB3 LYS 136 1HB LYS 136 -14.201 5.554 -6.372 1081 HG2 LYS 136 2HG LYS 136 -15.516 3.504 -5.532 1082 HG3 LYS 136 1HG LYS 136 -14.196 3.323 -4.376 1083 HD2 LYS 136 2HD LYS 136 -16.018 5.707 -4.708 1084 HD3 LYS 136 1HD LYS 136 -15.947 4.603 -3.336 1085 HE2 LYS 136 2HE LYS 136 -13.741 5.382 -2.761 1086 HE3 LYS 136 1HE LYS 136 -13.671 6.379 -4.213 1087 HZ1 LYS 136 3HZ LYS 136 -15.462 6.754 -1.868 1088 HZ2 LYS 136 1HZ LYS 136 -15.594 7.643 -3.310 1089 HZ3 LYS 136 2HZ LYS 136 -14.192 7.764 -2.365 1090 H GLU 137 HN GLU 137 -14.353 5.698 -8.512 1091 HA GLU 137 HA GLU 137 -11.853 6.183 -9.965 1092 HB2 GLU 137 2HB GLU 137 -14.268 6.027 -11.021 1093 HB3 GLU 137 1HB GLU 137 -14.390 7.688 -10.469 1094 HG2 GLU 137 2HG GLU 137 -13.704 7.646 -12.771 1095 HG3 GLU 137 1HG GLU 137 -12.383 8.249 -11.770 1096 H GLU 138 HN GLU 138 -13.958 7.306 -7.584 1097 HA GLU 138 HA GLU 138 -12.791 9.962 -7.370 1098 HB2 GLU 138 2HB GLU 138 -14.533 10.109 -5.476 1099 HB3 GLU 138 1HB GLU 138 -15.127 10.025 -7.131 1100 HG2 GLU 138 2HG GLU 138 -15.680 7.727 -6.905 1101 HG3 GLU 138 1HG GLU 138 -14.860 7.622 -5.348 1102 H LEU 139 HN LEU 139 -11.726 10.692 -5.535 1103 HA LEU 139 HA LEU 139 -10.249 8.721 -4.043 1104 HB2 LEU 139 2HB LEU 139 -10.401 11.708 -3.589 1105 HB3 LEU 139 1HB LEU 139 -9.145 10.623 -3.032 1106 HG LEU 139 HG LEU 139 -9.683 11.270 -5.931 1107 HD11 LEU 139 1HD1 LEU 139 -8.884 13.221 -4.687 1108 HD12 LEU 139 2HD1 LEU 139 -7.666 12.627 -5.814 1109 HD13 LEU 139 3HD1 LEU 139 -7.518 12.277 -4.091 1110 HD21 LEU 139 3HD2 LEU 139 -7.422 9.790 -4.591 1111 HD22 LEU 139 1HD2 LEU 139 -7.500 10.212 -6.300 1112 HD23 LEU 139 2HD2 LEU 139 -8.668 9.080 -5.617 1113 H GLU 140 HN GLU 140 -10.111 10.004 -1.504 1114 HA GLU 140 HA GLU 140 -12.661 9.395 -0.314 1115 HB2 GLU 140 2HB GLU 140 -10.341 9.151 0.798 1116 HB3 GLU 140 1HB GLU 140 -10.412 10.891 1.038 1117 HG2 GLU 140 2HG GLU 140 -12.629 9.125 2.000 1118 HG3 GLU 140 1HG GLU 140 -11.153 9.310 2.940 1119 H HIS 141 HN HIS 141 -13.852 10.784 -1.703 1120 HA HIS 141 HA HIS 141 -13.970 13.545 -0.763 1121 HB2 HIS 141 2HB HIS 141 -12.492 13.293 -2.866 1122 HB3 HIS 141 1HB HIS 141 -13.988 12.927 -3.716 1123 HD1 HIS 141 1HD HIS 141 -12.183 15.714 -1.973 1124 HD2 HIS 141 2HD HIS 141 -15.609 15.121 -4.257 1125 HE1 HIS 141 1HE HIS 141 -13.004 18.017 -2.586 1126 HE2 HIS 141 2HE HIS 141 -15.146 17.636 -3.864 1127 H HIS 142 HN HIS 142 -16.001 13.889 -0.216 1128 HA HIS 142 HA HIS 142 -18.020 11.983 -0.941 1129 HB2 HIS 142 2HB HIS 142 -18.407 14.538 0.627 1130 HB3 HIS 142 1HB HIS 142 -19.433 13.107 0.640 1131 HD1 HIS 142 1HD HIS 142 -17.899 14.439 3.140 1132 HD2 HIS 142 2HD HIS 142 -16.807 11.001 1.073 1133 HE1 HIS 142 1HE HIS 142 -16.420 13.143 4.705 1134 HE2 HIS 142 2HE HIS 142 -15.523 11.254 3.296 1135 H HIS 143 HN HIS 143 -18.847 12.056 -2.870 1136 HA HIS 143 HA HIS 143 -19.961 12.713 -4.723 1137 HB2 HIS 143 2HB HIS 143 -21.196 14.179 -2.874 1138 HB3 HIS 143 1HB HIS 143 -20.405 15.496 -3.732 1139 HD1 HIS 143 1HD HIS 143 -22.085 16.532 -5.247 1140 HD2 HIS 143 2HD HIS 143 -22.427 12.388 -5.134 1141 HE1 HIS 143 1HE HIS 143 -23.896 15.954 -6.893 1142 HE2 HIS 143 2HE HIS 143 -24.194 13.459 -6.690 1143 H HIS 144 HN HIS 144 -19.770 14.320 -6.591 1144 HA HIS 144 HA HIS 144 -18.453 15.359 -8.127 1145 HB2 HIS 144 2HB HIS 144 -18.193 17.166 -6.459 1146 HB3 HIS 144 1HB HIS 144 -16.850 16.301 -5.728 1147 HD1 HIS 144 1HD HIS 144 -14.626 16.135 -7.234 1148 HD2 HIS 144 2HD HIS 144 -17.528 18.802 -8.562 1149 HE1 HIS 144 1HE HIS 144 -13.451 17.673 -8.835 1150 HE2 HIS 144 2HE HIS 144 -15.259 19.151 -9.762 1151 H HIS 145 HN HIS 145 -17.954 13.155 -8.752 1152 HA HIS 145 HA HIS 145 -15.243 12.331 -8.001 1153 HB2 HIS 145 2HB HIS 145 -15.953 10.138 -9.223 1154 HB3 HIS 145 1HB HIS 145 -16.476 10.447 -7.578 1155 HD1 HIS 145 1HD HIS 145 -18.708 9.507 -7.329 1156 HD2 HIS 145 2HD HIS 145 -18.258 11.411 -11.006 1157 HE1 HIS 145 1HE HIS 145 -20.945 9.328 -8.472 1158 HE2 HIS 145 2HE HIS 145 -20.639 10.419 -10.728 1159 H HIS 146 HN HIS 146 -14.548 14.077 -9.357 1160 HA HIS 146 HA HIS 146 -13.153 13.199 -11.530 1161 HB2 HIS 146 2HB HIS 146 -15.413 13.059 -12.674 1162 HB3 HIS 146 1HB HIS 146 -15.529 14.809 -12.514 1163 HD1 HIS 146 1HD HIS 146 -14.220 12.180 -14.684 1164 HD2 HIS 146 2HD HIS 146 -13.437 16.216 -14.008 1165 HE1 HIS 146 1HE HIS 146 -12.872 12.959 -16.659 1166 HE2 HIS 146 2HE HIS 146 -12.279 15.349 -16.154 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -14.097 -1.820 4.753 2 H2 MET 1 H2 MET 1 -13.145 -2.618 5.907 3 H3 MET 1 H3 MET 1 -14.405 -3.444 5.144 4 HA MET 1 HA MET 1 -12.168 -4.023 4.323 5 HB2 MET 1 2HB MET 1 -12.771 -4.009 1.980 6 HB3 MET 1 1HB MET 1 -14.199 -4.345 2.943 7 HG2 MET 1 2HG MET 1 -13.548 -1.625 1.836 8 HG3 MET 1 1HG MET 1 -14.540 -2.816 1.008 9 HE1 MET 1 2HE MET 1 -17.164 -0.168 2.139 10 HE2 MET 1 3HE MET 1 -16.468 -1.062 0.784 11 HE3 MET 1 1HE MET 1 -15.501 0.140 1.632 12 H ILE 2 HN ILE 2 -11.162 -2.963 1.946 13 HA ILE 2 HA ILE 2 -10.211 -0.314 2.795 14 HB ILE 2 HB ILE 2 -8.347 -1.821 2.859 15 HG12 ILE 2 2HG1 ILE 2 -8.181 -0.238 0.284 16 HG13 ILE 2 1HG1 ILE 2 -7.982 0.450 1.894 17 HG21 ILE 2 1HG2 ILE 2 -7.627 -3.120 0.916 18 HG22 ILE 2 2HG2 ILE 2 -9.060 -2.587 0.037 19 HG23 ILE 2 3HG2 ILE 2 -9.233 -3.599 1.472 20 HD11 ILE 2 3HD1 ILE 2 -6.223 -1.618 0.596 21 HD12 ILE 2 1HD1 ILE 2 -6.035 -1.007 2.240 22 HD13 ILE 2 2HD1 ILE 2 -5.839 0.081 0.869 23 H THR 3 HN THR 3 -10.577 1.337 1.481 24 HA THR 3 HA THR 3 -11.713 0.737 -1.168 25 HB THR 3 HB THR 3 -12.112 3.270 0.435 26 HG1 THR 3 1HG THR 3 -13.070 1.689 1.668 27 HG21 THR 3 3HG2 THR 3 -13.653 2.051 -1.859 28 HG22 THR 3 1HG2 THR 3 -12.564 3.433 -1.968 29 HG23 THR 3 2HG2 THR 3 -14.054 3.556 -1.032 30 H LEU 4 HN LEU 4 -10.494 1.317 -2.886 31 HA LEU 4 HA LEU 4 -9.009 3.807 -2.764 32 HB2 LEU 4 2HB LEU 4 -6.964 2.771 -3.740 33 HB3 LEU 4 1HB LEU 4 -7.271 2.359 -2.071 34 HG LEU 4 HG LEU 4 -8.379 0.213 -3.145 35 HD11 LEU 4 1HD1 LEU 4 -6.360 1.042 -5.227 36 HD12 LEU 4 2HD1 LEU 4 -8.107 0.940 -5.457 37 HD13 LEU 4 3HD1 LEU 4 -7.170 -0.521 -5.135 38 HD21 LEU 4 3HD2 LEU 4 -6.510 0.212 -1.588 39 HD22 LEU 4 1HD2 LEU 4 -5.402 0.627 -2.896 40 HD23 LEU 4 2HD2 LEU 4 -6.230 -0.931 -2.901 41 H THR 5 HN THR 5 -8.076 4.326 -4.988 42 HA THR 5 HA THR 5 -10.298 3.804 -6.829 43 HB THR 5 HB THR 5 -9.752 5.838 -7.942 44 HG1 THR 5 1HG THR 5 -7.754 6.946 -6.798 45 HG21 THR 5 3HG2 THR 5 -9.782 7.495 -6.125 46 HG22 THR 5 1HG2 THR 5 -9.349 6.231 -4.975 47 HG23 THR 5 2HG2 THR 5 -10.899 6.166 -5.816 48 H LYS 6 HN LYS 6 -9.807 3.655 -9.139 49 HA LYS 6 HA LYS 6 -7.894 1.735 -9.825 50 HB2 LYS 6 2HB LYS 6 -9.767 3.496 -11.237 51 HB3 LYS 6 1HB LYS 6 -8.324 3.123 -12.169 52 HG2 LYS 6 2HG LYS 6 -9.487 0.782 -10.891 53 HG3 LYS 6 1HG LYS 6 -10.586 1.582 -12.016 54 HD2 LYS 6 2HD LYS 6 -9.268 -0.128 -13.150 55 HD3 LYS 6 1HD LYS 6 -8.872 1.478 -13.761 56 HE2 LYS 6 2HE LYS 6 -6.904 1.495 -12.234 57 HE3 LYS 6 1HE LYS 6 -7.274 -0.177 -11.810 58 HZ1 LYS 6 3HZ LYS 6 -5.567 0.012 -13.547 59 HZ2 LYS 6 1HZ LYS 6 -6.683 0.790 -14.559 60 HZ3 LYS 6 2HZ LYS 6 -6.945 -0.821 -14.095 61 H LYS 7 HN LYS 7 -7.779 5.251 -9.873 62 HA LYS 7 HA LYS 7 -5.354 5.616 -11.195 63 HB2 LYS 7 2HB LYS 7 -7.102 7.333 -10.632 64 HB3 LYS 7 1HB LYS 7 -6.541 7.292 -8.972 65 HG2 LYS 7 2HG LYS 7 -4.491 7.811 -11.012 66 HG3 LYS 7 1HG LYS 7 -5.714 9.058 -10.783 67 HD2 LYS 7 2HD LYS 7 -5.218 9.125 -8.396 68 HD3 LYS 7 1HD LYS 7 -4.015 7.853 -8.605 69 HE2 LYS 7 2HE LYS 7 -2.692 9.310 -10.029 70 HE3 LYS 7 1HE LYS 7 -3.915 10.574 -9.901 71 HZ1 LYS 7 3HZ LYS 7 -3.437 10.886 -7.637 72 HZ2 LYS 7 1HZ LYS 7 -1.926 10.789 -8.396 73 HZ3 LYS 7 2HZ LYS 7 -2.524 9.456 -7.532 74 H GLN 8 HN GLN 8 -6.069 5.171 -7.726 75 HA GLN 8 HA GLN 8 -3.406 5.370 -6.800 76 HB2 GLN 8 2HB GLN 8 -5.580 3.619 -5.619 77 HB3 GLN 8 1HB GLN 8 -4.183 4.277 -4.784 78 HG2 GLN 8 2HG GLN 8 -6.623 5.717 -5.757 79 HG3 GLN 8 1HG GLN 8 -6.040 5.540 -4.110 80 HE21 GLN 8 1HE2 GLN 8 -4.188 6.729 -3.473 81 HE22 GLN 8 2HE2 GLN 8 -3.748 8.177 -4.306 82 H MET 9 HN MET 9 -5.329 2.579 -7.865 83 HA MET 9 HA MET 9 -3.376 0.613 -7.432 84 HB2 MET 9 2HB MET 9 -5.702 0.060 -7.910 85 HB3 MET 9 1HB MET 9 -5.556 0.733 -9.527 86 HG2 MET 9 2HG MET 9 -3.996 -0.988 -10.153 87 HG3 MET 9 1HG MET 9 -3.992 -1.627 -8.511 88 HE1 MET 9 3HE MET 9 -7.622 -3.018 -8.156 89 HE2 MET 9 1HE MET 9 -7.061 -1.409 -7.706 90 HE3 MET 9 2HE MET 9 -6.052 -2.818 -7.378 91 H GLU 10 HN GLU 10 -4.056 2.615 -10.283 92 HA GLU 10 HA GLU 10 -2.070 1.621 -11.964 93 HB2 GLU 10 2HB GLU 10 -3.484 4.263 -11.706 94 HB3 GLU 10 1HB GLU 10 -2.290 3.989 -12.948 95 HG2 GLU 10 2HG GLU 10 -4.863 2.505 -12.558 96 HG3 GLU 10 1HG GLU 10 -4.463 3.622 -13.862 97 H GLU 11 HN GLU 11 -1.985 4.191 -9.524 98 HA GLU 11 HA GLU 11 0.595 5.123 -9.971 99 HB2 GLU 11 2HB GLU 11 -1.279 5.066 -7.660 100 HB3 GLU 11 1HB GLU 11 0.375 5.531 -7.359 101 HG2 GLU 11 2HG GLU 11 0.082 7.223 -9.234 102 HG3 GLU 11 1HG GLU 11 -1.641 6.868 -9.119 103 H MET 12 HN MET 12 -0.557 2.486 -7.910 104 HA MET 12 HA MET 12 2.027 1.770 -6.956 105 HB2 MET 12 2HB MET 12 -0.530 0.156 -7.083 106 HB3 MET 12 1HB MET 12 0.914 -0.325 -6.206 107 HG2 MET 12 2HG MET 12 0.706 1.709 -4.825 108 HG3 MET 12 1HG MET 12 -0.797 2.088 -5.663 109 HE1 MET 12 3HE MET 12 -3.087 -0.911 -4.597 110 HE2 MET 12 1HE MET 12 -2.040 -0.872 -6.014 111 HE3 MET 12 2HE MET 12 -2.963 0.560 -5.560 112 H LEU 13 HN LEU 13 -0.069 0.489 -9.510 113 HA LEU 13 HA LEU 13 1.525 -1.660 -10.309 114 HB2 LEU 13 2HB LEU 13 -0.468 0.020 -11.810 115 HB3 LEU 13 1HB LEU 13 0.306 -1.376 -12.526 116 HG LEU 13 HG LEU 13 -1.496 -1.382 -10.108 117 HD11 LEU 13 1HD1 LEU 13 -2.992 -2.666 -11.548 118 HD12 LEU 13 2HD1 LEU 13 -1.866 -2.470 -12.891 119 HD13 LEU 13 3HD1 LEU 13 -2.676 -1.061 -12.205 120 HD21 LEU 13 3HD2 LEU 13 -1.288 -3.813 -10.180 121 HD22 LEU 13 1HD2 LEU 13 0.275 -3.053 -9.886 122 HD23 LEU 13 2HD2 LEU 13 -0.112 -3.683 -11.488 123 H ALA 14 HN ALA 14 1.411 1.657 -11.581 124 HA ALA 14 HA ALA 14 3.321 1.306 -13.607 125 HB1 ALA 14 1HB ALA 14 3.489 3.721 -13.660 126 HB2 ALA 14 2HB ALA 14 2.724 3.835 -12.075 127 HB3 ALA 14 3HB ALA 14 1.804 3.243 -13.458 128 H HIS 15 HN HIS 15 3.671 2.221 -10.213 129 HA HIS 15 HA HIS 15 6.467 2.715 -10.401 130 HB2 HIS 15 2HB HIS 15 4.903 3.542 -8.574 131 HB3 HIS 15 1HB HIS 15 4.994 1.922 -7.893 132 HD1 HIS 15 1HD HIS 15 7.042 5.007 -8.448 133 HD2 HIS 15 2HD HIS 15 7.403 1.280 -6.629 134 HE1 HIS 15 1HE HIS 15 9.161 5.109 -7.098 135 HE2 HIS 15 2HE HIS 15 9.200 2.947 -5.804 136 H ALA 16 HN ALA 16 4.522 -0.100 -9.570 137 HA ALA 16 HA ALA 16 6.609 -1.763 -8.670 138 HB1 ALA 16 1HB ALA 16 4.034 -2.599 -10.011 139 HB2 ALA 16 2HB ALA 16 4.220 -2.241 -8.294 140 HB3 ALA 16 3HB ALA 16 5.073 -3.609 -9.007 141 H ARG 17 HN ARG 17 5.099 -1.470 -11.880 142 HA ARG 17 HA ARG 17 6.774 -3.357 -13.143 143 HB2 ARG 17 2HB ARG 17 5.848 -2.619 -15.199 144 HB3 ARG 17 1HB ARG 17 4.566 -2.535 -14.000 145 HG2 ARG 17 2HG ARG 17 5.231 -0.077 -13.755 146 HG3 ARG 17 1HG ARG 17 6.093 -0.317 -15.273 147 HD2 ARG 17 2HD ARG 17 3.140 -0.678 -14.775 148 HD3 ARG 17 1HD ARG 17 3.906 0.575 -15.749 149 HE ARG 17 HE ARG 17 4.720 -1.562 -17.066 150 HH11 ARG 17 1HH1 ARG 17 1.550 -0.847 -15.729 151 HH12 ARG 17 2HH1 ARG 17 0.700 -1.789 -16.917 152 HH21 ARG 17 1HH2 ARG 17 3.573 -2.822 -18.629 153 HH22 ARG 17 2HH2 ARG 17 1.838 -2.936 -18.526 154 H GLN 18 HN GLN 18 7.099 0.051 -12.511 155 HA GLN 18 HA GLN 18 9.348 0.584 -14.121 156 HB2 GLN 18 2HB GLN 18 7.990 2.355 -13.190 157 HB3 GLN 18 1HB GLN 18 8.371 1.840 -11.555 158 HG2 GLN 18 2HG GLN 18 10.746 2.405 -11.991 159 HG3 GLN 18 1HG GLN 18 10.256 3.044 -13.560 160 HE21 GLN 18 1HE2 GLN 18 9.102 4.954 -13.663 161 HE22 GLN 18 2HE2 GLN 18 8.957 6.023 -12.308 162 H ALA 19 HN ALA 19 9.026 -0.509 -10.785 163 HA ALA 19 HA ALA 19 11.859 -0.242 -10.294 164 HB1 ALA 19 1HB ALA 19 9.729 -1.367 -8.491 165 HB2 ALA 19 2HB ALA 19 10.199 0.331 -8.578 166 HB3 ALA 19 3HB ALA 19 11.359 -0.878 -8.028 167 H LEU 20 HN LEU 20 10.195 -2.572 -11.873 168 HA LEU 20 HA LEU 20 11.064 -4.981 -10.760 169 HB2 LEU 20 2HB LEU 20 10.532 -4.238 -13.635 170 HB3 LEU 20 1HB LEU 20 10.836 -5.875 -13.094 171 HG LEU 20 HG LEU 20 8.504 -4.147 -12.262 172 HD11 LEU 20 1HD1 LEU 20 7.169 -5.768 -13.520 173 HD12 LEU 20 2HD1 LEU 20 8.646 -6.586 -14.031 174 HD13 LEU 20 3HD1 LEU 20 8.324 -4.932 -14.557 175 HD21 LEU 20 3HD2 LEU 20 9.144 -7.012 -11.570 176 HD22 LEU 20 1HD2 LEU 20 7.678 -6.139 -11.127 177 HD23 LEU 20 2HD2 LEU 20 9.235 -5.641 -10.465 178 HA PRO 21 HA PRO 21 11.737 -6.860 -11.275 179 HB2 PRO 21 2HB PRO 21 13.562 -8.732 -10.809 180 HB3 PRO 21 1HB PRO 21 13.199 -8.220 -12.462 181 HG2 PRO 21 2HG PRO 21 15.542 -7.568 -10.751 182 HG3 PRO 21 1HG PRO 21 15.458 -7.793 -12.505 183 HD2 PRO 21 2HD PRO 21 15.438 -5.336 -11.096 184 HD3 PRO 21 1HD PRO 21 15.134 -5.577 -12.826 185 H ASN 22 HN ASN 22 13.079 -4.724 -9.465 186 HA ASN 22 HA ASN 22 13.720 -6.185 -7.060 187 HB2 ASN 22 2HB ASN 22 13.262 -3.216 -7.466 188 HB3 ASN 22 1HB ASN 22 13.932 -3.961 -6.021 189 HD21 ASN 22 1HD2 ASN 22 15.073 -1.953 -7.785 190 HD22 ASN 22 2HD2 ASN 22 16.572 -2.603 -8.347 191 H GLU 23 HN GLU 23 12.424 -6.486 -5.289 192 HA GLU 23 HA GLU 23 9.623 -6.345 -5.568 193 HB2 GLU 23 2HB GLU 23 11.342 -6.670 -3.099 194 HB3 GLU 23 1HB GLU 23 9.591 -6.844 -3.107 195 HG2 GLU 23 2HG GLU 23 9.754 -8.699 -4.656 196 HG3 GLU 23 1HG GLU 23 11.503 -8.509 -4.731 197 H ALA 24 HN ALA 24 8.736 -4.409 -5.936 198 HA ALA 24 HA ALA 24 9.745 -2.020 -4.687 199 HB1 ALA 24 1HB ALA 24 7.352 -2.381 -6.485 200 HB2 ALA 24 2HB ALA 24 8.991 -2.010 -7.020 201 HB3 ALA 24 3HB ALA 24 8.101 -0.850 -6.034 202 H CYS 25 HN CYS 25 8.865 -0.850 -3.099 203 HA CYS 25 HA CYS 25 6.252 -1.619 -2.037 204 HB2 CYS 25 2HB CYS 25 8.759 -1.250 -0.383 205 HB3 CYS 25 1HB CYS 25 7.140 -1.458 0.273 206 HG CYS 25 HG CYS 25 8.870 -3.786 -1.542 207 H GLY 26 HN GLY 26 5.483 0.059 -0.447 208 HA2 GLY 26 2HA GLY 26 6.629 2.656 -0.432 209 HA3 GLY 26 1HA GLY 26 5.322 2.566 -1.608 210 H LEU 27 HN LEU 27 4.344 4.200 -0.138 211 HA LEU 27 HA LEU 27 2.963 2.834 2.080 212 HB2 LEU 27 2HB LEU 27 3.867 5.715 1.937 213 HB3 LEU 27 1HB LEU 27 2.843 5.057 3.196 214 HG LEU 27 HG LEU 27 5.692 4.219 2.648 215 HD11 LEU 27 1HD1 LEU 27 4.480 5.927 4.817 216 HD12 LEU 27 2HD1 LEU 27 5.595 6.454 3.557 217 HD13 LEU 27 3HD1 LEU 27 6.142 5.336 4.808 218 HD21 LEU 27 3HD2 LEU 27 4.352 2.390 3.548 219 HD22 LEU 27 1HD2 LEU 27 3.786 3.433 4.854 220 HD23 LEU 27 2HD2 LEU 27 5.490 2.985 4.757 221 H LEU 28 HN LEU 28 0.826 3.490 2.492 222 HA LEU 28 HA LEU 28 -0.477 4.854 0.232 223 HB2 LEU 28 2HB LEU 28 -1.553 2.675 2.030 224 HB3 LEU 28 1HB LEU 28 -2.494 3.519 0.816 225 HG LEU 28 HG LEU 28 -0.093 1.774 0.257 226 HD11 LEU 28 1HD1 LEU 28 -3.039 1.291 -0.154 227 HD12 LEU 28 2HD1 LEU 28 -1.992 0.469 1.003 228 HD13 LEU 28 3HD1 LEU 28 -1.740 0.244 -0.728 229 HD21 LEU 28 3HD2 LEU 28 -2.023 3.148 -1.610 230 HD22 LEU 28 1HD2 LEU 28 -0.742 2.032 -2.086 231 HD23 LEU 28 2HD2 LEU 28 -0.333 3.586 -1.360 232 H GLY 29 HN GLY 29 -1.612 6.632 0.686 233 HA2 GLY 29 2HA GLY 29 -2.155 7.193 3.534 234 HA3 GLY 29 1HA GLY 29 -1.561 8.421 2.424 235 H GLY 30 HN GLY 30 -3.918 8.633 3.945 236 HA2 GLY 30 2HA GLY 30 -5.662 9.778 2.206 237 HA3 GLY 30 1HA GLY 30 -6.155 8.089 2.214 238 H ARG 31 HN ARG 31 -8.041 8.222 3.256 239 HA ARG 31 HA ARG 31 -8.066 9.511 5.901 240 HB2 ARG 31 2HB ARG 31 -10.264 8.996 3.900 241 HB3 ARG 31 1HB ARG 31 -10.576 9.496 5.554 242 HG2 ARG 31 2HG ARG 31 -9.652 11.608 5.217 243 HG3 ARG 31 1HG ARG 31 -8.797 11.103 3.758 244 HD2 ARG 31 2HD ARG 31 -10.887 12.537 3.454 245 HD3 ARG 31 1HD ARG 31 -10.759 11.075 2.479 246 HE ARG 31 HE ARG 31 -12.330 11.139 4.975 247 HH11 ARG 31 1HH1 ARG 31 -12.033 10.486 1.531 248 HH12 ARG 31 2HH1 ARG 31 -13.579 9.677 1.426 249 HH21 ARG 31 1HH2 ARG 31 -14.347 10.053 4.843 250 HH22 ARG 31 2HH2 ARG 31 -14.897 9.445 3.305 251 H ARG 32 HN ARG 32 -8.777 8.343 7.664 252 HA ARG 32 HA ARG 32 -9.972 5.731 7.149 253 HB2 ARG 32 2HB ARG 32 -8.615 4.579 8.727 254 HB3 ARG 32 1HB ARG 32 -7.530 5.409 7.629 255 HG2 ARG 32 2HG ARG 32 -7.226 7.178 9.331 256 HG3 ARG 32 1HG ARG 32 -8.238 6.239 10.432 257 HD2 ARG 32 2HD ARG 32 -6.616 4.324 10.057 258 HD3 ARG 32 1HD ARG 32 -5.554 5.504 9.293 259 HE ARG 32 HE ARG 32 -6.301 6.493 11.805 260 HH11 ARG 32 1HH1 ARG 32 -4.375 3.900 10.433 261 HH12 ARG 32 2HH1 ARG 32 -3.364 3.747 11.836 262 HH21 ARG 32 1HH2 ARG 32 -4.982 6.283 13.633 263 HH22 ARG 32 2HH2 ARG 32 -3.700 5.103 13.651 264 H ASP 33 HN ASP 33 -11.663 5.284 8.427 265 HA ASP 33 HA ASP 33 -12.377 7.396 10.343 266 HB2 ASP 33 2HB ASP 33 -13.960 6.860 8.505 267 HB3 ASP 33 1HB ASP 33 -14.109 5.226 9.142 268 H GLY 34 HN GLY 34 -10.903 4.531 10.362 269 HA2 GLY 34 2HA GLY 34 -10.165 3.712 12.537 270 HA3 GLY 34 1HA GLY 34 -11.811 3.924 13.103 271 H ASP 35 HN ASP 35 -13.302 2.810 11.233 272 HA ASP 35 HA ASP 35 -12.611 -0.013 11.472 273 HB2 ASP 35 2HB ASP 35 -14.867 0.712 12.177 274 HB3 ASP 35 1HB ASP 35 -15.189 1.280 10.542 275 H ASP 36 HN ASP 36 -13.241 2.456 9.044 276 HA ASP 36 HA ASP 36 -12.237 0.572 7.012 277 HB2 ASP 36 2HB ASP 36 -14.738 1.419 6.946 278 HB3 ASP 36 1HB ASP 36 -14.016 2.802 6.165 279 H ARG 37 HN ARG 37 -11.366 1.651 5.130 280 HA ARG 37 HA ARG 37 -10.017 4.173 5.735 281 HB2 ARG 37 2HB ARG 37 -7.841 3.392 5.086 282 HB3 ARG 37 1HB ARG 37 -8.453 2.356 6.361 283 HG2 ARG 37 2HG ARG 37 -8.716 1.584 3.481 284 HG3 ARG 37 1HG ARG 37 -7.232 1.285 4.384 285 HD2 ARG 37 2HD ARG 37 -9.973 0.315 5.178 286 HD3 ARG 37 1HD ARG 37 -8.753 -0.657 4.357 287 HE ARG 37 HE ARG 37 -7.365 -0.004 6.462 288 HH11 ARG 37 1HH1 ARG 37 -10.741 -0.869 6.309 289 HH12 ARG 37 2HH1 ARG 37 -10.809 -1.447 7.945 290 HH21 ARG 37 1HH2 ARG 37 -7.424 -0.802 8.617 291 HH22 ARG 37 2HH2 ARG 37 -8.919 -1.418 9.263 292 H TRP 38 HN TRP 38 -9.550 5.468 3.999 293 HA TRP 38 HA TRP 38 -10.297 4.455 1.336 294 HB2 TRP 38 2HB TRP 38 -10.778 7.250 2.409 295 HB3 TRP 38 1HB TRP 38 -11.216 6.665 0.806 296 HD1 TRP 38 1HD TRP 38 -13.373 5.115 0.618 297 HE1 TRP 38 1HE TRP 38 -15.325 4.654 2.232 298 HE3 TRP 38 3HE TRP 38 -11.350 7.030 4.901 299 HZ2 TRP 38 2HZ TRP 38 -15.923 5.055 4.962 300 HZ3 TRP 38 3HZ TRP 38 -12.675 6.950 6.971 301 HH2 TRP 38 2HH TRP 38 -14.914 5.979 6.998 302 H VAL 39 HN VAL 39 -8.516 4.348 0.142 303 HA VAL 39 HA VAL 39 -6.177 5.920 0.800 304 HB VAL 39 HB VAL 39 -6.555 4.052 -1.550 305 HG11 VAL 39 1HG1 VAL 39 -4.689 5.563 -1.828 306 HG12 VAL 39 2HG1 VAL 39 -4.107 3.925 -1.523 307 HG13 VAL 39 3HG1 VAL 39 -4.070 5.129 -0.234 308 HG21 VAL 39 3HG2 VAL 39 -5.386 3.440 1.164 309 HG22 VAL 39 1HG2 VAL 39 -5.479 2.337 -0.210 310 HG23 VAL 39 2HG2 VAL 39 -6.955 2.895 0.576 311 H GLU 40 HN GLU 40 -6.198 7.997 0.220 312 HA GLU 40 HA GLU 40 -7.266 8.688 -2.431 313 HB2 GLU 40 2HB GLU 40 -6.833 10.433 -0.001 314 HB3 GLU 40 1HB GLU 40 -7.427 11.004 -1.553 315 HG2 GLU 40 2HG GLU 40 -9.374 9.485 -1.312 316 HG3 GLU 40 1HG GLU 40 -8.792 9.061 0.298 317 H ARG 41 HN ARG 41 -4.349 8.218 -0.840 318 HA ARG 41 HA ARG 41 -2.938 9.661 -2.953 319 HB2 ARG 41 2HB ARG 41 -3.232 11.081 -0.790 320 HB3 ARG 41 1HB ARG 41 -2.004 10.013 -0.123 321 HG2 ARG 41 2HG ARG 41 -0.984 12.027 -0.962 322 HG3 ARG 41 1HG ARG 41 -0.486 10.649 -1.946 323 HD2 ARG 41 2HD ARG 41 -2.206 11.238 -3.602 324 HD3 ARG 41 1HD ARG 41 -2.645 12.639 -2.628 325 HE ARG 41 HE ARG 41 0.094 12.802 -3.156 326 HH11 ARG 41 1HH1 ARG 41 -2.962 12.933 -4.880 327 HH12 ARG 41 2HH1 ARG 41 -2.338 13.935 -6.157 328 HH21 ARG 41 1HH2 ARG 41 0.905 14.141 -4.830 329 HH22 ARG 41 2HH2 ARG 41 -0.147 14.624 -6.133 330 H VAL 42 HN VAL 42 -1.069 8.660 -3.587 331 HA VAL 42 HA VAL 42 -0.227 6.314 -2.016 332 HB VAL 42 HB VAL 42 -0.007 6.735 -5.009 333 HG11 VAL 42 1HG1 VAL 42 0.810 4.422 -5.082 334 HG12 VAL 42 2HG1 VAL 42 0.821 4.376 -3.318 335 HG13 VAL 42 3HG1 VAL 42 1.898 5.478 -4.180 336 HG21 VAL 42 3HG2 VAL 42 -1.711 4.827 -3.413 337 HG22 VAL 42 1HG2 VAL 42 -1.585 4.871 -5.172 338 HG23 VAL 42 2HG2 VAL 42 -2.280 6.238 -4.303 339 H TYR 43 HN TYR 43 1.795 6.289 -1.285 340 HA TYR 43 HA TYR 43 3.705 8.268 -2.359 341 HB2 TYR 43 2HB TYR 43 3.434 7.174 0.451 342 HB3 TYR 43 1HB TYR 43 4.822 8.102 -0.096 343 HD1 TYR 43 1HD TYR 43 1.108 8.339 0.234 344 HD2 TYR 43 2HD TYR 43 4.820 10.414 0.141 345 HE1 TYR 43 1HE TYR 43 -0.040 10.415 0.887 346 HE2 TYR 43 2HE TYR 43 3.683 12.497 0.784 347 HH TYR 43 HH TYR 43 1.596 13.516 0.916 348 HA PRO 44 HA PRO 44 5.452 4.137 -3.153 349 HB2 PRO 44 2HB PRO 44 6.124 4.715 -5.784 350 HB3 PRO 44 1HB PRO 44 4.621 3.970 -5.246 351 HG2 PRO 44 2HG PRO 44 4.967 6.548 -6.412 352 HG3 PRO 44 1HG PRO 44 3.471 5.822 -5.808 353 HD2 PRO 44 2HD PRO 44 5.262 7.790 -4.519 354 HD3 PRO 44 1HD PRO 44 3.536 7.476 -4.241 355 H LEU 45 HN LEU 45 7.362 4.026 -2.114 356 HA LEU 45 HA LEU 45 9.548 5.806 -2.821 357 HB2 LEU 45 2HB LEU 45 9.225 3.658 -0.729 358 HB3 LEU 45 1HB LEU 45 10.771 4.415 -1.050 359 HG LEU 45 HG LEU 45 9.664 6.633 -0.500 360 HD11 LEU 45 1HD1 LEU 45 7.657 6.553 0.886 361 HD12 LEU 45 2HD1 LEU 45 7.527 4.816 0.611 362 HD13 LEU 45 3HD1 LEU 45 7.336 5.940 -0.734 363 HD21 LEU 45 3HD2 LEU 45 9.880 6.291 1.904 364 HD22 LEU 45 1HD2 LEU 45 11.178 5.485 1.024 365 HD23 LEU 45 2HD2 LEU 45 9.833 4.543 1.665 366 H ASN 46 HN ASN 46 11.765 4.679 -3.039 367 HA ASN 46 HA ASN 46 11.497 2.566 -5.047 368 HB2 ASN 46 2HB ASN 46 12.977 4.567 -5.454 369 HB3 ASN 46 1HB ASN 46 14.001 4.016 -4.134 370 HD21 ASN 46 1HD2 ASN 46 15.802 3.659 -5.360 371 HD22 ASN 46 2HD2 ASN 46 15.905 2.407 -6.550 372 H ASN 47 HN ASN 47 13.440 0.870 -4.828 373 HA ASN 47 HA ASN 47 13.209 -0.290 -2.175 374 HB2 ASN 47 2HB ASN 47 13.148 -1.634 -4.346 375 HB3 ASN 47 1HB ASN 47 14.881 -1.340 -4.464 376 HD21 ASN 47 1HD2 ASN 47 13.471 -3.837 -4.197 377 HD22 ASN 47 2HD2 ASN 47 14.072 -4.593 -2.760 378 H LEU 48 HN LEU 48 14.460 0.550 -0.638 379 HA LEU 48 HA LEU 48 16.857 1.967 -1.227 380 HB2 LEU 48 2HB LEU 48 15.501 1.182 1.335 381 HB3 LEU 48 1HB LEU 48 17.018 2.056 1.309 382 HG LEU 48 HG LEU 48 15.281 3.622 1.661 383 HD11 LEU 48 1HD1 LEU 48 15.503 5.111 -0.266 384 HD12 LEU 48 2HD1 LEU 48 16.182 3.777 -1.199 385 HD13 LEU 48 3HD1 LEU 48 17.043 4.399 0.209 386 HD21 LEU 48 3HD2 LEU 48 13.383 2.344 0.869 387 HD22 LEU 48 1HD2 LEU 48 13.928 2.550 -0.798 388 HD23 LEU 48 2HD2 LEU 48 13.408 3.950 0.140 389 H ASP 49 HN ASP 49 16.383 -1.325 -1.025 390 HA ASP 49 HA ASP 49 18.836 -1.901 0.435 391 HB2 ASP 49 2HB ASP 49 16.631 -3.358 0.380 392 HB3 ASP 49 1HB ASP 49 17.339 -4.004 -1.089 393 H GLN 50 HN GLN 50 20.271 -3.610 -0.648 394 HA GLN 50 HA GLN 50 21.009 -2.623 -3.309 395 HB2 GLN 50 2HB GLN 50 22.521 -4.325 -1.315 396 HB3 GLN 50 1HB GLN 50 23.144 -3.823 -2.882 397 HG2 GLN 50 2HG GLN 50 23.102 -1.509 -2.204 398 HG3 GLN 50 1HG GLN 50 22.335 -1.941 -0.675 399 HE21 GLN 50 1HE2 GLN 50 23.547 -2.886 0.934 400 HE22 GLN 50 2HE2 GLN 50 25.275 -2.914 0.914 401 H SER 51 HN SER 51 18.964 -4.739 -2.216 402 HA SER 51 HA SER 51 19.785 -6.976 -3.949 403 HB2 SER 51 2HB SER 51 18.041 -7.108 -1.484 404 HB3 SER 51 1HB SER 51 18.726 -8.458 -2.373 405 HG SER 51 HG SER 51 20.025 -6.562 -0.731 406 HA PRO 52 HA PRO 52 15.741 -6.375 -5.842 407 HB2 PRO 52 2HB PRO 52 15.740 -8.538 -7.442 408 HB3 PRO 52 1HB PRO 52 16.748 -7.128 -7.787 409 HG2 PRO 52 2HG PRO 52 17.505 -9.753 -6.582 410 HG3 PRO 52 1HG PRO 52 18.401 -8.746 -7.734 411 HD2 PRO 52 2HD PRO 52 18.890 -8.845 -5.019 412 HD3 PRO 52 1HD PRO 52 19.337 -7.491 -6.074 413 H GLU 53 HN GLU 53 16.813 -9.070 -4.014 414 HA GLU 53 HA GLU 53 14.181 -10.340 -3.890 415 HB2 GLU 53 2HB GLU 53 16.818 -11.189 -2.675 416 HB3 GLU 53 1HB GLU 53 15.357 -12.163 -2.780 417 HG2 GLU 53 2HG GLU 53 15.550 -12.409 -5.100 418 HG3 GLU 53 1HG GLU 53 16.720 -11.096 -5.228 419 H HIS 54 HN HIS 54 15.682 -7.890 -2.373 420 HA HIS 54 HA HIS 54 14.279 -8.409 0.160 421 HB2 HIS 54 2HB HIS 54 16.906 -6.938 -0.188 422 HB3 HIS 54 1HB HIS 54 15.998 -7.022 1.310 423 HD1 HIS 54 1HD HIS 54 18.724 -7.987 1.666 424 HD2 HIS 54 2HD HIS 54 15.784 -10.498 0.113 425 HE1 HIS 54 1HE HIS 54 19.537 -10.333 2.082 426 HE2 HIS 54 2HE HIS 54 17.660 -11.825 1.301 427 H PHE 55 HN PHE 55 13.132 -6.652 0.965 428 HA PHE 55 HA PHE 55 13.083 -4.301 -0.793 429 HB2 PHE 55 2HB PHE 55 10.662 -4.043 -0.026 430 HB3 PHE 55 1HB PHE 55 11.003 -5.343 -1.159 431 HD1 PHE 55 1HD PHE 55 11.065 -7.687 -0.350 432 HD2 PHE 55 2HD PHE 55 9.788 -4.479 2.130 433 HE1 PHE 55 1HE PHE 55 9.963 -9.292 1.152 434 HE2 PHE 55 2HE PHE 55 8.695 -6.079 3.647 435 HZ PHE 55 HZ PHE 55 8.780 -8.488 3.156 436 H SER 56 HN SER 56 14.035 -2.681 0.165 437 HA SER 56 HA SER 56 13.722 -2.386 3.074 438 HB2 SER 56 2HB SER 56 16.043 -2.744 2.337 439 HB3 SER 56 1HB SER 56 15.930 -1.338 1.284 440 HG SER 56 HG SER 56 16.443 -1.475 3.951 441 H MET 57 HN MET 57 13.050 -0.524 3.909 442 HA MET 57 HA MET 57 12.177 1.600 2.057 443 HB2 MET 57 2HB MET 57 10.977 0.742 4.712 444 HB3 MET 57 1HB MET 57 10.419 2.100 3.745 445 HG2 MET 57 2HG MET 57 10.493 -0.652 2.580 446 HG3 MET 57 1HG MET 57 9.170 -0.163 3.635 447 HE1 MET 57 3HE MET 57 7.320 1.558 3.018 448 HE2 MET 57 1HE MET 57 7.472 2.711 1.689 449 HE3 MET 57 2HE MET 57 8.597 2.775 3.046 450 H ASP 58 HN ASP 58 12.579 3.775 2.742 451 HA ASP 58 HA ASP 58 14.696 3.961 4.750 452 HB2 ASP 58 2HB ASP 58 14.853 5.071 2.460 453 HB3 ASP 58 1HB ASP 58 13.608 6.188 3.008 454 HA PRO 59 HA PRO 59 11.782 5.380 7.749 455 HB2 PRO 59 2HB PRO 59 13.993 6.445 9.318 456 HB3 PRO 59 1HB PRO 59 12.975 5.040 9.640 457 HG2 PRO 59 2HG PRO 59 15.591 4.825 8.974 458 HG3 PRO 59 1HG PRO 59 14.385 3.597 8.542 459 HD2 PRO 59 2HD PRO 59 15.550 5.789 6.852 460 HD3 PRO 59 1HD PRO 59 15.237 4.090 6.434 461 H ARG 60 HN ARG 60 14.238 7.524 6.490 462 HA ARG 60 HA ARG 60 13.196 9.886 7.748 463 HB2 ARG 60 2HB ARG 60 15.185 9.536 5.501 464 HB3 ARG 60 1HB ARG 60 14.838 11.059 6.311 465 HG2 ARG 60 2HG ARG 60 15.825 10.369 8.299 466 HG3 ARG 60 1HG ARG 60 15.742 8.662 7.855 467 HD2 ARG 60 2HD ARG 60 17.468 10.737 6.521 468 HD3 ARG 60 1HD ARG 60 18.023 9.563 7.713 469 HE ARG 60 HE ARG 60 16.752 8.244 5.548 470 HH11 ARG 60 1HH1 ARG 60 19.715 9.900 6.435 471 HH12 ARG 60 2HH1 ARG 60 20.676 9.064 5.248 472 HH21 ARG 60 1HH2 ARG 60 18.019 7.123 4.020 473 HH22 ARG 60 2HH2 ARG 60 19.716 7.507 3.870 474 H GLU 61 HN GLU 61 12.980 8.390 4.550 475 HA GLU 61 HA GLU 61 11.475 10.510 3.401 476 HB2 GLU 61 2HB GLU 61 11.793 7.618 2.612 477 HB3 GLU 61 1HB GLU 61 10.800 8.750 1.700 478 HG2 GLU 61 2HG GLU 61 12.947 10.200 1.655 479 HG3 GLU 61 1HG GLU 61 13.766 8.688 2.046 480 H GLN 62 HN GLN 62 10.610 7.560 5.132 481 HA GLN 62 HA GLN 62 7.819 7.796 4.777 482 HB2 GLN 62 2HB GLN 62 9.420 6.500 6.983 483 HB3 GLN 62 1HB GLN 62 7.671 6.397 6.859 484 HG2 GLN 62 2HG GLN 62 7.945 5.353 4.625 485 HG3 GLN 62 1HG GLN 62 9.687 5.355 4.888 486 HE21 GLN 62 1HE2 GLN 62 7.359 4.749 7.434 487 HE22 GLN 62 2HE2 GLN 62 7.752 3.083 7.649 488 H LEU 63 HN LEU 63 9.996 8.980 7.315 489 HA LEU 63 HA LEU 63 8.095 10.190 8.958 490 HB2 LEU 63 2HB LEU 63 10.451 9.896 9.575 491 HB3 LEU 63 1HB LEU 63 10.920 11.082 8.373 492 HG LEU 63 HG LEU 63 9.666 12.812 9.631 493 HD11 LEU 63 1HD1 LEU 63 8.056 11.325 10.732 494 HD12 LEU 63 2HD1 LEU 63 8.907 12.344 11.892 495 HD13 LEU 63 3HD1 LEU 63 9.357 10.649 11.709 496 HD21 LEU 63 3HD2 LEU 63 11.771 11.310 11.178 497 HD22 LEU 63 1HD2 LEU 63 11.261 12.968 11.497 498 HD23 LEU 63 2HD2 LEU 63 12.049 12.566 9.971 499 H THR 64 HN THR 64 9.848 11.498 6.171 500 HA THR 64 HA THR 64 8.674 14.075 6.294 501 HB THR 64 HB THR 64 9.839 12.725 3.851 502 HG1 THR 64 1HG THR 64 11.420 12.599 5.410 503 HG21 THR 64 3HG2 THR 64 8.688 14.831 3.394 504 HG22 THR 64 1HG2 THR 64 10.431 15.021 3.202 505 HG23 THR 64 2HG2 THR 64 9.631 15.632 4.650 506 H ALA 65 HN ALA 65 7.797 11.058 4.688 507 HA ALA 65 HA ALA 65 5.732 12.109 3.063 508 HB1 ALA 65 1HB ALA 65 6.063 9.320 4.157 509 HB2 ALA 65 2HB ALA 65 6.708 9.923 2.632 510 HB3 ALA 65 3HB ALA 65 4.967 9.794 2.859 511 H VAL 66 HN VAL 66 5.714 10.620 6.289 512 HA VAL 66 HA VAL 66 2.927 10.834 6.711 513 HB VAL 66 HB VAL 66 5.165 10.779 8.749 514 HG11 VAL 66 1HG1 VAL 66 2.206 10.327 9.120 515 HG12 VAL 66 2HG1 VAL 66 3.147 11.679 9.752 516 HG13 VAL 66 3HG1 VAL 66 3.444 10.044 10.342 517 HG21 VAL 66 3HG2 VAL 66 5.145 8.809 7.346 518 HG22 VAL 66 1HG2 VAL 66 3.420 8.587 7.639 519 HG23 VAL 66 2HG2 VAL 66 4.571 8.403 8.963 520 H LYS 67 HN LYS 67 5.609 13.041 7.326 521 HA LYS 67 HA LYS 67 4.200 15.058 8.671 522 HB2 LYS 67 2HB LYS 67 6.758 14.794 7.309 523 HB3 LYS 67 1HB LYS 67 6.067 16.396 7.106 524 HG2 LYS 67 2HG LYS 67 5.875 16.622 9.531 525 HG3 LYS 67 1HG LYS 67 6.575 15.013 9.730 526 HD2 LYS 67 2HD LYS 67 8.644 15.740 8.723 527 HD3 LYS 67 1HD LYS 67 7.949 17.320 8.356 528 HE2 LYS 67 2HE LYS 67 8.292 16.210 11.139 529 HE3 LYS 67 1HE LYS 67 9.430 17.305 10.354 530 HZ1 LYS 67 3HZ LYS 67 6.582 17.899 10.979 531 HZ2 LYS 67 1HZ LYS 67 7.644 18.944 10.166 532 HZ3 LYS 67 2HZ LYS 67 7.937 18.524 11.781 533 H ASP 68 HN ASP 68 4.547 14.355 5.236 534 HA ASP 68 HA ASP 68 3.226 16.719 4.336 535 HB2 ASP 68 2HB ASP 68 4.764 15.358 2.920 536 HB3 ASP 68 1HB ASP 68 3.545 14.091 2.876 537 H MET 69 HN MET 69 2.215 13.336 4.743 538 HA MET 69 HA MET 69 -0.450 13.560 3.947 539 HB2 MET 69 2HB MET 69 0.557 11.874 6.250 540 HB3 MET 69 1HB MET 69 -0.909 11.607 5.322 541 HG2 MET 69 2HG MET 69 0.363 11.047 3.373 542 HG3 MET 69 1HG MET 69 1.868 11.464 4.195 543 HE1 MET 69 3HE MET 69 2.382 7.647 4.076 544 HE2 MET 69 1HE MET 69 3.135 9.232 3.908 545 HE3 MET 69 2HE MET 69 1.839 8.752 2.814 546 H ARG 70 HN ARG 70 1.001 14.018 7.131 547 HA ARG 70 HA ARG 70 -1.326 14.508 8.598 548 HB2 ARG 70 2HB ARG 70 0.988 14.017 9.471 549 HB3 ARG 70 1HB ARG 70 1.421 15.676 9.085 550 HG2 ARG 70 2HG ARG 70 0.926 15.476 11.426 551 HG3 ARG 70 1HG ARG 70 -0.308 16.466 10.640 552 HD2 ARG 70 2HD ARG 70 -1.893 14.736 10.718 553 HD3 ARG 70 1HD ARG 70 -0.666 13.517 11.065 554 HE ARG 70 HE ARG 70 -0.477 15.132 13.198 555 HH11 ARG 70 1HH1 ARG 70 -3.264 13.718 11.619 556 HH12 ARG 70 2HH1 ARG 70 -4.144 13.497 13.102 557 HH21 ARG 70 1HH2 ARG 70 -1.635 14.848 15.151 558 HH22 ARG 70 2HH2 ARG 70 -3.233 14.146 15.098 559 H LYS 71 HN LYS 71 0.824 16.646 6.842 560 HA LYS 71 HA LYS 71 -0.398 19.078 7.685 561 HB2 LYS 71 2HB LYS 71 1.970 18.785 6.922 562 HB3 LYS 71 1HB LYS 71 1.364 18.559 5.293 563 HG2 LYS 71 2HG LYS 71 0.492 20.808 5.263 564 HG3 LYS 71 1HG LYS 71 0.995 21.046 6.942 565 HD2 LYS 71 2HD LYS 71 3.323 20.668 6.296 566 HD3 LYS 71 1HD LYS 71 2.820 20.437 4.622 567 HE2 LYS 71 2HE LYS 71 2.002 22.730 4.549 568 HE3 LYS 71 1HE LYS 71 2.478 22.959 6.233 569 HZ1 LYS 71 3HZ LYS 71 4.111 23.831 4.637 570 HZ2 LYS 71 1HZ LYS 71 4.348 22.263 4.038 571 HZ3 LYS 71 2HZ LYS 71 4.762 22.630 5.642 572 H ASN 72 HN ASN 72 -0.715 16.944 4.918 573 HA ASN 72 HA ASN 72 -2.316 18.761 3.379 574 HB2 ASN 72 2HB ASN 72 -0.769 16.729 2.675 575 HB3 ASN 72 1HB ASN 72 -2.269 15.824 2.843 576 HD21 ASN 72 1HD2 ASN 72 -0.650 16.412 0.488 577 HD22 ASN 72 2HD2 ASN 72 -1.707 17.191 -0.636 578 H GLY 73 HN GLY 73 -2.939 16.403 5.822 579 HA2 GLY 73 2HA GLY 73 -5.058 16.652 7.001 580 HA3 GLY 73 1HA GLY 73 -5.832 16.879 5.441 581 H TRP 74 HN TRP 74 -3.500 14.484 5.267 582 HA TRP 74 HA TRP 74 -5.568 12.401 5.473 583 HB2 TRP 74 2HB TRP 74 -3.049 12.560 3.819 584 HB3 TRP 74 1HB TRP 74 -3.939 11.061 4.044 585 HD1 TRP 74 1HD TRP 74 -6.846 11.788 3.528 586 HE1 TRP 74 1HE TRP 74 -7.659 12.655 1.236 587 HE3 TRP 74 3HE TRP 74 -2.401 13.540 1.716 588 HZ2 TRP 74 2HZ TRP 74 -6.550 13.936 -1.015 589 HZ3 TRP 74 3HZ TRP 74 -2.363 14.574 -0.514 590 HH2 TRP 74 2HH TRP 74 -4.394 14.768 -1.853 591 H VAL 75 HN VAL 75 -4.467 10.162 5.858 592 HA VAL 75 HA VAL 75 -2.264 10.331 7.794 593 HB VAL 75 HB VAL 75 -3.357 8.570 9.182 594 HG11 VAL 75 1HG1 VAL 75 -4.925 11.132 8.937 595 HG12 VAL 75 2HG1 VAL 75 -3.467 10.888 9.900 596 HG13 VAL 75 3HG1 VAL 75 -4.956 10.038 10.320 597 HG21 VAL 75 3HG2 VAL 75 -5.763 9.174 7.474 598 HG22 VAL 75 1HG2 VAL 75 -5.776 8.202 8.947 599 HG23 VAL 75 2HG2 VAL 75 -4.873 7.653 7.534 600 H MET 76 HN MET 76 -1.373 8.055 8.201 601 HA MET 76 HA MET 76 -1.010 6.783 5.618 602 HB2 MET 76 2HB MET 76 0.963 7.257 7.004 603 HB3 MET 76 1HB MET 76 0.317 6.237 8.285 604 HG2 MET 76 2HG MET 76 0.499 4.288 6.854 605 HG3 MET 76 1HG MET 76 1.069 5.295 5.524 606 HE1 MET 76 3HE MET 76 3.455 4.658 9.429 607 HE2 MET 76 1HE MET 76 1.864 3.959 9.132 608 HE3 MET 76 2HE MET 76 2.036 5.702 9.327 609 H LEU 77 HN LEU 77 -1.906 4.911 5.008 610 HA LEU 77 HA LEU 77 -3.737 3.641 6.922 611 HB2 LEU 77 2HB LEU 77 -3.661 3.402 3.918 612 HB3 LEU 77 1HB LEU 77 -4.918 2.796 4.981 613 HG LEU 77 HG LEU 77 -4.258 5.701 4.490 614 HD11 LEU 77 1HD1 LEU 77 -6.472 5.771 3.447 615 HD12 LEU 77 2HD1 LEU 77 -6.628 4.029 3.679 616 HD13 LEU 77 3HD1 LEU 77 -5.380 4.670 2.607 617 HD21 LEU 77 3HD2 LEU 77 -4.994 5.363 6.777 618 HD22 LEU 77 1HD2 LEU 77 -6.394 4.452 6.209 619 HD23 LEU 77 2HD2 LEU 77 -6.251 6.169 5.837 620 H GLY 78 HN GLY 78 -0.959 3.002 4.916 621 HA2 GLY 78 2HA GLY 78 -0.004 0.833 6.253 622 HA3 GLY 78 1HA GLY 78 -1.158 0.136 5.124 623 H ASN 79 HN ASN 79 0.612 -0.988 4.133 624 HA ASN 79 HA ASN 79 1.945 0.675 2.148 625 HB2 ASN 79 2HB ASN 79 4.114 -0.505 2.498 626 HB3 ASN 79 1HB ASN 79 3.659 0.556 3.816 627 HD21 ASN 79 1HD2 ASN 79 3.201 -0.314 5.817 628 HD22 ASN 79 2HD2 ASN 79 3.552 -1.954 6.221 629 H PHE 80 HN PHE 80 2.908 -0.592 0.415 630 HA PHE 80 HA PHE 80 1.442 -3.117 0.014 631 HB2 PHE 80 2HB PHE 80 1.172 -2.531 -2.359 632 HB3 PHE 80 1HB PHE 80 0.403 -1.344 -1.315 633 HD1 PHE 80 1HD PHE 80 1.374 0.906 -1.071 634 HD2 PHE 80 2HD PHE 80 3.026 -1.957 -3.755 635 HE1 PHE 80 1HE PHE 80 2.606 2.698 -2.227 636 HE2 PHE 80 2HE PHE 80 4.260 -0.173 -4.909 637 HZ PHE 80 HZ PHE 80 4.049 2.158 -4.145 638 H HIS 81 HN HIS 81 2.477 -4.773 -0.974 639 HA HIS 81 HA HIS 81 5.321 -4.369 -1.687 640 HB2 HIS 81 2HB HIS 81 4.077 -6.854 -0.466 641 HB3 HIS 81 1HB HIS 81 5.764 -6.666 -0.924 642 HD1 HIS 81 1HD HIS 81 5.565 -7.505 1.819 643 HD2 HIS 81 2HD HIS 81 5.083 -3.487 0.820 644 HE1 HIS 81 1HE HIS 81 5.970 -6.210 3.941 645 HE2 HIS 81 2HE HIS 81 5.388 -3.829 3.363 646 H SER 82 HN SER 82 5.929 -5.173 -3.665 647 HA SER 82 HA SER 82 3.822 -6.557 -5.189 648 HB2 SER 82 2HB SER 82 4.926 -5.519 -7.214 649 HB3 SER 82 1HB SER 82 4.142 -4.378 -6.121 650 HG SER 82 HG SER 82 6.195 -3.910 -5.243 651 H HIS 83 HN HIS 83 4.391 -8.268 -6.555 652 HA HIS 83 HA HIS 83 7.193 -9.146 -6.471 653 HB2 HIS 83 2HB HIS 83 4.764 -10.778 -5.738 654 HB3 HIS 83 1HB HIS 83 6.261 -11.537 -6.271 655 HD1 HIS 83 1HD HIS 83 4.594 -10.534 -3.266 656 HD2 HIS 83 2HD HIS 83 8.532 -10.600 -4.575 657 HE1 HIS 83 1HE HIS 83 6.001 -10.397 -1.181 658 HE2 HIS 83 2HE HIS 83 8.371 -10.176 -2.035 659 HA PRO 84 HA PRO 84 6.361 -9.577 -10.770 660 HB2 PRO 84 2HB PRO 84 8.824 -10.913 -11.264 661 HB3 PRO 84 1HB PRO 84 8.489 -9.188 -11.392 662 HG2 PRO 84 2HG PRO 84 10.176 -10.361 -9.525 663 HG3 PRO 84 1HG PRO 84 9.463 -8.744 -9.385 664 HD2 PRO 84 2HD PRO 84 8.605 -11.319 -8.124 665 HD3 PRO 84 1HD PRO 84 8.583 -9.671 -7.457 666 H ALA 85 HN ALA 85 8.028 -12.540 -9.610 667 HA ALA 85 HA ALA 85 6.434 -14.075 -11.538 668 HB1 ALA 85 1HB ALA 85 8.106 -15.823 -11.275 669 HB2 ALA 85 2HB ALA 85 8.927 -14.868 -10.039 670 HB3 ALA 85 3HB ALA 85 8.858 -14.288 -11.703 671 H THR 86 HN THR 86 5.492 -13.130 -8.876 672 HA THR 86 HA THR 86 4.542 -15.720 -7.917 673 HB THR 86 HB THR 86 4.789 -14.408 -5.537 674 HG1 THR 86 1HG THR 86 7.032 -13.745 -7.165 675 HG21 THR 86 3HG2 THR 86 6.622 -15.939 -5.054 676 HG22 THR 86 1HG2 THR 86 6.870 -16.213 -6.781 677 HG23 THR 86 2HG2 THR 86 5.380 -16.751 -6.007 678 HA PRO 87 HA PRO 87 0.777 -13.447 -7.689 679 HB2 PRO 87 2HB PRO 87 -0.765 -15.199 -6.386 680 HB3 PRO 87 1HB PRO 87 -0.096 -15.571 -7.978 681 HG2 PRO 87 2HG PRO 87 0.761 -16.532 -5.293 682 HG3 PRO 87 1HG PRO 87 0.767 -17.382 -6.847 683 HD2 PRO 87 2HD PRO 87 2.964 -16.131 -5.622 684 HD3 PRO 87 1HD PRO 87 2.877 -16.692 -7.301 685 H ALA 88 HN ALA 88 -1.127 -13.197 -5.916 686 HA ALA 88 HA ALA 88 0.015 -11.610 -3.818 687 HB1 ALA 88 1HB ALA 88 -2.048 -10.928 -4.981 688 HB2 ALA 88 2HB ALA 88 -2.289 -11.068 -3.239 689 HB3 ALA 88 3HB ALA 88 -2.876 -12.336 -4.314 690 H ARG 89 HN ARG 89 1.155 -13.040 -2.549 691 HA ARG 89 HA ARG 89 -0.465 -14.829 -0.873 692 HB2 ARG 89 2HB ARG 89 1.174 -16.578 -1.013 693 HB3 ARG 89 1HB ARG 89 0.762 -16.120 -2.663 694 HG2 ARG 89 2HG ARG 89 2.786 -15.041 -3.007 695 HG3 ARG 89 1HG ARG 89 3.106 -14.882 -1.280 696 HD2 ARG 89 2HD ARG 89 3.219 -17.444 -1.277 697 HD3 ARG 89 1HD ARG 89 3.353 -17.300 -3.031 698 HE ARG 89 HE ARG 89 5.218 -15.584 -1.764 699 HH11 ARG 89 1HH1 ARG 89 4.656 -18.983 -2.430 700 HH12 ARG 89 2HH1 ARG 89 6.349 -19.396 -2.410 701 HH21 ARG 89 1HH2 ARG 89 7.438 -16.133 -1.725 702 HH22 ARG 89 2HH2 ARG 89 7.927 -17.769 -2.033 703 HA PRO 90 HA PRO 90 2.146 -13.088 2.376 704 HB2 PRO 90 2HB PRO 90 1.575 -15.515 3.911 705 HB3 PRO 90 1HB PRO 90 1.129 -13.844 4.263 706 HG2 PRO 90 2HG PRO 90 -0.693 -15.706 3.538 707 HG3 PRO 90 1HG PRO 90 -0.862 -13.993 3.119 708 HD2 PRO 90 2HD PRO 90 0.084 -16.277 1.427 709 HD3 PRO 90 1HD PRO 90 -0.985 -14.921 0.995 710 H SER 91 HN SER 91 4.152 -13.323 1.394 711 HA SER 91 HA SER 91 5.337 -15.901 0.986 712 HB2 SER 91 2HB SER 91 6.572 -13.147 0.763 713 HB3 SER 91 1HB SER 91 7.246 -14.643 0.117 714 HG SER 91 HG SER 91 5.090 -13.113 -0.775 715 H ALA 92 HN ALA 92 7.697 -16.199 1.781 716 HA ALA 92 HA ALA 92 7.551 -16.687 4.517 717 HB1 ALA 92 1HB ALA 92 9.900 -17.291 4.388 718 HB2 ALA 92 2HB ALA 92 10.043 -16.467 2.833 719 HB3 ALA 92 3HB ALA 92 9.028 -17.900 2.983 720 H GLU 93 HN GLU 93 9.136 -14.026 2.785 721 HA GLU 93 HA GLU 93 10.299 -12.937 5.150 722 HB2 GLU 93 2HB GLU 93 11.001 -12.612 2.659 723 HB3 GLU 93 1HB GLU 93 9.797 -11.328 2.666 724 HG2 GLU 93 2HG GLU 93 12.007 -10.440 3.102 725 HG3 GLU 93 1HG GLU 93 10.964 -10.235 4.512 726 H ASP 94 HN ASP 94 7.481 -12.067 3.159 727 HA ASP 94 HA ASP 94 6.641 -9.831 4.603 728 HB2 ASP 94 2HB ASP 94 4.919 -11.852 3.141 729 HB3 ASP 94 1HB ASP 94 4.416 -10.236 3.618 730 H LYS 95 HN LYS 95 5.975 -13.246 5.038 731 HA LYS 95 HA LYS 95 4.010 -13.116 7.018 732 HB2 LYS 95 2HB LYS 95 5.434 -15.094 5.670 733 HB3 LYS 95 1HB LYS 95 5.869 -15.337 7.352 734 HG2 LYS 95 2HG LYS 95 3.021 -15.131 6.427 735 HG3 LYS 95 1HG LYS 95 3.901 -16.657 6.486 736 HD2 LYS 95 2HD LYS 95 4.310 -16.276 8.898 737 HD3 LYS 95 1HD LYS 95 3.326 -14.814 8.806 738 HE2 LYS 95 2HE LYS 95 1.390 -16.113 8.162 739 HE3 LYS 95 1HE LYS 95 2.359 -17.585 8.107 740 HZ1 LYS 95 3HZ LYS 95 2.717 -17.427 10.473 741 HZ2 LYS 95 1HZ LYS 95 1.051 -17.408 10.147 742 HZ3 LYS 95 2HZ LYS 95 1.857 -15.966 10.548 743 H ARG 96 HN ARG 96 7.540 -13.096 7.256 744 HA ARG 96 HA ARG 96 7.545 -13.192 10.125 745 HB2 ARG 96 2HB ARG 96 9.775 -12.518 8.201 746 HB3 ARG 96 1HB ARG 96 9.968 -12.787 9.926 747 HG2 ARG 96 2HG ARG 96 9.009 -15.083 9.558 748 HG3 ARG 96 1HG ARG 96 9.174 -14.777 7.827 749 HD2 ARG 96 2HD ARG 96 11.399 -14.691 9.859 750 HD3 ARG 96 1HD ARG 96 11.091 -16.012 8.737 751 HE ARG 96 HE ARG 96 11.483 -13.478 7.426 752 HH11 ARG 96 1HH1 ARG 96 13.109 -16.239 8.857 753 HH12 ARG 96 2HH1 ARG 96 14.527 -16.077 7.856 754 HH21 ARG 96 1HH2 ARG 96 13.346 -13.239 6.135 755 HH22 ARG 96 2HH2 ARG 96 14.663 -14.368 6.318 756 H LEU 97 HN LEU 97 7.675 -10.662 7.696 757 HA LEU 97 HA LEU 97 8.614 -8.690 9.587 758 HB2 LEU 97 2HB LEU 97 7.781 -8.412 6.703 759 HB3 LEU 97 1HB LEU 97 8.533 -7.159 7.667 760 HG LEU 97 HG LEU 97 9.776 -9.755 6.774 761 HD11 LEU 97 1HD1 LEU 97 10.462 -6.883 6.171 762 HD12 LEU 97 2HD1 LEU 97 9.665 -8.013 5.073 763 HD13 LEU 97 3HD1 LEU 97 11.327 -8.305 5.587 764 HD21 LEU 97 3HD2 LEU 97 10.509 -9.291 9.038 765 HD22 LEU 97 1HD2 LEU 97 10.901 -7.628 8.599 766 HD23 LEU 97 2HD2 LEU 97 11.820 -8.964 7.904 767 H ALA 98 HN ALA 98 5.801 -9.975 9.653 768 HA ALA 98 HA ALA 98 4.051 -7.709 9.373 769 HB1 ALA 98 1HB ALA 98 2.328 -9.161 10.280 770 HB2 ALA 98 2HB ALA 98 3.545 -10.353 10.741 771 HB3 ALA 98 3HB ALA 98 3.246 -10.012 9.037 772 H PHE 99 HN PHE 99 4.944 -6.119 10.684 773 HA PHE 99 HA PHE 99 4.841 -6.680 13.576 774 HB2 PHE 99 2HB PHE 99 6.753 -4.872 12.089 775 HB3 PHE 99 1HB PHE 99 6.620 -4.943 13.841 776 HD1 PHE 99 1HD PHE 99 6.844 -7.397 14.833 777 HD2 PHE 99 2HD PHE 99 8.390 -6.110 11.083 778 HE1 PHE 99 1HE PHE 99 8.490 -9.223 14.890 779 HE2 PHE 99 2HE PHE 99 10.031 -7.940 11.128 780 HZ PHE 99 HZ PHE 99 10.087 -9.499 13.034 781 H ASP 100 HN ASP 100 3.484 -4.876 11.087 782 HA ASP 100 HA ASP 100 3.131 -2.416 12.522 783 HB2 ASP 100 2HB ASP 100 1.868 -3.471 9.993 784 HB3 ASP 100 1HB ASP 100 1.499 -1.885 10.665 785 HA PRO 101 HA PRO 101 -0.337 -3.656 14.889 786 HB2 PRO 101 2HB PRO 101 -1.134 -0.938 15.358 787 HB3 PRO 101 1HB PRO 101 -0.201 -2.001 16.412 788 HG2 PRO 101 2HG PRO 101 0.798 0.251 15.176 789 HG3 PRO 101 1HG PRO 101 1.782 -1.103 15.754 790 HD2 PRO 101 2HD PRO 101 0.864 -0.469 12.985 791 HD3 PRO 101 1HD PRO 101 2.410 -1.146 13.539 792 H SER 102 HN SER 102 -1.189 -0.804 12.888 793 HA SER 102 HA SER 102 -3.822 -2.054 12.455 794 HB2 SER 102 2HB SER 102 -3.331 0.914 12.741 795 HB3 SER 102 1HB SER 102 -4.883 0.073 12.729 796 HG SER 102 HG SER 102 -4.209 -0.967 14.694 797 H LEU 103 HN LEU 103 -1.159 -1.585 10.854 798 HA LEU 103 HA LEU 103 -2.223 -0.064 8.609 799 HB2 LEU 103 2HB LEU 103 0.501 -1.301 9.019 800 HB3 LEU 103 1HB LEU 103 0.036 -0.317 7.644 801 HG LEU 103 HG LEU 103 0.284 0.584 10.514 802 HD11 LEU 103 1HD1 LEU 103 1.803 1.318 8.020 803 HD12 LEU 103 2HD1 LEU 103 2.403 0.351 9.367 804 HD13 LEU 103 3HD1 LEU 103 2.017 2.055 9.607 805 HD21 LEU 103 3HD2 LEU 103 -0.624 2.155 8.102 806 HD22 LEU 103 1HD2 LEU 103 -0.310 2.813 9.708 807 HD23 LEU 103 2HD2 LEU 103 -1.635 1.673 9.465 808 H SER 104 HN SER 104 -2.702 -0.913 6.639 809 HA SER 104 HA SER 104 -3.177 -3.774 6.596 810 HB2 SER 104 2HB SER 104 -3.846 -1.688 4.504 811 HB3 SER 104 1HB SER 104 -4.499 -3.323 4.613 812 HG SER 104 HG SER 104 -4.868 -2.086 6.946 813 H TYR 105 HN TYR 105 -2.028 -5.240 5.468 814 HA TYR 105 HA TYR 105 0.268 -4.302 3.923 815 HB2 TYR 105 2HB TYR 105 -0.504 -7.036 4.958 816 HB3 TYR 105 1HB TYR 105 0.877 -6.759 3.908 817 HD1 TYR 105 1HD TYR 105 2.782 -5.383 4.729 818 HD2 TYR 105 2HD TYR 105 -0.383 -6.604 7.296 819 HE1 TYR 105 1HE TYR 105 4.202 -4.933 6.682 820 HE2 TYR 105 2HE TYR 105 1.033 -6.159 9.259 821 HH TYR 105 HH TYR 105 3.886 -4.376 9.085 822 H LEU 106 HN LEU 106 -0.317 -3.813 1.863 823 HA LEU 106 HA LEU 106 -2.160 -5.615 0.481 824 HB2 LEU 106 2HB LEU 106 -1.022 -2.923 -0.238 825 HB3 LEU 106 1HB LEU 106 -1.857 -3.915 -1.415 826 HG LEU 106 HG LEU 106 -3.832 -3.905 0.198 827 HD11 LEU 106 1HD1 LEU 106 -2.284 -1.604 1.377 828 HD12 LEU 106 2HD1 LEU 106 -2.647 -3.131 2.180 829 HD13 LEU 106 3HD1 LEU 106 -3.954 -2.030 1.748 830 HD21 LEU 106 3HD2 LEU 106 -4.592 -1.715 -0.609 831 HD22 LEU 106 1HD2 LEU 106 -3.818 -2.660 -1.880 832 HD23 LEU 106 2HD2 LEU 106 -2.943 -1.338 -1.108 833 H ILE 107 HN ILE 107 -1.528 -7.093 -0.944 834 HA ILE 107 HA ILE 107 1.278 -7.003 -1.845 835 HB ILE 107 HB ILE 107 -0.441 -9.443 -1.344 836 HG12 ILE 107 2HG1 ILE 107 2.044 -8.441 0.068 837 HG13 ILE 107 1HG1 ILE 107 0.406 -8.323 0.698 838 HG21 ILE 107 1HG2 ILE 107 1.022 -9.784 -3.254 839 HG22 ILE 107 2HG2 ILE 107 1.577 -10.734 -1.876 840 HG23 ILE 107 3HG2 ILE 107 2.409 -9.241 -2.310 841 HD11 ILE 107 3HD1 ILE 107 1.867 -10.888 0.115 842 HD12 ILE 107 1HD1 ILE 107 0.256 -10.738 0.816 843 HD13 ILE 107 2HD1 ILE 107 1.663 -10.156 1.707 844 H ILE 108 HN ILE 108 1.607 -6.875 -3.960 845 HA ILE 108 HA ILE 108 -0.729 -7.121 -5.737 846 HB ILE 108 HB ILE 108 1.855 -5.638 -6.256 847 HG12 ILE 108 2HG1 ILE 108 -0.848 -4.529 -5.461 848 HG13 ILE 108 1HG1 ILE 108 0.529 -4.674 -4.375 849 HG21 ILE 108 1HG2 ILE 108 0.627 -4.619 -8.108 850 HG22 ILE 108 2HG2 ILE 108 -0.788 -5.592 -7.712 851 HG23 ILE 108 3HG2 ILE 108 0.687 -6.375 -8.278 852 HD11 ILE 108 3HD1 ILE 108 0.438 -2.999 -6.873 853 HD12 ILE 108 1HD1 ILE 108 1.790 -3.117 -5.747 854 HD13 ILE 108 2HD1 ILE 108 0.264 -2.403 -5.223 855 H SER 109 HN SER 109 -0.781 -8.623 -7.247 856 HA SER 109 HA SER 109 1.564 -10.321 -7.671 857 HB2 SER 109 2HB SER 109 -0.516 -11.460 -7.100 858 HB3 SER 109 1HB SER 109 -1.350 -10.671 -8.438 859 HG SER 109 HG SER 109 -0.798 -12.510 -9.373 860 H LEU 110 HN LEU 110 2.856 -9.805 -9.327 861 HA LEU 110 HA LEU 110 1.678 -8.581 -11.717 862 HB2 LEU 110 2HB LEU 110 4.522 -8.823 -10.758 863 HB3 LEU 110 1HB LEU 110 4.131 -8.325 -12.389 864 HG LEU 110 HG LEU 110 4.572 -6.355 -11.156 865 HD11 LEU 110 1HD1 LEU 110 2.703 -6.156 -12.667 866 HD12 LEU 110 2HD1 LEU 110 2.441 -5.154 -11.240 867 HD13 LEU 110 3HD1 LEU 110 1.595 -6.693 -11.406 868 HD21 LEU 110 3HD2 LEU 110 3.369 -5.756 -9.092 869 HD22 LEU 110 1HD2 LEU 110 4.364 -7.201 -8.898 870 HD23 LEU 110 2HD2 LEU 110 2.618 -7.352 -9.088 871 H ALA 111 HN ALA 111 2.183 -11.560 -10.582 872 HA ALA 111 HA ALA 111 3.507 -12.921 -12.672 873 HB1 ALA 111 1HB ALA 111 3.175 -13.916 -10.469 874 HB2 ALA 111 2HB ALA 111 2.505 -14.945 -11.734 875 HB3 ALA 111 3HB ALA 111 1.433 -13.959 -10.741 876 H GLU 112 HN GLU 112 0.195 -11.932 -12.179 877 HA GLU 112 HA GLU 112 -0.530 -13.007 -14.824 878 HB2 GLU 112 2HB GLU 112 -1.854 -13.925 -12.934 879 HB3 GLU 112 1HB GLU 112 -2.367 -12.298 -12.518 880 HG2 GLU 112 2HG GLU 112 -4.148 -13.293 -13.703 881 HG3 GLU 112 1HG GLU 112 -3.392 -12.145 -14.807 882 HA PRO 113 HA PRO 113 -0.190 -8.457 -15.232 883 HB2 PRO 113 2HB PRO 113 0.355 -9.001 -18.049 884 HB3 PRO 113 1HB PRO 113 1.380 -8.217 -16.846 885 HG2 PRO 113 2HG PRO 113 1.928 -10.669 -17.843 886 HG3 PRO 113 1HG PRO 113 2.351 -10.191 -16.189 887 HD2 PRO 113 2HD PRO 113 0.047 -11.847 -17.152 888 HD3 PRO 113 1HD PRO 113 1.091 -12.084 -15.732 889 H GLN 114 HN GLN 114 -2.214 -10.725 -16.731 890 HA GLN 114 HA GLN 114 -3.684 -8.976 -18.428 891 HB2 GLN 114 2HB GLN 114 -4.626 -11.539 -17.130 892 HB3 GLN 114 1HB GLN 114 -5.323 -10.764 -18.542 893 HG2 GLN 114 2HG GLN 114 -2.613 -12.058 -18.343 894 HG3 GLN 114 1HG GLN 114 -4.018 -12.659 -19.219 895 HE21 GLN 114 1HE2 GLN 114 -1.359 -12.081 -20.216 896 HE22 GLN 114 2HE2 GLN 114 -1.553 -10.896 -21.464 897 H LYS 115 HN LYS 115 -3.837 -9.912 -15.095 898 HA LYS 115 HA LYS 115 -5.451 -7.635 -14.417 899 HB2 LYS 115 2HB LYS 115 -6.579 -10.377 -14.410 900 HB3 LYS 115 1HB LYS 115 -6.868 -9.428 -12.961 901 HG2 LYS 115 2HG LYS 115 -7.578 -8.574 -15.761 902 HG3 LYS 115 1HG LYS 115 -8.701 -9.255 -14.582 903 HD2 LYS 115 2HD LYS 115 -8.062 -7.346 -13.054 904 HD3 LYS 115 1HD LYS 115 -7.219 -6.636 -14.431 905 HE2 LYS 115 2HE LYS 115 -10.154 -7.330 -14.353 906 HE3 LYS 115 1HE LYS 115 -9.484 -5.716 -14.125 907 HZ1 LYS 115 3HZ LYS 115 -9.349 -7.373 -16.588 908 HZ2 LYS 115 1HZ LYS 115 -8.533 -5.902 -16.386 909 HZ3 LYS 115 2HZ LYS 115 -10.225 -5.938 -16.367 910 HA PRO 116 HA PRO 116 -2.050 -8.694 -11.503 911 HB2 PRO 116 2HB PRO 116 -2.277 -5.813 -10.931 912 HB3 PRO 116 1HB PRO 116 -0.854 -6.763 -11.363 913 HG2 PRO 116 2HG PRO 116 -1.980 -5.048 -13.093 914 HG3 PRO 116 1HG PRO 116 -1.242 -6.570 -13.626 915 HD2 PRO 116 2HD PRO 116 -4.132 -5.876 -13.293 916 HD3 PRO 116 1HD PRO 116 -3.347 -6.872 -14.536 917 H VAL 117 HN VAL 117 -3.010 -9.739 -9.880 918 HA VAL 117 HA VAL 117 -5.302 -8.719 -8.516 919 HB VAL 117 HB VAL 117 -3.558 -11.077 -7.778 920 HG11 VAL 117 1HG1 VAL 117 -5.559 -11.870 -6.570 921 HG12 VAL 117 2HG1 VAL 117 -6.364 -10.346 -6.943 922 HG13 VAL 117 3HG1 VAL 117 -4.928 -10.355 -5.921 923 HG21 VAL 117 3HG2 VAL 117 -4.422 -11.344 -10.025 924 HG22 VAL 117 1HG2 VAL 117 -6.053 -10.965 -9.472 925 HG23 VAL 117 2HG2 VAL 117 -5.257 -12.442 -8.926 926 H CYS 118 HN CYS 118 -5.253 -7.276 -6.952 927 HA CYS 118 HA CYS 118 -2.969 -7.258 -5.099 928 HB2 CYS 118 2HB CYS 118 -3.254 -5.144 -6.383 929 HB3 CYS 118 1HB CYS 118 -4.883 -4.993 -5.733 930 HG CYS 118 HG CYS 118 -2.678 -5.335 -3.291 931 H LYS 119 HN LYS 119 -3.419 -7.922 -3.078 932 HA LYS 119 HA LYS 119 -6.212 -7.694 -2.171 933 HB2 LYS 119 2HB LYS 119 -4.293 -9.858 -1.315 934 HB3 LYS 119 1HB LYS 119 -5.989 -9.726 -0.897 935 HG2 LYS 119 2HG LYS 119 -6.573 -10.073 -3.266 936 HG3 LYS 119 1HG LYS 119 -4.861 -10.294 -3.629 937 HD2 LYS 119 2HD LYS 119 -5.835 -12.466 -3.400 938 HD3 LYS 119 1HD LYS 119 -4.846 -12.175 -1.967 939 HE2 LYS 119 2HE LYS 119 -6.851 -11.561 -0.708 940 HE3 LYS 119 1HE LYS 119 -7.839 -11.825 -2.144 941 HZ1 LYS 119 3HZ LYS 119 -8.054 -13.769 -0.902 942 HZ2 LYS 119 1HZ LYS 119 -6.403 -13.838 -0.506 943 HZ3 LYS 119 2HZ LYS 119 -6.910 -14.179 -2.086 944 H SER 120 HN SER 120 -6.477 -7.413 0.101 945 HA SER 120 HA SER 120 -4.185 -6.079 1.367 946 HB2 SER 120 2HB SER 120 -6.247 -4.694 1.063 947 HB3 SER 120 1HB SER 120 -7.131 -5.851 2.053 948 HG SER 120 HG SER 120 -6.412 -4.835 3.727 949 H PHE 121 HN PHE 121 -3.347 -6.943 3.201 950 HA PHE 121 HA PHE 121 -4.853 -9.161 4.415 951 HB2 PHE 121 2HB PHE 121 -1.853 -8.975 4.071 952 HB3 PHE 121 1HB PHE 121 -2.713 -10.277 4.879 953 HD1 PHE 121 1HD PHE 121 -4.089 -11.841 3.588 954 HD2 PHE 121 2HD PHE 121 -1.724 -8.863 1.689 955 HE1 PHE 121 1HE PHE 121 -4.282 -13.049 1.454 956 HE2 PHE 121 2HE PHE 121 -1.917 -10.063 -0.447 957 HZ PHE 121 HZ PHE 121 -3.195 -12.161 -0.569 958 H LEU 122 HN LEU 122 -5.261 -8.966 6.482 959 HA LEU 122 HA LEU 122 -3.684 -7.084 8.103 960 HB2 LEU 122 2HB LEU 122 -6.316 -8.459 8.702 961 HB3 LEU 122 1HB LEU 122 -5.503 -7.322 9.760 962 HG LEU 122 HG LEU 122 -6.597 -6.663 7.023 963 HD11 LEU 122 1HD1 LEU 122 -7.653 -5.964 9.762 964 HD12 LEU 122 2HD1 LEU 122 -8.363 -7.138 8.654 965 HD13 LEU 122 3HD1 LEU 122 -8.319 -5.429 8.219 966 HD21 LEU 122 3HD2 LEU 122 -6.158 -4.340 7.677 967 HD22 LEU 122 1HD2 LEU 122 -4.675 -5.292 7.616 968 HD23 LEU 122 2HD2 LEU 122 -5.411 -4.906 9.172 969 H ILE 123 HN ILE 123 -2.007 -8.063 9.086 970 HA ILE 123 HA ILE 123 -2.202 -10.967 9.431 971 HB ILE 123 HB ILE 123 0.334 -9.329 9.423 972 HG12 ILE 123 2HG1 ILE 123 -0.966 -10.844 7.139 973 HG13 ILE 123 1HG1 ILE 123 -0.876 -9.091 7.276 974 HG21 ILE 123 1HG2 ILE 123 -0.174 -12.280 9.043 975 HG22 ILE 123 2HG2 ILE 123 0.480 -11.524 10.495 976 HG23 ILE 123 3HG2 ILE 123 1.403 -11.490 8.991 977 HD11 ILE 123 3HD1 ILE 123 0.798 -9.927 5.742 978 HD12 ILE 123 1HD1 ILE 123 1.457 -10.971 7.002 979 HD13 ILE 123 2HD1 ILE 123 1.563 -9.217 7.162 980 H LYS 124 HN LYS 124 -2.530 -11.716 11.358 981 HA LYS 124 HA LYS 124 -1.894 -10.245 13.762 982 HB2 LYS 124 2HB LYS 124 -2.913 -13.060 13.303 983 HB3 LYS 124 1HB LYS 124 -2.710 -12.336 14.887 984 HG2 LYS 124 2HG LYS 124 -4.337 -10.547 14.134 985 HG3 LYS 124 1HG LYS 124 -4.658 -11.569 12.732 986 HD2 LYS 124 2HD LYS 124 -5.280 -13.412 14.248 987 HD3 LYS 124 1HD LYS 124 -5.022 -12.344 15.626 988 HE2 LYS 124 2HE LYS 124 -7.346 -12.337 15.241 989 HE3 LYS 124 1HE LYS 124 -6.750 -10.812 14.588 990 HZ1 LYS 124 3HZ LYS 124 -8.363 -11.980 13.139 991 HZ2 LYS 124 1HZ LYS 124 -7.241 -13.236 12.946 992 HZ3 LYS 124 2HZ LYS 124 -6.878 -11.680 12.376 993 H LYS 125 HN LYS 125 -0.804 -11.881 15.516 994 HA LYS 125 HA LYS 125 1.893 -12.064 14.911 995 HB2 LYS 125 2HB LYS 125 0.862 -12.196 17.203 996 HB3 LYS 125 1HB LYS 125 0.477 -13.873 16.860 997 HG2 LYS 125 2HG LYS 125 2.842 -14.377 16.572 998 HG3 LYS 125 1HG LYS 125 3.247 -12.692 16.893 999 HD2 LYS 125 2HD LYS 125 2.246 -12.908 19.130 1000 HD3 LYS 125 1HD LYS 125 1.928 -14.613 18.802 1001 HE2 LYS 125 2HE LYS 125 4.305 -15.036 18.561 1002 HE3 LYS 125 1HE LYS 125 4.654 -13.324 18.793 1003 HZ1 LYS 125 3HZ LYS 125 3.651 -13.512 21.019 1004 HZ2 LYS 125 1HZ LYS 125 5.030 -14.485 20.834 1005 HZ3 LYS 125 2HZ LYS 125 3.488 -15.184 20.787 1006 H ASP 126 HN ASP 126 -0.398 -14.771 15.098 1007 HA ASP 126 HA ASP 126 1.055 -15.974 12.845 1008 HB2 ASP 126 2HB ASP 126 1.559 -17.082 15.101 1009 HB3 ASP 126 1HB ASP 126 -0.101 -17.666 15.057 1010 H GLY 127 HN GLY 127 -0.780 -14.702 11.879 1011 HA2 GLY 127 2HA GLY 127 -2.448 -16.544 10.633 1012 HA3 GLY 127 1HA GLY 127 -3.398 -15.791 11.905 1013 H VAL 128 HN VAL 128 -3.395 -15.643 8.854 1014 HA VAL 128 HA VAL 128 -3.175 -12.707 8.694 1015 HB VAL 128 HB VAL 128 -1.560 -13.812 7.233 1016 HG11 VAL 128 1HG1 VAL 128 -2.327 -15.074 5.263 1017 HG12 VAL 128 2HG1 VAL 128 -3.965 -15.050 5.915 1018 HG13 VAL 128 3HG1 VAL 128 -2.685 -15.898 6.782 1019 HG21 VAL 128 3HG2 VAL 128 -3.795 -12.477 5.718 1020 HG22 VAL 128 1HG2 VAL 128 -2.141 -12.679 5.142 1021 HG23 VAL 128 2HG2 VAL 128 -2.468 -11.663 6.544 1022 H ASP 129 HN ASP 129 -4.932 -11.570 8.283 1023 HA ASP 129 HA ASP 129 -7.378 -12.976 7.478 1024 HB2 ASP 129 2HB ASP 129 -6.991 -10.194 8.598 1025 HB3 ASP 129 1HB ASP 129 -8.544 -10.907 8.185 1026 H GLU 130 HN GLU 130 -7.827 -12.958 5.388 1027 HA GLU 130 HA GLU 130 -6.656 -11.005 3.633 1028 HB2 GLU 130 2HB GLU 130 -8.622 -13.226 3.059 1029 HB3 GLU 130 1HB GLU 130 -7.739 -12.298 1.863 1030 HG2 GLU 130 2HG GLU 130 -5.622 -13.156 2.812 1031 HG3 GLU 130 1HG GLU 130 -6.567 -14.168 3.901 1032 H GLU 131 HN GLU 131 -7.522 -9.172 3.023 1033 HA GLU 131 HA GLU 131 -10.364 -8.667 3.605 1034 HB2 GLU 131 2HB GLU 131 -8.766 -7.307 4.919 1035 HB3 GLU 131 1HB GLU 131 -8.061 -6.705 3.431 1036 HG2 GLU 131 2HG GLU 131 -9.555 -5.068 4.413 1037 HG3 GLU 131 1HG GLU 131 -10.160 -5.620 2.853 1038 H GLU 132 HN GLU 132 -11.604 -7.543 2.077 1039 HA GLU 132 HA GLU 132 -10.676 -7.873 -0.660 1040 HB2 GLU 132 2HB GLU 132 -13.396 -7.203 0.462 1041 HB3 GLU 132 1HB GLU 132 -13.037 -7.456 -1.234 1042 HG2 GLU 132 2HG GLU 132 -12.402 -9.753 -0.788 1043 HG3 GLU 132 1HG GLU 132 -12.700 -9.507 0.932 1044 H ILE 133 HN ILE 133 -11.113 -6.178 -2.236 1045 HA ILE 133 HA ILE 133 -10.708 -3.511 -1.049 1046 HB ILE 133 HB ILE 133 -9.540 -4.525 -3.648 1047 HG12 ILE 133 2HG1 ILE 133 -8.227 -4.043 -0.959 1048 HG13 ILE 133 1HG1 ILE 133 -8.465 -5.606 -1.734 1049 HG21 ILE 133 1HG2 ILE 133 -9.118 -1.939 -2.157 1050 HG22 ILE 133 2HG2 ILE 133 -9.994 -2.136 -3.676 1051 HG23 ILE 133 3HG2 ILE 133 -8.256 -2.434 -3.614 1052 HD11 ILE 133 3HD1 ILE 133 -6.171 -4.858 -1.955 1053 HD12 ILE 133 1HD1 ILE 133 -6.714 -3.377 -2.742 1054 HD13 ILE 133 2HD1 ILE 133 -6.955 -4.935 -3.532 1055 H ILE 134 HN ILE 134 -12.042 -1.946 -1.652 1056 HA ILE 134 HA ILE 134 -13.906 -2.466 -3.860 1057 HB ILE 134 HB ILE 134 -14.061 -0.775 -1.392 1058 HG12 ILE 134 2HG1 ILE 134 -16.238 -1.750 -1.150 1059 HG13 ILE 134 1HG1 ILE 134 -16.222 -2.349 -2.798 1060 HG21 ILE 134 1HG2 ILE 134 -15.957 0.490 -2.292 1061 HG22 ILE 134 2HG2 ILE 134 -15.665 -0.209 -3.884 1062 HG23 ILE 134 3HG2 ILE 134 -14.459 0.849 -3.150 1063 HD11 ILE 134 3HD1 ILE 134 -14.312 -3.304 -0.702 1064 HD12 ILE 134 1HD1 ILE 134 -14.650 -4.025 -2.273 1065 HD13 ILE 134 2HD1 ILE 134 -15.876 -4.058 -1.003 1066 H LEU 135 HN LEU 135 -13.850 -1.255 -5.691 1067 HA LEU 135 HA LEU 135 -11.619 0.646 -5.853 1068 HB2 LEU 135 2HB LEU 135 -12.917 -0.994 -8.028 1069 HB3 LEU 135 1HB LEU 135 -11.592 0.126 -8.260 1070 HG LEU 135 HG LEU 135 -11.520 -2.460 -6.711 1071 HD11 LEU 135 1HD1 LEU 135 -10.072 -1.560 -9.198 1072 HD12 LEU 135 2HD1 LEU 135 -11.441 -2.672 -9.151 1073 HD13 LEU 135 3HD1 LEU 135 -9.910 -3.127 -8.402 1074 HD21 LEU 135 3HD2 LEU 135 -9.157 -1.978 -6.326 1075 HD22 LEU 135 1HD2 LEU 135 -10.188 -0.762 -5.570 1076 HD23 LEU 135 2HD2 LEU 135 -9.351 -0.395 -7.079 1077 H LYS 136 HN LYS 136 -11.893 2.651 -6.627 1078 HA LYS 136 HA LYS 136 -14.479 3.324 -7.857 1079 HB2 LYS 136 2HB LYS 136 -12.808 4.996 -5.976 1080 HB3 LYS 136 1HB LYS 136 -14.107 5.659 -6.954 1081 HG2 LYS 136 2HG LYS 136 -15.625 3.961 -5.849 1082 HG3 LYS 136 1HG LYS 136 -14.301 3.657 -4.727 1083 HD2 LYS 136 2HD LYS 136 -14.315 6.015 -4.066 1084 HD3 LYS 136 1HD LYS 136 -15.633 6.325 -5.198 1085 HE2 LYS 136 2HE LYS 136 -16.986 4.628 -3.955 1086 HE3 LYS 136 1HE LYS 136 -15.694 4.560 -2.757 1087 HZ1 LYS 136 3HZ LYS 136 -16.027 6.937 -2.339 1088 HZ2 LYS 136 1HZ LYS 136 -17.447 6.048 -2.052 1089 HZ3 LYS 136 2HZ LYS 136 -17.292 6.967 -3.468 1090 H GLU 137 HN GLU 137 -14.396 4.841 -9.582 1091 HA GLU 137 HA GLU 137 -11.945 4.594 -11.081 1092 HB2 GLU 137 2HB GLU 137 -14.682 5.656 -11.701 1093 HB3 GLU 137 1HB GLU 137 -13.346 5.905 -12.806 1094 HG2 GLU 137 2HG GLU 137 -14.534 4.015 -13.572 1095 HG3 GLU 137 1HG GLU 137 -13.041 3.417 -12.854 1096 H GLU 138 HN GLU 138 -13.560 6.989 -9.261 1097 HA GLU 138 HA GLU 138 -11.481 8.952 -9.959 1098 HB2 GLU 138 2HB GLU 138 -13.791 9.575 -10.746 1099 HB3 GLU 138 1HB GLU 138 -14.303 9.588 -9.064 1100 HG2 GLU 138 2HG GLU 138 -12.725 11.378 -8.587 1101 HG3 GLU 138 1HG GLU 138 -12.179 11.354 -10.263 1102 H LEU 139 HN LEU 139 -11.122 10.550 -8.119 1103 HA LEU 139 HA LEU 139 -10.337 9.159 -5.813 1104 HB2 LEU 139 2HB LEU 139 -10.690 12.122 -6.258 1105 HB3 LEU 139 1HB LEU 139 -9.886 11.414 -4.870 1106 HG LEU 139 HG LEU 139 -8.972 11.167 -7.738 1107 HD11 LEU 139 1HD1 LEU 139 -7.873 12.775 -5.437 1108 HD12 LEU 139 2HD1 LEU 139 -8.687 13.417 -6.864 1109 HD13 LEU 139 3HD1 LEU 139 -7.128 12.609 -7.027 1110 HD21 LEU 139 3HD2 LEU 139 -7.672 10.241 -5.175 1111 HD22 LEU 139 1HD2 LEU 139 -6.960 10.157 -6.787 1112 HD23 LEU 139 2HD2 LEU 139 -8.392 9.202 -6.404 1113 H GLU 140 HN GLU 140 -10.964 9.775 -3.569 1114 HA GLU 140 HA GLU 140 -13.705 9.128 -3.234 1115 HB2 GLU 140 2HB GLU 140 -11.380 8.949 -1.705 1116 HB3 GLU 140 1HB GLU 140 -12.409 10.068 -0.818 1117 HG2 GLU 140 2HG GLU 140 -13.162 7.292 -1.703 1118 HG3 GLU 140 1HG GLU 140 -12.731 7.787 -0.065 1119 H HIS 141 HN HIS 141 -15.210 10.347 -1.842 1120 HA HIS 141 HA HIS 141 -15.221 13.084 -2.822 1121 HB2 HIS 141 2HB HIS 141 -17.602 13.106 -2.365 1122 HB3 HIS 141 1HB HIS 141 -17.177 11.682 -3.297 1123 HD1 HIS 141 1HD HIS 141 -16.880 9.411 -1.641 1124 HD2 HIS 141 2HD HIS 141 -19.223 12.578 -0.295 1125 HE1 HIS 141 1HE HIS 141 -18.372 8.449 0.137 1126 HE2 HIS 141 2HE HIS 141 -19.861 10.355 0.857 1127 H HIS 142 HN HIS 142 -13.667 13.900 -1.366 1128 HA HIS 142 HA HIS 142 -14.863 14.549 1.252 1129 HB2 HIS 142 2HB HIS 142 -12.617 15.045 2.080 1130 HB3 HIS 142 1HB HIS 142 -12.686 13.401 1.460 1131 HD1 HIS 142 1HD HIS 142 -10.855 16.556 1.145 1132 HD2 HIS 142 2HD HIS 142 -11.365 13.095 -1.106 1133 HE1 HIS 142 1HE HIS 142 -8.968 16.543 -0.515 1134 HE2 HIS 142 2HE HIS 142 -9.152 14.305 -1.651 1135 H HIS 143 HN HIS 143 -14.391 15.632 -1.759 1136 HA HIS 143 HA HIS 143 -15.312 18.214 -1.405 1137 HB2 HIS 143 2HB HIS 143 -12.504 18.014 -0.860 1138 HB3 HIS 143 1HB HIS 143 -12.713 18.886 -2.376 1139 HD1 HIS 143 1HD HIS 143 -11.757 20.960 -0.955 1140 HD2 HIS 143 2HD HIS 143 -15.537 19.581 0.115 1141 HE1 HIS 143 1HE HIS 143 -12.786 22.792 0.435 1142 HE2 HIS 143 2HE HIS 143 -14.978 21.840 1.245 1143 H HIS 144 HN HIS 144 -15.553 19.273 -3.472 1144 HA HIS 144 HA HIS 144 -14.522 17.802 -5.771 1145 HB2 HIS 144 2HB HIS 144 -17.033 17.202 -4.871 1146 HB3 HIS 144 1HB HIS 144 -17.372 18.468 -6.048 1147 HD1 HIS 144 1HD HIS 144 -16.301 14.933 -5.753 1148 HD2 HIS 144 2HD HIS 144 -16.656 17.818 -8.723 1149 HE1 HIS 144 1HE HIS 144 -16.149 13.687 -7.922 1150 HE2 HIS 144 2HE HIS 144 -16.086 15.484 -9.689 1151 H HIS 145 HN HIS 145 -13.686 19.214 -7.114 1152 HA HIS 145 HA HIS 145 -14.980 21.796 -7.567 1153 HB2 HIS 145 2HB HIS 145 -13.438 22.217 -5.706 1154 HB3 HIS 145 1HB HIS 145 -12.117 21.502 -6.617 1155 HD1 HIS 145 1HD HIS 145 -11.126 22.910 -8.580 1156 HD2 HIS 145 2HD HIS 145 -14.014 24.859 -6.310 1157 HE1 HIS 145 1HE HIS 145 -10.918 25.344 -9.171 1158 HE2 HIS 145 2HE HIS 145 -12.498 26.522 -7.596 1159 H HIS 146 HN HIS 146 -14.883 22.328 -9.675 1160 HA HIS 146 HA HIS 146 -13.147 20.793 -11.440 1161 HB2 HIS 146 2HB HIS 146 -15.319 22.829 -11.981 1162 HB3 HIS 146 1HB HIS 146 -14.322 22.132 -13.250 1163 HD1 HIS 146 1HD HIS 146 -17.373 21.769 -13.259 1164 HD2 HIS 146 2HD HIS 146 -14.689 19.036 -11.631 1165 HE1 HIS 146 1HE HIS 146 -18.583 19.565 -13.234 1166 HE2 HIS 146 2HE HIS 146 -16.875 17.893 -12.438 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -13.162 -1.879 5.818 2 H2 MET 1 H2 MET 1 -14.383 -2.948 5.323 3 H3 MET 1 H3 MET 1 -14.307 -1.387 4.670 4 HA MET 1 HA MET 1 -12.206 -3.447 4.319 5 HB2 MET 1 2HB MET 1 -13.035 -3.885 2.151 6 HB3 MET 1 1HB MET 1 -14.444 -3.928 3.197 7 HG2 MET 1 2HG MET 1 -13.630 -1.678 1.376 8 HG3 MET 1 1HG MET 1 -14.958 -2.810 1.134 9 HE1 MET 1 2HE MET 1 -15.454 0.241 0.858 10 HE2 MET 1 3HE MET 1 -16.940 0.429 1.789 11 HE3 MET 1 1HE MET 1 -16.723 -0.979 0.750 12 H ILE 2 HN ILE 2 -10.972 -2.766 2.212 13 HA ILE 2 HA ILE 2 -10.267 0.051 2.551 14 HB ILE 2 HB ILE 2 -8.414 -1.475 2.818 15 HG12 ILE 2 2HG1 ILE 2 -8.214 -0.045 0.159 16 HG13 ILE 2 1HG1 ILE 2 -7.987 0.707 1.733 17 HG21 ILE 2 1HG2 ILE 2 -7.636 -2.897 0.966 18 HG22 ILE 2 2HG2 ILE 2 -9.073 -2.451 0.045 19 HG23 ILE 2 3HG2 ILE 2 -9.235 -3.360 1.548 20 HD11 ILE 2 3HD1 ILE 2 -6.286 -1.500 0.603 21 HD12 ILE 2 1HD1 ILE 2 -6.038 -0.669 2.137 22 HD13 ILE 2 2HD1 ILE 2 -5.871 0.213 0.618 23 H THR 3 HN THR 3 -10.460 1.520 0.956 24 HA THR 3 HA THR 3 -11.503 0.589 -1.641 25 HB THR 3 HB THR 3 -12.331 3.130 -0.218 26 HG1 THR 3 1HG THR 3 -13.007 0.911 0.645 27 HG21 THR 3 3HG2 THR 3 -13.496 1.713 -2.619 28 HG22 THR 3 1HG2 THR 3 -12.529 3.188 -2.668 29 HG23 THR 3 2HG2 THR 3 -14.111 3.196 -1.887 30 H LEU 4 HN LEU 4 -10.358 1.261 -3.341 31 HA LEU 4 HA LEU 4 -9.163 3.894 -3.323 32 HB2 LEU 4 2HB LEU 4 -6.989 3.103 -4.168 33 HB3 LEU 4 1HB LEU 4 -7.299 2.631 -2.517 34 HG LEU 4 HG LEU 4 -8.135 0.402 -3.777 35 HD11 LEU 4 1HD1 LEU 4 -5.913 1.501 -5.496 36 HD12 LEU 4 2HD1 LEU 4 -7.588 1.274 -5.997 37 HD13 LEU 4 3HD1 LEU 4 -6.592 -0.124 -5.593 38 HD21 LEU 4 3HD2 LEU 4 -6.510 0.545 -1.945 39 HD22 LEU 4 1HD2 LEU 4 -5.268 1.048 -3.090 40 HD23 LEU 4 2HD2 LEU 4 -5.976 -0.564 -3.208 41 H THR 5 HN THR 5 -8.238 4.360 -5.573 42 HA THR 5 HA THR 5 -10.373 3.462 -7.383 43 HB THR 5 HB THR 5 -10.246 5.624 -8.453 44 HG1 THR 5 1HG THR 5 -8.644 6.980 -6.810 45 HG21 THR 5 3HG2 THR 5 -10.917 7.047 -6.557 46 HG22 THR 5 1HG2 THR 5 -10.256 5.856 -5.438 47 HG23 THR 5 2HG2 THR 5 -11.639 5.444 -6.456 48 H LYS 6 HN LYS 6 -9.835 3.736 -9.743 49 HA LYS 6 HA LYS 6 -7.805 2.043 -10.552 50 HB2 LYS 6 2HB LYS 6 -9.409 4.140 -11.969 51 HB3 LYS 6 1HB LYS 6 -8.117 3.307 -12.815 52 HG2 LYS 6 2HG LYS 6 -10.448 1.946 -11.486 53 HG3 LYS 6 1HG LYS 6 -10.343 2.325 -13.207 54 HD2 LYS 6 2HD LYS 6 -8.087 1.015 -13.056 55 HD3 LYS 6 1HD LYS 6 -8.814 0.322 -11.605 56 HE2 LYS 6 2HE LYS 6 -10.075 0.319 -14.343 57 HE3 LYS 6 1HE LYS 6 -9.191 -1.034 -13.645 58 HZ1 LYS 6 3HZ LYS 6 -11.578 -1.291 -13.408 59 HZ2 LYS 6 1HZ LYS 6 -11.687 0.161 -12.532 60 HZ3 LYS 6 2HZ LYS 6 -10.840 -1.170 -11.894 61 H LYS 7 HN LYS 7 -7.779 5.575 -10.335 62 HA LYS 7 HA LYS 7 -5.293 5.962 -11.600 63 HB2 LYS 7 2HB LYS 7 -7.225 7.614 -10.973 64 HB3 LYS 7 1HB LYS 7 -6.354 7.780 -9.458 65 HG2 LYS 7 2HG LYS 7 -4.896 8.149 -12.029 66 HG3 LYS 7 1HG LYS 7 -5.940 9.427 -11.417 67 HD2 LYS 7 2HD LYS 7 -3.726 8.155 -9.816 68 HD3 LYS 7 1HD LYS 7 -3.535 9.638 -10.753 69 HE2 LYS 7 2HE LYS 7 -5.274 10.712 -9.425 70 HE3 LYS 7 1HE LYS 7 -5.512 9.224 -8.512 71 HZ1 LYS 7 3HZ LYS 7 -3.221 9.397 -7.730 72 HZ2 LYS 7 1HZ LYS 7 -4.131 10.760 -7.291 73 HZ3 LYS 7 2HZ LYS 7 -3.031 10.855 -8.578 74 H GLN 8 HN GLN 8 -6.187 5.430 -8.213 75 HA GLN 8 HA GLN 8 -3.570 5.745 -7.136 76 HB2 GLN 8 2HB GLN 8 -5.735 3.927 -6.045 77 HB3 GLN 8 1HB GLN 8 -4.434 4.698 -5.153 78 HG2 GLN 8 2HG GLN 8 -6.785 6.078 -6.422 79 HG3 GLN 8 1HG GLN 8 -6.552 5.770 -4.702 80 HE21 GLN 8 1HE2 GLN 8 -5.036 6.976 -3.569 81 HE22 GLN 8 2HE2 GLN 8 -4.376 8.448 -4.189 82 H MET 9 HN MET 9 -5.401 2.972 -8.356 83 HA MET 9 HA MET 9 -3.510 0.967 -7.875 84 HB2 MET 9 2HB MET 9 -5.800 0.472 -8.563 85 HB3 MET 9 1HB MET 9 -5.522 1.229 -10.124 86 HG2 MET 9 2HG MET 9 -5.455 -1.149 -10.365 87 HG3 MET 9 1HG MET 9 -3.835 -0.497 -10.621 88 HE1 MET 9 3HE MET 9 -5.186 -2.629 -6.748 89 HE2 MET 9 1HE MET 9 -6.208 -2.457 -8.176 90 HE3 MET 9 2HE MET 9 -5.768 -1.037 -7.228 91 H GLU 10 HN GLU 10 -4.007 3.044 -10.703 92 HA GLU 10 HA GLU 10 -1.928 2.118 -12.295 93 HB2 GLU 10 2HB GLU 10 -3.320 4.779 -12.037 94 HB3 GLU 10 1HB GLU 10 -2.123 4.471 -13.265 95 HG2 GLU 10 2HG GLU 10 -4.648 2.892 -12.916 96 HG3 GLU 10 1HG GLU 10 -4.440 4.222 -14.052 97 H GLU 11 HN GLU 11 -1.983 4.604 -9.768 98 HA GLU 11 HA GLU 11 0.660 5.508 -10.101 99 HB2 GLU 11 2HB GLU 11 -1.409 5.648 -7.959 100 HB3 GLU 11 1HB GLU 11 0.224 6.118 -7.562 101 HG2 GLU 11 2HG GLU 11 0.172 7.739 -9.435 102 HG3 GLU 11 1HG GLU 11 -1.510 7.297 -9.710 103 H MET 12 HN MET 12 -0.719 2.965 -8.048 104 HA MET 12 HA MET 12 1.770 2.258 -6.860 105 HB2 MET 12 2HB MET 12 -0.778 0.661 -7.185 106 HB3 MET 12 1HB MET 12 0.601 0.149 -6.218 107 HG2 MET 12 2HG MET 12 0.334 2.166 -4.830 108 HG3 MET 12 1HG MET 12 -1.101 2.590 -5.764 109 HE1 MET 12 3HE MET 12 -3.533 -0.353 -4.896 110 HE2 MET 12 1HE MET 12 -2.407 -0.287 -6.253 111 HE3 MET 12 2HE MET 12 -3.321 1.150 -5.796 112 H LEU 13 HN LEU 13 -0.067 0.981 -9.613 113 HA LEU 13 HA LEU 13 1.639 -1.130 -10.297 114 HB2 LEU 13 2HB LEU 13 -0.259 0.550 -11.915 115 HB3 LEU 13 1HB LEU 13 0.634 -0.774 -12.628 116 HG LEU 13 HG LEU 13 -1.378 -0.978 -10.387 117 HD11 LEU 13 1HD1 LEU 13 -2.697 -2.231 -12.008 118 HD12 LEU 13 2HD1 LEU 13 -1.460 -1.960 -13.235 119 HD13 LEU 13 3HD1 LEU 13 -2.368 -0.596 -12.583 120 HD21 LEU 13 3HD2 LEU 13 0.415 -2.584 -10.059 121 HD22 LEU 13 1HD2 LEU 13 0.253 -3.132 -11.728 122 HD23 LEU 13 2HD2 LEU 13 -1.059 -3.402 -10.580 123 H ALA 14 HN ALA 14 1.687 2.267 -11.263 124 HA ALA 14 HA ALA 14 3.777 2.104 -13.132 125 HB1 ALA 14 1HB ALA 14 2.361 4.085 -12.910 126 HB2 ALA 14 2HB ALA 14 4.069 4.504 -12.777 127 HB3 ALA 14 3HB ALA 14 3.066 4.419 -11.329 128 H HIS 15 HN HIS 15 3.844 2.697 -9.621 129 HA HIS 15 HA HIS 15 6.684 2.897 -9.489 130 HB2 HIS 15 2HB HIS 15 5.087 3.727 -7.733 131 HB3 HIS 15 1HB HIS 15 4.824 2.057 -7.262 132 HD1 HIS 15 1HD HIS 15 7.939 4.226 -7.775 133 HD2 HIS 15 2HD HIS 15 6.348 1.433 -5.133 134 HE1 HIS 15 1HE HIS 15 9.644 3.976 -5.950 135 HE2 HIS 15 2HE HIS 15 8.566 2.447 -4.258 136 H ALA 16 HN ALA 16 4.405 0.246 -9.250 137 HA ALA 16 HA ALA 16 6.153 -1.738 -8.321 138 HB1 ALA 16 1HB ALA 16 3.718 -2.003 -8.383 139 HB2 ALA 16 2HB ALA 16 4.542 -3.341 -9.186 140 HB3 ALA 16 3HB ALA 16 3.773 -2.074 -10.144 141 H ARG 17 HN ARG 17 5.199 -0.968 -11.678 142 HA ARG 17 HA ARG 17 6.964 -2.813 -12.867 143 HB2 ARG 17 2HB ARG 17 6.486 -1.744 -14.959 144 HB3 ARG 17 1HB ARG 17 5.003 -1.816 -14.017 145 HG2 ARG 17 2HG ARG 17 5.404 0.529 -13.333 146 HG3 ARG 17 1HG ARG 17 6.772 0.566 -14.441 147 HD2 ARG 17 2HD ARG 17 3.879 0.100 -15.153 148 HD3 ARG 17 1HD ARG 17 4.830 1.541 -15.510 149 HE ARG 17 HE ARG 17 6.182 -0.558 -16.687 150 HH11 ARG 17 1HH1 ARG 17 3.030 0.955 -16.964 151 HH12 ARG 17 2HH1 ARG 17 2.773 0.430 -18.604 152 HH21 ARG 17 1HH2 ARG 17 5.872 -1.226 -18.849 153 HH22 ARG 17 2HH2 ARG 17 4.402 -0.812 -19.685 154 H GLN 18 HN GLN 18 7.346 0.468 -11.803 155 HA GLN 18 HA GLN 18 9.832 1.029 -13.009 156 HB2 GLN 18 2HB GLN 18 8.440 2.783 -12.124 157 HB3 GLN 18 1HB GLN 18 8.514 2.094 -10.513 158 HG2 GLN 18 2HG GLN 18 10.907 2.577 -10.422 159 HG3 GLN 18 1HG GLN 18 10.815 3.279 -12.036 160 HE21 GLN 18 1HE2 GLN 18 9.926 5.277 -12.312 161 HE22 GLN 18 2HE2 GLN 18 9.558 6.335 -10.991 162 H ALA 19 HN ALA 19 8.960 -0.428 -9.924 163 HA ALA 19 HA ALA 19 11.720 -0.466 -9.026 164 HB1 ALA 19 1HB ALA 19 9.244 -1.523 -7.672 165 HB2 ALA 19 2HB ALA 19 9.924 0.090 -7.458 166 HB3 ALA 19 3HB ALA 19 10.834 -1.328 -6.935 167 H LEU 20 HN LEU 20 10.176 -2.359 -11.137 168 HA LEU 20 HA LEU 20 10.666 -4.979 -10.241 169 HB2 LEU 20 2HB LEU 20 10.575 -3.841 -13.034 170 HB3 LEU 20 1HB LEU 20 10.660 -5.551 -12.680 171 HG LEU 20 HG LEU 20 8.393 -3.701 -11.949 172 HD11 LEU 20 1HD1 LEU 20 8.552 -5.969 -13.929 173 HD12 LEU 20 2HD1 LEU 20 8.496 -4.253 -14.329 174 HD13 LEU 20 3HD1 LEU 20 7.113 -5.022 -13.550 175 HD21 LEU 20 3HD2 LEU 20 7.248 -5.740 -11.199 176 HD22 LEU 20 1HD2 LEU 20 8.686 -5.397 -10.237 177 HD23 LEU 20 2HD2 LEU 20 8.730 -6.657 -11.469 178 HA PRO 21 HA PRO 21 11.223 -6.738 -10.725 179 HB2 PRO 21 2HB PRO 21 12.815 -8.873 -10.641 180 HB3 PRO 21 1HB PRO 21 12.481 -8.054 -12.169 181 HG2 PRO 21 2HG PRO 21 14.952 -8.068 -10.545 182 HG3 PRO 21 1HG PRO 21 14.748 -7.797 -12.283 183 HD2 PRO 21 2HD PRO 21 15.015 -5.840 -10.181 184 HD3 PRO 21 1HD PRO 21 14.876 -5.566 -11.930 185 H ASN 22 HN ASN 22 12.294 -5.061 -8.566 186 HA ASN 22 HA ASN 22 12.872 -7.050 -6.480 187 HB2 ASN 22 2HB ASN 22 13.189 -4.040 -6.407 188 HB3 ASN 22 1HB ASN 22 13.597 -5.141 -5.098 189 HD21 ASN 22 1HD2 ASN 22 15.338 -3.302 -6.361 190 HD22 ASN 22 2HD2 ASN 22 16.607 -4.212 -7.100 191 H GLU 23 HN GLU 23 12.061 -5.816 -4.233 192 HA GLU 23 HA GLU 23 9.228 -6.134 -4.265 193 HB2 GLU 23 2HB GLU 23 11.292 -5.503 -2.212 194 HB3 GLU 23 1HB GLU 23 9.619 -5.109 -1.844 195 HG2 GLU 23 2HG GLU 23 10.369 -7.836 -2.811 196 HG3 GLU 23 1HG GLU 23 10.564 -7.389 -1.117 197 H ALA 24 HN ALA 24 8.059 -4.645 -5.290 198 HA ALA 24 HA ALA 24 8.652 -1.842 -5.194 199 HB1 ALA 24 1HB ALA 24 6.542 -1.563 -6.396 200 HB2 ALA 24 2HB ALA 24 6.151 -3.260 -6.113 201 HB3 ALA 24 3HB ALA 24 7.527 -2.827 -7.128 202 H CYS 25 HN CYS 25 8.511 -0.877 -3.265 203 HA CYS 25 HA CYS 25 6.214 -1.537 -1.550 204 HB2 CYS 25 2HB CYS 25 7.712 -0.814 0.342 205 HB3 CYS 25 1HB CYS 25 8.232 -2.274 -0.497 206 HG CYS 25 HG CYS 25 9.560 0.843 -1.025 207 H GLY 26 HN GLY 26 5.639 0.234 0.014 208 HA2 GLY 26 2HA GLY 26 6.286 2.905 -0.280 209 HA3 GLY 26 1HA GLY 26 4.979 2.592 -1.418 210 H LEU 27 HN LEU 27 4.091 4.304 0.176 211 HA LEU 27 HA LEU 27 2.747 2.882 2.382 212 HB2 LEU 27 2HB LEU 27 3.741 5.732 2.306 213 HB3 LEU 27 1HB LEU 27 2.704 5.089 3.564 214 HG LEU 27 HG LEU 27 5.491 4.101 2.950 215 HD11 LEU 27 1HD1 LEU 27 5.521 6.355 3.869 216 HD12 LEU 27 2HD1 LEU 27 6.111 5.187 5.051 217 HD13 LEU 27 3HD1 LEU 27 4.479 5.841 5.196 218 HD21 LEU 27 3HD2 LEU 27 3.600 3.443 5.207 219 HD22 LEU 27 1HD2 LEU 27 5.261 2.867 5.046 220 HD23 LEU 27 2HD2 LEU 27 4.037 2.372 3.876 221 H LEU 28 HN LEU 28 0.625 3.590 2.889 222 HA LEU 28 HA LEU 28 -0.713 4.965 0.654 223 HB2 LEU 28 2HB LEU 28 -1.816 2.912 2.572 224 HB3 LEU 28 1HB LEU 28 -2.753 3.739 1.344 225 HG LEU 28 HG LEU 28 -0.458 1.846 0.831 226 HD11 LEU 28 1HD1 LEU 28 -3.420 1.529 0.400 227 HD12 LEU 28 2HD1 LEU 28 -2.465 0.730 1.646 228 HD13 LEU 28 3HD1 LEU 28 -2.175 0.365 -0.055 229 HD21 LEU 28 3HD2 LEU 28 -2.317 3.208 -1.115 230 HD22 LEU 28 1HD2 LEU 28 -1.054 2.043 -1.512 231 HD23 LEU 28 2HD2 LEU 28 -0.622 3.623 -0.858 232 H GLY 29 HN GLY 29 -1.848 6.756 1.060 233 HA2 GLY 29 2HA GLY 29 -2.266 7.474 3.891 234 HA3 GLY 29 1HA GLY 29 -1.765 8.641 2.674 235 H GLY 30 HN GLY 30 -4.182 8.311 4.469 236 HA2 GLY 30 2HA GLY 30 -6.063 9.568 2.887 237 HA3 GLY 30 1HA GLY 30 -6.416 7.847 2.764 238 H ARG 31 HN ARG 31 -8.248 7.670 3.939 239 HA ARG 31 HA ARG 31 -8.049 8.523 6.755 240 HB2 ARG 31 2HB ARG 31 -10.476 8.491 4.962 241 HB3 ARG 31 1HB ARG 31 -10.562 8.684 6.705 242 HG2 ARG 31 2HG ARG 31 -9.098 10.711 6.445 243 HG3 ARG 31 1HG ARG 31 -9.326 10.550 4.701 244 HD2 ARG 31 2HD ARG 31 -10.903 12.151 5.698 245 HD3 ARG 31 1HD ARG 31 -11.730 10.770 4.972 246 HE ARG 31 HE ARG 31 -11.694 9.896 7.408 247 HH11 ARG 31 1HH1 ARG 31 -12.146 13.230 6.430 248 HH12 ARG 31 2HH1 ARG 31 -12.989 13.673 7.880 249 HH21 ARG 31 1HH2 ARG 31 -12.826 10.457 9.288 250 HH22 ARG 31 2HH2 ARG 31 -13.383 12.086 9.513 251 H ARG 32 HN ARG 32 -8.219 6.945 8.210 252 HA ARG 32 HA ARG 32 -9.633 4.501 7.392 253 HB2 ARG 32 2HB ARG 32 -8.322 3.264 9.055 254 HB3 ARG 32 1HB ARG 32 -7.280 4.026 7.865 255 HG2 ARG 32 2HG ARG 32 -6.785 5.820 9.473 256 HG3 ARG 32 1HG ARG 32 -7.796 5.006 10.669 257 HD2 ARG 32 2HD ARG 32 -5.310 3.881 9.384 258 HD3 ARG 32 1HD ARG 32 -5.426 4.523 11.020 259 HE ARG 32 HE ARG 32 -7.293 2.420 10.586 260 HH11 ARG 32 1HH1 ARG 32 -3.948 3.118 11.329 261 HH12 ARG 32 2HH1 ARG 32 -3.647 1.564 12.051 262 HH21 ARG 32 1HH2 ARG 32 -6.901 0.351 11.525 263 HH22 ARG 32 2HH2 ARG 32 -5.311 -0.014 12.128 264 H ASP 33 HN ASP 33 -11.479 4.149 8.368 265 HA ASP 33 HA ASP 33 -11.951 5.402 10.991 266 HB2 ASP 33 2HB ASP 33 -13.005 6.528 8.809 267 HB3 ASP 33 1HB ASP 33 -14.209 5.264 9.048 268 H GLY 34 HN GLY 34 -12.315 3.786 12.359 269 HA2 GLY 34 2HA GLY 34 -12.938 1.730 13.177 270 HA3 GLY 34 1HA GLY 34 -14.193 1.720 11.941 271 H ASP 35 HN ASP 35 -14.048 0.198 10.442 272 HA ASP 35 HA ASP 35 -11.380 -0.925 9.898 273 HB2 ASP 35 2HB ASP 35 -14.061 -2.244 10.090 274 HB3 ASP 35 1HB ASP 35 -12.826 -2.938 9.041 275 H ASP 36 HN ASP 36 -13.135 1.316 8.630 276 HA ASP 36 HA ASP 36 -12.843 0.328 5.873 277 HB2 ASP 36 2HB ASP 36 -13.981 3.000 6.628 278 HB3 ASP 36 1HB ASP 36 -14.130 2.160 5.102 279 H ARG 37 HN ARG 37 -11.472 1.231 4.502 280 HA ARG 37 HA ARG 37 -9.693 3.362 5.457 281 HB2 ARG 37 2HB ARG 37 -8.767 0.835 4.060 282 HB3 ARG 37 1HB ARG 37 -7.750 2.221 4.418 283 HG2 ARG 37 2HG ARG 37 -7.202 0.814 6.137 284 HG3 ARG 37 1HG ARG 37 -8.492 1.758 6.883 285 HD2 ARG 37 2HD ARG 37 -10.092 -0.035 6.223 286 HD3 ARG 37 1HD ARG 37 -8.720 -0.991 5.666 287 HE ARG 37 HE ARG 37 -8.469 -0.124 8.391 288 HH11 ARG 37 1HH1 ARG 37 -9.703 -2.601 6.257 289 HH12 ARG 37 2HH1 ARG 37 -9.872 -3.787 7.509 290 HH21 ARG 37 1HH2 ARG 37 -8.690 -1.683 10.061 291 HH22 ARG 37 2HH2 ARG 37 -9.330 -3.252 9.680 292 H TRP 38 HN TRP 38 -9.532 4.975 4.025 293 HA TRP 38 HA TRP 38 -10.242 4.375 1.224 294 HB2 TRP 38 2HB TRP 38 -10.631 6.983 2.715 295 HB3 TRP 38 1HB TRP 38 -11.070 6.675 1.038 296 HD1 TRP 38 1HD TRP 38 -13.056 4.745 0.691 297 HE1 TRP 38 1HE TRP 38 -15.122 4.271 2.159 298 HE3 TRP 38 3HE TRP 38 -11.543 7.054 4.990 299 HZ2 TRP 38 2HZ TRP 38 -15.994 4.821 4.786 300 HZ3 TRP 38 3HZ TRP 38 -13.052 7.041 6.932 301 HH2 TRP 38 2HH TRP 38 -15.231 5.947 6.830 302 H VAL 39 HN VAL 39 -8.521 4.403 -0.038 303 HA VAL 39 HA VAL 39 -6.135 5.865 0.731 304 HB VAL 39 HB VAL 39 -6.609 4.258 -1.784 305 HG11 VAL 39 1HG1 VAL 39 -4.712 5.809 -1.880 306 HG12 VAL 39 2HG1 VAL 39 -4.185 4.125 -1.896 307 HG13 VAL 39 3HG1 VAL 39 -4.047 5.078 -0.419 308 HG21 VAL 39 3HG2 VAL 39 -5.465 2.411 -0.637 309 HG22 VAL 39 1HG2 VAL 39 -6.981 2.840 0.155 310 HG23 VAL 39 2HG2 VAL 39 -5.445 3.356 0.851 311 H GLU 40 HN GLU 40 -6.525 8.026 0.473 312 HA GLU 40 HA GLU 40 -7.750 8.968 -1.988 313 HB2 GLU 40 2HB GLU 40 -6.771 10.610 0.350 314 HB3 GLU 40 1HB GLU 40 -7.852 11.132 -0.937 315 HG2 GLU 40 2HG GLU 40 -9.410 9.270 -0.110 316 HG3 GLU 40 1HG GLU 40 -8.405 9.264 1.338 317 H ARG 41 HN ARG 41 -4.602 8.702 -0.544 318 HA ARG 41 HA ARG 41 -3.467 9.598 -3.062 319 HB2 ARG 41 2HB ARG 41 -3.659 11.498 -1.168 320 HB3 ARG 41 1HB ARG 41 -2.131 10.774 -0.684 321 HG2 ARG 41 2HG ARG 41 -2.673 11.688 -3.493 322 HG3 ARG 41 1HG ARG 41 -2.002 12.746 -2.256 323 HD2 ARG 41 2HD ARG 41 0.030 11.875 -2.492 324 HD3 ARG 41 1HD ARG 41 -0.589 10.229 -2.378 325 HE ARG 41 HE ARG 41 -1.038 10.335 -4.774 326 HH11 ARG 41 1HH1 ARG 41 1.091 12.783 -3.454 327 HH12 ARG 41 2HH1 ARG 41 1.952 13.033 -4.943 328 HH21 ARG 41 1HH2 ARG 41 0.113 10.622 -6.737 329 HH22 ARG 41 2HH2 ARG 41 1.382 11.817 -6.811 330 H VAL 42 HN VAL 42 -1.853 8.338 -3.650 331 HA VAL 42 HA VAL 42 -0.801 6.405 -1.712 332 HB VAL 42 HB VAL 42 -0.478 6.484 -4.722 333 HG11 VAL 42 1HG1 VAL 42 0.202 4.326 -2.727 334 HG12 VAL 42 2HG1 VAL 42 1.347 5.298 -3.650 335 HG13 VAL 42 3HG1 VAL 42 0.287 4.159 -4.481 336 HG21 VAL 42 3HG2 VAL 42 -2.793 6.125 -4.105 337 HG22 VAL 42 1HG2 VAL 42 -2.320 4.821 -3.015 338 HG23 VAL 42 2HG2 VAL 42 -2.090 4.644 -4.755 339 H TYR 43 HN TYR 43 1.316 6.382 -1.079 340 HA TYR 43 HA TYR 43 3.070 8.372 -2.333 341 HB2 TYR 43 2HB TYR 43 2.847 7.630 0.583 342 HB3 TYR 43 1HB TYR 43 4.222 8.516 -0.077 343 HD1 TYR 43 2HD TYR 43 3.358 10.497 -1.750 344 HD2 TYR 43 1HD TYR 43 1.279 8.983 1.636 345 HE1 TYR 43 2HE TYR 43 2.112 12.604 -1.583 346 HE2 TYR 43 1HE TYR 43 0.015 11.089 1.805 347 HH TYR 43 HH TYR 43 0.674 13.735 0.844 348 HA PRO 44 HA PRO 44 5.022 4.323 -3.201 349 HB2 PRO 44 2HB PRO 44 6.226 6.002 -5.320 350 HB3 PRO 44 1HB PRO 44 5.410 4.441 -5.448 351 HG2 PRO 44 2HG PRO 44 4.235 6.680 -6.300 352 HG3 PRO 44 1HG PRO 44 3.300 5.399 -5.501 353 HD2 PRO 44 2HD PRO 44 4.311 7.991 -4.384 354 HD3 PRO 44 1HD PRO 44 2.736 7.202 -4.151 355 H LEU 45 HN LEU 45 6.605 3.962 -1.797 356 HA LEU 45 HA LEU 45 8.620 5.997 -1.292 357 HB2 LEU 45 2HB LEU 45 7.288 4.607 0.467 358 HB3 LEU 45 1HB LEU 45 8.428 3.334 0.086 359 HG LEU 45 HG LEU 45 9.455 6.022 0.911 360 HD11 LEU 45 1HD1 LEU 45 8.478 3.861 2.776 361 HD12 LEU 45 2HD1 LEU 45 7.775 5.467 2.582 362 HD13 LEU 45 3HD1 LEU 45 9.398 5.289 3.250 363 HD21 LEU 45 3HD2 LEU 45 11.283 4.687 1.808 364 HD22 LEU 45 1HD2 LEU 45 11.024 4.323 0.101 365 HD23 LEU 45 2HD2 LEU 45 10.448 3.206 1.338 366 H ASN 46 HN ASN 46 10.822 5.638 -1.580 367 HA ASN 46 HA ASN 46 11.544 4.163 -3.860 368 HB2 ASN 46 2HB ASN 46 12.761 6.163 -3.209 369 HB3 ASN 46 1HB ASN 46 13.260 5.408 -1.700 370 HD21 ASN 46 1HD2 ASN 46 13.712 5.497 -5.157 371 HD22 ASN 46 2HD2 ASN 46 15.210 4.622 -5.174 372 H ASN 47 HN ASN 47 12.812 2.314 -4.110 373 HA ASN 47 HA ASN 47 12.589 0.344 -2.006 374 HB2 ASN 47 2HB ASN 47 12.237 -0.210 -4.420 375 HB3 ASN 47 1HB ASN 47 13.938 0.128 -4.710 376 HD21 ASN 47 1HD2 ASN 47 12.529 -1.541 -1.935 377 HD22 ASN 47 2HD2 ASN 47 13.285 -3.061 -2.249 378 H LEU 48 HN LEU 48 13.945 0.887 -0.345 379 HA LEU 48 HA LEU 48 16.518 1.964 -0.626 380 HB2 LEU 48 2HB LEU 48 15.049 0.641 1.618 381 HB3 LEU 48 1HB LEU 48 16.741 1.056 1.802 382 HG LEU 48 HG LEU 48 15.297 2.756 2.768 383 HD11 LEU 48 1HD1 LEU 48 16.704 3.710 0.283 384 HD12 LEU 48 2HD1 LEU 48 17.443 3.448 1.863 385 HD13 LEU 48 3HD1 LEU 48 16.237 4.716 1.654 386 HD21 LEU 48 3HD2 LEU 48 14.227 3.138 -0.016 387 HD22 LEU 48 1HD2 LEU 48 13.874 4.160 1.377 388 HD23 LEU 48 2HD2 LEU 48 13.340 2.480 1.360 389 H ASP 49 HN ASP 49 15.433 -1.384 -0.393 390 HA ASP 49 HA ASP 49 18.161 -2.343 -0.123 391 HB2 ASP 49 2HB ASP 49 15.927 -3.420 0.866 392 HB3 ASP 49 1HB ASP 49 15.893 -4.204 -0.703 393 H GLN 50 HN GLN 50 18.743 -4.224 -1.624 394 HA GLN 50 HA GLN 50 18.019 -3.527 -4.396 395 HB2 GLN 50 2HB GLN 50 20.297 -4.447 -4.983 396 HB3 GLN 50 1HB GLN 50 20.317 -2.948 -4.064 397 HG2 GLN 50 2HG GLN 50 20.646 -4.354 -2.002 398 HG3 GLN 50 1HG GLN 50 20.907 -5.723 -3.083 399 HE21 GLN 50 1HE2 GLN 50 22.141 -2.687 -1.941 400 HE22 GLN 50 2HE2 GLN 50 23.752 -2.883 -2.555 401 H SER 51 HN SER 51 17.078 -5.464 -2.237 402 HA SER 51 HA SER 51 17.424 -8.009 -3.643 403 HB2 SER 51 2HB SER 51 16.268 -7.441 -0.902 404 HB3 SER 51 1HB SER 51 16.654 -9.022 -1.559 405 HG SER 51 HG SER 51 18.422 -6.928 -0.826 406 HA PRO 52 HA PRO 52 13.133 -7.686 -4.887 407 HB2 PRO 52 2HB PRO 52 13.136 -10.328 -5.917 408 HB3 PRO 52 1HB PRO 52 13.432 -8.833 -6.803 409 HG2 PRO 52 2HG PRO 52 15.301 -10.845 -6.328 410 HG3 PRO 52 1HG PRO 52 15.664 -9.192 -6.850 411 HD2 PRO 52 2HD PRO 52 15.812 -10.397 -4.124 412 HD3 PRO 52 1HD PRO 52 16.842 -9.160 -4.877 413 H GLU 53 HN GLU 53 14.312 -9.909 -2.579 414 HA GLU 53 HA GLU 53 11.672 -11.127 -2.180 415 HB2 GLU 53 2HB GLU 53 14.209 -11.853 -0.731 416 HB3 GLU 53 1HB GLU 53 12.753 -12.819 -0.915 417 HG2 GLU 53 2HG GLU 53 13.645 -13.799 -2.681 418 HG3 GLU 53 1HG GLU 53 13.701 -12.241 -3.509 419 H HIS 54 HN HIS 54 13.565 -8.621 -0.961 420 HA HIS 54 HA HIS 54 11.927 -8.532 1.474 421 HB2 HIS 54 2HB HIS 54 14.894 -8.142 1.283 422 HB3 HIS 54 1HB HIS 54 13.970 -7.362 2.543 423 HD1 HIS 54 1HD HIS 54 14.373 -8.576 4.629 424 HD2 HIS 54 2HD HIS 54 13.891 -11.143 1.399 425 HE1 HIS 54 1HE HIS 54 14.488 -10.904 5.588 426 HE2 HIS 54 2HE HIS 54 14.360 -12.445 3.591 427 H PHE 55 HN PHE 55 11.224 -6.571 2.066 428 HA PHE 55 HA PHE 55 11.862 -4.334 0.270 429 HB2 PHE 55 2HB PHE 55 9.606 -3.448 0.749 430 HB3 PHE 55 1HB PHE 55 9.541 -5.035 -0.007 431 HD1 PHE 55 1HD PHE 55 8.994 -7.036 1.393 432 HD2 PHE 55 2HD PHE 55 8.670 -3.057 2.874 433 HE1 PHE 55 1HE PHE 55 7.537 -7.833 3.209 434 HE2 PHE 55 2HE PHE 55 7.218 -3.852 4.693 435 HZ PHE 55 HZ PHE 55 6.651 -6.239 4.862 436 H SER 56 HN SER 56 12.240 -2.324 1.180 437 HA SER 56 HA SER 56 12.191 -2.110 4.086 438 HB2 SER 56 2HB SER 56 14.676 -1.542 2.456 439 HB3 SER 56 1HB SER 56 14.498 -1.302 4.190 440 HG SER 56 HG SER 56 13.796 -3.813 3.524 441 H MET 57 HN MET 57 11.679 -0.151 4.786 442 HA MET 57 HA MET 57 11.529 2.034 2.812 443 HB2 MET 57 2HB MET 57 9.573 1.401 5.034 444 HB3 MET 57 1HB MET 57 9.484 2.791 3.964 445 HG2 MET 57 2HG MET 57 9.161 1.334 2.054 446 HG3 MET 57 1HG MET 57 9.318 -0.083 3.091 447 HE1 MET 57 3HE MET 57 7.571 -0.682 5.028 448 HE2 MET 57 1HE MET 57 6.127 0.272 5.365 449 HE3 MET 57 2HE MET 57 7.722 0.943 5.696 450 H ASP 58 HN ASP 58 12.805 3.660 3.357 451 HA ASP 58 HA ASP 58 14.262 3.673 5.784 452 HB2 ASP 58 2HB ASP 58 15.088 4.558 3.603 453 HB3 ASP 58 1HB ASP 58 13.961 5.901 3.756 454 HA PRO 59 HA PRO 59 11.573 5.823 8.578 455 HB2 PRO 59 2HB PRO 59 14.066 7.083 9.586 456 HB3 PRO 59 1HB PRO 59 12.833 6.168 10.460 457 HG2 PRO 59 2HG PRO 59 15.195 5.071 9.913 458 HG3 PRO 59 1HG PRO 59 13.702 4.117 9.806 459 HD2 PRO 59 2HD PRO 59 15.344 5.323 7.618 460 HD3 PRO 59 1HD PRO 59 14.521 3.752 7.675 461 H ARG 60 HN ARG 60 14.136 7.678 6.952 462 HA ARG 60 HA ARG 60 12.941 10.223 7.468 463 HB2 ARG 60 2HB ARG 60 14.974 9.379 5.397 464 HB3 ARG 60 1HB ARG 60 14.500 11.044 5.704 465 HG2 ARG 60 2HG ARG 60 15.343 10.865 7.990 466 HG3 ARG 60 1HG ARG 60 15.826 9.195 7.677 467 HD2 ARG 60 2HD ARG 60 17.354 9.929 5.950 468 HD3 ARG 60 1HD ARG 60 16.826 11.597 6.154 469 HE ARG 60 HE ARG 60 17.702 11.008 8.610 470 HH11 ARG 60 1HH1 ARG 60 19.121 10.447 5.468 471 HH12 ARG 60 2HH1 ARG 60 20.761 10.599 6.028 472 HH21 ARG 60 1HH2 ARG 60 19.837 11.248 9.363 473 HH22 ARG 60 2HH2 ARG 60 21.171 11.053 8.256 474 H GLU 61 HN GLU 61 12.925 7.953 4.773 475 HA GLU 61 HA GLU 61 11.351 9.459 3.008 476 HB2 GLU 61 2HB GLU 61 11.664 6.478 3.347 477 HB3 GLU 61 1HB GLU 61 10.732 7.204 2.047 478 HG2 GLU 61 2HG GLU 61 13.667 7.607 2.559 479 HG3 GLU 61 1HG GLU 61 12.958 6.590 1.306 480 H GLN 62 HN GLN 62 10.496 7.212 5.597 481 HA GLN 62 HA GLN 62 7.703 7.272 5.250 482 HB2 GLN 62 2HB GLN 62 9.323 6.898 7.774 483 HB3 GLN 62 1HB GLN 62 7.598 6.597 7.640 484 HG2 GLN 62 2HG GLN 62 8.007 4.824 6.047 485 HG3 GLN 62 1HG GLN 62 9.739 5.154 6.100 486 HE21 GLN 62 1HE2 GLN 62 10.249 3.100 6.860 487 HE22 GLN 62 2HE2 GLN 62 9.894 2.606 8.479 488 H LEU 63 HN LEU 63 9.847 9.192 7.345 489 HA LEU 63 HA LEU 63 7.867 10.721 8.584 490 HB2 LEU 63 2HB LEU 63 10.185 10.600 9.372 491 HB3 LEU 63 1HB LEU 63 10.721 11.486 7.958 492 HG LEU 63 HG LEU 63 9.426 13.451 8.716 493 HD11 LEU 63 1HD1 LEU 63 8.530 13.484 11.001 494 HD12 LEU 63 2HD1 LEU 63 8.886 11.763 11.156 495 HD13 LEU 63 3HD1 LEU 63 7.693 12.314 9.979 496 HD21 LEU 63 3HD2 LEU 63 11.352 12.358 10.763 497 HD22 LEU 63 1HD2 LEU 63 10.891 14.051 10.574 498 HD23 LEU 63 2HD2 LEU 63 11.787 13.232 9.294 499 H THR 64 HN THR 64 9.671 11.296 5.601 500 HA THR 64 HA THR 64 8.684 13.859 5.032 501 HB THR 64 HB THR 64 9.471 11.716 3.044 502 HG1 THR 64 1HG THR 64 11.171 12.076 4.502 503 HG21 THR 64 3HG2 THR 64 8.333 13.601 2.003 504 HG22 THR 64 1HG2 THR 64 10.048 13.613 1.594 505 HG23 THR 64 2HG2 THR 64 9.424 14.725 2.814 506 H ALA 65 HN ALA 65 7.469 10.642 4.144 507 HA ALA 65 HA ALA 65 5.297 11.598 2.584 508 HB1 ALA 65 1HB ALA 65 5.619 8.917 3.936 509 HB2 ALA 65 2HB ALA 65 6.217 9.339 2.331 510 HB3 ALA 65 3HB ALA 65 4.482 9.303 2.642 511 H VAL 66 HN VAL 66 5.549 10.455 5.947 512 HA VAL 66 HA VAL 66 2.811 10.714 6.574 513 HB VAL 66 HB VAL 66 5.224 10.813 8.396 514 HG11 VAL 66 1HG1 VAL 66 2.310 10.451 9.094 515 HG12 VAL 66 2HG1 VAL 66 3.299 11.860 9.465 516 HG13 VAL 66 3HG1 VAL 66 3.662 10.308 10.218 517 HG21 VAL 66 3HG2 VAL 66 3.328 8.563 7.715 518 HG22 VAL 66 1HG2 VAL 66 4.653 8.477 8.878 519 HG23 VAL 66 2HG2 VAL 66 4.995 8.718 7.164 520 H LYS 67 HN LYS 67 5.525 12.986 6.836 521 HA LYS 67 HA LYS 67 4.218 15.009 8.267 522 HB2 LYS 67 2HB LYS 67 6.668 14.941 7.789 523 HB3 LYS 67 1HB LYS 67 6.320 15.375 6.123 524 HG2 LYS 67 2HG LYS 67 5.356 17.488 6.854 525 HG3 LYS 67 1HG LYS 67 5.672 17.057 8.533 526 HD2 LYS 67 2HD LYS 67 8.074 16.983 8.060 527 HD3 LYS 67 1HD LYS 67 7.751 17.423 6.383 528 HE2 LYS 67 2HE LYS 67 6.816 19.548 7.094 529 HE3 LYS 67 1HE LYS 67 7.044 19.103 8.787 530 HZ1 LYS 67 3HZ LYS 67 8.796 20.574 7.979 531 HZ2 LYS 67 1HZ LYS 67 9.218 19.442 6.788 532 HZ3 LYS 67 2HZ LYS 67 9.424 19.064 8.433 533 H ASP 68 HN ASP 68 4.435 14.410 4.797 534 HA ASP 68 HA ASP 68 2.897 16.692 4.033 535 HB2 ASP 68 2HB ASP 68 4.482 15.454 2.534 536 HB3 ASP 68 1HB ASP 68 3.336 14.123 2.494 537 H MET 69 HN MET 69 2.236 13.311 4.608 538 HA MET 69 HA MET 69 -0.391 13.110 3.713 539 HB2 MET 69 2HB MET 69 1.285 11.330 4.540 540 HB3 MET 69 1HB MET 69 0.665 11.684 6.140 541 HG2 MET 69 2HG MET 69 -1.571 11.036 5.424 542 HG3 MET 69 1HG MET 69 -0.949 10.679 3.810 543 HE1 MET 69 3HE MET 69 1.643 7.802 4.725 544 HE2 MET 69 1HE MET 69 1.954 9.539 4.741 545 HE3 MET 69 2HE MET 69 1.029 8.822 3.422 546 H ARG 70 HN ARG 70 0.805 13.805 6.999 547 HA ARG 70 HA ARG 70 -1.846 14.165 8.027 548 HB2 ARG 70 2HB ARG 70 -0.754 14.853 10.121 549 HB3 ARG 70 1HB ARG 70 -0.095 13.348 9.502 550 HG2 ARG 70 2HG ARG 70 1.824 14.409 10.118 551 HG3 ARG 70 1HG ARG 70 1.705 14.952 8.446 552 HD2 ARG 70 2HD ARG 70 0.218 16.790 9.937 553 HD3 ARG 70 1HD ARG 70 1.678 16.490 10.880 554 HE ARG 70 HE ARG 70 2.270 16.931 8.125 555 HH11 ARG 70 1HH1 ARG 70 1.562 18.543 11.151 556 HH12 ARG 70 2HH1 ARG 70 2.234 20.069 10.640 557 HH21 ARG 70 1HH2 ARG 70 3.167 18.901 7.457 558 HH22 ARG 70 2HH2 ARG 70 3.151 20.276 8.518 559 H LYS 71 HN LYS 71 0.421 16.178 6.460 560 HA LYS 71 HA LYS 71 -0.239 18.710 7.473 561 HB2 LYS 71 2HB LYS 71 1.708 18.410 6.109 562 HB3 LYS 71 1HB LYS 71 0.751 17.812 4.769 563 HG2 LYS 71 2HG LYS 71 -0.342 20.099 4.716 564 HG3 LYS 71 1HG LYS 71 0.955 20.618 5.798 565 HD2 LYS 71 2HD LYS 71 2.617 20.153 4.194 566 HD3 LYS 71 1HD LYS 71 1.502 19.216 3.197 567 HE2 LYS 71 2HE LYS 71 0.203 21.333 2.834 568 HE3 LYS 71 1HE LYS 71 1.518 22.195 3.630 569 HZ1 LYS 71 3HZ LYS 71 3.024 21.518 1.935 570 HZ2 LYS 71 1HZ LYS 71 1.657 22.171 1.173 571 HZ3 LYS 71 2HZ LYS 71 1.873 20.488 1.226 572 H ASN 72 HN ASN 72 -1.629 16.811 4.838 573 HA ASN 72 HA ASN 72 -3.552 18.932 4.288 574 HB2 ASN 72 2HB ASN 72 -2.408 17.597 2.453 575 HB3 ASN 72 1HB ASN 72 -3.424 16.239 2.930 576 HD21 ASN 72 1HD2 ASN 72 -4.499 16.210 0.938 577 HD22 ASN 72 2HD2 ASN 72 -5.638 17.432 0.486 578 H GLY 73 HN GLY 73 -3.345 16.015 6.069 579 HA2 GLY 73 2HA GLY 73 -5.044 15.866 7.840 580 HA3 GLY 73 1HA GLY 73 -6.237 16.238 6.609 581 H TRP 74 HN TRP 74 -3.586 13.994 6.090 582 HA TRP 74 HA TRP 74 -5.559 11.809 6.026 583 HB2 TRP 74 2HB TRP 74 -2.942 12.135 4.555 584 HB3 TRP 74 1HB TRP 74 -3.859 10.637 4.581 585 HD1 TRP 74 1HD TRP 74 -6.716 11.484 3.958 586 HE1 TRP 74 1HE TRP 74 -7.365 12.547 1.712 587 HE3 TRP 74 3HE TRP 74 -2.123 13.246 2.566 588 HZ2 TRP 74 2HZ TRP 74 -6.080 13.956 -0.382 589 HZ3 TRP 74 3HZ TRP 74 -1.919 14.435 0.423 590 HH2 TRP 74 2HH TRP 74 -3.857 14.783 -1.020 591 H VAL 75 HN VAL 75 -4.828 9.711 6.690 592 HA VAL 75 HA VAL 75 -2.592 9.749 8.612 593 HB VAL 75 HB VAL 75 -3.792 7.998 9.913 594 HG11 VAL 75 1HG1 VAL 75 -5.394 9.497 10.991 595 HG12 VAL 75 2HG1 VAL 75 -5.314 10.583 9.605 596 HG13 VAL 75 3HG1 VAL 75 -3.889 10.334 10.614 597 HG21 VAL 75 3HG2 VAL 75 -6.092 8.663 8.075 598 HG22 VAL 75 1HG2 VAL 75 -6.214 7.688 9.541 599 HG23 VAL 75 2HG2 VAL 75 -5.244 7.120 8.181 600 H MET 76 HN MET 76 -1.608 7.562 8.915 601 HA MET 76 HA MET 76 -1.113 6.446 6.306 602 HB2 MET 76 2HB MET 76 0.724 6.832 7.920 603 HB3 MET 76 1HB MET 76 0.018 5.630 8.991 604 HG2 MET 76 2HG MET 76 0.397 3.890 7.370 605 HG3 MET 76 1HG MET 76 0.973 5.066 6.191 606 HE1 MET 76 3HE MET 76 1.715 4.902 10.059 607 HE2 MET 76 1HE MET 76 3.232 4.000 10.077 608 HE3 MET 76 2HE MET 76 1.739 3.207 9.571 609 H LEU 77 HN LEU 77 -2.258 4.894 5.449 610 HA LEU 77 HA LEU 77 -4.112 3.359 7.046 611 HB2 LEU 77 2HB LEU 77 -3.498 3.148 4.098 612 HB3 LEU 77 1HB LEU 77 -4.897 2.485 4.922 613 HG LEU 77 HG LEU 77 -4.282 5.421 4.574 614 HD11 LEU 77 1HD1 LEU 77 -6.386 3.673 3.307 615 HD12 LEU 77 2HD1 LEU 77 -4.961 4.329 2.502 616 HD13 LEU 77 3HD1 LEU 77 -6.218 5.415 3.093 617 HD21 LEU 77 3HD2 LEU 77 -6.661 4.048 5.817 618 HD22 LEU 77 1HD2 LEU 77 -6.510 5.778 5.516 619 HD23 LEU 77 2HD2 LEU 77 -5.437 4.989 6.670 620 H GLY 78 HN GLY 78 -1.058 2.901 5.458 621 HA2 GLY 78 2HA GLY 78 -0.010 0.865 6.818 622 HA3 GLY 78 1HA GLY 78 -1.118 0.016 5.747 623 H ASN 79 HN ASN 79 0.816 -0.998 4.883 624 HA ASN 79 HA ASN 79 2.061 0.694 2.833 625 HB2 ASN 79 2HB ASN 79 4.228 -0.424 3.201 626 HB3 ASN 79 1HB ASN 79 3.707 0.477 4.616 627 HD21 ASN 79 1HD2 ASN 79 4.403 -2.627 3.300 628 HD22 ASN 79 2HD2 ASN 79 4.264 -3.518 4.773 629 H PHE 80 HN PHE 80 3.214 -0.692 1.186 630 HA PHE 80 HA PHE 80 1.885 -3.273 0.817 631 HB2 PHE 80 2HB PHE 80 1.295 -2.761 -1.501 632 HB3 PHE 80 1HB PHE 80 0.502 -1.651 -0.395 633 HD1 PHE 80 2HD PHE 80 3.012 -2.005 -3.022 634 HD2 PHE 80 1HD PHE 80 1.087 0.692 -0.357 635 HE1 PHE 80 2HE PHE 80 3.875 -0.103 -4.326 636 HE2 PHE 80 1HE PHE 80 1.940 2.597 -1.654 637 HZ PHE 80 HZ PHE 80 3.339 2.201 -3.643 638 H HIS 81 HN HIS 81 2.862 -4.591 -0.868 639 HA HIS 81 HA HIS 81 5.369 -3.742 -2.000 640 HB2 HIS 81 2HB HIS 81 6.699 -5.606 -1.123 641 HB3 HIS 81 1HB HIS 81 6.143 -4.558 0.173 642 HD1 HIS 81 1HD HIS 81 4.453 -5.564 1.862 643 HD2 HIS 81 2HD HIS 81 5.726 -8.223 -1.056 644 HE1 HIS 81 1HE HIS 81 3.778 -7.838 2.685 645 HE2 HIS 81 2HE HIS 81 4.826 -9.438 1.046 646 H SER 82 HN SER 82 5.947 -4.965 -3.814 647 HA SER 82 HA SER 82 3.815 -6.792 -4.705 648 HB2 SER 82 2HB SER 82 5.220 -4.753 -6.442 649 HB3 SER 82 1HB SER 82 3.834 -5.757 -6.877 650 HG SER 82 HG SER 82 3.845 -3.808 -4.812 651 H HIS 83 HN HIS 83 4.415 -8.578 -5.833 652 HA HIS 83 HA HIS 83 7.314 -9.014 -6.114 653 HB2 HIS 83 2HB HIS 83 5.063 -11.017 -5.812 654 HB3 HIS 83 1HB HIS 83 6.748 -11.443 -6.080 655 HD1 HIS 83 1HD HIS 83 4.702 -11.815 -3.461 656 HD2 HIS 83 2HD HIS 83 8.143 -9.521 -3.862 657 HE1 HIS 83 1HE HIS 83 5.527 -11.410 -1.115 658 HE2 HIS 83 2HE HIS 83 7.463 -9.807 -1.389 659 HA PRO 84 HA PRO 84 6.580 -9.157 -10.470 660 HB2 PRO 84 2HB PRO 84 9.187 -10.047 -11.058 661 HB3 PRO 84 1HB PRO 84 8.640 -8.377 -10.923 662 HG2 PRO 84 2HG PRO 84 10.438 -9.679 -9.208 663 HG3 PRO 84 1HG PRO 84 9.639 -8.126 -8.911 664 HD2 PRO 84 2HD PRO 84 8.954 -10.837 -7.886 665 HD3 PRO 84 1HD PRO 84 8.760 -9.249 -7.114 666 H ALA 85 HN ALA 85 8.611 -11.926 -9.449 667 HA ALA 85 HA ALA 85 7.270 -13.537 -11.503 668 HB1 ALA 85 1HB ALA 85 9.209 -15.008 -11.389 669 HB2 ALA 85 2HB ALA 85 9.882 -14.035 -10.082 670 HB3 ALA 85 3HB ALA 85 9.705 -13.342 -11.694 671 H THR 86 HN THR 86 6.430 -12.900 -8.641 672 HA THR 86 HA THR 86 5.840 -15.654 -7.873 673 HB THR 86 HB THR 86 6.159 -14.599 -5.411 674 HG1 THR 86 1HG THR 86 8.516 -13.664 -6.553 675 HG21 THR 86 3HG2 THR 86 7.068 -16.732 -6.166 676 HG22 THR 86 1HG2 THR 86 8.302 -15.804 -5.316 677 HG23 THR 86 2HG2 THR 86 8.322 -15.891 -7.077 678 HA PRO 87 HA PRO 87 1.836 -14.055 -7.171 679 HB2 PRO 87 2HB PRO 87 0.813 -15.819 -5.424 680 HB3 PRO 87 1HB PRO 87 1.224 -16.280 -7.080 681 HG2 PRO 87 2HG PRO 87 2.746 -16.738 -4.548 682 HG3 PRO 87 1HG PRO 87 2.497 -17.833 -5.919 683 HD2 PRO 87 2HD PRO 87 4.776 -16.350 -5.521 684 HD3 PRO 87 1HD PRO 87 4.231 -16.928 -7.107 685 H ALA 88 HN ALA 88 0.208 -14.016 -5.068 686 HA ALA 88 HA ALA 88 1.440 -12.038 -3.320 687 HB1 ALA 88 1HB ALA 88 -0.667 -11.460 -4.420 688 HB2 ALA 88 2HB ALA 88 -0.855 -11.493 -2.667 689 HB3 ALA 88 3HB ALA 88 -1.455 -12.833 -3.643 690 H ARG 89 HN ARG 89 -0.181 -12.249 -1.111 691 HA ARG 89 HA ARG 89 -0.525 -13.278 0.862 692 HB2 ARG 89 2HB ARG 89 0.117 -15.807 -0.658 693 HB3 ARG 89 1HB ARG 89 -0.374 -15.761 1.029 694 HG2 ARG 89 2HG ARG 89 -2.471 -14.614 0.305 695 HG3 ARG 89 1HG ARG 89 -1.985 -14.925 -1.362 696 HD2 ARG 89 2HD ARG 89 -2.040 -17.294 -1.002 697 HD3 ARG 89 1HD ARG 89 -2.304 -17.069 0.727 698 HE ARG 89 HE ARG 89 -4.268 -16.832 -1.391 699 HH11 ARG 89 1HH1 ARG 89 -3.477 -16.281 1.970 700 HH12 ARG 89 2HH1 ARG 89 -5.127 -16.028 2.459 701 HH21 ARG 89 1HH2 ARG 89 -6.436 -16.542 -0.762 702 HH22 ARG 89 2HH2 ARG 89 -6.818 -16.164 0.898 703 HA PRO 90 HA PRO 90 3.473 -13.083 2.619 704 HB2 PRO 90 2HB PRO 90 2.395 -14.342 5.038 705 HB3 PRO 90 1HB PRO 90 2.995 -12.698 4.806 706 HG2 PRO 90 2HG PRO 90 0.380 -13.226 5.176 707 HG3 PRO 90 1HG PRO 90 0.941 -11.898 4.144 708 HD2 PRO 90 2HD PRO 90 -0.044 -14.618 3.364 709 HD3 PRO 90 1HD PRO 90 -0.389 -13.039 2.624 710 H SER 91 HN SER 91 4.904 -14.481 1.805 711 HA SER 91 HA SER 91 4.812 -17.311 2.296 712 HB2 SER 91 2HB SER 91 5.863 -16.304 0.261 713 HB3 SER 91 1HB SER 91 7.108 -15.601 1.290 714 HG SER 91 HG SER 91 6.564 -18.386 1.012 715 H ALA 92 HN ALA 92 7.435 -17.919 3.058 716 HA ALA 92 HA ALA 92 7.146 -17.778 5.853 717 HB1 ALA 92 1HB ALA 92 9.628 -18.480 4.288 718 HB2 ALA 92 2HB ALA 92 8.323 -19.594 4.691 719 HB3 ALA 92 3HB ALA 92 9.302 -18.884 5.973 720 H GLU 93 HN GLU 93 9.442 -16.078 3.698 721 HA GLU 93 HA GLU 93 10.547 -14.550 5.853 722 HB2 GLU 93 2HB GLU 93 10.679 -14.102 2.865 723 HB3 GLU 93 1HB GLU 93 11.587 -13.176 4.052 724 HG2 GLU 93 2HG GLU 93 12.597 -15.368 4.797 725 HG3 GLU 93 1HG GLU 93 11.869 -16.081 3.357 726 H ASP 94 HN ASP 94 8.097 -14.018 3.411 727 HA ASP 94 HA ASP 94 7.631 -11.285 3.748 728 HB2 ASP 94 2HB ASP 94 6.745 -12.836 1.936 729 HB3 ASP 94 1HB ASP 94 5.530 -13.356 3.095 730 H LYS 95 HN LYS 95 6.150 -14.079 5.324 731 HA LYS 95 HA LYS 95 4.264 -12.794 6.917 732 HB2 LYS 95 2HB LYS 95 4.350 -15.229 6.598 733 HB3 LYS 95 1HB LYS 95 5.864 -15.299 7.481 734 HG2 LYS 95 2HG LYS 95 4.086 -16.043 8.899 735 HG3 LYS 95 1HG LYS 95 4.701 -14.502 9.499 736 HD2 LYS 95 2HD LYS 95 2.819 -13.356 8.371 737 HD3 LYS 95 1HD LYS 95 2.188 -14.932 7.879 738 HE2 LYS 95 2HE LYS 95 2.601 -13.996 10.719 739 HE3 LYS 95 1HE LYS 95 1.052 -14.094 9.883 740 HZ1 LYS 95 3HZ LYS 95 2.839 -16.410 10.427 741 HZ2 LYS 95 1HZ LYS 95 1.297 -16.473 9.722 742 HZ3 LYS 95 2HZ LYS 95 1.476 -16.009 11.344 743 H ARG 96 HN ARG 96 7.681 -13.434 7.498 744 HA ARG 96 HA ARG 96 7.574 -12.643 10.249 745 HB2 ARG 96 2HB ARG 96 9.951 -13.175 8.459 746 HB3 ARG 96 1HB ARG 96 10.012 -12.972 10.208 747 HG2 ARG 96 2HG ARG 96 8.611 -14.930 10.506 748 HG3 ARG 96 1HG ARG 96 8.486 -15.122 8.759 749 HD2 ARG 96 2HD ARG 96 10.963 -15.405 8.687 750 HD3 ARG 96 1HD ARG 96 10.963 -15.391 10.453 751 HE ARG 96 HE ARG 96 9.124 -17.307 9.410 752 HH11 ARG 96 1HH1 ARG 96 12.524 -16.784 10.119 753 HH12 ARG 96 2HH1 ARG 96 12.881 -18.483 10.216 754 HH21 ARG 96 1HH2 ARG 96 9.588 -19.512 9.578 755 HH22 ARG 96 2HH2 ARG 96 11.207 -20.043 9.926 756 H LEU 97 HN LEU 97 7.888 -10.975 7.295 757 HA LEU 97 HA LEU 97 9.343 -8.730 8.387 758 HB2 LEU 97 2HB LEU 97 7.995 -9.171 5.726 759 HB3 LEU 97 1HB LEU 97 8.880 -7.722 6.147 760 HG LEU 97 HG LEU 97 10.047 -10.500 5.992 761 HD11 LEU 97 1HD1 LEU 97 11.236 -9.653 4.029 762 HD12 LEU 97 2HD1 LEU 97 10.363 -8.126 4.160 763 HD13 LEU 97 3HD1 LEU 97 9.488 -9.614 3.796 764 HD21 LEU 97 3HD2 LEU 97 11.177 -9.167 7.672 765 HD22 LEU 97 1HD2 LEU 97 11.354 -7.834 6.529 766 HD23 LEU 97 2HD2 LEU 97 12.207 -9.352 6.252 767 H ALA 98 HN ALA 98 6.491 -9.672 9.216 768 HA ALA 98 HA ALA 98 5.300 -6.986 9.174 769 HB1 ALA 98 1HB ALA 98 3.090 -7.992 9.057 770 HB2 ALA 98 2HB ALA 98 3.806 -9.602 9.013 771 HB3 ALA 98 3HB ALA 98 4.062 -8.486 7.671 772 H PHE 99 HN PHE 99 5.257 -6.196 11.145 773 HA PHE 99 HA PHE 99 5.085 -8.072 13.412 774 HB2 PHE 99 2HB PHE 99 6.508 -5.409 13.273 775 HB3 PHE 99 1HB PHE 99 6.367 -6.403 14.718 776 HD1 PHE 99 2HD PHE 99 7.472 -8.643 14.765 777 HD2 PHE 99 1HD PHE 99 8.166 -5.826 11.656 778 HE1 PHE 99 2HE PHE 99 9.526 -9.845 14.140 779 HE2 PHE 99 1HE PHE 99 10.222 -7.025 11.021 780 HZ PHE 99 HZ PHE 99 10.906 -9.036 12.266 781 H ASP 100 HN ASP 100 3.467 -5.518 11.857 782 HA ASP 100 HA ASP 100 2.120 -4.777 14.371 783 HB2 ASP 100 2HB ASP 100 3.523 -2.964 13.269 784 HB3 ASP 100 1HB ASP 100 2.319 -2.953 11.983 785 HA PRO 101 HA PRO 101 -1.111 -6.879 11.900 786 HB2 PRO 101 2HB PRO 101 -2.636 -7.459 14.087 787 HB3 PRO 101 1HB PRO 101 -1.299 -8.467 13.523 788 HG2 PRO 101 2HG PRO 101 -1.337 -6.432 15.718 789 HG3 PRO 101 1HG PRO 101 -0.602 -8.047 15.698 790 HD2 PRO 101 2HD PRO 101 0.861 -5.823 15.330 791 HD3 PRO 101 1HD PRO 101 1.229 -7.335 14.473 792 H SER 102 HN SER 102 -1.019 -3.997 13.605 793 HA SER 102 HA SER 102 -3.863 -3.448 13.590 794 HB2 SER 102 2HB SER 102 -1.625 -1.490 14.134 795 HB3 SER 102 1HB SER 102 -3.299 -1.412 14.692 796 HG SER 102 HG SER 102 -1.154 -2.742 15.755 797 H LEU 103 HN LEU 103 -1.220 -3.194 11.503 798 HA LEU 103 HA LEU 103 -2.559 -1.209 9.809 799 HB2 LEU 103 2HB LEU 103 0.257 -2.289 9.806 800 HB3 LEU 103 1HB LEU 103 -0.367 -1.201 8.581 801 HG LEU 103 HG LEU 103 -0.110 -0.554 11.521 802 HD11 LEU 103 1HD1 LEU 103 1.690 0.936 10.828 803 HD12 LEU 103 2HD1 LEU 103 1.519 0.377 9.163 804 HD13 LEU 103 3HD1 LEU 103 2.058 -0.739 10.418 805 HD21 LEU 103 3HD2 LEU 103 -0.638 1.739 10.807 806 HD22 LEU 103 1HD2 LEU 103 -1.969 0.623 10.505 807 HD23 LEU 103 2HD2 LEU 103 -0.939 1.147 9.173 808 H SER 104 HN SER 104 -2.325 -1.672 7.408 809 HA SER 104 HA SER 104 -2.922 -4.510 6.937 810 HB2 SER 104 2HB SER 104 -4.748 -2.839 6.461 811 HB3 SER 104 1HB SER 104 -3.715 -2.156 5.206 812 HG SER 104 HG SER 104 -5.315 -4.296 5.087 813 H TYR 105 HN TYR 105 -1.699 -5.641 5.540 814 HA TYR 105 HA TYR 105 0.487 -4.197 4.203 815 HB2 TYR 105 2HB TYR 105 0.312 -7.108 5.027 816 HB3 TYR 105 1HB TYR 105 1.677 -6.369 4.198 817 HD1 TYR 105 2HD TYR 105 3.107 -4.739 5.384 818 HD2 TYR 105 1HD TYR 105 -0.004 -6.825 7.390 819 HE1 TYR 105 2HE TYR 105 4.113 -4.142 7.546 820 HE2 TYR 105 1HE TYR 105 0.994 -6.237 9.560 821 HH TYR 105 HH TYR 105 3.297 -3.871 9.953 822 H LEU 106 HN LEU 106 -0.262 -3.731 2.212 823 HA LEU 106 HA LEU 106 -1.913 -5.596 0.750 824 HB2 LEU 106 2HB LEU 106 -0.718 -2.930 0.019 825 HB3 LEU 106 1HB LEU 106 -1.621 -3.902 -1.123 826 HG LEU 106 HG LEU 106 -3.559 -3.799 0.520 827 HD11 LEU 106 1HD1 LEU 106 -1.905 -1.571 1.692 828 HD12 LEU 106 2HD1 LEU 106 -2.285 -3.101 2.483 829 HD13 LEU 106 3HD1 LEU 106 -3.576 -1.960 2.104 830 HD21 LEU 106 3HD2 LEU 106 -2.582 -1.251 -0.755 831 HD22 LEU 106 1HD2 LEU 106 -4.240 -1.578 -0.249 832 HD23 LEU 106 2HD2 LEU 106 -3.509 -2.526 -1.544 833 H ILE 107 HN ILE 107 -1.318 -6.950 -0.837 834 HA ILE 107 HA ILE 107 1.513 -6.924 -1.660 835 HB ILE 107 HB ILE 107 -0.115 -9.425 -1.140 836 HG12 ILE 107 2HG1 ILE 107 2.183 -8.264 0.453 837 HG13 ILE 107 1HG1 ILE 107 0.494 -8.236 0.948 838 HG21 ILE 107 1HG2 ILE 107 1.512 -9.730 -2.908 839 HG22 ILE 107 2HG2 ILE 107 2.049 -10.578 -1.458 840 HG23 ILE 107 3HG2 ILE 107 2.780 -9.035 -1.899 841 HD11 ILE 107 3HD1 ILE 107 1.729 -9.997 2.080 842 HD12 ILE 107 1HD1 ILE 107 2.165 -10.704 0.525 843 HD13 ILE 107 2HD1 ILE 107 0.477 -10.672 1.037 844 H ILE 108 HN ILE 108 1.672 -6.626 -3.765 845 HA ILE 108 HA ILE 108 -0.577 -7.436 -5.485 846 HB ILE 108 HB ILE 108 1.605 -5.418 -6.064 847 HG12 ILE 108 2HG1 ILE 108 -1.314 -4.979 -5.395 848 HG13 ILE 108 1HG1 ILE 108 0.030 -4.682 -4.297 849 HG21 ILE 108 1HG2 ILE 108 0.727 -6.532 -8.070 850 HG22 ILE 108 2HG2 ILE 108 0.291 -4.824 -8.019 851 HG23 ILE 108 3HG2 ILE 108 -0.907 -6.052 -7.611 852 HD11 ILE 108 3HD1 ILE 108 0.877 -2.967 -5.823 853 HD12 ILE 108 1HD1 ILE 108 -0.760 -2.615 -5.271 854 HD13 ILE 108 2HD1 ILE 108 -0.493 -3.254 -6.894 855 H SER 109 HN SER 109 -0.236 -8.815 -7.167 856 HA SER 109 HA SER 109 2.491 -9.885 -7.431 857 HB2 SER 109 2HB SER 109 0.803 -11.517 -6.625 858 HB3 SER 109 1HB SER 109 -0.123 -11.261 -8.103 859 HG SER 109 HG SER 109 2.520 -12.307 -7.903 860 H LEU 110 HN LEU 110 3.519 -9.284 -9.202 861 HA LEU 110 HA LEU 110 1.987 -8.447 -11.562 862 HB2 LEU 110 2HB LEU 110 4.330 -7.500 -10.277 863 HB3 LEU 110 1HB LEU 110 4.819 -8.108 -11.845 864 HG LEU 110 HG LEU 110 4.349 -5.719 -11.939 865 HD11 LEU 110 1HD1 LEU 110 3.941 -7.017 -13.944 866 HD12 LEU 110 2HD1 LEU 110 2.742 -5.730 -13.801 867 HD13 LEU 110 3HD1 LEU 110 2.306 -7.390 -13.396 868 HD21 LEU 110 3HD2 LEU 110 2.081 -4.873 -11.609 869 HD22 LEU 110 1HD2 LEU 110 2.725 -5.584 -10.126 870 HD23 LEU 110 2HD2 LEU 110 1.553 -6.476 -11.099 871 H ALA 111 HN ALA 111 2.571 -11.253 -10.625 872 HA ALA 111 HA ALA 111 4.451 -12.399 -12.425 873 HB1 ALA 111 1HB ALA 111 3.878 -13.462 -10.303 874 HB2 ALA 111 2HB ALA 111 3.583 -14.545 -11.664 875 HB3 ALA 111 3HB ALA 111 2.231 -13.732 -10.879 876 H GLU 112 HN GLU 112 1.400 -11.159 -12.912 877 HA GLU 112 HA GLU 112 1.201 -12.258 -15.559 878 HB2 GLU 112 2HB GLU 112 0.116 -13.987 -14.088 879 HB3 GLU 112 1HB GLU 112 -1.063 -12.771 -13.621 880 HG2 GLU 112 2HG GLU 112 -1.969 -12.666 -15.788 881 HG3 GLU 112 1HG GLU 112 -0.618 -13.567 -16.478 882 HA PRO 113 HA PRO 113 0.187 -7.907 -14.879 883 HB2 PRO 113 2HB PRO 113 1.070 -6.959 -17.243 884 HB3 PRO 113 1HB PRO 113 2.155 -7.423 -15.929 885 HG2 PRO 113 2HG PRO 113 1.378 -8.971 -18.372 886 HG3 PRO 113 1HG PRO 113 2.981 -8.771 -17.641 887 HD2 PRO 113 2HD PRO 113 1.449 -10.980 -17.263 888 HD3 PRO 113 1HD PRO 113 2.593 -10.378 -16.048 889 H GLN 114 HN GLN 114 -1.310 -9.972 -17.082 890 HA GLN 114 HA GLN 114 -2.898 -8.084 -18.484 891 HB2 GLN 114 2HB GLN 114 -3.295 -11.007 -17.882 892 HB3 GLN 114 1HB GLN 114 -4.505 -10.067 -18.742 893 HG2 GLN 114 2HG GLN 114 -2.641 -9.444 -20.353 894 HG3 GLN 114 1HG GLN 114 -1.714 -10.736 -19.588 895 HE21 GLN 114 1HE2 GLN 114 -2.784 -10.411 -22.309 896 HE22 GLN 114 2HE2 GLN 114 -3.742 -11.818 -22.617 897 H LYS 115 HN LYS 115 -3.285 -9.815 -15.471 898 HA LYS 115 HA LYS 115 -4.996 -7.712 -14.482 899 HB2 LYS 115 2HB LYS 115 -5.919 -10.555 -14.790 900 HB3 LYS 115 1HB LYS 115 -6.501 -9.582 -13.454 901 HG2 LYS 115 2HG LYS 115 -7.331 -7.914 -15.101 902 HG3 LYS 115 1HG LYS 115 -6.848 -9.017 -16.390 903 HD2 LYS 115 2HD LYS 115 -8.386 -10.700 -15.576 904 HD3 LYS 115 1HD LYS 115 -8.799 -9.693 -14.187 905 HE2 LYS 115 2HE LYS 115 -9.671 -7.978 -15.747 906 HE3 LYS 115 1HE LYS 115 -9.348 -9.074 -17.090 907 HZ1 LYS 115 3HZ LYS 115 -10.918 -10.636 -16.201 908 HZ2 LYS 115 1HZ LYS 115 -11.677 -9.124 -16.317 909 HZ3 LYS 115 2HZ LYS 115 -11.151 -9.696 -14.810 910 HA PRO 116 HA PRO 116 -1.683 -9.201 -11.616 911 HB2 PRO 116 2HB PRO 116 -1.440 -6.722 -10.431 912 HB3 PRO 116 1HB PRO 116 -0.498 -7.256 -11.826 913 HG2 PRO 116 2HG PRO 116 -2.942 -5.541 -11.731 914 HG3 PRO 116 1HG PRO 116 -1.499 -5.382 -12.749 915 HD2 PRO 116 2HD PRO 116 -3.800 -6.395 -13.699 916 HD3 PRO 116 1HD PRO 116 -2.220 -6.999 -14.239 917 H VAL 117 HN VAL 117 -2.074 -9.985 -9.595 918 HA VAL 117 HA VAL 117 -4.715 -9.563 -8.508 919 HB VAL 117 HB VAL 117 -2.431 -11.164 -7.331 920 HG11 VAL 117 1HG1 VAL 117 -4.212 -12.356 -6.126 921 HG12 VAL 117 2HG1 VAL 117 -5.403 -11.258 -6.822 922 HG13 VAL 117 3HG1 VAL 117 -4.175 -10.638 -5.720 923 HG21 VAL 117 3HG2 VAL 117 -3.445 -13.125 -8.373 924 HG22 VAL 117 1HG2 VAL 117 -2.989 -11.940 -9.596 925 HG23 VAL 117 2HG2 VAL 117 -4.678 -12.108 -9.119 926 H CYS 118 HN CYS 118 -5.179 -7.933 -7.224 927 HA CYS 118 HA CYS 118 -3.096 -6.934 -5.396 928 HB2 CYS 118 2HB CYS 118 -3.781 -5.307 -7.155 929 HB3 CYS 118 1HB CYS 118 -5.428 -5.383 -6.543 930 HG CYS 118 HG CYS 118 -2.803 -3.671 -5.393 931 H LYS 119 HN LYS 119 -3.495 -7.503 -3.351 932 HA LYS 119 HA LYS 119 -6.200 -7.079 -2.350 933 HB2 LYS 119 2HB LYS 119 -4.689 -9.652 -2.055 934 HB3 LYS 119 1HB LYS 119 -5.879 -9.162 -0.871 935 HG2 LYS 119 2HG LYS 119 -7.569 -9.042 -2.673 936 HG3 LYS 119 1HG LYS 119 -6.365 -9.678 -3.793 937 HD2 LYS 119 2HD LYS 119 -6.272 -11.751 -2.694 938 HD3 LYS 119 1HD LYS 119 -7.072 -11.115 -1.254 939 HE2 LYS 119 2HE LYS 119 -8.602 -12.507 -2.524 940 HE3 LYS 119 1HE LYS 119 -9.139 -10.830 -2.542 941 HZ1 LYS 119 3HZ LYS 119 -8.092 -10.620 -4.764 942 HZ2 LYS 119 1HZ LYS 119 -9.372 -11.737 -4.719 943 HZ3 LYS 119 2HZ LYS 119 -7.771 -12.288 -4.735 944 H SER 120 HN SER 120 -6.269 -7.107 0.010 945 HA SER 120 HA SER 120 -3.803 -5.965 1.135 946 HB2 SER 120 2HB SER 120 -6.669 -5.438 1.971 947 HB3 SER 120 1HB SER 120 -5.231 -4.626 2.590 948 HG SER 120 HG SER 120 -5.096 -4.335 0.016 949 H PHE 121 HN PHE 121 -2.875 -7.265 2.605 950 HA PHE 121 HA PHE 121 -4.601 -9.246 3.917 951 HB2 PHE 121 2HB PHE 121 -1.615 -9.303 3.451 952 HB3 PHE 121 1HB PHE 121 -2.534 -10.549 4.284 953 HD1 PHE 121 1HD PHE 121 -4.008 -12.035 3.058 954 HD2 PHE 121 2HD PHE 121 -1.696 -9.084 1.054 955 HE1 PHE 121 1HE PHE 121 -4.424 -13.169 0.913 956 HE2 PHE 121 2HE PHE 121 -2.106 -10.210 -1.092 957 HZ PHE 121 HZ PHE 121 -3.473 -12.255 -1.167 958 H LEU 122 HN LEU 122 -4.921 -9.078 6.017 959 HA LEU 122 HA LEU 122 -3.261 -7.233 7.552 960 HB2 LEU 122 2HB LEU 122 -5.838 -8.662 8.230 961 HB3 LEU 122 1HB LEU 122 -4.960 -7.654 9.362 962 HG LEU 122 HG LEU 122 -5.254 -5.788 7.592 963 HD11 LEU 122 1HD1 LEU 122 -7.456 -7.659 6.733 964 HD12 LEU 122 2HD1 LEU 122 -6.040 -7.221 5.776 965 HD13 LEU 122 3HD1 LEU 122 -7.237 -5.995 6.196 966 HD21 LEU 122 3HD2 LEU 122 -6.335 -5.771 9.764 967 HD22 LEU 122 1HD2 LEU 122 -7.601 -6.840 9.162 968 HD23 LEU 122 2HD2 LEU 122 -7.450 -5.205 8.520 969 H ILE 123 HN ILE 123 -1.463 -8.146 8.262 970 HA ILE 123 HA ILE 123 -1.455 -10.981 8.872 971 HB ILE 123 HB ILE 123 0.817 -8.991 8.881 972 HG12 ILE 123 2HG1 ILE 123 0.017 -11.095 6.858 973 HG13 ILE 123 1HG1 ILE 123 -0.170 -9.359 6.656 974 HG21 ILE 123 1HG2 ILE 123 0.849 -12.001 9.101 975 HG22 ILE 123 2HG2 ILE 123 1.281 -10.852 10.368 976 HG23 ILE 123 3HG2 ILE 123 2.270 -10.973 8.913 977 HD11 ILE 123 3HD1 ILE 123 2.250 -9.088 6.680 978 HD12 ILE 123 1HD1 ILE 123 1.736 -10.211 5.421 979 HD13 ILE 123 2HD1 ILE 123 2.444 -10.826 6.913 980 H LYS 124 HN LYS 124 -2.153 -11.534 10.773 981 HA LYS 124 HA LYS 124 -1.873 -9.699 13.034 982 HB2 LYS 124 2HB LYS 124 -3.526 -12.222 12.756 983 HB3 LYS 124 1HB LYS 124 -3.570 -11.107 14.112 984 HG2 LYS 124 2HG LYS 124 -4.318 -10.374 11.290 985 HG3 LYS 124 1HG LYS 124 -5.466 -10.861 12.538 986 HD2 LYS 124 2HD LYS 124 -4.745 -8.967 13.924 987 HD3 LYS 124 1HD LYS 124 -3.620 -8.479 12.657 988 HE2 LYS 124 2HE LYS 124 -5.445 -8.069 11.133 989 HE3 LYS 124 1HE LYS 124 -6.607 -8.688 12.308 990 HZ1 LYS 124 3HZ LYS 124 -5.990 -6.867 13.793 991 HZ2 LYS 124 1HZ LYS 124 -6.592 -6.282 12.320 992 HZ3 LYS 124 2HZ LYS 124 -4.925 -6.260 12.627 993 H LYS 125 HN LYS 125 -1.915 -11.268 15.162 994 HA LYS 125 HA LYS 125 0.709 -12.291 15.397 995 HB2 LYS 125 2HB LYS 125 -0.614 -11.378 17.276 996 HB3 LYS 125 1HB LYS 125 -1.707 -12.738 17.159 997 HG2 LYS 125 2HG LYS 125 -0.338 -13.303 18.935 998 HG3 LYS 125 1HG LYS 125 0.357 -14.197 17.585 999 HD2 LYS 125 2HD LYS 125 1.370 -11.516 18.514 1000 HD3 LYS 125 1HD LYS 125 2.009 -13.051 19.091 1001 HE2 LYS 125 2HE LYS 125 2.553 -13.640 16.736 1002 HE3 LYS 125 1HE LYS 125 2.043 -12.023 16.257 1003 HZ1 LYS 125 3HZ LYS 125 3.746 -11.138 17.798 1004 HZ2 LYS 125 1HZ LYS 125 4.400 -12.034 16.516 1005 HZ3 LYS 125 2HZ LYS 125 4.294 -12.720 18.062 1006 H ASP 126 HN ASP 126 -2.449 -13.816 15.386 1007 HA ASP 126 HA ASP 126 -1.433 -16.473 15.489 1008 HB2 ASP 126 2HB ASP 126 -4.179 -15.377 14.891 1009 HB3 ASP 126 1HB ASP 126 -3.826 -17.100 15.018 1010 H GLY 127 HN GLY 127 -2.552 -14.416 12.845 1011 HA2 GLY 127 2HA GLY 127 -1.120 -15.853 10.900 1012 HA3 GLY 127 1HA GLY 127 -2.785 -16.414 10.889 1013 H VAL 128 HN VAL 128 -2.668 -15.582 8.656 1014 HA VAL 128 HA VAL 128 -2.850 -12.648 8.535 1015 HB VAL 128 HB VAL 128 -1.102 -13.577 7.114 1016 HG11 VAL 128 1HG1 VAL 128 -2.012 -15.794 6.748 1017 HG12 VAL 128 2HG1 VAL 128 -1.632 -15.019 5.210 1018 HG13 VAL 128 3HG1 VAL 128 -3.305 -15.120 5.758 1019 HG21 VAL 128 3HG2 VAL 128 -1.774 -12.591 4.962 1020 HG22 VAL 128 1HG2 VAL 128 -2.207 -11.569 6.334 1021 HG23 VAL 128 2HG2 VAL 128 -3.444 -12.533 5.528 1022 H ASP 129 HN ASP 129 -4.647 -11.647 7.792 1023 HA ASP 129 HA ASP 129 -6.874 -13.351 6.867 1024 HB2 ASP 129 2HB ASP 129 -7.176 -12.346 9.160 1025 HB3 ASP 129 1HB ASP 129 -7.145 -10.757 8.402 1026 H GLU 130 HN GLU 130 -7.648 -12.864 4.898 1027 HA GLU 130 HA GLU 130 -6.467 -10.614 3.506 1028 HB2 GLU 130 2HB GLU 130 -7.447 -11.648 1.507 1029 HB3 GLU 130 1HB GLU 130 -6.466 -12.789 2.408 1030 HG2 GLU 130 2HG GLU 130 -8.534 -13.714 3.392 1031 HG3 GLU 130 1HG GLU 130 -9.469 -12.617 2.380 1032 H GLU 131 HN GLU 131 -7.489 -8.779 2.997 1033 HA GLU 131 HA GLU 131 -10.396 -8.647 3.449 1034 HB2 GLU 131 2HB GLU 131 -8.849 -7.151 4.833 1035 HB3 GLU 131 1HB GLU 131 -8.520 -6.286 3.338 1036 HG2 GLU 131 2HG GLU 131 -10.784 -5.594 3.139 1037 HG3 GLU 131 1HG GLU 131 -11.293 -6.673 4.435 1038 H GLU 132 HN GLU 132 -11.499 -6.988 1.972 1039 HA GLU 132 HA GLU 132 -10.524 -7.596 -0.737 1040 HB2 GLU 132 2HB GLU 132 -12.669 -8.644 -0.113 1041 HB3 GLU 132 1HB GLU 132 -13.350 -7.050 0.182 1042 HG2 GLU 132 2HG GLU 132 -13.271 -6.484 -2.099 1043 HG3 GLU 132 1HG GLU 132 -12.238 -7.862 -2.484 1044 H ILE 133 HN ILE 133 -10.422 -6.039 -2.282 1045 HA ILE 133 HA ILE 133 -10.540 -3.277 -1.292 1046 HB ILE 133 HB ILE 133 -9.148 -4.282 -3.780 1047 HG12 ILE 133 2HG1 ILE 133 -7.985 -3.729 -1.038 1048 HG13 ILE 133 1HG1 ILE 133 -8.174 -5.321 -1.773 1049 HG21 ILE 133 1HG2 ILE 133 -9.678 -1.921 -3.840 1050 HG22 ILE 133 2HG2 ILE 133 -7.940 -2.141 -3.630 1051 HG23 ILE 133 3HG2 ILE 133 -8.944 -1.691 -2.253 1052 HD11 ILE 133 3HD1 ILE 133 -5.879 -4.495 -1.905 1053 HD12 ILE 133 1HD1 ILE 133 -6.435 -3.101 -2.833 1054 HD13 ILE 133 2HD1 ILE 133 -6.588 -4.724 -3.503 1055 H ILE 134 HN ILE 134 -11.997 -1.905 -2.081 1056 HA ILE 134 HA ILE 134 -13.573 -2.733 -4.410 1057 HB ILE 134 HB ILE 134 -14.136 -0.784 -2.184 1058 HG12 ILE 134 2HG1 ILE 134 -16.258 -2.090 -2.046 1059 HG13 ILE 134 1HG1 ILE 134 -15.666 -3.138 -3.327 1060 HG21 ILE 134 1HG2 ILE 134 -16.170 -0.085 -3.364 1061 HG22 ILE 134 2HG2 ILE 134 -15.651 -0.995 -4.783 1062 HG23 ILE 134 3HG2 ILE 134 -14.708 0.391 -4.229 1063 HD11 ILE 134 3HD1 ILE 134 -14.399 -2.796 -0.623 1064 HD12 ILE 134 1HD1 ILE 134 -13.847 -3.879 -1.897 1065 HD13 ILE 134 2HD1 ILE 134 -15.410 -4.150 -1.127 1066 H LEU 135 HN LEU 135 -13.235 -1.806 -6.314 1067 HA LEU 135 HA LEU 135 -11.392 0.471 -6.411 1068 HB2 LEU 135 2HB LEU 135 -12.080 -1.548 -8.546 1069 HB3 LEU 135 1HB LEU 135 -10.878 -0.283 -8.681 1070 HG LEU 135 HG LEU 135 -10.752 -2.611 -6.767 1071 HD11 LEU 135 1HD1 LEU 135 -8.918 -3.388 -8.179 1072 HD12 LEU 135 2HD1 LEU 135 -9.201 -2.045 -9.286 1073 HD13 LEU 135 3HD1 LEU 135 -10.431 -3.292 -9.081 1074 HD21 LEU 135 3HD2 LEU 135 -8.747 -0.441 -7.359 1075 HD22 LEU 135 1HD2 LEU 135 -8.481 -1.839 -6.317 1076 HD23 LEU 135 2HD2 LEU 135 -9.675 -0.622 -5.870 1077 H LYS 136 HN LYS 136 -11.984 2.355 -7.243 1078 HA LYS 136 HA LYS 136 -14.461 2.499 -8.838 1079 HB2 LYS 136 2HB LYS 136 -13.207 4.437 -6.921 1080 HB3 LYS 136 1HB LYS 136 -14.212 5.036 -8.228 1081 HG2 LYS 136 2HG LYS 136 -15.729 4.884 -6.527 1082 HG3 LYS 136 1HG LYS 136 -15.943 3.316 -7.303 1083 HD2 LYS 136 2HD LYS 136 -14.599 2.242 -5.635 1084 HD3 LYS 136 1HD LYS 136 -14.148 3.797 -4.929 1085 HE2 LYS 136 2HE LYS 136 -16.905 2.579 -5.000 1086 HE3 LYS 136 1HE LYS 136 -15.867 2.742 -3.585 1087 HZ1 LYS 136 3HZ LYS 136 -17.559 4.466 -3.639 1088 HZ2 LYS 136 1HZ LYS 136 -17.020 4.986 -5.160 1089 HZ3 LYS 136 2HZ LYS 136 -16.015 5.157 -3.806 1090 H GLU 137 HN GLU 137 -14.431 3.824 -10.721 1091 HA GLU 137 HA GLU 137 -11.858 4.002 -11.995 1092 HB2 GLU 137 2HB GLU 137 -14.678 4.435 -12.851 1093 HB3 GLU 137 1HB GLU 137 -13.404 5.191 -13.790 1094 HG2 GLU 137 2HG GLU 137 -14.024 3.078 -14.771 1095 HG3 GLU 137 1HG GLU 137 -12.375 2.995 -14.155 1096 H GLU 138 HN GLU 138 -13.953 6.086 -10.303 1097 HA GLU 138 HA GLU 138 -12.313 8.415 -11.049 1098 HB2 GLU 138 2HB GLU 138 -14.658 8.653 -11.739 1099 HB3 GLU 138 1HB GLU 138 -15.187 8.331 -10.094 1100 HG2 GLU 138 2HG GLU 138 -14.181 10.382 -9.324 1101 HG3 GLU 138 1HG GLU 138 -13.506 10.687 -10.924 1102 H LEU 139 HN LEU 139 -11.821 9.915 -9.330 1103 HA LEU 139 HA LEU 139 -11.008 8.717 -6.928 1104 HB2 LEU 139 2HB LEU 139 -11.404 11.617 -7.631 1105 HB3 LEU 139 1HB LEU 139 -10.672 11.068 -6.135 1106 HG LEU 139 HG LEU 139 -9.587 10.551 -8.904 1107 HD11 LEU 139 1HD1 LEU 139 -9.409 12.898 -8.213 1108 HD12 LEU 139 2HD1 LEU 139 -7.832 12.112 -8.295 1109 HD13 LEU 139 3HD1 LEU 139 -8.598 12.390 -6.729 1110 HD21 LEU 139 3HD2 LEU 139 -9.044 8.752 -7.361 1111 HD22 LEU 139 1HD2 LEU 139 -8.449 9.922 -6.183 1112 HD23 LEU 139 2HD2 LEU 139 -7.610 9.714 -7.721 1113 H GLU 140 HN GLU 140 -11.759 9.051 -4.784 1114 HA GLU 140 HA GLU 140 -14.553 8.803 -4.519 1115 HB2 GLU 140 2HB GLU 140 -12.360 9.180 -2.492 1116 HB3 GLU 140 1HB GLU 140 -14.054 9.042 -2.031 1117 HG2 GLU 140 2HG GLU 140 -12.417 6.989 -3.504 1118 HG3 GLU 140 1HG GLU 140 -12.987 6.894 -1.837 1119 H HIS 141 HN HIS 141 -15.985 10.175 -3.293 1120 HA HIS 141 HA HIS 141 -15.876 12.695 -4.638 1121 HB2 HIS 141 2HB HIS 141 -17.964 11.552 -2.779 1122 HB3 HIS 141 1HB HIS 141 -18.149 13.033 -3.713 1123 HD1 HIS 141 1HD HIS 141 -18.150 12.718 -6.377 1124 HD2 HIS 141 2HD HIS 141 -18.573 9.250 -4.118 1125 HE1 HIS 141 1HE HIS 141 -19.039 10.976 -7.963 1126 HE2 HIS 141 2HE HIS 141 -19.427 8.934 -6.538 1127 H HIS 142 HN HIS 142 -14.247 13.893 -3.692 1128 HA HIS 142 HA HIS 142 -14.552 14.814 -0.978 1129 HB2 HIS 142 2HB HIS 142 -12.741 15.458 -3.256 1130 HB3 HIS 142 1HB HIS 142 -12.974 16.701 -2.031 1131 HD1 HIS 142 1HD HIS 142 -11.053 16.643 -0.498 1132 HD2 HIS 142 2HD HIS 142 -12.250 12.820 -1.617 1133 HE1 HIS 142 1HE HIS 142 -9.578 15.061 0.789 1134 HE2 HIS 142 2HE HIS 142 -10.489 12.766 0.274 1135 H HIS 143 HN HIS 143 -15.978 16.260 -0.333 1136 HA HIS 143 HA HIS 143 -17.892 17.304 -2.125 1137 HB2 HIS 143 2HB HIS 143 -17.290 17.954 0.761 1138 HB3 HIS 143 1HB HIS 143 -18.658 18.628 -0.120 1139 HD1 HIS 143 1HD HIS 143 -18.291 16.308 2.334 1140 HD2 HIS 143 2HD HIS 143 -19.905 16.024 -1.491 1141 HE1 HIS 143 1HE HIS 143 -19.823 14.309 2.387 1142 HE2 HIS 143 2HE HIS 143 -20.945 14.299 0.125 1143 H HIS 144 HN HIS 144 -17.728 18.917 -3.448 1144 HA HIS 144 HA HIS 144 -17.174 20.876 -4.417 1145 HB2 HIS 144 2HB HIS 144 -16.823 21.499 -1.582 1146 HB3 HIS 144 1HB HIS 144 -15.796 22.465 -2.637 1147 HD1 HIS 144 1HD HIS 144 -19.347 21.927 -1.650 1148 HD2 HIS 144 2HD HIS 144 -17.170 24.196 -4.379 1149 HE1 HIS 144 1HE HIS 144 -20.935 23.684 -2.499 1150 HE2 HIS 144 2HE HIS 144 -19.537 25.163 -3.990 1151 H HIS 145 HN HIS 145 -15.772 20.081 -5.852 1152 HA HIS 145 HA HIS 145 -12.986 19.660 -5.228 1153 HB2 HIS 145 2HB HIS 145 -14.369 18.445 -7.026 1154 HB3 HIS 145 1HB HIS 145 -14.200 19.910 -7.984 1155 HD1 HIS 145 1HD HIS 145 -12.636 16.741 -7.393 1156 HD2 HIS 145 2HD HIS 145 -11.317 20.552 -8.427 1157 HE1 HIS 145 1HE HIS 145 -10.332 16.428 -8.362 1158 HE2 HIS 145 2HE HIS 145 -9.632 18.718 -9.148 1159 H HIS 146 HN HIS 146 -15.026 22.064 -6.731 1160 HA HIS 146 HA HIS 146 -13.330 24.193 -5.921 1161 HB2 HIS 146 2HB HIS 146 -12.121 23.529 -7.998 1162 HB3 HIS 146 1HB HIS 146 -13.608 23.769 -8.914 1163 HD1 HIS 146 1HD HIS 146 -10.621 25.504 -7.807 1164 HD2 HIS 146 2HD HIS 146 -14.517 26.581 -8.802 1165 HE1 HIS 146 1HE HIS 146 -10.564 27.988 -8.210 1166 HE2 HIS 146 2HE HIS 146 -12.967 28.638 -8.596 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -13.538 -2.660 4.608 2 H2 MET 1 H2 MET 1 -12.228 -3.678 4.950 3 H3 MET 1 H3 MET 1 -13.681 -4.328 4.381 4 HA MET 1 HA MET 1 -11.971 -4.240 2.665 5 HB2 MET 1 2HB MET 1 -13.358 -3.396 0.935 6 HB3 MET 1 1HB MET 1 -14.446 -4.027 2.161 7 HG2 MET 1 2HG MET 1 -13.738 -1.126 1.798 8 HG3 MET 1 1HG MET 1 -15.199 -1.901 1.192 9 HE1 MET 1 2HE MET 1 -16.695 -0.069 2.387 10 HE2 MET 1 3HE MET 1 -15.232 0.723 2.977 11 HE3 MET 1 1HE MET 1 -16.544 0.348 4.094 12 H ILE 2 HN ILE 2 -10.598 -2.992 1.352 13 HA ILE 2 HA ILE 2 -10.082 -0.287 2.386 14 HB ILE 2 HB ILE 2 -8.133 -1.714 2.622 15 HG12 ILE 2 2HG1 ILE 2 -7.755 0.199 0.309 16 HG13 ILE 2 1HG1 ILE 2 -7.811 0.664 2.006 17 HG21 ILE 2 1HG2 ILE 2 -8.614 -3.378 0.933 18 HG22 ILE 2 2HG2 ILE 2 -7.005 -2.705 0.676 19 HG23 ILE 2 3HG2 ILE 2 -8.348 -2.194 -0.346 20 HD11 ILE 2 3HD1 ILE 2 -5.800 -0.627 2.439 21 HD12 ILE 2 1HD1 ILE 2 -5.531 0.564 1.166 22 HD13 ILE 2 2HD1 ILE 2 -5.753 -1.136 0.750 23 H THR 3 HN THR 3 -10.505 1.387 1.115 24 HA THR 3 HA THR 3 -11.429 0.769 -1.607 25 HB THR 3 HB THR 3 -12.139 3.206 0.028 26 HG1 THR 3 1HG THR 3 -13.023 1.615 1.229 27 HG21 THR 3 3HG2 THR 3 -14.071 3.281 -1.481 28 HG22 THR 3 1HG2 THR 3 -13.463 1.859 -2.325 29 HG23 THR 3 2HG2 THR 3 -12.551 3.369 -2.373 30 H LEU 4 HN LEU 4 -10.159 1.422 -3.207 31 HA LEU 4 HA LEU 4 -8.923 4.061 -3.028 32 HB2 LEU 4 2HB LEU 4 -6.860 3.163 -4.151 33 HB3 LEU 4 1HB LEU 4 -7.055 2.740 -2.469 34 HG LEU 4 HG LEU 4 -8.057 0.518 -3.419 35 HD11 LEU 4 1HD1 LEU 4 -6.398 1.478 -5.744 36 HD12 LEU 4 2HD1 LEU 4 -8.140 1.203 -5.747 37 HD13 LEU 4 3HD1 LEU 4 -7.032 -0.154 -5.540 38 HD21 LEU 4 3HD2 LEU 4 -5.110 1.139 -3.551 39 HD22 LEU 4 1HD2 LEU 4 -5.825 -0.467 -3.421 40 HD23 LEU 4 2HD2 LEU 4 -6.014 0.690 -2.103 41 H THR 5 HN THR 5 -8.142 4.750 -5.266 42 HA THR 5 HA THR 5 -10.418 4.165 -6.992 43 HB THR 5 HB THR 5 -9.955 6.196 -8.166 44 HG1 THR 5 1HG THR 5 -8.041 7.452 -7.168 45 HG21 THR 5 3HG2 THR 5 -9.577 6.593 -5.197 46 HG22 THR 5 1HG2 THR 5 -11.114 6.470 -6.054 47 HG23 THR 5 2HG2 THR 5 -10.054 7.849 -6.341 48 H LYS 6 HN LYS 6 -10.128 4.042 -9.303 49 HA LYS 6 HA LYS 6 -8.422 2.084 -10.234 50 HB2 LYS 6 2HB LYS 6 -9.594 4.417 -11.765 51 HB3 LYS 6 1HB LYS 6 -8.964 2.947 -12.481 52 HG2 LYS 6 2HG LYS 6 -11.283 3.008 -10.568 53 HG3 LYS 6 1HG LYS 6 -11.456 3.073 -12.323 54 HD2 LYS 6 2HD LYS 6 -10.325 0.906 -12.509 55 HD3 LYS 6 1HD LYS 6 -10.152 0.848 -10.755 56 HE2 LYS 6 2HE LYS 6 -12.032 -0.514 -11.518 57 HE3 LYS 6 1HE LYS 6 -12.567 0.818 -10.496 58 HZ1 LYS 6 3HZ LYS 6 -13.859 0.331 -12.625 59 HZ2 LYS 6 1HZ LYS 6 -12.571 1.063 -13.439 60 HZ3 LYS 6 2HZ LYS 6 -13.468 1.948 -12.302 61 H LYS 7 HN LYS 7 -8.035 5.573 -10.232 62 HA LYS 7 HA LYS 7 -5.652 5.711 -11.691 63 HB2 LYS 7 2HB LYS 7 -7.307 7.551 -11.198 64 HB3 LYS 7 1HB LYS 7 -6.624 7.638 -9.583 65 HG2 LYS 7 2HG LYS 7 -4.557 8.362 -10.383 66 HG3 LYS 7 1HG LYS 7 -4.956 7.953 -12.049 67 HD2 LYS 7 2HD LYS 7 -6.246 10.128 -10.393 68 HD3 LYS 7 1HD LYS 7 -5.072 10.368 -11.689 69 HE2 LYS 7 2HE LYS 7 -6.680 9.225 -13.235 70 HE3 LYS 7 1HE LYS 7 -7.864 9.256 -11.930 71 HZ1 LYS 7 3HZ LYS 7 -7.667 11.692 -11.904 72 HZ2 LYS 7 1HZ LYS 7 -8.204 11.113 -13.406 73 HZ3 LYS 7 2HZ LYS 7 -6.597 11.613 -13.217 74 H GLN 8 HN GLN 8 -6.285 5.469 -8.186 75 HA GLN 8 HA GLN 8 -3.604 5.662 -7.332 76 HB2 GLN 8 2HB GLN 8 -5.751 3.932 -6.081 77 HB3 GLN 8 1HB GLN 8 -4.301 4.533 -5.298 78 HG2 GLN 8 2HG GLN 8 -6.634 6.167 -6.249 79 HG3 GLN 8 1HG GLN 8 -6.238 5.771 -4.583 80 HE21 GLN 8 1HE2 GLN 8 -6.599 8.350 -5.717 81 HE22 GLN 8 2HE2 GLN 8 -5.124 9.211 -5.481 82 H MET 9 HN MET 9 -5.541 2.899 -8.395 83 HA MET 9 HA MET 9 -3.608 0.909 -7.963 84 HB2 MET 9 2HB MET 9 -5.970 0.404 -8.457 85 HB3 MET 9 1HB MET 9 -5.758 1.021 -10.089 86 HG2 MET 9 2HG MET 9 -5.717 -1.409 -10.049 87 HG3 MET 9 1HG MET 9 -4.168 -0.752 -10.575 88 HE1 MET 9 3HE MET 9 -4.895 -2.394 -6.324 89 HE2 MET 9 1HE MET 9 -6.127 -2.437 -7.584 90 HE3 MET 9 2HE MET 9 -5.583 -0.891 -6.938 91 H GLU 10 HN GLU 10 -4.332 2.876 -10.835 92 HA GLU 10 HA GLU 10 -2.334 1.931 -12.522 93 HB2 GLU 10 2HB GLU 10 -3.749 4.578 -12.248 94 HB3 GLU 10 1HB GLU 10 -2.585 4.280 -13.514 95 HG2 GLU 10 2HG GLU 10 -5.048 2.627 -13.064 96 HG3 GLU 10 1HG GLU 10 -4.940 3.965 -14.204 97 H GLU 11 HN GLU 11 -2.278 4.525 -10.102 98 HA GLU 11 HA GLU 11 0.298 5.485 -10.495 99 HB2 GLU 11 2HB GLU 11 -1.478 5.269 -8.073 100 HB3 GLU 11 1HB GLU 11 0.097 6.017 -7.985 101 HG2 GLU 11 2HG GLU 11 -2.123 6.902 -9.799 102 HG3 GLU 11 1HG GLU 11 -1.726 7.635 -8.246 103 H MET 12 HN MET 12 -0.834 2.853 -8.399 104 HA MET 12 HA MET 12 1.764 2.201 -7.433 105 HB2 MET 12 2HB MET 12 -0.824 0.644 -7.452 106 HB3 MET 12 1HB MET 12 0.645 0.070 -6.675 107 HG2 MET 12 2HG MET 12 0.627 2.061 -5.227 108 HG3 MET 12 1HG MET 12 -0.877 2.574 -5.987 109 HE1 MET 12 3HE MET 12 -3.149 1.257 -5.801 110 HE2 MET 12 1HE MET 12 -3.362 -0.230 -4.875 111 HE3 MET 12 2HE MET 12 -2.395 -0.238 -6.348 112 H LEU 13 HN LEU 13 -0.299 0.877 -9.986 113 HA LEU 13 HA LEU 13 1.333 -1.283 -10.711 114 HB2 LEU 13 2HB LEU 13 -0.708 0.321 -12.228 115 HB3 LEU 13 1HB LEU 13 0.124 -1.034 -12.959 116 HG LEU 13 HG LEU 13 -1.662 -1.140 -10.528 117 HD11 LEU 13 1HD1 LEU 13 -3.136 -2.448 -11.968 118 HD12 LEU 13 2HD1 LEU 13 -2.029 -2.216 -13.320 119 HD13 LEU 13 3HD1 LEU 13 -2.871 -0.831 -12.624 120 HD21 LEU 13 3HD2 LEU 13 -1.362 -3.559 -10.637 121 HD22 LEU 13 1HD2 LEU 13 0.175 -2.741 -10.354 122 HD23 LEU 13 2HD2 LEU 13 -0.211 -3.364 -11.959 123 H ALA 14 HN ALA 14 1.250 2.046 -11.935 124 HA ALA 14 HA ALA 14 3.218 1.749 -13.911 125 HB1 ALA 14 1HB ALA 14 3.481 4.173 -13.779 126 HB2 ALA 14 2HB ALA 14 2.577 4.197 -12.264 127 HB3 ALA 14 3HB ALA 14 1.779 3.718 -13.763 128 H HIS 15 HN HIS 15 3.484 2.635 -10.481 129 HA HIS 15 HA HIS 15 6.302 2.952 -10.520 130 HB2 HIS 15 2HB HIS 15 4.742 3.821 -8.745 131 HB3 HIS 15 1HB HIS 15 4.639 2.179 -8.124 132 HD1 HIS 15 1HD HIS 15 7.206 4.897 -8.722 133 HD2 HIS 15 2HD HIS 15 6.659 1.476 -6.416 134 HE1 HIS 15 1HE HIS 15 9.156 4.830 -7.135 135 HE2 HIS 15 2HE HIS 15 8.656 2.904 -5.586 136 H ALA 16 HN ALA 16 4.197 0.205 -9.950 137 HA ALA 16 HA ALA 16 6.099 -1.631 -9.023 138 HB1 ALA 16 1HB ALA 16 3.667 -2.183 -10.729 139 HB2 ALA 16 2HB ALA 16 3.696 -2.089 -8.967 140 HB3 ALA 16 3HB ALA 16 4.569 -3.377 -9.796 141 H ARG 17 HN ARG 17 5.038 -0.922 -12.332 142 HA ARG 17 HA ARG 17 6.906 -2.669 -13.575 143 HB2 ARG 17 2HB ARG 17 5.480 -0.245 -14.696 144 HB3 ARG 17 1HB ARG 17 6.341 -1.448 -15.646 145 HG2 ARG 17 2HG ARG 17 4.771 -3.164 -14.947 146 HG3 ARG 17 1HG ARG 17 3.924 -1.996 -13.932 147 HD2 ARG 17 2HD ARG 17 2.731 -2.311 -16.022 148 HD3 ARG 17 1HD ARG 17 3.382 -0.674 -15.934 149 HE ARG 17 HE ARG 17 5.119 -2.524 -17.294 150 HH11 ARG 17 1HH1 ARG 17 2.372 -0.374 -17.687 151 HH12 ARG 17 2HH1 ARG 17 2.658 -0.119 -19.380 152 HH21 ARG 17 1HH2 ARG 17 5.455 -2.214 -19.532 153 HH22 ARG 17 2HH2 ARG 17 4.382 -1.187 -20.433 154 H GLN 18 HN GLN 18 6.974 0.670 -12.570 155 HA GLN 18 HA GLN 18 9.353 1.479 -13.812 156 HB2 GLN 18 2HB GLN 18 7.702 2.991 -12.758 157 HB3 GLN 18 1HB GLN 18 8.181 2.396 -11.180 158 HG2 GLN 18 2HG GLN 18 10.420 3.289 -11.517 159 HG3 GLN 18 1HG GLN 18 9.948 3.880 -13.111 160 HE21 GLN 18 1HE2 GLN 18 8.515 5.628 -13.258 161 HE22 GLN 18 2HE2 GLN 18 8.226 6.694 -11.922 162 H ALA 19 HN ALA 19 8.755 -0.206 -10.788 163 HA ALA 19 HA ALA 19 11.591 -0.026 -10.080 164 HB1 ALA 19 1HB ALA 19 9.242 -0.967 -8.447 165 HB2 ALA 19 2HB ALA 19 9.972 0.638 -8.387 166 HB3 ALA 19 3HB ALA 19 10.894 -0.773 -7.861 167 H LEU 20 HN LEU 20 10.450 -1.907 -12.156 168 HA LEU 20 HA LEU 20 10.664 -4.546 -11.206 169 HB2 LEU 20 2HB LEU 20 11.127 -3.339 -13.930 170 HB3 LEU 20 1HB LEU 20 11.252 -5.060 -13.626 171 HG LEU 20 HG LEU 20 8.769 -3.390 -13.228 172 HD11 LEU 20 1HD1 LEU 20 7.895 -4.616 -15.139 173 HD12 LEU 20 2HD1 LEU 20 9.435 -5.455 -15.322 174 HD13 LEU 20 3HD1 LEU 20 9.344 -3.714 -15.583 175 HD21 LEU 20 3HD2 LEU 20 9.148 -6.376 -13.011 176 HD22 LEU 20 1HD2 LEU 20 7.640 -5.486 -12.798 177 HD23 LEU 20 2HD2 LEU 20 8.959 -5.277 -11.646 178 HA PRO 21 HA PRO 21 11.353 -6.346 -12.204 179 HB2 PRO 21 2HB PRO 21 12.917 -8.490 -12.363 180 HB3 PRO 21 1HB PRO 21 12.967 -7.247 -13.618 181 HG2 PRO 21 2HG PRO 21 14.942 -7.868 -11.505 182 HG3 PRO 21 1HG PRO 21 15.185 -7.098 -13.082 183 HD2 PRO 21 2HD PRO 21 14.853 -5.844 -10.497 184 HD3 PRO 21 1HD PRO 21 15.188 -5.074 -12.062 185 H ASN 22 HN ASN 22 12.156 -5.445 -9.410 186 HA ASN 22 HA ASN 22 11.780 -8.024 -8.045 187 HB2 ASN 22 2HB ASN 22 13.645 -5.812 -7.490 188 HB3 ASN 22 1HB ASN 22 12.823 -6.471 -6.079 189 HD21 ASN 22 1HD2 ASN 22 13.158 -8.628 -5.498 190 HD22 ASN 22 2HD2 ASN 22 14.513 -9.524 -6.108 191 H GLU 23 HN GLU 23 11.282 -7.213 -5.540 192 HA GLU 23 HA GLU 23 8.535 -6.675 -5.588 193 HB2 GLU 23 2HB GLU 23 10.563 -6.630 -3.348 194 HB3 GLU 23 1HB GLU 23 8.840 -6.428 -3.084 195 HG2 GLU 23 2HG GLU 23 9.540 -8.702 -2.616 196 HG3 GLU 23 1HG GLU 23 8.422 -8.655 -3.974 197 H ALA 24 HN ALA 24 7.984 -4.750 -6.524 198 HA ALA 24 HA ALA 24 9.148 -2.252 -5.816 199 HB1 ALA 24 1HB ALA 24 8.041 -2.565 -7.962 200 HB2 ALA 24 2HB ALA 24 7.266 -1.269 -7.050 201 HB3 ALA 24 3HB ALA 24 6.507 -2.859 -7.142 202 H CYS 25 HN CYS 25 8.791 -1.083 -4.054 203 HA CYS 25 HA CYS 25 6.452 -1.758 -2.410 204 HB2 CYS 25 2HB CYS 25 9.169 -0.812 -1.487 205 HB3 CYS 25 1HB CYS 25 7.807 -1.208 -0.445 206 HG CYS 25 HG CYS 25 9.405 -3.463 -2.477 207 H GLY 26 HN GLY 26 5.818 0.010 -0.887 208 HA2 GLY 26 2HA GLY 26 6.530 2.700 -1.288 209 HA3 GLY 26 1HA GLY 26 5.113 2.337 -2.269 210 H LEU 27 HN LEU 27 4.341 4.100 -0.642 211 HA LEU 27 HA LEU 27 3.265 2.704 1.723 212 HB2 LEU 27 2HB LEU 27 4.138 5.589 1.523 213 HB3 LEU 27 1HB LEU 27 3.320 4.885 2.904 214 HG LEU 27 HG LEU 27 6.053 4.081 1.898 215 HD11 LEU 27 1HD1 LEU 27 6.073 6.295 2.894 216 HD12 LEU 27 2HD1 LEU 27 6.863 5.131 3.958 217 HD13 LEU 27 3HD1 LEU 27 5.226 5.681 4.313 218 HD21 LEU 27 3HD2 LEU 27 4.877 2.218 2.935 219 HD22 LEU 27 1HD2 LEU 27 4.509 3.217 4.341 220 HD23 LEU 27 2HD2 LEU 27 6.180 2.788 3.978 221 H LEU 28 HN LEU 28 1.196 3.430 2.461 222 HA LEU 28 HA LEU 28 -0.433 4.547 0.270 223 HB2 LEU 28 2HB LEU 28 -1.191 2.544 2.400 224 HB3 LEU 28 1HB LEU 28 -2.293 3.211 1.212 225 HG LEU 28 HG LEU 28 0.136 1.557 0.523 226 HD11 LEU 28 1HD1 LEU 28 -2.768 0.781 0.692 227 HD12 LEU 28 2HD1 LEU 28 -1.474 0.226 1.754 228 HD13 LEU 28 3HD1 LEU 28 -1.473 -0.228 0.049 229 HD21 LEU 28 3HD2 LEU 28 -0.886 1.432 -1.684 230 HD22 LEU 28 1HD2 LEU 28 -0.589 3.111 -1.235 231 HD23 LEU 28 2HD2 LEU 28 -2.220 2.447 -1.139 232 H GLY 29 HN GLY 29 -1.588 6.330 0.672 233 HA2 GLY 29 2HA GLY 29 -1.871 7.148 3.492 234 HA3 GLY 29 1HA GLY 29 -1.480 8.281 2.206 235 H GLY 30 HN GLY 30 -3.783 7.811 4.167 236 HA2 GLY 30 2HA GLY 30 -5.818 8.944 2.630 237 HA3 GLY 30 1HA GLY 30 -6.102 7.207 2.689 238 H ARG 31 HN ARG 31 -7.968 7.366 3.954 239 HA ARG 31 HA ARG 31 -7.410 8.162 6.733 240 HB2 ARG 31 2HB ARG 31 -10.045 8.505 5.295 241 HB3 ARG 31 1HB ARG 31 -9.732 8.890 6.981 242 HG2 ARG 31 2HG ARG 31 -7.888 10.442 5.974 243 HG3 ARG 31 1HG ARG 31 -8.875 10.322 4.517 244 HD2 ARG 31 2HD ARG 31 -9.609 12.246 5.714 245 HD3 ARG 31 1HD ARG 31 -10.843 10.998 5.902 246 HE ARG 31 HE ARG 31 -8.845 11.655 7.977 247 HH11 ARG 31 1HH1 ARG 31 -12.063 10.647 7.029 248 HH12 ARG 31 2HH1 ARG 31 -12.666 10.580 8.656 249 HH21 ARG 31 1HH2 ARG 31 -9.612 11.562 10.108 250 HH22 ARG 31 2HH2 ARG 31 -11.271 11.123 10.421 251 H ARG 32 HN ARG 32 -8.056 6.788 8.301 252 HA ARG 32 HA ARG 32 -9.705 4.501 7.475 253 HB2 ARG 32 2HB ARG 32 -8.513 3.053 8.998 254 HB3 ARG 32 1HB ARG 32 -7.359 3.801 7.912 255 HG2 ARG 32 2HG ARG 32 -6.762 5.404 9.677 256 HG3 ARG 32 1HG ARG 32 -7.895 4.601 10.763 257 HD2 ARG 32 2HD ARG 32 -6.575 2.473 10.291 258 HD3 ARG 32 1HD ARG 32 -5.346 3.529 9.594 259 HE ARG 32 HE ARG 32 -6.194 3.481 12.415 260 HH11 ARG 32 1HH1 ARG 32 -3.875 4.436 9.950 261 HH12 ARG 32 2HH1 ARG 32 -2.748 5.074 11.102 262 HH21 ARG 32 1HH2 ARG 32 -4.704 4.296 13.899 263 HH22 ARG 32 2HH2 ARG 32 -3.215 4.997 13.343 264 H ASP 33 HN ASP 33 -11.527 4.295 8.562 265 HA ASP 33 HA ASP 33 -11.767 5.727 11.131 266 HB2 ASP 33 2HB ASP 33 -12.963 6.844 9.174 267 HB3 ASP 33 1HB ASP 33 -14.020 5.437 9.139 268 H GLY 34 HN GLY 34 -11.562 4.005 12.443 269 HA2 GLY 34 2HA GLY 34 -12.284 2.157 13.611 270 HA3 GLY 34 1HA GLY 34 -13.738 2.164 12.622 271 H ASP 35 HN ASP 35 -13.904 0.825 10.921 272 HA ASP 35 HA ASP 35 -11.679 -1.068 10.534 273 HB2 ASP 35 2HB ASP 35 -13.813 -1.987 11.443 274 HB3 ASP 35 1HB ASP 35 -14.626 -1.471 9.970 275 H ASP 36 HN ASP 36 -13.334 1.467 9.067 276 HA ASP 36 HA ASP 36 -13.068 0.417 6.357 277 HB2 ASP 36 2HB ASP 36 -14.017 3.163 7.098 278 HB3 ASP 36 1HB ASP 36 -14.304 2.291 5.607 279 H ARG 37 HN ARG 37 -11.774 1.225 4.852 280 HA ARG 37 HA ARG 37 -9.716 3.156 5.634 281 HB2 ARG 37 2HB ARG 37 -9.288 0.402 4.472 282 HB3 ARG 37 1HB ARG 37 -8.048 1.650 4.438 283 HG2 ARG 37 2HG ARG 37 -7.859 1.686 6.777 284 HG3 ARG 37 1HG ARG 37 -9.369 0.802 6.993 285 HD2 ARG 37 2HD ARG 37 -7.052 -0.446 5.561 286 HD3 ARG 37 1HD ARG 37 -7.122 -0.436 7.321 287 HE ARG 37 HE ARG 37 -9.032 -1.799 5.534 288 HH11 ARG 37 1HH1 ARG 37 -7.668 -1.307 8.721 289 HH12 ARG 37 2HH1 ARG 37 -8.397 -2.728 9.404 290 HH21 ARG 37 1HH2 ARG 37 -10.002 -3.674 6.409 291 HH22 ARG 37 2HH2 ARG 37 -9.750 -4.064 8.091 292 H TRP 38 HN TRP 38 -9.430 4.721 4.156 293 HA TRP 38 HA TRP 38 -10.183 4.168 1.348 294 HB2 TRP 38 2HB TRP 38 -10.533 6.791 2.824 295 HB3 TRP 38 1HB TRP 38 -10.961 6.480 1.146 296 HD1 TRP 38 1HD TRP 38 -13.072 4.747 0.760 297 HE1 TRP 38 1HE TRP 38 -15.173 4.384 2.210 298 HE3 TRP 38 3HE TRP 38 -11.391 6.786 5.132 299 HZ2 TRP 38 2HZ TRP 38 -15.996 4.895 4.865 300 HZ3 TRP 38 3HZ TRP 38 -12.894 6.812 7.078 301 HH2 TRP 38 2HH TRP 38 -15.148 5.887 6.946 302 H VAL 39 HN VAL 39 -8.630 4.602 -0.135 303 HA VAL 39 HA VAL 39 -6.271 6.141 0.749 304 HB VAL 39 HB VAL 39 -6.498 4.161 -1.524 305 HG11 VAL 39 1HG1 VAL 39 -4.052 4.335 -1.639 306 HG12 VAL 39 2HG1 VAL 39 -4.096 5.606 -0.417 307 HG13 VAL 39 3HG1 VAL 39 -4.846 5.870 -1.992 308 HG21 VAL 39 3HG2 VAL 39 -6.633 3.054 0.641 309 HG22 VAL 39 1HG2 VAL 39 -5.166 3.879 1.170 310 HG23 VAL 39 2HG2 VAL 39 -5.094 2.700 -0.141 311 H GLU 40 HN GLU 40 -5.993 8.115 -0.110 312 HA GLU 40 HA GLU 40 -7.145 8.645 -2.776 313 HB2 GLU 40 2HB GLU 40 -8.037 9.866 -0.589 314 HB3 GLU 40 1HB GLU 40 -6.636 10.886 -0.868 315 HG2 GLU 40 2HG GLU 40 -8.701 10.364 -2.989 316 HG3 GLU 40 1HG GLU 40 -8.846 11.665 -1.816 317 H ARG 41 HN ARG 41 -4.355 8.803 -0.700 318 HA ARG 41 HA ARG 41 -2.884 9.858 -3.008 319 HB2 ARG 41 2HB ARG 41 -3.193 11.616 -1.262 320 HB3 ARG 41 1HB ARG 41 -2.259 10.613 -0.158 321 HG2 ARG 41 2HG ARG 41 -0.877 12.345 -1.151 322 HG3 ARG 41 1HG ARG 41 -0.333 10.751 -1.655 323 HD2 ARG 41 2HD ARG 41 -2.313 12.068 -3.404 324 HD3 ARG 41 1HD ARG 41 -0.718 12.816 -3.347 325 HE ARG 41 HE ARG 41 0.148 10.528 -3.941 326 HH11 ARG 41 1HH1 ARG 41 -3.111 11.503 -4.807 327 HH12 ARG 41 2HH1 ARG 41 -3.154 10.506 -6.225 328 HH21 ARG 41 1HH2 ARG 41 0.083 9.213 -5.806 329 HH22 ARG 41 2HH2 ARG 41 -1.352 9.185 -6.782 330 H VAL 42 HN VAL 42 -1.537 8.437 -3.683 331 HA VAL 42 HA VAL 42 -0.293 6.565 -1.795 332 HB VAL 42 HB VAL 42 -0.432 6.444 -4.821 333 HG11 VAL 42 1HG1 VAL 42 1.613 5.424 -4.014 334 HG12 VAL 42 2HG1 VAL 42 0.495 4.180 -4.575 335 HG13 VAL 42 3HG1 VAL 42 0.702 4.465 -2.847 336 HG21 VAL 42 3HG2 VAL 42 -2.586 5.999 -3.802 337 HG22 VAL 42 1HG2 VAL 42 -1.856 4.815 -2.719 338 HG23 VAL 42 2HG2 VAL 42 -1.904 4.511 -4.456 339 H TYR 43 HN TYR 43 1.854 6.650 -1.424 340 HA TYR 43 HA TYR 43 3.421 8.566 -3.007 341 HB2 TYR 43 2HB TYR 43 3.649 7.780 -0.107 342 HB3 TYR 43 1HB TYR 43 4.981 8.545 -0.965 343 HD1 TYR 43 2HD TYR 43 3.500 10.497 -2.649 344 HD2 TYR 43 1HD TYR 43 2.966 9.408 1.428 345 HE1 TYR 43 2HE TYR 43 2.521 12.704 -2.195 346 HE2 TYR 43 1HE TYR 43 1.985 11.616 1.892 347 HH TYR 43 HH TYR 43 2.117 13.941 0.880 348 HA PRO 44 HA PRO 44 5.105 4.486 -4.185 349 HB2 PRO 44 2HB PRO 44 5.920 6.017 -6.560 350 HB3 PRO 44 1HB PRO 44 4.966 4.536 -6.454 351 HG2 PRO 44 2HG PRO 44 3.856 6.882 -7.138 352 HG3 PRO 44 1HG PRO 44 2.980 5.675 -6.176 353 HD2 PRO 44 2HD PRO 44 4.370 8.172 -5.275 354 HD3 PRO 44 1HD PRO 44 2.803 7.507 -4.763 355 H LEU 45 HN LEU 45 6.754 4.552 -2.673 356 HA LEU 45 HA LEU 45 8.943 6.433 -3.020 357 HB2 LEU 45 2HB LEU 45 7.784 5.861 -0.811 358 HB3 LEU 45 1HB LEU 45 8.643 4.335 -0.883 359 HG LEU 45 HG LEU 45 10.783 5.538 -0.849 360 HD11 LEU 45 1HD1 LEU 45 10.092 7.609 -1.913 361 HD12 LEU 45 2HD1 LEU 45 10.817 7.936 -0.339 362 HD13 LEU 45 3HD1 LEU 45 9.065 7.996 -0.533 363 HD21 LEU 45 3HD2 LEU 45 10.685 6.241 1.467 364 HD22 LEU 45 1HD2 LEU 45 9.728 4.781 1.234 365 HD23 LEU 45 2HD2 LEU 45 8.927 6.345 1.386 366 H ASN 46 HN ASN 46 11.200 5.383 -2.478 367 HA ASN 46 HA ASN 46 11.525 3.175 -4.384 368 HB2 ASN 46 2HB ASN 46 12.808 5.182 -4.904 369 HB3 ASN 46 1HB ASN 46 13.538 5.167 -3.304 370 HD21 ASN 46 1HD2 ASN 46 15.199 3.750 -2.873 371 HD22 ASN 46 2HD2 ASN 46 15.980 2.810 -4.093 372 H ASN 47 HN ASN 47 12.625 1.323 -3.852 373 HA ASN 47 HA ASN 47 12.831 0.732 -1.016 374 HB2 ASN 47 2HB ASN 47 11.739 -0.949 -2.355 375 HB3 ASN 47 1HB ASN 47 13.087 -0.996 -3.485 376 HD21 ASN 47 1HD2 ASN 47 13.175 -3.260 -3.135 377 HD22 ASN 47 2HD2 ASN 47 13.962 -3.902 -1.735 378 H LEU 48 HN LEU 48 14.632 0.991 0.057 379 HA LEU 48 HA LEU 48 17.033 1.819 -1.211 380 HB2 LEU 48 2HB LEU 48 16.269 1.203 1.627 381 HB3 LEU 48 1HB LEU 48 17.916 1.610 1.197 382 HG LEU 48 HG LEU 48 16.694 3.534 2.083 383 HD11 LEU 48 1HD1 LEU 48 17.251 5.125 0.335 384 HD12 LEU 48 2HD1 LEU 48 17.336 3.818 -0.844 385 HD13 LEU 48 3HD1 LEU 48 18.499 3.887 0.479 386 HD21 LEU 48 3HD2 LEU 48 14.916 3.242 -0.328 387 HD22 LEU 48 1HD2 LEU 48 14.896 4.580 0.820 388 HD23 LEU 48 2HD2 LEU 48 14.446 2.959 1.348 389 H ASP 49 HN ASP 49 15.861 -1.265 -0.109 390 HA ASP 49 HA ASP 49 18.562 -2.396 -0.353 391 HB2 ASP 49 2HB ASP 49 16.049 -3.494 0.889 392 HB3 ASP 49 1HB ASP 49 17.458 -4.493 0.579 393 H GLN 50 HN GLN 50 18.850 -2.630 -2.526 394 HA GLN 50 HA GLN 50 16.845 -3.833 -4.189 395 HB2 GLN 50 2HB GLN 50 18.571 -2.245 -5.057 396 HB3 GLN 50 1HB GLN 50 19.794 -3.473 -4.764 397 HG2 GLN 50 2HG GLN 50 19.147 -3.423 -7.100 398 HG3 GLN 50 1HG GLN 50 18.709 -4.960 -6.355 399 HE21 GLN 50 1HE2 GLN 50 17.527 -1.993 -7.729 400 HE22 GLN 50 2HE2 GLN 50 15.869 -2.475 -7.837 401 H SER 51 HN SER 51 16.402 -5.685 -2.928 402 HA SER 51 HA SER 51 18.075 -7.968 -3.549 403 HB2 SER 51 2HB SER 51 17.447 -7.237 -0.674 404 HB3 SER 51 1HB SER 51 18.287 -8.688 -1.214 405 HG SER 51 HG SER 51 19.389 -6.344 -2.133 406 HA PRO 52 HA PRO 52 13.985 -9.750 -3.593 407 HB2 PRO 52 2HB PRO 52 15.174 -12.401 -3.393 408 HB3 PRO 52 1HB PRO 52 14.381 -11.643 -4.776 409 HG2 PRO 52 2HG PRO 52 17.044 -12.159 -4.710 410 HG3 PRO 52 1HG PRO 52 16.344 -10.804 -5.611 411 HD2 PRO 52 2HD PRO 52 17.693 -10.804 -2.933 412 HD3 PRO 52 1HD PRO 52 17.846 -9.645 -4.274 413 H GLU 53 HN GLU 53 16.191 -10.071 -1.050 414 HA GLU 53 HA GLU 53 14.237 -11.496 0.631 415 HB2 GLU 53 2HB GLU 53 17.226 -11.233 0.969 416 HB3 GLU 53 1HB GLU 53 16.152 -12.062 2.085 417 HG2 GLU 53 2HG GLU 53 15.611 -13.708 0.419 418 HG3 GLU 53 1HG GLU 53 16.549 -12.832 -0.793 419 H HIS 54 HN HIS 54 15.440 -8.459 0.021 420 HA HIS 54 HA HIS 54 14.726 -7.555 2.713 421 HB2 HIS 54 2HB HIS 54 17.288 -6.937 1.284 422 HB3 HIS 54 1HB HIS 54 16.623 -5.819 2.452 423 HD1 HIS 54 1HD HIS 54 17.104 -6.250 4.855 424 HD2 HIS 54 2HD HIS 54 18.021 -9.486 2.422 425 HE1 HIS 54 1HE HIS 54 18.338 -7.872 6.329 426 HE2 HIS 54 2HE HIS 54 19.100 -9.698 4.768 427 H PHE 55 HN PHE 55 13.789 -5.579 2.808 428 HA PHE 55 HA PHE 55 13.787 -3.787 0.589 429 HB2 PHE 55 2HB PHE 55 11.289 -3.744 0.339 430 HB3 PHE 55 1HB PHE 55 12.060 -5.198 -0.274 431 HD1 PHE 55 1HD PHE 55 11.840 -7.325 0.965 432 HD2 PHE 55 2HD PHE 55 9.705 -3.826 2.107 433 HE1 PHE 55 1HE PHE 55 10.293 -8.706 2.281 434 HE2 PHE 55 2HE PHE 55 8.154 -5.204 3.435 435 HZ PHE 55 HZ PHE 55 8.448 -7.647 3.520 436 H SER 56 HN SER 56 13.748 -1.812 1.321 437 HA SER 56 HA SER 56 12.406 -1.170 3.834 438 HB2 SER 56 2HB SER 56 15.298 -0.424 3.340 439 HB3 SER 56 1HB SER 56 14.357 -0.130 4.800 440 HG SER 56 HG SER 56 15.642 -2.416 3.932 441 H MET 57 HN MET 57 11.816 0.998 3.976 442 HA MET 57 HA MET 57 12.157 2.517 1.487 443 HB2 MET 57 2HB MET 57 10.027 2.622 3.619 444 HB3 MET 57 1HB MET 57 10.201 3.874 2.401 445 HG2 MET 57 2HG MET 57 8.503 2.429 1.653 446 HG3 MET 57 1HG MET 57 9.921 2.101 0.658 447 HE1 MET 57 3HE MET 57 9.244 0.966 4.358 448 HE2 MET 57 1HE MET 57 8.541 -0.638 4.128 449 HE3 MET 57 2HE MET 57 7.650 0.797 3.624 450 H ASP 58 HN ASP 58 13.623 2.223 4.271 451 HA ASP 58 HA ASP 58 15.216 3.453 5.325 452 HB2 ASP 58 2HB ASP 58 15.594 4.530 3.098 453 HB3 ASP 58 1HB ASP 58 14.410 5.756 3.531 454 HA PRO 59 HA PRO 59 12.825 5.142 8.617 455 HB2 PRO 59 2HB PRO 59 14.835 6.549 9.887 456 HB3 PRO 59 1HB PRO 59 14.539 4.817 10.080 457 HG2 PRO 59 2HG PRO 59 16.522 6.220 8.333 458 HG3 PRO 59 1HG PRO 59 16.723 4.748 9.303 459 HD2 PRO 59 2HD PRO 59 16.357 4.629 6.656 460 HD3 PRO 59 1HD PRO 59 15.633 3.424 7.741 461 H ARG 60 HN ARG 60 14.978 7.336 6.822 462 HA ARG 60 HA ARG 60 13.692 9.697 7.843 463 HB2 ARG 60 2HB ARG 60 15.700 9.237 5.644 464 HB3 ARG 60 1HB ARG 60 15.047 10.827 6.004 465 HG2 ARG 60 2HG ARG 60 16.526 9.110 7.983 466 HG3 ARG 60 1HG ARG 60 17.263 10.389 7.018 467 HD2 ARG 60 2HD ARG 60 16.799 11.643 8.834 468 HD3 ARG 60 1HD ARG 60 15.205 11.746 8.092 469 HE ARG 60 HE ARG 60 15.456 9.486 9.832 470 HH11 ARG 60 1HH1 ARG 60 14.776 12.918 9.697 471 HH12 ARG 60 2HH1 ARG 60 14.010 12.953 11.259 472 HH21 ARG 60 1HH2 ARG 60 14.438 9.529 11.878 473 HH22 ARG 60 2HH2 ARG 60 13.814 11.032 12.500 474 H GLU 61 HN GLU 61 13.655 7.924 4.788 475 HA GLU 61 HA GLU 61 11.944 9.709 3.422 476 HB2 GLU 61 2HB GLU 61 12.357 6.751 2.944 477 HB3 GLU 61 1HB GLU 61 11.648 7.892 1.810 478 HG2 GLU 61 2HG GLU 61 14.468 8.059 2.844 479 HG3 GLU 61 1HG GLU 61 14.004 7.299 1.323 480 H GLN 62 HN GLN 62 11.370 6.840 5.398 481 HA GLN 62 HA GLN 62 8.573 6.695 4.954 482 HB2 GLN 62 2HB GLN 62 10.335 5.642 7.156 483 HB3 GLN 62 1HB GLN 62 8.596 5.386 7.143 484 HG2 GLN 62 2HG GLN 62 8.762 4.193 5.043 485 HG3 GLN 62 1HG GLN 62 10.497 4.500 4.987 486 HE21 GLN 62 1HE2 GLN 62 8.823 3.764 7.949 487 HE22 GLN 62 2HE2 GLN 62 9.505 2.190 8.183 488 H LEU 63 HN LEU 63 10.496 8.155 7.585 489 HA LEU 63 HA LEU 63 8.282 8.925 9.139 490 HB2 LEU 63 2HB LEU 63 10.600 8.811 9.990 491 HB3 LEU 63 1HB LEU 63 11.005 10.220 9.028 492 HG LEU 63 HG LEU 63 9.386 11.559 10.325 493 HD11 LEU 63 1HD1 LEU 63 8.479 10.618 12.414 494 HD12 LEU 63 2HD1 LEU 63 9.084 9.031 11.940 495 HD13 LEU 63 3HD1 LEU 63 7.837 9.822 10.977 496 HD21 LEU 63 3HD2 LEU 63 11.424 10.107 12.004 497 HD22 LEU 63 1HD2 LEU 63 10.687 11.662 12.383 498 HD23 LEU 63 2HD2 LEU 63 11.738 11.503 10.975 499 H THR 64 HN THR 64 10.148 10.687 6.694 500 HA THR 64 HA THR 64 8.753 13.118 6.937 501 HB THR 64 HB THR 64 10.099 12.035 4.455 502 HG1 THR 64 1HG THR 64 11.804 12.149 5.713 503 HG21 THR 64 3HG2 THR 64 9.530 14.859 5.366 504 HG22 THR 64 1HG2 THR 64 8.719 14.016 4.046 505 HG23 THR 64 2HG2 THR 64 10.435 14.407 3.921 506 H ALA 65 HN ALA 65 8.070 10.178 5.136 507 HA ALA 65 HA ALA 65 5.985 11.242 3.530 508 HB1 ALA 65 1HB ALA 65 7.112 9.129 2.991 509 HB2 ALA 65 2HB ALA 65 5.363 8.931 3.105 510 HB3 ALA 65 3HB ALA 65 6.398 8.390 4.426 511 H VAL 66 HN VAL 66 6.012 9.559 6.654 512 HA VAL 66 HA VAL 66 3.214 9.638 7.073 513 HB VAL 66 HB VAL 66 5.428 9.560 9.136 514 HG11 VAL 66 1HG1 VAL 66 2.518 8.797 9.381 515 HG12 VAL 66 2HG1 VAL 66 3.278 10.214 10.105 516 HG13 VAL 66 3HG1 VAL 66 3.749 8.596 10.627 517 HG21 VAL 66 3HG2 VAL 66 5.091 7.140 9.129 518 HG22 VAL 66 1HG2 VAL 66 5.579 7.718 7.535 519 HG23 VAL 66 2HG2 VAL 66 3.892 7.306 7.847 520 H LYS 67 HN LYS 67 5.846 11.805 7.979 521 HA LYS 67 HA LYS 67 4.408 13.725 9.410 522 HB2 LYS 67 2HB LYS 67 6.852 13.659 9.299 523 HB3 LYS 67 1HB LYS 67 6.801 14.061 7.593 524 HG2 LYS 67 2HG LYS 67 5.767 16.234 8.185 525 HG3 LYS 67 1HG LYS 67 5.984 15.825 9.888 526 HD2 LYS 67 2HD LYS 67 8.394 15.653 9.551 527 HD3 LYS 67 1HD LYS 67 8.190 16.030 7.840 528 HE2 LYS 67 2HE LYS 67 7.251 18.223 8.463 529 HE3 LYS 67 1HE LYS 67 7.530 17.838 10.163 530 HZ1 LYS 67 3HZ LYS 67 9.909 17.636 9.659 531 HZ2 LYS 67 1HZ LYS 67 9.320 19.191 9.318 532 HZ3 LYS 67 2HZ LYS 67 9.608 18.100 8.055 533 H ASP 68 HN ASP 68 5.114 13.491 5.950 534 HA ASP 68 HA ASP 68 3.827 15.891 5.186 535 HB2 ASP 68 2HB ASP 68 5.497 14.558 3.820 536 HB3 ASP 68 1HB ASP 68 4.190 13.439 3.457 537 H MET 69 HN MET 69 2.793 12.552 5.420 538 HA MET 69 HA MET 69 0.242 12.743 4.298 539 HB2 MET 69 2HB MET 69 1.610 10.697 5.210 540 HB3 MET 69 1HB MET 69 0.769 11.043 6.713 541 HG2 MET 69 2HG MET 69 -0.514 9.409 5.663 542 HG3 MET 69 1HG MET 69 -1.377 10.920 5.369 543 HE1 MET 69 3HE MET 69 1.017 8.212 3.876 544 HE2 MET 69 1HE MET 69 1.929 9.709 3.663 545 HE3 MET 69 2HE MET 69 1.309 8.843 2.256 546 H ARG 70 HN ARG 70 1.286 13.095 7.668 547 HA ARG 70 HA ARG 70 -1.246 13.687 8.762 548 HB2 ARG 70 2HB ARG 70 0.912 12.973 9.954 549 HB3 ARG 70 1HB ARG 70 1.408 14.650 9.837 550 HG2 ARG 70 2HG ARG 70 -1.157 13.844 11.165 551 HG3 ARG 70 1HG ARG 70 0.381 13.870 12.025 552 HD2 ARG 70 2HD ARG 70 0.620 16.270 11.342 553 HD3 ARG 70 1HD ARG 70 -1.024 16.192 10.712 554 HE ARG 70 HE ARG 70 -0.883 15.319 13.423 555 HH11 ARG 70 1HH1 ARG 70 -1.024 18.180 11.400 556 HH12 ARG 70 2HH1 ARG 70 -1.660 19.190 12.669 557 HH21 ARG 70 1HH2 ARG 70 -1.715 16.634 15.075 558 HH22 ARG 70 2HH2 ARG 70 -2.050 18.309 14.757 559 H LYS 71 HN LYS 71 1.394 15.705 7.579 560 HA LYS 71 HA LYS 71 0.350 18.237 8.130 561 HB2 LYS 71 2HB LYS 71 2.643 17.861 7.372 562 HB3 LYS 71 1HB LYS 71 2.057 17.307 5.815 563 HG2 LYS 71 2HG LYS 71 0.929 19.749 5.887 564 HG3 LYS 71 1HG LYS 71 2.380 20.045 6.849 565 HD2 LYS 71 2HD LYS 71 2.856 20.511 4.524 566 HD3 LYS 71 1HD LYS 71 3.742 19.068 5.023 567 HE2 LYS 71 2HE LYS 71 1.962 17.669 4.028 568 HE3 LYS 71 1HE LYS 71 1.153 19.134 3.473 569 HZ1 LYS 71 3HZ LYS 71 3.110 19.647 2.130 570 HZ2 LYS 71 1HZ LYS 71 2.452 18.142 1.711 571 HZ3 LYS 71 2HZ LYS 71 3.859 18.219 2.652 572 H ASN 72 HN ASN 72 -0.190 16.039 5.446 573 HA ASN 72 HA ASN 72 -1.599 18.013 3.886 574 HB2 ASN 72 2HB ASN 72 -0.104 16.062 3.050 575 HB3 ASN 72 1HB ASN 72 -1.546 15.075 3.258 576 HD21 ASN 72 1HD2 ASN 72 -1.384 14.734 0.971 577 HD22 ASN 72 2HD2 ASN 72 -2.013 15.911 -0.129 578 H GLY 73 HN GLY 73 -2.446 15.597 6.204 579 HA2 GLY 73 2HA GLY 73 -4.612 16.200 7.282 580 HA3 GLY 73 1HA GLY 73 -5.286 16.222 5.660 581 H TRP 74 HN TRP 74 -3.315 13.767 5.331 582 HA TRP 74 HA TRP 74 -5.419 11.852 6.032 583 HB2 TRP 74 2HB TRP 74 -3.184 11.795 4.017 584 HB3 TRP 74 1HB TRP 74 -4.080 10.341 4.454 585 HD1 TRP 74 1HD TRP 74 -6.947 10.910 4.310 586 HE1 TRP 74 1HE TRP 74 -8.167 11.858 2.240 587 HE3 TRP 74 3HE TRP 74 -2.954 13.079 1.983 588 HZ2 TRP 74 2HZ TRP 74 -7.492 13.349 -0.063 589 HZ3 TRP 74 3HZ TRP 74 -3.325 14.249 -0.150 590 HH2 TRP 74 2HH TRP 74 -5.545 14.381 -1.148 591 H VAL 75 HN VAL 75 -4.331 9.521 6.287 592 HA VAL 75 HA VAL 75 -2.026 9.708 8.108 593 HB VAL 75 HB VAL 75 -3.026 7.955 9.554 594 HG11 VAL 75 1HG1 VAL 75 -4.628 10.496 9.337 595 HG12 VAL 75 2HG1 VAL 75 -3.146 10.258 10.267 596 HG13 VAL 75 3HG1 VAL 75 -4.622 9.410 10.726 597 HG21 VAL 75 3HG2 VAL 75 -5.447 7.538 9.443 598 HG22 VAL 75 1HG2 VAL 75 -4.600 6.971 8.004 599 HG23 VAL 75 2HG2 VAL 75 -5.525 8.472 7.949 600 H MET 76 HN MET 76 -0.971 7.541 8.422 601 HA MET 76 HA MET 76 -0.681 6.240 5.888 602 HB2 MET 76 2HB MET 76 1.269 6.638 7.274 603 HB3 MET 76 1HB MET 76 0.556 5.722 8.595 604 HG2 MET 76 2HG MET 76 0.651 3.694 7.237 605 HG3 MET 76 1HG MET 76 1.378 4.619 5.922 606 HE1 MET 76 3HE MET 76 4.271 2.373 7.294 607 HE2 MET 76 1HE MET 76 3.304 2.806 5.884 608 HE3 MET 76 2HE MET 76 2.552 1.977 7.247 609 H LEU 77 HN LEU 77 -1.869 4.602 5.204 610 HA LEU 77 HA LEU 77 -3.497 3.117 7.118 611 HB2 LEU 77 2HB LEU 77 -3.420 2.940 4.107 612 HB3 LEU 77 1HB LEU 77 -4.597 2.178 5.159 613 HG LEU 77 HG LEU 77 -4.256 5.137 4.690 614 HD11 LEU 77 1HD1 LEU 77 -6.489 4.980 3.734 615 HD12 LEU 77 2HD1 LEU 77 -6.503 3.243 4.032 616 HD13 LEU 77 3HD1 LEU 77 -5.360 3.929 2.879 617 HD21 LEU 77 3HD2 LEU 77 -6.208 5.401 6.147 618 HD22 LEU 77 1HD2 LEU 77 -4.829 4.723 7.014 619 HD23 LEU 77 2HD2 LEU 77 -6.158 3.678 6.513 620 H GLY 78 HN GLY 78 -0.707 2.752 5.117 621 HA2 GLY 78 2HA GLY 78 0.488 0.673 6.338 622 HA3 GLY 78 1HA GLY 78 -0.658 -0.128 5.268 623 H ASN 79 HN ASN 79 0.785 -1.031 3.888 624 HA ASN 79 HA ASN 79 2.075 0.774 2.026 625 HB2 ASN 79 2HB ASN 79 4.275 -0.332 2.211 626 HB3 ASN 79 1HB ASN 79 3.833 0.506 3.690 627 HD21 ASN 79 1HD2 ASN 79 4.479 -2.531 2.210 628 HD22 ASN 79 2HD2 ASN 79 4.434 -3.484 3.650 629 H PHE 80 HN PHE 80 3.205 -0.579 0.283 630 HA PHE 80 HA PHE 80 1.775 -3.100 -0.134 631 HB2 PHE 80 2HB PHE 80 1.234 -2.513 -2.439 632 HB3 PHE 80 1HB PHE 80 0.502 -1.367 -1.327 633 HD1 PHE 80 1HD PHE 80 1.321 0.932 -1.204 634 HD2 PHE 80 2HD PHE 80 2.938 -1.846 -3.991 635 HE1 PHE 80 1HE PHE 80 2.319 2.788 -2.472 636 HE2 PHE 80 2HE PHE 80 3.936 0.005 -5.265 637 HZ PHE 80 HZ PHE 80 3.628 2.327 -4.507 638 H HIS 81 HN HIS 81 2.747 -4.525 -1.643 639 HA HIS 81 HA HIS 81 5.235 -3.796 -2.893 640 HB2 HIS 81 2HB HIS 81 6.594 -5.578 -1.891 641 HB3 HIS 81 1HB HIS 81 6.074 -4.421 -0.679 642 HD1 HIS 81 1HD HIS 81 5.592 -7.967 -1.768 643 HD2 HIS 81 2HD HIS 81 4.472 -5.470 1.351 644 HE1 HIS 81 1HE HIS 81 4.665 -9.483 0.007 645 HE2 HIS 81 2HE HIS 81 4.294 -7.977 1.988 646 H SER 82 HN SER 82 5.777 -5.170 -4.602 647 HA SER 82 HA SER 82 3.572 -6.985 -5.320 648 HB2 SER 82 2HB SER 82 4.200 -6.421 -7.693 649 HB3 SER 82 1HB SER 82 3.591 -5.056 -6.758 650 HG SER 82 HG SER 82 5.878 -5.224 -8.040 651 H HIS 83 HN HIS 83 4.054 -8.836 -6.596 652 HA HIS 83 HA HIS 83 6.831 -9.801 -6.324 653 HB2 HIS 83 2HB HIS 83 4.201 -11.263 -6.560 654 HB3 HIS 83 1HB HIS 83 5.742 -12.067 -6.825 655 HD1 HIS 83 1HD HIS 83 3.475 -12.371 -4.450 656 HD2 HIS 83 2HD HIS 83 7.341 -10.840 -4.210 657 HE1 HIS 83 1HE HIS 83 4.166 -12.643 -2.045 658 HE2 HIS 83 2HE HIS 83 6.582 -11.928 -1.987 659 HA PRO 84 HA PRO 84 6.944 -9.645 -10.773 660 HB2 PRO 84 2HB PRO 84 9.381 -10.686 -11.157 661 HB3 PRO 84 1HB PRO 84 9.153 -9.102 -10.409 662 HG2 PRO 84 2HG PRO 84 9.836 -11.712 -9.153 663 HG3 PRO 84 1HG PRO 84 10.360 -10.079 -8.710 664 HD2 PRO 84 2HD PRO 84 8.317 -11.553 -7.479 665 HD3 PRO 84 1HD PRO 84 8.610 -9.815 -7.292 666 H ALA 85 HN ALA 85 7.569 -12.701 -9.105 667 HA ALA 85 HA ALA 85 6.484 -14.132 -11.426 668 HB1 ALA 85 1HB ALA 85 8.986 -14.953 -9.953 669 HB2 ALA 85 2HB ALA 85 8.933 -14.232 -11.562 670 HB3 ALA 85 3HB ALA 85 8.221 -15.822 -11.283 671 H THR 86 HN THR 86 5.322 -13.409 -8.869 672 HA THR 86 HA THR 86 4.521 -16.059 -8.002 673 HB THR 86 HB THR 86 4.771 -14.906 -5.539 674 HG1 THR 86 1HG THR 86 7.344 -14.457 -6.307 675 HG21 THR 86 3HG2 THR 86 5.361 -17.204 -6.114 676 HG22 THR 86 1HG2 THR 86 6.651 -16.439 -5.187 677 HG23 THR 86 2HG2 THR 86 6.817 -16.636 -6.932 678 HA PRO 87 HA PRO 87 0.618 -14.054 -7.631 679 HB2 PRO 87 2HB PRO 87 -0.175 -15.892 -5.500 680 HB3 PRO 87 1HB PRO 87 -0.745 -15.807 -7.169 681 HG2 PRO 87 2HG PRO 87 0.782 -17.846 -6.272 682 HG3 PRO 87 1HG PRO 87 0.882 -17.245 -7.938 683 HD2 PRO 87 2HD PRO 87 2.682 -16.667 -5.606 684 HD3 PRO 87 1HD PRO 87 3.108 -17.045 -7.290 685 H ALA 88 HN ALA 88 -1.093 -13.594 -5.728 686 HA ALA 88 HA ALA 88 0.323 -11.743 -3.986 687 HB1 ALA 88 1HB ALA 88 -1.524 -10.889 -5.363 688 HB2 ALA 88 2HB ALA 88 -1.835 -10.684 -3.639 689 HB3 ALA 88 3HB ALA 88 -2.633 -11.978 -4.532 690 H ARG 89 HN ARG 89 1.115 -13.127 -2.429 691 HA ARG 89 HA ARG 89 -0.712 -13.478 -0.263 692 HB2 ARG 89 2HB ARG 89 -0.123 -15.867 0.153 693 HB3 ARG 89 1HB ARG 89 -1.100 -15.618 -1.282 694 HG2 ARG 89 2HG ARG 89 0.430 -17.158 -2.014 695 HG3 ARG 89 1HG ARG 89 1.180 -15.646 -2.526 696 HD2 ARG 89 2HD ARG 89 2.619 -15.679 -0.567 697 HD3 ARG 89 1HD ARG 89 1.840 -17.155 0.001 698 HE ARG 89 HE ARG 89 2.688 -18.094 -2.241 699 HH11 ARG 89 1HH1 ARG 89 4.359 -15.741 -0.255 700 HH12 ARG 89 2HH1 ARG 89 5.939 -16.199 -0.818 701 HH21 ARG 89 1HH2 ARG 89 4.772 -18.697 -2.989 702 HH22 ARG 89 2HH2 ARG 89 6.172 -17.867 -2.368 703 HA PRO 90 HA PRO 90 2.876 -12.169 1.871 704 HB2 PRO 90 2HB PRO 90 2.380 -13.164 4.364 705 HB3 PRO 90 1HB PRO 90 1.565 -11.745 3.699 706 HG2 PRO 90 2HG PRO 90 0.615 -14.579 3.845 707 HG3 PRO 90 1HG PRO 90 -0.276 -13.081 4.183 708 HD2 PRO 90 2HD PRO 90 -0.548 -14.415 1.855 709 HD3 PRO 90 1HD PRO 90 -0.628 -12.641 1.935 710 H SER 91 HN SER 91 4.858 -12.860 2.629 711 HA SER 91 HA SER 91 5.374 -15.744 2.420 712 HB2 SER 91 2HB SER 91 7.316 -13.412 2.325 713 HB3 SER 91 1HB SER 91 7.731 -15.111 2.093 714 HG SER 91 HG SER 91 7.389 -14.610 0.065 715 H ALA 92 HN ALA 92 7.163 -16.515 3.967 716 HA ALA 92 HA ALA 92 6.350 -16.078 6.635 717 HB1 ALA 92 1HB ALA 92 8.297 -17.419 7.258 718 HB2 ALA 92 2HB ALA 92 8.937 -17.261 5.622 719 HB3 ALA 92 3HB ALA 92 7.437 -18.147 5.902 720 H GLU 93 HN GLU 93 9.019 -14.850 4.714 721 HA GLU 93 HA GLU 93 10.284 -13.352 6.754 722 HB2 GLU 93 2HB GLU 93 10.336 -12.918 3.756 723 HB3 GLU 93 1HB GLU 93 11.473 -12.244 4.911 724 HG2 GLU 93 2HG GLU 93 12.538 -14.071 3.841 725 HG3 GLU 93 1HG GLU 93 12.161 -14.575 5.486 726 H ASP 94 HN ASP 94 7.700 -12.700 4.512 727 HA ASP 94 HA ASP 94 7.590 -9.877 4.862 728 HB2 ASP 94 2HB ASP 94 6.644 -11.275 2.935 729 HB3 ASP 94 1HB ASP 94 5.313 -11.673 4.011 730 H LYS 95 HN LYS 95 5.950 -12.640 6.327 731 HA LYS 95 HA LYS 95 4.275 -11.163 8.079 732 HB2 LYS 95 2HB LYS 95 4.004 -13.579 7.414 733 HB3 LYS 95 1HB LYS 95 5.355 -13.966 8.463 734 HG2 LYS 95 2HG LYS 95 2.949 -12.565 9.562 735 HG3 LYS 95 1HG LYS 95 2.929 -14.307 9.304 736 HD2 LYS 95 2HD LYS 95 5.011 -14.442 10.699 737 HD3 LYS 95 1HD LYS 95 4.790 -12.734 11.081 738 HE2 LYS 95 2HE LYS 95 2.820 -14.946 11.666 739 HE3 LYS 95 1HE LYS 95 3.894 -14.191 12.841 740 HZ1 LYS 95 3HZ LYS 95 2.763 -12.062 12.356 741 HZ2 LYS 95 1HZ LYS 95 1.732 -13.223 13.027 742 HZ3 LYS 95 2HZ LYS 95 1.668 -12.891 11.372 743 H ARG 96 HN ARG 96 7.589 -12.219 8.202 744 HA ARG 96 HA ARG 96 8.078 -11.904 10.962 745 HB2 ARG 96 2HB ARG 96 9.823 -11.921 8.522 746 HB3 ARG 96 1HB ARG 96 10.503 -11.554 10.100 747 HG2 ARG 96 2HG ARG 96 8.939 -14.059 9.550 748 HG3 ARG 96 1HG ARG 96 10.686 -13.950 9.333 749 HD2 ARG 96 2HD ARG 96 9.169 -13.459 11.893 750 HD3 ARG 96 1HD ARG 96 10.154 -14.876 11.519 751 HE ARG 96 HE ARG 96 11.930 -12.900 11.207 752 HH11 ARG 96 1HH1 ARG 96 9.660 -13.584 13.783 753 HH12 ARG 96 2HH1 ARG 96 10.610 -12.787 15.004 754 HH21 ARG 96 1HH2 ARG 96 13.186 -11.887 12.788 755 HH22 ARG 96 2HH2 ARG 96 12.637 -11.828 14.439 756 H LEU 97 HN LEU 97 7.852 -9.599 8.364 757 HA LEU 97 HA LEU 97 9.156 -7.542 9.966 758 HB2 LEU 97 2HB LEU 97 8.184 -7.541 7.115 759 HB3 LEU 97 1HB LEU 97 8.940 -6.176 7.904 760 HG LEU 97 HG LEU 97 10.238 -8.846 7.361 761 HD11 LEU 97 1HD1 LEU 97 11.662 -7.567 5.840 762 HD12 LEU 97 2HD1 LEU 97 10.711 -6.118 6.173 763 HD13 LEU 97 3HD1 LEU 97 9.966 -7.496 5.362 764 HD21 LEU 97 3HD2 LEU 97 12.284 -7.801 8.198 765 HD22 LEU 97 1HD2 LEU 97 11.045 -7.884 9.450 766 HD23 LEU 97 2HD2 LEU 97 11.371 -6.355 8.633 767 H ALA 98 HN ALA 98 6.176 -8.766 9.873 768 HA ALA 98 HA ALA 98 4.668 -6.302 9.802 769 HB1 ALA 98 1HB ALA 98 3.807 -9.092 10.551 770 HB2 ALA 98 2HB ALA 98 3.639 -8.337 8.967 771 HB3 ALA 98 3HB ALA 98 2.738 -7.704 10.343 772 H PHE 99 HN PHE 99 5.432 -5.037 11.428 773 HA PHE 99 HA PHE 99 5.479 -6.143 14.140 774 HB2 PHE 99 2HB PHE 99 6.525 -3.498 13.111 775 HB3 PHE 99 1HB PHE 99 6.733 -4.120 14.744 776 HD1 PHE 99 2HD PHE 99 7.754 -6.626 14.746 777 HD2 PHE 99 1HD PHE 99 8.319 -3.695 11.713 778 HE1 PHE 99 2HE PHE 99 9.823 -7.758 14.042 779 HE2 PHE 99 1HE PHE 99 10.388 -4.822 11.003 780 HZ PHE 99 HZ PHE 99 11.144 -6.854 12.171 781 H ASP 100 HN ASP 100 3.289 -4.614 12.216 782 HA ASP 100 HA ASP 100 1.828 -3.640 14.527 783 HB2 ASP 100 2HB ASP 100 3.262 -1.751 13.355 784 HB3 ASP 100 1HB ASP 100 1.916 -1.753 12.218 785 HA PRO 101 HA PRO 101 -0.790 -6.167 11.739 786 HB2 PRO 101 2HB PRO 101 -2.406 -6.198 14.225 787 HB3 PRO 101 1HB PRO 101 -1.878 -7.540 13.203 788 HG2 PRO 101 2HG PRO 101 -0.735 -7.108 15.562 789 HG3 PRO 101 1HG PRO 101 0.232 -7.615 14.163 790 HD2 PRO 101 2HD PRO 101 -0.066 -4.892 15.375 791 HD3 PRO 101 1HD PRO 101 1.391 -5.695 14.754 792 H SER 102 HN SER 102 -1.274 -3.122 13.086 793 HA SER 102 HA SER 102 -4.068 -2.898 12.318 794 HB2 SER 102 2HB SER 102 -2.176 -0.767 13.341 795 HB3 SER 102 1HB SER 102 -3.928 -0.627 13.199 796 HG SER 102 HG SER 102 -2.394 -1.907 15.114 797 H LEU 103 HN LEU 103 -1.102 -2.727 10.825 798 HA LEU 103 HA LEU 103 -1.852 -0.673 8.897 799 HB2 LEU 103 2HB LEU 103 0.647 -2.317 9.254 800 HB3 LEU 103 1HB LEU 103 0.419 -1.183 7.935 801 HG LEU 103 HG LEU 103 0.475 -0.488 10.873 802 HD11 LEU 103 1HD1 LEU 103 2.587 0.617 10.334 803 HD12 LEU 103 2HD1 LEU 103 2.481 0.014 8.680 804 HD13 LEU 103 3HD1 LEU 103 2.663 -1.115 10.024 805 HD21 LEU 103 3HD2 LEU 103 -1.005 0.992 9.656 806 HD22 LEU 103 1HD2 LEU 103 0.241 1.273 8.438 807 HD23 LEU 103 2HD2 LEU 103 0.479 1.838 10.090 808 H SER 104 HN SER 104 -2.199 -1.061 6.731 809 HA SER 104 HA SER 104 -3.027 -3.780 6.088 810 HB2 SER 104 2HB SER 104 -3.353 -1.252 4.454 811 HB3 SER 104 1HB SER 104 -4.190 -2.788 4.213 812 HG SER 104 HG SER 104 -4.442 -1.758 6.745 813 H TYR 105 HN TYR 105 -1.850 -5.107 4.871 814 HA TYR 105 HA TYR 105 0.433 -3.986 3.394 815 HB2 TYR 105 2HB TYR 105 -0.023 -6.798 4.427 816 HB3 TYR 105 1HB TYR 105 1.376 -6.284 3.490 817 HD1 TYR 105 2HD TYR 105 -0.280 -6.119 6.763 818 HD2 TYR 105 1HD TYR 105 3.113 -4.915 4.490 819 HE1 TYR 105 2HE TYR 105 0.873 -5.466 8.838 820 HE2 TYR 105 1HE TYR 105 4.272 -4.259 6.555 821 HH TYR 105 HH TYR 105 3.723 -3.603 8.846 822 H LEU 106 HN LEU 106 -0.255 -3.579 1.375 823 HA LEU 106 HA LEU 106 -2.057 -5.445 0.057 824 HB2 LEU 106 2HB LEU 106 -1.020 -2.717 -0.625 825 HB3 LEU 106 1HB LEU 106 -1.716 -3.727 -1.878 826 HG LEU 106 HG LEU 106 -3.827 -3.842 -0.573 827 HD11 LEU 106 1HD1 LEU 106 -2.905 -3.461 1.655 828 HD12 LEU 106 2HD1 LEU 106 -4.182 -2.303 1.281 829 HD13 LEU 106 3HD1 LEU 106 -2.491 -1.808 1.206 830 HD21 LEU 106 3HD2 LEU 106 -3.591 -2.205 -2.346 831 HD22 LEU 106 1HD2 LEU 106 -2.840 -1.068 -1.226 832 HD23 LEU 106 2HD2 LEU 106 -4.530 -1.527 -1.013 833 H ILE 107 HN ILE 107 -1.511 -6.828 -1.521 834 HA ILE 107 HA ILE 107 1.316 -6.853 -2.353 835 HB ILE 107 HB ILE 107 -0.418 -9.274 -1.809 836 HG12 ILE 107 2HG1 ILE 107 1.992 -8.208 -0.314 837 HG13 ILE 107 1HG1 ILE 107 0.326 -8.093 0.237 838 HG21 ILE 107 1HG2 ILE 107 1.142 -9.659 -3.634 839 HG22 ILE 107 2HG2 ILE 107 1.640 -10.558 -2.202 840 HG23 ILE 107 3HG2 ILE 107 2.478 -9.070 -2.646 841 HD11 ILE 107 3HD1 ILE 107 1.894 -10.628 -0.174 842 HD12 ILE 107 1HD1 ILE 107 0.208 -10.538 0.334 843 HD13 ILE 107 2HD1 ILE 107 1.474 -9.882 1.369 844 H ILE 108 HN ILE 108 1.595 -6.684 -4.452 845 HA ILE 108 HA ILE 108 -0.689 -7.192 -6.234 846 HB ILE 108 HB ILE 108 1.756 -5.484 -6.738 847 HG12 ILE 108 2HG1 ILE 108 -1.087 -4.642 -6.127 848 HG13 ILE 108 1HG1 ILE 108 0.248 -4.570 -4.984 849 HG21 ILE 108 1HG2 ILE 108 0.839 -6.388 -8.794 850 HG22 ILE 108 2HG2 ILE 108 0.493 -4.662 -8.687 851 HG23 ILE 108 3HG2 ILE 108 -0.775 -5.838 -8.340 852 HD11 ILE 108 3HD1 ILE 108 1.396 -2.976 -6.449 853 HD12 ILE 108 1HD1 ILE 108 -0.182 -2.391 -5.922 854 HD13 ILE 108 2HD1 ILE 108 0.022 -3.027 -7.554 855 H SER 109 HN SER 109 -0.551 -8.735 -7.749 856 HA SER 109 HA SER 109 1.987 -10.152 -8.089 857 HB2 SER 109 2HB SER 109 -0.671 -10.867 -9.331 858 HB3 SER 109 1HB SER 109 0.713 -11.922 -9.039 859 HG SER 109 HG SER 109 -0.420 -10.652 -6.835 860 H LEU 110 HN LEU 110 3.268 -9.140 -9.530 861 HA LEU 110 HA LEU 110 2.028 -8.061 -11.962 862 HB2 LEU 110 2HB LEU 110 3.449 -6.569 -10.502 863 HB3 LEU 110 1HB LEU 110 4.823 -7.567 -10.936 864 HG LEU 110 HG LEU 110 4.514 -6.954 -13.304 865 HD11 LEU 110 1HD1 LEU 110 2.344 -5.149 -12.243 866 HD12 LEU 110 2HD1 LEU 110 2.123 -6.542 -13.303 867 HD13 LEU 110 3HD1 LEU 110 2.991 -5.118 -13.882 868 HD21 LEU 110 3HD2 LEU 110 5.223 -4.603 -13.087 869 HD22 LEU 110 1HD2 LEU 110 6.059 -5.675 -11.962 870 HD23 LEU 110 2HD2 LEU 110 4.751 -4.641 -11.387 871 H ALA 111 HN ALA 111 2.202 -10.778 -11.782 872 HA ALA 111 HA ALA 111 4.493 -11.972 -12.854 873 HB1 ALA 111 1HB ALA 111 3.011 -13.809 -13.502 874 HB2 ALA 111 2HB ALA 111 1.606 -12.788 -13.200 875 HB3 ALA 111 3HB ALA 111 2.661 -13.255 -11.866 876 H GLU 112 HN GLU 112 1.655 -10.537 -14.405 877 HA GLU 112 HA GLU 112 3.246 -10.157 -16.830 878 HB2 GLU 112 2HB GLU 112 0.356 -11.000 -16.588 879 HB3 GLU 112 1HB GLU 112 1.038 -10.339 -18.056 880 HG2 GLU 112 2HG GLU 112 2.656 -12.198 -18.109 881 HG3 GLU 112 1HG GLU 112 1.868 -12.875 -16.685 882 HA PRO 113 HA PRO 113 1.978 -5.907 -16.206 883 HB2 PRO 113 2HB PRO 113 2.294 -4.984 -18.752 884 HB3 PRO 113 1HB PRO 113 3.646 -5.249 -17.646 885 HG2 PRO 113 2HG PRO 113 2.630 -6.996 -19.851 886 HG3 PRO 113 1HG PRO 113 4.304 -6.618 -19.402 887 HD2 PRO 113 2HD PRO 113 3.103 -8.944 -18.713 888 HD3 PRO 113 1HD PRO 113 4.326 -8.163 -17.690 889 H GLN 114 HN GLN 114 0.576 -8.100 -18.389 890 HA GLN 114 HA GLN 114 -1.831 -6.454 -18.719 891 HB2 GLN 114 2HB GLN 114 -0.746 -8.813 -20.251 892 HB3 GLN 114 1HB GLN 114 -2.390 -8.232 -20.462 893 HG2 GLN 114 2HG GLN 114 0.070 -6.550 -20.873 894 HG3 GLN 114 1HG GLN 114 -0.796 -7.393 -22.159 895 HE21 GLN 114 1HE2 GLN 114 -2.838 -6.685 -22.765 896 HE22 GLN 114 2HE2 GLN 114 -3.444 -5.120 -22.327 897 H LYS 115 HN LYS 115 -0.851 -8.214 -16.405 898 HA LYS 115 HA LYS 115 -3.406 -9.384 -15.793 899 HB2 LYS 115 2HB LYS 115 -2.351 -11.142 -17.177 900 HB3 LYS 115 1HB LYS 115 -0.986 -11.176 -16.074 901 HG2 LYS 115 2HG LYS 115 -2.580 -11.859 -14.267 902 HG3 LYS 115 1HG LYS 115 -3.816 -12.021 -15.519 903 HD2 LYS 115 2HD LYS 115 -2.361 -13.612 -16.712 904 HD3 LYS 115 1HD LYS 115 -1.182 -13.484 -15.407 905 HE2 LYS 115 2HE LYS 115 -2.839 -14.361 -13.836 906 HE3 LYS 115 1HE LYS 115 -4.007 -14.500 -15.152 907 HZ1 LYS 115 3HZ LYS 115 -2.321 -15.975 -16.269 908 HZ2 LYS 115 1HZ LYS 115 -3.049 -16.626 -14.883 909 HZ3 LYS 115 2HZ LYS 115 -1.474 -16.004 -14.800 910 HA PRO 116 HA PRO 116 -0.992 -8.247 -12.057 911 HB2 PRO 116 2HB PRO 116 -2.262 -5.873 -11.520 912 HB3 PRO 116 1HB PRO 116 -0.796 -6.018 -12.491 913 HG2 PRO 116 2HG PRO 116 -3.442 -5.260 -13.347 914 HG3 PRO 116 1HG PRO 116 -1.953 -5.324 -14.302 915 HD2 PRO 116 2HD PRO 116 -4.148 -7.284 -14.115 916 HD3 PRO 116 1HD PRO 116 -2.929 -7.071 -15.389 917 H VAL 117 HN VAL 117 -1.712 -9.351 -10.323 918 HA VAL 117 HA VAL 117 -4.577 -9.174 -9.658 919 HB VAL 117 HB VAL 117 -2.533 -11.133 -8.587 920 HG11 VAL 117 1HG1 VAL 117 -5.539 -11.071 -8.336 921 HG12 VAL 117 2HG1 VAL 117 -4.375 -10.760 -7.049 922 HG13 VAL 117 3HG1 VAL 117 -4.489 -12.366 -7.764 923 HG21 VAL 117 3HG2 VAL 117 -3.619 -12.795 -10.027 924 HG22 VAL 117 1HG2 VAL 117 -2.892 -11.490 -10.967 925 HG23 VAL 117 2HG2 VAL 117 -4.637 -11.529 -10.714 926 H CYS 118 HN CYS 118 -5.132 -7.869 -8.038 927 HA CYS 118 HA CYS 118 -3.051 -7.138 -6.085 928 HB2 CYS 118 2HB CYS 118 -4.387 -5.009 -5.815 929 HB3 CYS 118 1HB CYS 118 -3.571 -5.205 -7.361 930 HG CYS 118 HG CYS 118 -6.037 -6.207 -8.557 931 H LYS 119 HN LYS 119 -3.393 -7.746 -4.046 932 HA LYS 119 HA LYS 119 -6.147 -7.752 -3.056 933 HB2 LYS 119 2HB LYS 119 -4.162 -9.954 -2.466 934 HB3 LYS 119 1HB LYS 119 -5.748 -9.786 -1.736 935 HG2 LYS 119 2HG LYS 119 -6.648 -9.923 -4.130 936 HG3 LYS 119 1HG LYS 119 -5.049 -10.538 -4.545 937 HD2 LYS 119 2HD LYS 119 -6.542 -12.390 -4.115 938 HD3 LYS 119 1HD LYS 119 -5.324 -12.307 -2.839 939 HE2 LYS 119 2HE LYS 119 -6.885 -11.276 -1.335 940 HE3 LYS 119 1HE LYS 119 -8.084 -11.116 -2.615 941 HZ1 LYS 119 3HZ LYS 119 -8.164 -13.557 -2.739 942 HZ2 LYS 119 1HZ LYS 119 -8.640 -12.965 -1.225 943 HZ3 LYS 119 2HZ LYS 119 -7.107 -13.651 -1.417 944 H SER 120 HN SER 120 -6.215 -7.716 -0.673 945 HA SER 120 HA SER 120 -3.872 -6.339 0.449 946 HB2 SER 120 2HB SER 120 -5.807 -4.826 0.168 947 HB3 SER 120 1HB SER 120 -6.797 -5.921 1.129 948 HG SER 120 HG SER 120 -6.040 -4.978 2.835 949 H PHE 121 HN PHE 121 -3.072 -7.122 2.329 950 HA PHE 121 HA PHE 121 -4.643 -9.197 3.697 951 HB2 PHE 121 2HB PHE 121 -1.699 -9.286 3.022 952 HB3 PHE 121 1HB PHE 121 -2.497 -10.410 4.115 953 HD1 PHE 121 1HD PHE 121 -4.266 -11.926 3.228 954 HD2 PHE 121 2HD PHE 121 -1.808 -9.569 0.677 955 HE1 PHE 121 1HE PHE 121 -4.867 -13.365 1.328 956 HE2 PHE 121 2HE PHE 121 -2.411 -11.004 -1.230 957 HZ PHE 121 HZ PHE 121 -3.942 -12.905 -0.903 958 H LEU 122 HN LEU 122 -4.821 -8.942 5.796 959 HA LEU 122 HA LEU 122 -3.192 -6.884 7.104 960 HB2 LEU 122 2HB LEU 122 -5.636 -8.358 8.112 961 HB3 LEU 122 1HB LEU 122 -4.829 -7.032 8.926 962 HG LEU 122 HG LEU 122 -6.239 -6.823 6.264 963 HD11 LEU 122 1HD1 LEU 122 -7.930 -5.557 7.509 964 HD12 LEU 122 2HD1 LEU 122 -7.091 -5.933 9.013 965 HD13 LEU 122 3HD1 LEU 122 -7.815 -7.228 8.060 966 HD21 LEU 122 3HD2 LEU 122 -4.410 -5.223 6.484 967 HD22 LEU 122 1HD2 LEU 122 -5.042 -4.700 8.046 968 HD23 LEU 122 2HD2 LEU 122 -5.971 -4.408 6.577 969 H ILE 123 HN ILE 123 -1.322 -7.711 7.856 970 HA ILE 123 HA ILE 123 -1.247 -10.477 8.730 971 HB ILE 123 HB ILE 123 1.030 -8.488 8.771 972 HG12 ILE 123 2HG1 ILE 123 0.279 -10.482 6.614 973 HG13 ILE 123 1HG1 ILE 123 0.093 -8.736 6.492 974 HG21 ILE 123 1HG2 ILE 123 0.955 -11.505 8.830 975 HG22 ILE 123 2HG2 ILE 123 1.381 -10.445 10.174 976 HG23 ILE 123 3HG2 ILE 123 2.418 -10.528 8.750 977 HD11 ILE 123 3HD1 ILE 123 2.065 -9.513 5.298 978 HD12 ILE 123 1HD1 ILE 123 2.699 -10.211 6.788 979 HD13 ILE 123 2HD1 ILE 123 2.510 -8.463 6.643 980 H LYS 124 HN LYS 124 -1.942 -10.910 10.670 981 HA LYS 124 HA LYS 124 -1.872 -8.851 12.730 982 HB2 LYS 124 2HB LYS 124 -3.315 -11.500 12.568 983 HB3 LYS 124 1HB LYS 124 -3.413 -10.408 13.940 984 HG2 LYS 124 2HG LYS 124 -4.407 -8.696 12.534 985 HG3 LYS 124 1HG LYS 124 -4.252 -9.748 11.125 986 HD2 LYS 124 2HD LYS 124 -5.749 -11.373 12.181 987 HD3 LYS 124 1HD LYS 124 -5.909 -10.311 13.583 988 HE2 LYS 124 2HE LYS 124 -6.912 -8.593 12.196 989 HE3 LYS 124 1HE LYS 124 -6.686 -9.590 10.760 990 HZ1 LYS 124 3HZ LYS 124 -8.424 -10.248 13.079 991 HZ2 LYS 124 1HZ LYS 124 -8.191 -11.235 11.720 992 HZ3 LYS 124 2HZ LYS 124 -8.950 -9.724 11.559 993 H LYS 125 HN LYS 125 -1.926 -10.290 15.001 994 HA LYS 125 HA LYS 125 0.734 -10.731 15.634 995 HB2 LYS 125 2HB LYS 125 -1.207 -10.331 17.205 996 HB3 LYS 125 1HB LYS 125 -1.629 -12.020 17.000 997 HG2 LYS 125 2HG LYS 125 0.562 -12.663 17.911 998 HG3 LYS 125 1HG LYS 125 0.934 -10.956 18.167 999 HD2 LYS 125 2HD LYS 125 -1.080 -10.793 19.616 1000 HD3 LYS 125 1HD LYS 125 -1.300 -12.535 19.442 1001 HE2 LYS 125 2HE LYS 125 -0.171 -12.028 21.529 1002 HE3 LYS 125 1HE LYS 125 0.906 -12.907 20.444 1003 HZ1 LYS 125 3HZ LYS 125 1.912 -10.965 21.633 1004 HZ2 LYS 125 1HZ LYS 125 0.930 -9.949 20.695 1005 HZ3 LYS 125 2HZ LYS 125 2.088 -10.936 19.946 1006 H ASP 126 HN ASP 126 -1.813 -13.160 15.237 1007 HA ASP 126 HA ASP 126 0.129 -15.297 15.209 1008 HB2 ASP 126 2HB ASP 126 -2.027 -15.638 16.321 1009 HB3 ASP 126 1HB ASP 126 -2.869 -15.376 14.795 1010 H GLY 127 HN GLY 127 -2.467 -14.390 12.899 1011 HA2 GLY 127 2HA GLY 127 -0.703 -15.450 10.781 1012 HA3 GLY 127 1HA GLY 127 -2.401 -15.884 10.863 1013 H VAL 128 HN VAL 128 -2.826 -15.089 8.819 1014 HA VAL 128 HA VAL 128 -2.701 -12.152 8.588 1015 HB VAL 128 HB VAL 128 -1.098 -13.254 7.074 1016 HG11 VAL 128 1HG1 VAL 128 -1.891 -14.595 5.188 1017 HG12 VAL 128 2HG1 VAL 128 -3.526 -14.545 5.848 1018 HG13 VAL 128 3HG1 VAL 128 -2.242 -15.364 6.735 1019 HG21 VAL 128 3HG2 VAL 128 -2.085 -11.129 6.416 1020 HG22 VAL 128 1HG2 VAL 128 -3.424 -11.975 5.644 1021 HG23 VAL 128 2HG2 VAL 128 -1.790 -12.144 5.006 1022 H ASP 129 HN ASP 129 -4.500 -11.108 7.832 1023 HA ASP 129 HA ASP 129 -6.903 -12.781 7.457 1024 HB2 ASP 129 2HB ASP 129 -6.878 -11.257 9.456 1025 HB3 ASP 129 1HB ASP 129 -6.787 -9.891 8.348 1026 H GLU 130 HN GLU 130 -8.294 -12.324 5.763 1027 HA GLU 130 HA GLU 130 -7.042 -11.122 3.472 1028 HB2 GLU 130 2HB GLU 130 -9.186 -11.902 2.349 1029 HB3 GLU 130 1HB GLU 130 -8.167 -13.157 3.032 1030 HG2 GLU 130 2HG GLU 130 -9.622 -13.453 4.877 1031 HG3 GLU 130 1HG GLU 130 -10.514 -11.981 4.495 1032 H GLU 131 HN GLU 131 -7.420 -9.157 2.666 1033 HA GLU 131 HA GLU 131 -9.874 -7.757 3.494 1034 HB2 GLU 131 2HB GLU 131 -7.935 -6.731 4.581 1035 HB3 GLU 131 1HB GLU 131 -7.133 -6.562 3.027 1036 HG2 GLU 131 2HG GLU 131 -8.043 -4.443 3.715 1037 HG3 GLU 131 1HG GLU 131 -8.901 -5.028 2.292 1038 H GLU 132 HN GLU 132 -11.070 -6.902 1.902 1039 HA GLU 132 HA GLU 132 -10.213 -7.518 -0.822 1040 HB2 GLU 132 2HB GLU 132 -12.398 -8.369 -0.061 1041 HB3 GLU 132 1HB GLU 132 -12.941 -6.720 0.217 1042 HG2 GLU 132 2HG GLU 132 -12.763 -6.228 -2.144 1043 HG3 GLU 132 1HG GLU 132 -12.113 -7.838 -2.449 1044 H ILE 133 HN ILE 133 -10.044 -6.022 -2.422 1045 HA ILE 133 HA ILE 133 -9.866 -3.243 -1.532 1046 HB ILE 133 HB ILE 133 -8.844 -4.499 -4.082 1047 HG12 ILE 133 2HG1 ILE 133 -7.346 -3.714 -1.572 1048 HG13 ILE 133 1HG1 ILE 133 -7.694 -5.360 -2.082 1049 HG21 ILE 133 1HG2 ILE 133 -9.303 -2.123 -4.324 1050 HG22 ILE 133 2HG2 ILE 133 -7.566 -2.428 -4.342 1051 HG23 ILE 133 3HG2 ILE 133 -8.332 -1.776 -2.893 1052 HD11 ILE 133 3HD1 ILE 133 -5.935 -3.375 -3.507 1053 HD12 ILE 133 1HD1 ILE 133 -6.336 -4.984 -4.110 1054 HD13 ILE 133 2HD1 ILE 133 -5.416 -4.806 -2.617 1055 H ILE 134 HN ILE 134 -11.379 -1.841 -2.059 1056 HA ILE 134 HA ILE 134 -13.259 -2.505 -4.211 1057 HB ILE 134 HB ILE 134 -13.460 -0.382 -2.064 1058 HG12 ILE 134 2HG1 ILE 134 -13.650 -2.628 -1.120 1059 HG13 ILE 134 1HG1 ILE 134 -15.217 -1.819 -1.093 1060 HG21 ILE 134 1HG2 ILE 134 -15.508 -1.277 -4.087 1061 HG22 ILE 134 2HG2 ILE 134 -14.638 0.257 -4.096 1062 HG23 ILE 134 3HG2 ILE 134 -15.772 -0.105 -2.795 1063 HD11 ILE 134 3HD1 ILE 134 -15.420 -4.155 -1.750 1064 HD12 ILE 134 1HD1 ILE 134 -14.322 -3.880 -3.104 1065 HD13 ILE 134 2HD1 ILE 134 -15.895 -3.081 -3.065 1066 H LEU 135 HN LEU 135 -13.202 -1.414 -6.090 1067 HA LEU 135 HA LEU 135 -11.133 0.642 -6.341 1068 HB2 LEU 135 2HB LEU 135 -12.597 -0.949 -8.450 1069 HB3 LEU 135 1HB LEU 135 -11.309 0.199 -8.760 1070 HG LEU 135 HG LEU 135 -11.053 -2.416 -7.271 1071 HD11 LEU 135 1HD1 LEU 135 -9.607 -3.042 -9.135 1072 HD12 LEU 135 2HD1 LEU 135 -9.947 -1.499 -9.918 1073 HD13 LEU 135 3HD1 LEU 135 -11.243 -2.672 -9.683 1074 HD21 LEU 135 3HD2 LEU 135 -8.975 -0.317 -7.872 1075 HD22 LEU 135 1HD2 LEU 135 -8.656 -1.914 -7.192 1076 HD23 LEU 135 2HD2 LEU 135 -9.602 -0.738 -6.279 1077 H LYS 136 HN LYS 136 -11.725 2.665 -6.309 1078 HA LYS 136 HA LYS 136 -14.413 3.434 -7.224 1079 HB2 LYS 136 2HB LYS 136 -12.397 4.711 -5.394 1080 HB3 LYS 136 1HB LYS 136 -13.700 5.653 -6.097 1081 HG2 LYS 136 2HG LYS 136 -14.263 3.144 -4.566 1082 HG3 LYS 136 1HG LYS 136 -14.013 4.687 -3.747 1083 HD2 LYS 136 2HD LYS 136 -15.804 5.654 -5.192 1084 HD3 LYS 136 1HD LYS 136 -16.117 4.028 -5.801 1085 HE2 LYS 136 2HE LYS 136 -16.774 3.263 -3.644 1086 HE3 LYS 136 1HE LYS 136 -16.210 4.749 -2.880 1087 HZ1 LYS 136 3HZ LYS 136 -18.422 4.652 -4.858 1088 HZ2 LYS 136 1HZ LYS 136 -17.947 5.978 -3.915 1089 HZ3 LYS 136 2HZ LYS 136 -18.655 4.622 -3.182 1090 H GLU 137 HN GLU 137 -14.593 5.430 -8.476 1091 HA GLU 137 HA GLU 137 -12.147 6.102 -9.976 1092 HB2 GLU 137 2HB GLU 137 -14.996 5.858 -10.745 1093 HB3 GLU 137 1HB GLU 137 -14.095 7.175 -11.479 1094 HG2 GLU 137 2HG GLU 137 -12.838 5.795 -12.740 1095 HG3 GLU 137 1HG GLU 137 -12.770 4.548 -11.497 1096 H GLU 138 HN GLU 138 -14.413 7.076 -7.774 1097 HA GLU 138 HA GLU 138 -14.045 9.936 -8.125 1098 HB2 GLU 138 2HB GLU 138 -15.580 10.021 -6.102 1099 HB3 GLU 138 1HB GLU 138 -16.264 9.327 -7.565 1100 HG2 GLU 138 2HG GLU 138 -15.744 7.069 -6.660 1101 HG3 GLU 138 1HG GLU 138 -15.231 7.841 -5.163 1102 H LEU 139 HN LEU 139 -12.774 11.175 -6.880 1103 HA LEU 139 HA LEU 139 -10.967 9.883 -5.011 1104 HB2 LEU 139 2HB LEU 139 -11.203 12.786 -5.824 1105 HB3 LEU 139 1HB LEU 139 -9.916 12.102 -4.852 1106 HG LEU 139 HG LEU 139 -10.490 11.396 -7.723 1107 HD11 LEU 139 1HD1 LEU 139 -8.261 13.025 -6.525 1108 HD12 LEU 139 2HD1 LEU 139 -9.607 13.659 -7.471 1109 HD13 LEU 139 3HD1 LEU 139 -8.428 12.584 -8.225 1110 HD21 LEU 139 3HD2 LEU 139 -8.367 10.189 -7.626 1111 HD22 LEU 139 1HD2 LEU 139 -9.541 9.523 -6.491 1112 HD23 LEU 139 2HD2 LEU 139 -8.238 10.558 -5.906 1113 H GLU 140 HN GLU 140 -10.666 10.733 -2.816 1114 HA GLU 140 HA GLU 140 -13.258 11.588 -1.733 1115 HB2 GLU 140 2HB GLU 140 -12.971 10.260 0.163 1116 HB3 GLU 140 1HB GLU 140 -12.392 9.248 -1.146 1117 HG2 GLU 140 2HG GLU 140 -10.742 8.858 0.343 1118 HG3 GLU 140 1HG GLU 140 -10.062 10.302 -0.405 1119 H HIS 141 HN HIS 141 -13.321 13.545 -1.039 1120 HA HIS 141 HA HIS 141 -11.149 14.517 0.660 1121 HB2 HIS 141 2HB HIS 141 -12.495 16.143 -1.525 1122 HB3 HIS 141 1HB HIS 141 -11.499 16.837 -0.250 1123 HD1 HIS 141 1HD HIS 141 -11.115 16.411 -3.583 1124 HD2 HIS 141 2HD HIS 141 -8.905 14.923 -0.384 1125 HE1 HIS 141 1HE HIS 141 -8.870 15.788 -4.531 1126 HE2 HIS 141 2HE HIS 141 -7.687 14.602 -2.642 1127 H HIS 142 HN HIS 142 -12.266 14.153 2.487 1128 HA HIS 142 HA HIS 142 -15.070 14.183 2.667 1129 HB2 HIS 142 2HB HIS 142 -13.320 12.949 4.120 1130 HB3 HIS 142 1HB HIS 142 -13.263 14.435 5.060 1131 HD1 HIS 142 1HD HIS 142 -15.309 14.984 6.541 1132 HD2 HIS 142 2HD HIS 142 -15.650 11.435 4.394 1133 HE1 HIS 142 1HE HIS 142 -17.272 13.772 7.537 1134 HE2 HIS 142 2HE HIS 142 -17.308 11.530 6.382 1135 H HIS 143 HN HIS 143 -15.732 16.214 1.902 1136 HA HIS 143 HA HIS 143 -16.440 18.357 2.025 1137 HB2 HIS 143 2HB HIS 143 -16.566 17.560 4.929 1138 HB3 HIS 143 1HB HIS 143 -17.189 19.095 4.333 1139 HD1 HIS 143 1HD HIS 143 -18.774 18.461 1.942 1140 HD2 HIS 143 2HD HIS 143 -18.659 15.879 5.208 1141 HE1 HIS 143 1HE HIS 143 -20.847 17.047 1.766 1142 HE2 HIS 143 2HE HIS 143 -20.761 15.481 3.738 1143 H HIS 144 HN HIS 144 -13.575 17.970 2.086 1144 HA HIS 144 HA HIS 144 -12.869 20.655 2.946 1145 HB2 HIS 144 2HB HIS 144 -12.237 18.605 4.637 1146 HB3 HIS 144 1HB HIS 144 -10.803 18.642 3.615 1147 HD1 HIS 144 1HD HIS 144 -9.546 19.421 5.844 1148 HD2 HIS 144 2HD HIS 144 -12.313 22.109 4.277 1149 HE1 HIS 144 1HE HIS 144 -9.071 21.618 6.969 1150 HE2 HIS 144 2HE HIS 144 -10.864 23.180 6.144 1151 H HIS 145 HN HIS 145 -12.258 21.494 1.094 1152 HA HIS 145 HA HIS 145 -11.307 21.808 -0.938 1153 HB2 HIS 145 2HB HIS 145 -9.685 19.393 -0.159 1154 HB3 HIS 145 1HB HIS 145 -9.540 20.136 -1.750 1155 HD1 HIS 145 1HD HIS 145 -7.196 20.037 0.311 1156 HD2 HIS 145 2HD HIS 145 -9.745 23.272 -0.295 1157 HE1 HIS 145 1HE HIS 145 -5.931 22.063 1.102 1158 HE2 HIS 145 2HE HIS 145 -7.443 24.019 0.623 1159 H HIS 146 HN HIS 146 -11.331 20.897 -3.160 1160 HA HIS 146 HA HIS 146 -13.548 18.971 -3.354 1161 HB2 HIS 146 2HB HIS 146 -13.983 21.346 -4.115 1162 HB3 HIS 146 1HB HIS 146 -12.805 21.074 -5.394 1163 HD1 HIS 146 1HD HIS 146 -16.311 20.901 -4.747 1164 HD2 HIS 146 2HD HIS 146 -13.639 18.758 -7.099 1165 HE1 HIS 146 1HE HIS 146 -17.724 19.665 -6.425 1166 HE2 HIS 146 2HE HIS 146 -16.095 18.217 -7.697 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -14.132 -2.049 4.935 2 H2 MET 1 H2 MET 1 -12.822 -2.359 5.957 3 H3 MET 1 H3 MET 1 -13.906 -3.602 5.570 4 HA MET 1 HA MET 1 -11.903 -3.896 4.316 5 HB2 MET 1 2HB MET 1 -12.854 -4.134 2.160 6 HB3 MET 1 1HB MET 1 -14.197 -4.319 3.278 7 HG2 MET 1 2HG MET 1 -13.524 -1.849 1.691 8 HG3 MET 1 1HG MET 1 -14.842 -2.974 1.370 9 HE1 MET 1 2HE MET 1 -15.184 0.205 1.643 10 HE2 MET 1 3HE MET 1 -16.669 0.285 2.591 11 HE3 MET 1 1HE MET 1 -16.516 -0.892 1.287 12 H ILE 2 HN ILE 2 -10.936 -2.965 2.095 13 HA ILE 2 HA ILE 2 -10.334 -0.132 2.633 14 HB ILE 2 HB ILE 2 -8.396 -1.667 2.900 15 HG12 ILE 2 2HG1 ILE 2 -8.121 0.205 0.541 16 HG13 ILE 2 1HG1 ILE 2 -8.129 0.713 2.229 17 HG21 ILE 2 1HG2 ILE 2 -7.372 -2.679 0.919 18 HG22 ILE 2 2HG2 ILE 2 -8.748 -2.160 -0.053 19 HG23 ILE 2 3HG2 ILE 2 -8.976 -3.341 1.235 20 HD11 ILE 2 3HD1 ILE 2 -5.870 0.603 1.336 21 HD12 ILE 2 1HD1 ILE 2 -6.098 -1.101 0.940 22 HD13 ILE 2 2HD1 ILE 2 -6.098 -0.580 2.624 23 H THR 3 HN THR 3 -10.487 1.335 1.001 24 HA THR 3 HA THR 3 -11.446 0.331 -1.597 25 HB THR 3 HB THR 3 -12.389 2.844 -0.212 26 HG1 THR 3 1HG THR 3 -13.131 0.925 0.837 27 HG21 THR 3 3HG2 THR 3 -12.522 2.947 -2.647 28 HG22 THR 3 1HG2 THR 3 -14.135 2.839 -1.938 29 HG23 THR 3 2HG2 THR 3 -13.396 1.416 -2.672 30 H LEU 4 HN LEU 4 -10.372 1.093 -3.322 31 HA LEU 4 HA LEU 4 -9.024 3.660 -3.113 32 HB2 LEU 4 2HB LEU 4 -6.969 2.764 -4.164 33 HB3 LEU 4 1HB LEU 4 -7.239 2.197 -2.533 34 HG LEU 4 HG LEU 4 -8.322 0.132 -3.828 35 HD11 LEU 4 1HD1 LEU 4 -7.046 -0.389 -5.842 36 HD12 LEU 4 2HD1 LEU 4 -6.260 1.188 -5.760 37 HD13 LEU 4 3HD1 LEU 4 -7.998 1.081 -6.049 38 HD21 LEU 4 3HD2 LEU 4 -6.173 -1.008 -3.613 39 HD22 LEU 4 1HD2 LEU 4 -6.500 0.016 -2.214 40 HD23 LEU 4 2HD2 LEU 4 -5.360 0.550 -3.449 41 H THR 5 HN THR 5 -8.178 4.326 -5.301 42 HA THR 5 HA THR 5 -10.372 3.761 -7.162 43 HB THR 5 HB THR 5 -9.874 5.979 -8.129 44 HG1 THR 5 1HG THR 5 -8.436 7.041 -6.161 45 HG21 THR 5 3HG2 THR 5 -10.292 6.000 -5.138 46 HG22 THR 5 1HG2 THR 5 -11.549 5.728 -6.348 47 HG23 THR 5 2HG2 THR 5 -10.735 7.291 -6.257 48 H LYS 6 HN LYS 6 -9.782 4.255 -9.497 49 HA LYS 6 HA LYS 6 -7.926 2.470 -10.527 50 HB2 LYS 6 2HB LYS 6 -9.818 3.648 -11.721 51 HB3 LYS 6 1HB LYS 6 -8.780 5.055 -11.829 52 HG2 LYS 6 2HG LYS 6 -7.144 3.713 -13.100 53 HG3 LYS 6 1HG LYS 6 -8.279 2.360 -13.070 54 HD2 LYS 6 2HD LYS 6 -9.947 3.751 -14.211 55 HD3 LYS 6 1HD LYS 6 -8.787 5.077 -14.268 56 HE2 LYS 6 2HE LYS 6 -7.283 3.670 -15.616 57 HE3 LYS 6 1HE LYS 6 -8.496 2.388 -15.594 58 HZ1 LYS 6 3HZ LYS 6 -8.913 5.106 -16.711 59 HZ2 LYS 6 1HZ LYS 6 -10.028 3.835 -16.741 60 HZ3 LYS 6 2HZ LYS 6 -8.592 3.722 -17.631 61 H LYS 7 HN LYS 7 -7.652 5.919 -9.900 62 HA LYS 7 HA LYS 7 -5.102 6.400 -10.888 63 HB2 LYS 7 2HB LYS 7 -6.899 8.014 -9.992 64 HB3 LYS 7 1HB LYS 7 -6.217 7.698 -8.407 65 HG2 LYS 7 2HG LYS 7 -4.382 8.560 -10.574 66 HG3 LYS 7 1HG LYS 7 -5.472 9.747 -9.867 67 HD2 LYS 7 2HD LYS 7 -3.597 8.011 -8.264 68 HD3 LYS 7 1HD LYS 7 -3.211 9.648 -8.796 69 HE2 LYS 7 2HE LYS 7 -5.071 10.535 -7.522 70 HE3 LYS 7 1HE LYS 7 -5.567 8.908 -7.061 71 HZ1 LYS 7 3HZ LYS 7 -3.312 8.698 -5.993 72 HZ2 LYS 7 1HZ LYS 7 -4.379 9.785 -5.243 73 HZ3 LYS 7 2HZ LYS 7 -3.123 10.366 -6.221 74 H GLN 8 HN GLN 8 -6.120 5.140 -7.735 75 HA GLN 8 HA GLN 8 -3.534 5.078 -6.559 76 HB2 GLN 8 2HB GLN 8 -5.867 3.230 -5.983 77 HB3 GLN 8 1HB GLN 8 -4.508 3.575 -4.922 78 HG2 GLN 8 2HG GLN 8 -6.659 5.495 -5.766 79 HG3 GLN 8 1HG GLN 8 -6.461 4.757 -4.177 80 HE21 GLN 8 1HE2 GLN 8 -4.730 5.399 -2.890 81 HE22 GLN 8 2HE2 GLN 8 -3.940 6.913 -3.129 82 H MET 9 HN MET 9 -5.463 2.634 -8.276 83 HA MET 9 HA MET 9 -3.629 0.533 -8.140 84 HB2 MET 9 2HB MET 9 -5.984 0.349 -8.947 85 HB3 MET 9 1HB MET 9 -5.507 1.167 -10.429 86 HG2 MET 9 2HG MET 9 -5.633 -1.224 -10.771 87 HG3 MET 9 1HG MET 9 -3.972 -0.658 -10.952 88 HE1 MET 9 3HE MET 9 -5.980 -1.201 -7.604 89 HE2 MET 9 1HE MET 9 -5.552 -2.866 -7.215 90 HE3 MET 9 2HE MET 9 -6.540 -2.518 -8.634 91 H GLU 10 HN GLU 10 -4.017 3.078 -10.576 92 HA GLU 10 HA GLU 10 -1.897 2.362 -12.241 93 HB2 GLU 10 2HB GLU 10 -3.430 4.861 -11.664 94 HB3 GLU 10 1HB GLU 10 -2.024 4.944 -12.695 95 HG2 GLU 10 2HG GLU 10 -4.349 3.106 -13.165 96 HG3 GLU 10 1HG GLU 10 -4.176 4.697 -13.905 97 H GLU 11 HN GLU 11 -1.993 4.542 -9.419 98 HA GLU 11 HA GLU 11 0.659 5.426 -9.571 99 HB2 GLU 11 2HB GLU 11 -1.419 5.287 -7.440 100 HB3 GLU 11 1HB GLU 11 0.217 5.679 -6.978 101 HG2 GLU 11 2HG GLU 11 0.097 7.479 -8.805 102 HG3 GLU 11 1HG GLU 11 -1.642 7.199 -8.755 103 H MET 12 HN MET 12 -0.775 2.653 -7.893 104 HA MET 12 HA MET 12 1.682 1.770 -6.749 105 HB2 MET 12 2HB MET 12 -0.900 0.293 -7.290 106 HB3 MET 12 1HB MET 12 0.458 -0.388 -6.404 107 HG2 MET 12 2HG MET 12 0.247 1.412 -4.742 108 HG3 MET 12 1HG MET 12 -1.160 2.022 -5.611 109 HE1 MET 12 3HE MET 12 -3.660 -1.004 -5.219 110 HE2 MET 12 1HE MET 12 -2.493 -0.772 -6.522 111 HE3 MET 12 2HE MET 12 -3.423 0.599 -5.914 112 H LEU 13 HN LEU 13 -0.130 0.892 -9.664 113 HA LEU 13 HA LEU 13 1.532 -1.202 -10.519 114 HB2 LEU 13 2HB LEU 13 -0.356 0.633 -11.956 115 HB3 LEU 13 1HB LEU 13 0.561 -0.580 -12.825 116 HG LEU 13 HG LEU 13 -1.431 -1.091 -10.617 117 HD11 LEU 13 1HD1 LEU 13 -2.447 -0.451 -12.736 118 HD12 LEU 13 2HD1 LEU 13 -2.753 -2.147 -12.362 119 HD13 LEU 13 3HD1 LEU 13 -1.533 -1.714 -13.562 120 HD21 LEU 13 3HD2 LEU 13 0.410 -2.695 -10.529 121 HD22 LEU 13 1HD2 LEU 13 0.179 -3.061 -12.239 122 HD23 LEU 13 2HD2 LEU 13 -1.082 -3.460 -11.072 123 H ALA 14 HN ALA 14 1.589 2.259 -11.331 124 HA ALA 14 HA ALA 14 3.696 2.173 -13.175 125 HB1 ALA 14 1HB ALA 14 3.967 4.551 -12.760 126 HB2 ALA 14 2HB ALA 14 3.029 4.421 -11.273 127 HB3 ALA 14 3HB ALA 14 2.253 4.142 -12.831 128 H HIS 15 HN HIS 15 3.725 2.493 -9.659 129 HA HIS 15 HA HIS 15 6.554 2.741 -9.432 130 HB2 HIS 15 2HB HIS 15 4.881 3.411 -7.680 131 HB3 HIS 15 1HB HIS 15 4.611 1.706 -7.356 132 HD1 HIS 15 1HD HIS 15 7.472 4.223 -7.286 133 HD2 HIS 15 2HD HIS 15 6.275 0.663 -5.481 134 HE1 HIS 15 1HE HIS 15 9.156 3.777 -5.468 135 HE2 HIS 15 2HE HIS 15 8.262 1.765 -4.240 136 H ALA 16 HN ALA 16 4.288 0.061 -9.428 137 HA ALA 16 HA ALA 16 6.039 -1.967 -8.601 138 HB1 ALA 16 1HB ALA 16 4.416 -3.525 -9.510 139 HB2 ALA 16 2HB ALA 16 3.636 -2.219 -10.404 140 HB3 ALA 16 3HB ALA 16 3.607 -2.221 -8.640 141 H ARG 17 HN ARG 17 5.046 -1.055 -11.929 142 HA ARG 17 HA ARG 17 6.726 -2.907 -13.226 143 HB2 ARG 17 2HB ARG 17 5.458 -0.335 -14.122 144 HB3 ARG 17 1HB ARG 17 6.601 -1.165 -15.166 145 HG2 ARG 17 2HG ARG 17 4.798 -2.214 -15.952 146 HG3 ARG 17 1HG ARG 17 4.929 -3.195 -14.494 147 HD2 ARG 17 2HD ARG 17 2.649 -2.401 -14.803 148 HD3 ARG 17 1HD ARG 17 3.363 -1.701 -13.351 149 HE ARG 17 HE ARG 17 3.846 0.259 -15.011 150 HH11 ARG 17 1HH1 ARG 17 0.973 -1.729 -14.913 151 HH12 ARG 17 2HH1 ARG 17 -0.086 -0.465 -15.452 152 HH21 ARG 17 1HH2 ARG 17 2.480 1.928 -15.735 153 HH22 ARG 17 2HH2 ARG 17 0.779 1.617 -15.964 154 H GLN 18 HN GLN 18 7.266 0.366 -12.134 155 HA GLN 18 HA GLN 18 9.727 0.860 -13.358 156 HB2 GLN 18 2HB GLN 18 8.246 2.526 -12.253 157 HB3 GLN 18 1HB GLN 18 8.729 1.878 -10.697 158 HG2 GLN 18 2HG GLN 18 11.040 2.517 -11.148 159 HG3 GLN 18 1HG GLN 18 10.547 3.189 -12.702 160 HE21 GLN 18 1HE2 GLN 18 9.330 5.086 -12.758 161 HE22 GLN 18 2HE2 GLN 18 9.196 6.127 -11.373 162 H ALA 19 HN ALA 19 8.920 -0.827 -10.386 163 HA ALA 19 HA ALA 19 11.770 -1.049 -9.727 164 HB1 ALA 19 1HB ALA 19 11.085 -1.630 -7.493 165 HB2 ALA 19 2HB ALA 19 9.395 -1.687 -7.992 166 HB3 ALA 19 3HB ALA 19 10.266 -0.153 -8.003 167 H LEU 20 HN LEU 20 9.651 -2.820 -11.456 168 HA LEU 20 HA LEU 20 10.001 -5.438 -10.465 169 HB2 LEU 20 2HB LEU 20 9.421 -4.378 -13.222 170 HB3 LEU 20 1HB LEU 20 9.553 -6.090 -12.892 171 HG LEU 20 HG LEU 20 7.520 -4.209 -11.695 172 HD11 LEU 20 1HD1 LEU 20 7.207 -6.464 -13.671 173 HD12 LEU 20 2HD1 LEU 20 7.139 -4.745 -14.059 174 HD13 LEU 20 3HD1 LEU 20 5.913 -5.462 -13.013 175 HD21 LEU 20 3HD2 LEU 20 7.872 -7.184 -11.341 176 HD22 LEU 20 1HD2 LEU 20 6.529 -6.223 -10.722 177 HD23 LEU 20 2HD2 LEU 20 8.162 -5.952 -10.113 178 HA PRO 21 HA PRO 21 10.224 -7.313 -11.110 179 HB2 PRO 21 2HB PRO 21 11.630 -9.615 -11.189 180 HB3 PRO 21 1HB PRO 21 11.025 -8.827 -12.648 181 HG2 PRO 21 2HG PRO 21 13.780 -9.097 -11.701 182 HG3 PRO 21 1HG PRO 21 13.188 -8.643 -13.307 183 HD2 PRO 21 2HD PRO 21 14.109 -6.926 -11.128 184 HD3 PRO 21 1HD PRO 21 13.786 -6.507 -12.823 185 H ASN 22 HN ASN 22 10.877 -5.930 -9.010 186 HA ASN 22 HA ASN 22 11.726 -7.901 -6.993 187 HB2 ASN 22 2HB ASN 22 12.153 -4.904 -6.851 188 HB3 ASN 22 1HB ASN 22 12.694 -6.095 -5.681 189 HD21 ASN 22 1HD2 ASN 22 13.259 -4.624 -8.739 190 HD22 ASN 22 2HD2 ASN 22 14.823 -5.310 -9.015 191 H GLU 23 HN GLU 23 10.867 -7.037 -4.717 192 HA GLU 23 HA GLU 23 8.027 -6.670 -5.041 193 HB2 GLU 23 2HB GLU 23 9.768 -6.957 -2.594 194 HB3 GLU 23 1HB GLU 23 8.050 -6.609 -2.489 195 HG2 GLU 23 2HG GLU 23 7.767 -8.704 -3.967 196 HG3 GLU 23 1HG GLU 23 9.416 -9.080 -3.475 197 H ALA 24 HN ALA 24 7.933 -4.687 -6.058 198 HA ALA 24 HA ALA 24 9.053 -2.285 -5.188 199 HB1 ALA 24 1HB ALA 24 8.046 -2.596 -7.402 200 HB2 ALA 24 2HB ALA 24 7.370 -1.193 -6.574 201 HB3 ALA 24 3HB ALA 24 6.450 -2.696 -6.659 202 H CYS 25 HN CYS 25 8.788 -1.357 -3.267 203 HA CYS 25 HA CYS 25 6.168 -1.648 -1.966 204 HB2 CYS 25 2HB CYS 25 8.177 -2.841 -0.940 205 HB3 CYS 25 1HB CYS 25 8.776 -1.242 -0.512 206 HG CYS 25 HG CYS 25 5.631 -2.012 0.454 207 H GLY 26 HN GLY 26 5.750 0.020 -0.297 208 HA2 GLY 26 2HA GLY 26 6.913 2.560 -0.282 209 HA3 GLY 26 1HA GLY 26 5.588 2.571 -1.448 210 H LEU 27 HN LEU 27 4.555 4.128 0.059 211 HA LEU 27 HA LEU 27 3.226 2.663 2.246 212 HB2 LEU 27 2HB LEU 27 4.155 5.530 2.202 213 HB3 LEU 27 1HB LEU 27 3.006 4.919 3.375 214 HG LEU 27 HG LEU 27 5.855 3.969 3.042 215 HD11 LEU 27 1HD1 LEU 27 4.544 5.624 5.196 216 HD12 LEU 27 2HD1 LEU 27 5.721 6.193 4.013 217 HD13 LEU 27 3HD1 LEU 27 6.198 5.014 5.233 218 HD21 LEU 27 3HD2 LEU 27 5.437 2.680 5.082 219 HD22 LEU 27 1HD2 LEU 27 4.385 2.165 3.764 220 HD23 LEU 27 2HD2 LEU 27 3.747 3.185 5.054 221 H LEU 28 HN LEU 28 1.070 3.296 2.731 222 HA LEU 28 HA LEU 28 -0.293 4.633 0.485 223 HB2 LEU 28 2HB LEU 28 -1.226 2.315 2.181 224 HB3 LEU 28 1HB LEU 28 -2.257 3.188 1.064 225 HG LEU 28 HG LEU 28 0.220 1.652 0.275 226 HD11 LEU 28 1HD1 LEU 28 -1.552 0.178 1.071 227 HD12 LEU 28 2HD1 LEU 28 -1.333 0.031 -0.674 228 HD13 LEU 28 3HD1 LEU 28 -2.693 0.951 -0.029 229 HD21 LEU 28 3HD2 LEU 28 -1.937 2.950 -1.389 230 HD22 LEU 28 1HD2 LEU 28 -0.598 1.982 -2.005 231 HD23 LEU 28 2HD2 LEU 28 -0.279 3.526 -1.215 232 H GLY 29 HN GLY 29 -1.734 6.207 0.964 233 HA2 GLY 29 2HA GLY 29 -2.160 6.756 3.831 234 HA3 GLY 29 1HA GLY 29 -1.840 8.026 2.656 235 H GLY 30 HN GLY 30 -4.060 8.014 4.315 236 HA2 GLY 30 2HA GLY 30 -6.111 8.810 2.777 237 HA3 GLY 30 1HA GLY 30 -6.332 7.063 2.796 238 H ARG 31 HN ARG 31 -8.395 7.641 3.890 239 HA ARG 31 HA ARG 31 -7.918 8.247 6.717 240 HB2 ARG 31 2HB ARG 31 -9.492 9.753 5.386 241 HB3 ARG 31 1HB ARG 31 -10.583 8.374 5.338 242 HG2 ARG 31 2HG ARG 31 -10.422 8.295 7.833 243 HG3 ARG 31 1HG ARG 31 -9.590 9.838 7.745 244 HD2 ARG 31 2HD ARG 31 -12.113 9.732 6.261 245 HD3 ARG 31 1HD ARG 31 -12.281 9.528 8.004 246 HE ARG 31 HE ARG 31 -10.760 11.806 6.929 247 HH11 ARG 31 1HH1 ARG 31 -13.419 10.533 8.833 248 HH12 ARG 31 2HH1 ARG 31 -13.872 12.095 9.467 249 HH21 ARG 31 1HH2 ARG 31 -11.348 13.843 7.751 250 HH22 ARG 31 2HH2 ARG 31 -12.694 13.987 8.844 251 H ARG 32 HN ARG 32 -8.541 6.869 8.241 252 HA ARG 32 HA ARG 32 -10.203 4.577 7.458 253 HB2 ARG 32 2HB ARG 32 -9.387 3.518 9.594 254 HB3 ARG 32 1HB ARG 32 -8.140 3.748 8.379 255 HG2 ARG 32 2HG ARG 32 -7.284 5.672 9.556 256 HG3 ARG 32 1HG ARG 32 -8.603 5.580 10.724 257 HD2 ARG 32 2HD ARG 32 -6.460 4.640 11.562 258 HD3 ARG 32 1HD ARG 32 -7.791 3.486 11.567 259 HE ARG 32 HE ARG 32 -6.789 2.368 9.736 260 HH11 ARG 32 1HH1 ARG 32 -4.795 4.966 11.003 261 HH12 ARG 32 2HH1 ARG 32 -3.344 4.361 10.265 262 HH21 ARG 32 1HH2 ARG 32 -4.867 1.563 8.811 263 HH22 ARG 32 2HH2 ARG 32 -3.381 2.448 9.027 264 H ASP 33 HN ASP 33 -12.235 4.672 8.135 265 HA ASP 33 HA ASP 33 -12.863 6.667 10.236 266 HB2 ASP 33 2HB ASP 33 -13.571 6.880 7.655 267 HB3 ASP 33 1HB ASP 33 -14.916 5.901 8.218 268 H GLY 34 HN GLY 34 -12.219 3.883 10.499 269 HA2 GLY 34 2HA GLY 34 -13.481 2.694 12.379 270 HA3 GLY 34 1HA GLY 34 -14.779 2.617 11.188 271 H ASP 35 HN ASP 35 -14.900 0.691 10.237 272 HA ASP 35 HA ASP 35 -12.478 -0.906 9.901 273 HB2 ASP 35 2HB ASP 35 -14.588 -1.993 10.657 274 HB3 ASP 35 1HB ASP 35 -15.333 -1.561 9.122 275 H ASP 36 HN ASP 36 -14.207 1.435 8.277 276 HA ASP 36 HA ASP 36 -13.342 0.538 5.642 277 HB2 ASP 36 2HB ASP 36 -14.465 2.934 5.132 278 HB3 ASP 36 1HB ASP 36 -15.354 1.426 5.164 279 H ARG 37 HN ARG 37 -11.753 1.316 4.608 280 HA ARG 37 HA ARG 37 -10.541 3.849 5.412 281 HB2 ARG 37 2HB ARG 37 -8.337 2.577 4.510 282 HB3 ARG 37 1HB ARG 37 -8.775 2.687 6.204 283 HG2 ARG 37 2HG ARG 37 -9.757 0.372 4.600 284 HG3 ARG 37 1HG ARG 37 -8.074 0.409 5.128 285 HD2 ARG 37 2HD ARG 37 -8.880 0.757 7.463 286 HD3 ARG 37 1HD ARG 37 -10.532 0.538 6.879 287 HE ARG 37 HE ARG 37 -9.014 -1.663 6.039 288 HH11 ARG 37 1HH1 ARG 37 -10.245 -0.311 9.048 289 HH12 ARG 37 2HH1 ARG 37 -10.272 -1.848 9.851 290 HH21 ARG 37 1HH2 ARG 37 -9.044 -3.637 7.089 291 HH22 ARG 37 2HH2 ARG 37 -9.579 -3.742 8.750 292 H TRP 38 HN TRP 38 -10.162 5.216 3.783 293 HA TRP 38 HA TRP 38 -10.457 4.177 1.036 294 HB2 TRP 38 2HB TRP 38 -11.201 6.927 2.070 295 HB3 TRP 38 1HB TRP 38 -11.381 6.369 0.409 296 HD1 TRP 38 1HD TRP 38 -13.230 4.355 0.026 297 HE1 TRP 38 1HE TRP 38 -15.432 3.885 1.282 298 HE3 TRP 38 3HE TRP 38 -12.350 7.122 4.235 299 HZ2 TRP 38 2HZ TRP 38 -16.628 4.601 3.730 300 HZ3 TRP 38 3HZ TRP 38 -14.079 7.176 5.981 301 HH2 TRP 38 2HH TRP 38 -16.171 5.931 5.738 302 H VAL 39 HN VAL 39 -8.681 4.270 -0.118 303 HA VAL 39 HA VAL 39 -6.404 5.831 0.793 304 HB VAL 39 HB VAL 39 -6.444 4.183 -1.719 305 HG11 VAL 39 1HG1 VAL 39 -4.301 4.616 0.361 306 HG12 VAL 39 2HG1 VAL 39 -4.456 5.543 -1.129 307 HG13 VAL 39 3HG1 VAL 39 -4.114 3.813 -1.198 308 HG21 VAL 39 3HG2 VAL 39 -6.147 3.093 1.080 309 HG22 VAL 39 1HG2 VAL 39 -5.868 2.192 -0.410 310 HG23 VAL 39 2HG2 VAL 39 -7.487 2.777 -0.023 311 H GLU 40 HN GLU 40 -6.014 7.834 0.052 312 HA GLU 40 HA GLU 40 -7.443 8.676 -2.364 313 HB2 GLU 40 2HB GLU 40 -6.803 11.022 -1.449 314 HB3 GLU 40 1HB GLU 40 -8.106 10.120 -0.695 315 HG2 GLU 40 2HG GLU 40 -6.823 11.076 1.041 316 HG3 GLU 40 1HG GLU 40 -6.467 9.352 1.028 317 H ARG 41 HN ARG 41 -4.233 8.471 -0.985 318 HA ARG 41 HA ARG 41 -3.136 9.069 -3.633 319 HB2 ARG 41 2HB ARG 41 -3.066 11.166 -2.360 320 HB3 ARG 41 1HB ARG 41 -2.214 10.355 -1.056 321 HG2 ARG 41 2HG ARG 41 -0.327 9.946 -2.578 322 HG3 ARG 41 1HG ARG 41 -1.186 10.826 -3.846 323 HD2 ARG 41 2HD ARG 41 -1.227 12.816 -2.404 324 HD3 ARG 41 1HD ARG 41 -0.326 11.933 -1.175 325 HE ARG 41 HE ARG 41 1.045 11.911 -3.672 326 HH11 ARG 41 1HH1 ARG 41 0.354 13.878 -0.866 327 HH12 ARG 41 2HH1 ARG 41 1.750 14.882 -1.054 328 HH21 ARG 41 1HH2 ARG 41 2.889 13.231 -3.946 329 HH22 ARG 41 2HH2 ARG 41 3.194 14.530 -2.831 330 H VAL 42 HN VAL 42 -1.392 7.848 -4.163 331 HA VAL 42 HA VAL 42 -0.418 5.944 -2.172 332 HB VAL 42 HB VAL 42 0.173 6.177 -5.133 333 HG11 VAL 42 1HG1 VAL 42 2.060 5.186 -3.958 334 HG12 VAL 42 2HG1 VAL 42 1.219 3.965 -4.913 335 HG13 VAL 42 3HG1 VAL 42 0.983 4.035 -3.168 336 HG21 VAL 42 3HG2 VAL 42 -2.124 5.504 -4.670 337 HG22 VAL 42 1HG2 VAL 42 -1.546 4.222 -3.604 338 HG23 VAL 42 2HG2 VAL 42 -1.203 4.153 -5.333 339 H TYR 43 HN TYR 43 1.608 6.024 -1.313 340 HA TYR 43 HA TYR 43 3.200 8.399 -1.995 341 HB2 TYR 43 2HB TYR 43 2.951 6.914 0.626 342 HB3 TYR 43 1HB TYR 43 4.105 8.211 0.336 343 HD1 TYR 43 1HD TYR 43 0.452 7.474 0.295 344 HD2 TYR 43 2HD TYR 43 3.472 10.440 0.708 345 HE1 TYR 43 1HE TYR 43 -1.263 9.121 0.915 346 HE2 TYR 43 2HE TYR 43 1.762 12.100 1.325 347 HH TYR 43 HH TYR 43 -1.623 11.181 1.774 348 HA PRO 44 HA PRO 44 5.709 4.868 -3.428 349 HB2 PRO 44 2HB PRO 44 6.807 6.806 -5.314 350 HB3 PRO 44 1HB PRO 44 5.920 5.316 -5.639 351 HG2 PRO 44 2HG PRO 44 4.875 7.767 -6.110 352 HG3 PRO 44 1HG PRO 44 3.882 6.374 -5.638 353 HD2 PRO 44 2HD PRO 44 4.887 8.646 -3.958 354 HD3 PRO 44 1HD PRO 44 3.285 7.874 -3.965 355 H LEU 45 HN LEU 45 7.292 4.513 -2.015 356 HA LEU 45 HA LEU 45 9.303 6.573 -1.522 357 HB2 LEU 45 2HB LEU 45 9.093 3.835 -0.268 358 HB3 LEU 45 1HB LEU 45 10.060 5.186 0.291 359 HG LEU 45 HG LEU 45 7.049 4.994 0.340 360 HD11 LEU 45 1HD1 LEU 45 9.099 5.027 2.547 361 HD12 LEU 45 2HD1 LEU 45 8.124 3.647 2.040 362 HD13 LEU 45 3HD1 LEU 45 7.350 5.053 2.770 363 HD21 LEU 45 3HD2 LEU 45 7.088 7.140 1.496 364 HD22 LEU 45 1HD2 LEU 45 7.761 7.285 -0.127 365 HD23 LEU 45 2HD2 LEU 45 8.834 7.241 1.272 366 H ASN 46 HN ASN 46 11.588 5.972 -1.662 367 HA ASN 46 HA ASN 46 12.290 4.735 -4.083 368 HB2 ASN 46 2HB ASN 46 13.737 6.352 -2.897 369 HB3 ASN 46 1HB ASN 46 14.026 5.159 -1.637 370 HD21 ASN 46 1HD2 ASN 46 16.208 5.062 -1.958 371 HD22 ASN 46 2HD2 ASN 46 16.929 4.343 -3.358 372 H ASN 47 HN ASN 47 13.322 2.723 -4.503 373 HA ASN 47 HA ASN 47 12.430 0.638 -2.649 374 HB2 ASN 47 2HB ASN 47 11.846 0.682 -5.191 375 HB3 ASN 47 1HB ASN 47 13.484 0.067 -5.404 376 HD21 ASN 47 1HD2 ASN 47 13.972 -2.030 -4.708 377 HD22 ASN 47 2HD2 ASN 47 12.748 -3.157 -4.250 378 H LEU 48 HN LEU 48 13.907 0.152 -1.194 379 HA LEU 48 HA LEU 48 16.668 0.738 -1.589 380 HB2 LEU 48 2HB LEU 48 15.128 -0.533 0.657 381 HB3 LEU 48 1HB LEU 48 16.866 -0.329 0.709 382 HG LEU 48 HG LEU 48 15.847 1.427 1.958 383 HD11 LEU 48 1HD1 LEU 48 16.709 3.408 0.826 384 HD12 LEU 48 2HD1 LEU 48 16.806 2.500 -0.682 385 HD13 LEU 48 3HD1 LEU 48 17.822 2.047 0.687 386 HD21 LEU 48 3HD2 LEU 48 14.297 3.042 1.002 387 HD22 LEU 48 1HD2 LEU 48 13.629 1.410 0.982 388 HD23 LEU 48 2HD2 LEU 48 14.267 2.118 -0.501 389 H ASP 49 HN ASP 49 14.887 -2.326 -1.022 390 HA ASP 49 HA ASP 49 17.404 -3.753 -1.458 391 HB2 ASP 49 2HB ASP 49 15.630 -4.255 0.435 392 HB3 ASP 49 1HB ASP 49 14.851 -5.183 -0.833 393 H GLN 50 HN GLN 50 17.894 -4.550 -3.352 394 HA GLN 50 HA GLN 50 15.881 -4.845 -5.416 395 HB2 GLN 50 2HB GLN 50 18.844 -5.465 -5.498 396 HB3 GLN 50 1HB GLN 50 17.764 -5.393 -6.884 397 HG2 GLN 50 2HG GLN 50 18.470 -3.084 -5.086 398 HG3 GLN 50 1HG GLN 50 19.140 -3.387 -6.687 399 HE21 GLN 50 1HE2 GLN 50 17.610 -1.110 -5.635 400 HE22 GLN 50 2HE2 GLN 50 16.247 -0.941 -6.683 401 H SER 51 HN SER 51 14.976 -6.454 -3.687 402 HA SER 51 HA SER 51 15.890 -9.150 -4.427 403 HB2 SER 51 2HB SER 51 15.065 -8.136 -1.702 404 HB3 SER 51 1HB SER 51 15.242 -9.841 -2.086 405 HG SER 51 HG SER 51 17.182 -7.840 -1.820 406 HA PRO 52 HA PRO 52 11.557 -9.724 -5.310 407 HB2 PRO 52 2HB PRO 52 11.868 -12.527 -5.634 408 HB3 PRO 52 1HB PRO 52 11.915 -11.292 -6.892 409 HG2 PRO 52 2HG PRO 52 14.064 -12.872 -6.068 410 HG3 PRO 52 1HG PRO 52 14.176 -11.389 -7.028 411 HD2 PRO 52 2HD PRO 52 14.622 -11.805 -4.111 412 HD3 PRO 52 1HD PRO 52 15.428 -10.687 -5.231 413 H GLU 53 HN GLU 53 12.994 -10.627 -2.519 414 HA GLU 53 HA GLU 53 10.497 -11.760 -1.442 415 HB2 GLU 53 2HB GLU 53 13.307 -12.506 -0.600 416 HB3 GLU 53 1HB GLU 53 11.820 -13.134 0.093 417 HG2 GLU 53 2HG GLU 53 11.665 -14.699 -1.460 418 HG3 GLU 53 1HG GLU 53 11.859 -13.520 -2.758 419 H HIS 54 HN HIS 54 12.164 -9.074 -1.531 420 HA HIS 54 HA HIS 54 11.804 -8.457 1.320 421 HB2 HIS 54 2HB HIS 54 14.200 -7.817 -0.390 422 HB3 HIS 54 1HB HIS 54 13.813 -6.880 1.041 423 HD1 HIS 54 1HD HIS 54 16.291 -7.779 1.679 424 HD2 HIS 54 2HD HIS 54 13.206 -10.570 1.740 425 HE1 HIS 54 1HE HIS 54 17.133 -9.697 3.075 426 HE2 HIS 54 2HE HIS 54 15.157 -11.244 3.305 427 H PHE 55 HN PHE 55 11.235 -6.305 1.755 428 HA PHE 55 HA PHE 55 10.497 -4.729 -0.605 429 HB2 PHE 55 2HB PHE 55 8.496 -3.938 0.583 430 HB3 PHE 55 1HB PHE 55 8.469 -5.684 0.386 431 HD1 PHE 55 1HD PHE 55 8.857 -7.151 2.333 432 HD2 PHE 55 2HD PHE 55 8.546 -2.924 2.731 433 HE1 PHE 55 1HE PHE 55 8.466 -7.409 4.747 434 HE2 PHE 55 2HE PHE 55 8.161 -3.176 5.147 435 HZ PHE 55 HZ PHE 55 8.122 -5.420 6.157 436 H SER 56 HN SER 56 10.365 -2.414 -0.212 437 HA SER 56 HA SER 56 12.666 -1.625 1.351 438 HB2 SER 56 2HB SER 56 11.029 0.023 -0.559 439 HB3 SER 56 1HB SER 56 12.675 0.334 -0.004 440 HG SER 56 HG SER 56 11.737 -1.566 -1.839 441 H MET 57 HN MET 57 12.597 -0.462 3.144 442 HA MET 57 HA MET 57 10.398 1.323 3.702 443 HB2 MET 57 2HB MET 57 9.803 -0.953 4.632 444 HB3 MET 57 1HB MET 57 11.189 -0.797 5.702 445 HG2 MET 57 2HG MET 57 9.204 -0.199 6.869 446 HG3 MET 57 1HG MET 57 10.197 1.238 6.654 447 HE1 MET 57 3HE MET 57 8.010 -0.481 3.857 448 HE2 MET 57 1HE MET 57 6.467 0.344 4.069 449 HE3 MET 57 2HE MET 57 7.060 -0.749 5.319 450 H ASP 58 HN ASP 58 11.796 3.061 3.691 451 HA ASP 58 HA ASP 58 14.120 2.940 5.498 452 HB2 ASP 58 2HB ASP 58 14.776 3.466 3.243 453 HB3 ASP 58 1HB ASP 58 13.526 4.694 3.108 454 HA PRO 59 HA PRO 59 12.094 5.546 8.397 455 HB2 PRO 59 2HB PRO 59 14.298 6.945 9.324 456 HB3 PRO 59 1HB PRO 59 13.794 5.347 9.882 457 HG2 PRO 59 2HG PRO 59 15.892 6.088 7.890 458 HG3 PRO 59 1HG PRO 59 15.915 4.817 9.128 459 HD2 PRO 59 2HD PRO 59 15.476 4.249 6.546 460 HD3 PRO 59 1HD PRO 59 14.638 3.370 7.842 461 H ARG 60 HN ARG 60 14.460 7.191 6.273 462 HA ARG 60 HA ARG 60 13.332 9.777 6.766 463 HB2 ARG 60 2HB ARG 60 15.406 8.713 4.901 464 HB3 ARG 60 1HB ARG 60 14.674 10.269 4.533 465 HG2 ARG 60 2HG ARG 60 16.633 10.736 5.749 466 HG3 ARG 60 1HG ARG 60 15.294 10.982 6.869 467 HD2 ARG 60 2HD ARG 60 16.788 9.793 8.160 468 HD3 ARG 60 1HD ARG 60 15.744 8.516 7.540 469 HE ARG 60 HE ARG 60 17.935 8.875 5.796 470 HH11 ARG 60 1HH1 ARG 60 17.191 7.662 8.997 471 HH12 ARG 60 2HH1 ARG 60 18.510 6.521 9.014 472 HH21 ARG 60 1HH2 ARG 60 19.691 7.412 5.823 473 HH22 ARG 60 2HH2 ARG 60 19.960 6.414 7.219 474 H GLU 61 HN GLU 61 13.023 7.366 4.206 475 HA GLU 61 HA GLU 61 11.276 8.820 2.548 476 HB2 GLU 61 2HB GLU 61 11.574 5.850 3.003 477 HB3 GLU 61 1HB GLU 61 10.519 6.534 1.777 478 HG2 GLU 61 2HG GLU 61 13.487 6.993 1.929 479 HG3 GLU 61 1HG GLU 61 12.706 5.788 0.909 480 H GLN 62 HN GLN 62 10.648 6.633 5.270 481 HA GLN 62 HA GLN 62 7.844 6.702 5.192 482 HB2 GLN 62 2HB GLN 62 9.709 6.377 7.547 483 HB3 GLN 62 1HB GLN 62 7.973 6.125 7.627 484 HG2 GLN 62 2HG GLN 62 8.129 4.294 6.065 485 HG3 GLN 62 1HG GLN 62 9.858 4.583 5.864 486 HE21 GLN 62 1HE2 GLN 62 7.380 3.387 7.976 487 HE22 GLN 62 2HE2 GLN 62 8.427 2.595 9.104 488 H LEU 63 HN LEU 63 10.132 8.710 7.024 489 HA LEU 63 HA LEU 63 8.231 10.217 8.416 490 HB2 LEU 63 2HB LEU 63 10.617 10.119 9.004 491 HB3 LEU 63 1HB LEU 63 11.008 11.030 7.558 492 HG LEU 63 HG LEU 63 9.740 12.958 8.444 493 HD11 LEU 63 1HD1 LEU 63 9.036 12.956 10.791 494 HD12 LEU 63 2HD1 LEU 63 9.453 11.246 10.911 495 HD13 LEU 63 3HD1 LEU 63 8.151 11.764 9.841 496 HD21 LEU 63 3HD2 LEU 63 11.348 13.592 10.151 497 HD22 LEU 63 1HD2 LEU 63 12.154 12.764 8.820 498 HD23 LEU 63 2HD2 LEU 63 11.846 11.910 10.333 499 H THR 64 HN THR 64 9.818 10.818 5.316 500 HA THR 64 HA THR 64 8.754 13.386 4.880 501 HB THR 64 HB THR 64 9.583 11.349 2.800 502 HG1 THR 64 1HG THR 64 11.362 11.632 4.053 503 HG21 THR 64 3HG2 THR 64 8.359 13.266 1.870 504 HG22 THR 64 1HG2 THR 64 10.059 13.308 1.406 505 HG23 THR 64 2HG2 THR 64 9.467 14.370 2.684 506 H ALA 65 HN ALA 65 7.514 10.162 4.136 507 HA ALA 65 HA ALA 65 5.330 11.078 2.540 508 HB1 ALA 65 1HB ALA 65 5.649 8.436 3.958 509 HB2 ALA 65 2HB ALA 65 6.257 8.808 2.347 510 HB3 ALA 65 3HB ALA 65 4.520 8.798 2.652 511 H VAL 66 HN VAL 66 5.631 10.027 5.926 512 HA VAL 66 HA VAL 66 2.894 10.344 6.582 513 HB VAL 66 HB VAL 66 5.313 10.470 8.396 514 HG11 VAL 66 1HG1 VAL 66 2.409 10.029 9.086 515 HG12 VAL 66 2HG1 VAL 66 3.345 11.478 9.453 516 HG13 VAL 66 3HG1 VAL 66 3.762 9.941 10.212 517 HG21 VAL 66 3HG2 VAL 66 5.155 8.364 7.186 518 HG22 VAL 66 1HG2 VAL 66 3.476 8.186 7.697 519 HG23 VAL 66 2HG2 VAL 66 4.772 8.128 8.892 520 H LYS 67 HN LYS 67 5.625 12.534 6.578 521 HA LYS 67 HA LYS 67 4.563 14.665 8.028 522 HB2 LYS 67 2HB LYS 67 6.916 14.456 7.315 523 HB3 LYS 67 1HB LYS 67 6.433 14.751 5.655 524 HG2 LYS 67 2HG LYS 67 5.658 16.991 6.292 525 HG3 LYS 67 1HG LYS 67 6.204 16.691 7.945 526 HD2 LYS 67 2HD LYS 67 8.492 16.372 7.125 527 HD3 LYS 67 1HD LYS 67 7.945 16.679 5.478 528 HE2 LYS 67 2HE LYS 67 7.257 18.937 6.134 529 HE3 LYS 67 1HE LYS 67 7.820 18.626 7.777 530 HZ1 LYS 67 3HZ LYS 67 9.483 19.836 6.553 531 HZ2 LYS 67 1HZ LYS 67 9.495 18.667 5.321 532 HZ3 LYS 67 2HZ LYS 67 10.058 18.272 6.872 533 H ASP 68 HN ASP 68 4.389 13.980 4.552 534 HA ASP 68 HA ASP 68 2.817 16.277 3.921 535 HB2 ASP 68 2HB ASP 68 4.238 14.860 2.324 536 HB3 ASP 68 1HB ASP 68 2.922 13.694 2.348 537 H MET 69 HN MET 69 2.150 12.920 4.643 538 HA MET 69 HA MET 69 -0.557 12.780 3.982 539 HB2 MET 69 2HB MET 69 1.181 10.969 4.636 540 HB3 MET 69 1HB MET 69 0.648 11.276 6.276 541 HG2 MET 69 2HG MET 69 -1.612 10.657 5.696 542 HG3 MET 69 1HG MET 69 -1.133 10.414 4.014 543 HE1 MET 69 3HE MET 69 1.827 9.155 4.581 544 HE2 MET 69 1HE MET 69 0.753 8.572 3.309 545 HE3 MET 69 2HE MET 69 1.457 7.435 4.458 546 H ARG 70 HN ARG 70 0.996 13.489 7.111 547 HA ARG 70 HA ARG 70 -1.455 13.644 8.549 548 HB2 ARG 70 2HB ARG 70 -0.181 14.377 10.411 549 HB3 ARG 70 1HB ARG 70 0.841 13.238 9.543 550 HG2 ARG 70 2HG ARG 70 2.133 15.014 8.603 551 HG3 ARG 70 1HG ARG 70 1.022 16.223 9.244 552 HD2 ARG 70 2HD ARG 70 1.616 15.272 11.548 553 HD3 ARG 70 1HD ARG 70 2.969 14.489 10.730 554 HE ARG 70 HE ARG 70 3.063 17.148 9.982 555 HH11 ARG 70 1HH1 ARG 70 3.308 15.283 12.940 556 HH12 ARG 70 2HH1 ARG 70 4.271 16.477 13.765 557 HH21 ARG 70 1HH2 ARG 70 4.285 18.743 11.073 558 HH22 ARG 70 2HH2 ARG 70 4.795 18.461 12.712 559 H LYS 71 HN LYS 71 0.341 15.918 6.657 560 HA LYS 71 HA LYS 71 -0.804 18.316 7.656 561 HB2 LYS 71 2HB LYS 71 1.239 18.297 6.299 562 HB3 LYS 71 1HB LYS 71 0.337 17.670 4.929 563 HG2 LYS 71 2HG LYS 71 -1.090 19.812 5.198 564 HG3 LYS 71 1HG LYS 71 0.289 20.403 6.127 565 HD2 LYS 71 2HD LYS 71 0.458 21.072 3.785 566 HD3 LYS 71 1HD LYS 71 1.761 19.966 4.224 567 HE2 LYS 71 2HE LYS 71 0.642 18.127 3.163 568 HE3 LYS 71 1HE LYS 71 -0.795 19.107 2.876 569 HZ1 LYS 71 3HZ LYS 71 0.392 20.442 1.329 570 HZ2 LYS 71 1HZ LYS 71 0.651 18.822 0.904 571 HZ3 LYS 71 2HZ LYS 71 1.866 19.689 1.703 572 H ASN 72 HN ASN 72 -1.655 16.041 5.139 573 HA ASN 72 HA ASN 72 -3.816 17.578 4.075 574 HB2 ASN 72 2HB ASN 72 -3.158 14.640 3.758 575 HB3 ASN 72 1HB ASN 72 -4.322 15.537 2.786 576 HD21 ASN 72 1HD2 ASN 72 -1.811 14.121 2.075 577 HD22 ASN 72 2HD2 ASN 72 -0.832 15.291 1.262 578 H GLY 73 HN GLY 73 -3.451 15.671 6.830 579 HA2 GLY 73 2HA GLY 73 -5.045 15.560 8.550 580 HA3 GLY 73 1HA GLY 73 -6.307 15.910 7.377 581 H TRP 74 HN TRP 74 -4.092 13.516 6.406 582 HA TRP 74 HA TRP 74 -6.088 11.461 7.058 583 HB2 TRP 74 2HB TRP 74 -4.272 11.789 4.688 584 HB3 TRP 74 1HB TRP 74 -4.962 10.222 5.099 585 HD1 TRP 74 1HD TRP 74 -7.858 10.587 5.608 586 HE1 TRP 74 1HE TRP 74 -9.485 11.605 3.890 587 HE3 TRP 74 3HE TRP 74 -4.523 13.216 2.763 588 HZ2 TRP 74 2HZ TRP 74 -9.376 13.296 1.635 589 HZ3 TRP 74 3HZ TRP 74 -5.362 14.510 0.847 590 HH2 TRP 74 2HH TRP 74 -7.742 14.549 0.296 591 H VAL 75 HN VAL 75 -4.960 9.180 6.924 592 HA VAL 75 HA VAL 75 -2.588 9.314 8.663 593 HB VAL 75 HB VAL 75 -3.496 7.389 9.951 594 HG11 VAL 75 1HG1 VAL 75 -5.126 8.683 11.257 595 HG12 VAL 75 2HG1 VAL 75 -5.223 9.865 9.951 596 HG13 VAL 75 3HG1 VAL 75 -3.711 9.645 10.833 597 HG21 VAL 75 3HG2 VAL 75 -5.888 6.864 9.785 598 HG22 VAL 75 1HG2 VAL 75 -5.039 6.515 8.279 599 HG23 VAL 75 2HG2 VAL 75 -6.032 7.968 8.416 600 H MET 76 HN MET 76 -1.561 7.081 8.869 601 HA MET 76 HA MET 76 -1.163 6.097 6.174 602 HB2 MET 76 2HB MET 76 0.771 6.543 7.636 603 HB3 MET 76 1HB MET 76 0.197 5.327 8.767 604 HG2 MET 76 2HG MET 76 0.677 4.512 5.952 605 HG3 MET 76 1HG MET 76 2.069 4.803 6.990 606 HE1 MET 76 3HE MET 76 0.897 3.888 9.842 607 HE2 MET 76 1HE MET 76 2.514 3.516 9.248 608 HE3 MET 76 2HE MET 76 1.487 2.227 9.873 609 H LEU 77 HN LEU 77 -2.406 4.578 5.392 610 HA LEU 77 HA LEU 77 -4.043 2.949 7.113 611 HB2 LEU 77 2HB LEU 77 -3.745 2.918 4.109 612 HB3 LEU 77 1HB LEU 77 -4.988 2.083 5.020 613 HG LEU 77 HG LEU 77 -4.649 5.077 4.797 614 HD11 LEU 77 1HD1 LEU 77 -6.787 4.976 3.620 615 HD12 LEU 77 2HD1 LEU 77 -6.773 3.217 3.741 616 HD13 LEU 77 3HD1 LEU 77 -5.545 4.046 2.782 617 HD21 LEU 77 3HD2 LEU 77 -6.745 3.485 6.265 618 HD22 LEU 77 1HD2 LEU 77 -6.706 5.239 6.082 619 HD23 LEU 77 2HD2 LEU 77 -5.453 4.419 7.015 620 H GLY 78 HN GLY 78 -1.150 2.581 5.229 621 HA2 GLY 78 2HA GLY 78 -0.090 0.421 6.466 622 HA3 GLY 78 1HA GLY 78 -1.174 -0.293 5.277 623 H ASN 79 HN ASN 79 0.339 -1.163 3.936 624 HA ASN 79 HA ASN 79 1.862 0.738 2.343 625 HB2 ASN 79 2HB ASN 79 3.932 -0.581 2.492 626 HB3 ASN 79 1HB ASN 79 3.464 0.056 4.059 627 HD21 ASN 79 1HD2 ASN 79 4.586 -1.443 5.232 628 HD22 ASN 79 2HD2 ASN 79 4.149 -3.111 5.306 629 H PHE 80 HN PHE 80 3.044 -0.613 0.549 630 HA PHE 80 HA PHE 80 1.430 -2.913 -0.231 631 HB2 PHE 80 2HB PHE 80 1.024 -2.081 -2.464 632 HB3 PHE 80 1HB PHE 80 0.409 -0.908 -1.309 633 HD1 PHE 80 1HD PHE 80 1.748 1.176 -0.866 634 HD2 PHE 80 2HD PHE 80 2.649 -1.496 -4.053 635 HE1 PHE 80 1HE PHE 80 3.048 2.945 -1.974 636 HE2 PHE 80 2HE PHE 80 3.960 0.267 -5.163 637 HZ PHE 80 HZ PHE 80 4.159 2.491 -4.124 638 H HIS 81 HN HIS 81 2.472 -4.350 -1.588 639 HA HIS 81 HA HIS 81 4.937 -3.661 -2.862 640 HB2 HIS 81 2HB HIS 81 6.279 -5.503 -1.819 641 HB3 HIS 81 1HB HIS 81 5.947 -4.152 -0.749 642 HD1 HIS 81 1HD HIS 81 5.803 -7.770 -0.928 643 HD2 HIS 81 2HD HIS 81 3.843 -4.779 1.209 644 HE1 HIS 81 1HE HIS 81 4.759 -8.913 1.049 645 HE2 HIS 81 2HE HIS 81 3.901 -7.036 2.483 646 H SER 82 HN SER 82 5.298 -4.907 -4.625 647 HA SER 82 HA SER 82 3.155 -6.846 -5.155 648 HB2 SER 82 2HB SER 82 3.530 -6.151 -7.573 649 HB3 SER 82 1HB SER 82 2.833 -4.920 -6.519 650 HG SER 82 HG SER 82 5.466 -5.117 -7.517 651 H HIS 83 HN HIS 83 3.622 -8.608 -6.567 652 HA HIS 83 HA HIS 83 6.397 -9.515 -6.243 653 HB2 HIS 83 2HB HIS 83 3.772 -10.968 -6.427 654 HB3 HIS 83 1HB HIS 83 5.291 -11.804 -6.737 655 HD1 HIS 83 1HD HIS 83 5.091 -13.279 -4.633 656 HD2 HIS 83 2HD HIS 83 5.097 -9.204 -3.846 657 HE1 HIS 83 1HE HIS 83 5.436 -13.074 -2.150 658 HE2 HIS 83 2HE HIS 83 5.736 -10.596 -1.771 659 HA PRO 84 HA PRO 84 7.251 -9.133 -10.484 660 HB2 PRO 84 2HB PRO 84 8.832 -11.619 -10.321 661 HB3 PRO 84 1HB PRO 84 9.355 -9.976 -10.697 662 HG2 PRO 84 2HG PRO 84 9.956 -11.129 -8.357 663 HG3 PRO 84 1HG PRO 84 9.591 -9.397 -8.472 664 HD2 PRO 84 2HD PRO 84 7.855 -11.641 -7.523 665 HD3 PRO 84 1HD PRO 84 8.030 -9.997 -6.873 666 H ALA 85 HN ALA 85 6.917 -12.607 -9.728 667 HA ALA 85 HA ALA 85 4.907 -12.855 -11.826 668 HB1 ALA 85 1HB ALA 85 7.428 -14.511 -11.807 669 HB2 ALA 85 2HB ALA 85 7.028 -13.253 -12.977 670 HB3 ALA 85 3HB ALA 85 6.058 -14.725 -12.895 671 H THR 86 HN THR 86 5.400 -13.185 -8.809 672 HA THR 86 HA THR 86 4.527 -15.968 -8.517 673 HB THR 86 HB THR 86 5.066 -15.496 -6.041 674 HG1 THR 86 1HG THR 86 6.872 -13.788 -6.087 675 HG21 THR 86 3HG2 THR 86 7.297 -15.497 -8.080 676 HG22 THR 86 1HG2 THR 86 6.460 -16.920 -7.458 677 HG23 THR 86 2HG2 THR 86 7.458 -15.943 -6.382 678 HA PRO 87 HA PRO 87 0.434 -14.912 -7.417 679 HB2 PRO 87 2HB PRO 87 -0.040 -16.479 -5.219 680 HB3 PRO 87 1HB PRO 87 -0.025 -17.083 -6.879 681 HG2 PRO 87 2HG PRO 87 2.129 -17.188 -4.806 682 HG3 PRO 87 1HG PRO 87 1.617 -18.439 -5.955 683 HD2 PRO 87 2HD PRO 87 3.815 -16.954 -6.370 684 HD3 PRO 87 1HD PRO 87 2.776 -17.478 -7.709 685 H ALA 88 HN ALA 88 -0.974 -13.966 -5.804 686 HA ALA 88 HA ALA 88 0.415 -12.025 -4.206 687 HB1 ALA 88 1HB ALA 88 -1.576 -11.416 -5.493 688 HB2 ALA 88 2HB ALA 88 -1.783 -11.089 -3.772 689 HB3 ALA 88 3HB ALA 88 -2.546 -12.504 -4.499 690 H ARG 89 HN ARG 89 1.402 -13.081 -2.545 691 HA ARG 89 HA ARG 89 -0.357 -13.783 -0.334 692 HB2 ARG 89 2HB ARG 89 1.579 -15.646 -1.623 693 HB3 ARG 89 1HB ARG 89 1.493 -15.655 0.132 694 HG2 ARG 89 2HG ARG 89 -0.969 -16.028 -0.076 695 HG3 ARG 89 1HG ARG 89 -0.722 -16.237 -1.811 696 HD2 ARG 89 2HD ARG 89 0.702 -18.126 -1.447 697 HD3 ARG 89 1HD ARG 89 0.708 -17.846 0.293 698 HE ARG 89 HE ARG 89 -1.929 -18.272 -0.731 699 HH11 ARG 89 1HH1 ARG 89 0.996 -19.912 0.321 700 HH12 ARG 89 2HH1 ARG 89 0.163 -21.377 0.728 701 HH21 ARG 89 1HH2 ARG 89 -3.011 -20.188 -0.166 702 HH22 ARG 89 2HH2 ARG 89 -2.109 -21.534 0.478 703 HA PRO 90 HA PRO 90 2.556 -11.427 2.047 704 HB2 PRO 90 2HB PRO 90 2.654 -13.017 4.324 705 HB3 PRO 90 1HB PRO 90 1.445 -11.768 4.008 706 HG2 PRO 90 2HG PRO 90 1.264 -14.722 3.637 707 HG3 PRO 90 1HG PRO 90 0.028 -13.585 4.203 708 HD2 PRO 90 2HD PRO 90 -0.001 -14.573 1.709 709 HD3 PRO 90 1HD PRO 90 -0.507 -12.905 2.051 710 H SER 91 HN SER 91 4.672 -11.376 1.825 711 HA SER 91 HA SER 91 6.161 -13.660 1.017 712 HB2 SER 91 2HB SER 91 6.595 -11.288 0.294 713 HB3 SER 91 1HB SER 91 7.214 -10.957 1.906 714 HG SER 91 HG SER 91 8.770 -11.524 0.186 715 H ALA 92 HN ALA 92 7.945 -14.618 2.155 716 HA ALA 92 HA ALA 92 7.286 -15.277 4.820 717 HB1 ALA 92 1HB ALA 92 8.515 -16.810 3.368 718 HB2 ALA 92 2HB ALA 92 9.408 -16.502 4.857 719 HB3 ALA 92 3HB ALA 92 9.894 -15.708 3.359 720 H GLU 93 HN GLU 93 9.851 -13.233 3.475 721 HA GLU 93 HA GLU 93 10.873 -12.422 5.992 722 HB2 GLU 93 2HB GLU 93 11.895 -12.233 3.579 723 HB3 GLU 93 1HB GLU 93 11.063 -10.683 3.561 724 HG2 GLU 93 2HG GLU 93 13.184 -10.137 4.299 725 HG3 GLU 93 1HG GLU 93 12.262 -10.258 5.797 726 H ASP 94 HN ASP 94 8.369 -11.256 3.865 727 HA ASP 94 HA ASP 94 7.907 -8.731 4.994 728 HB2 ASP 94 2HB ASP 94 6.964 -9.226 2.868 729 HB3 ASP 94 1HB ASP 94 6.146 -10.655 3.480 730 H LYS 95 HN LYS 95 6.390 -11.883 5.694 731 HA LYS 95 HA LYS 95 4.719 -10.928 7.759 732 HB2 LYS 95 2HB LYS 95 4.570 -13.179 6.548 733 HB3 LYS 95 1HB LYS 95 5.853 -13.725 7.616 734 HG2 LYS 95 2HG LYS 95 3.400 -12.527 8.814 735 HG3 LYS 95 1HG LYS 95 3.338 -14.176 8.194 736 HD2 LYS 95 2HD LYS 95 4.714 -14.986 9.821 737 HD3 LYS 95 1HD LYS 95 5.617 -13.476 9.958 738 HE2 LYS 95 2HE LYS 95 4.309 -13.931 11.978 739 HE3 LYS 95 1HE LYS 95 3.769 -12.460 11.174 740 HZ1 LYS 95 3HZ LYS 95 2.440 -15.122 11.089 741 HZ2 LYS 95 1HZ LYS 95 1.949 -13.772 10.192 742 HZ3 LYS 95 2HZ LYS 95 1.881 -13.729 11.877 743 H ARG 96 HN ARG 96 8.071 -11.896 7.677 744 HA ARG 96 HA ARG 96 8.432 -12.054 10.499 745 HB2 ARG 96 2HB ARG 96 10.254 -11.954 8.137 746 HB3 ARG 96 1HB ARG 96 10.924 -11.650 9.734 747 HG2 ARG 96 2HG ARG 96 9.256 -14.077 9.223 748 HG3 ARG 96 1HG ARG 96 10.962 -14.043 8.780 749 HD2 ARG 96 2HD ARG 96 10.552 -15.011 11.028 750 HD3 ARG 96 1HD ARG 96 11.605 -13.600 11.055 751 HE ARG 96 HE ARG 96 9.540 -12.341 11.746 752 HH11 ARG 96 1HH1 ARG 96 9.921 -15.755 12.413 753 HH12 ARG 96 2HH1 ARG 96 8.909 -15.718 13.831 754 HH21 ARG 96 1HH2 ARG 96 8.212 -12.285 13.604 755 HH22 ARG 96 2HH2 ARG 96 7.938 -13.737 14.511 756 H LEU 97 HN LEU 97 8.830 -9.484 8.112 757 HA LEU 97 HA LEU 97 9.920 -7.655 10.061 758 HB2 LEU 97 2HB LEU 97 9.027 -7.207 7.213 759 HB3 LEU 97 1HB LEU 97 9.886 -6.044 8.202 760 HG LEU 97 HG LEU 97 10.953 -8.700 7.251 761 HD11 LEU 97 1HD1 LEU 97 11.698 -5.880 6.499 762 HD12 LEU 97 2HD1 LEU 97 10.820 -7.027 5.489 763 HD13 LEU 97 3HD1 LEU 97 12.497 -7.346 5.934 764 HD21 LEU 97 3HD2 LEU 97 11.819 -8.163 9.463 765 HD22 LEU 97 1HD2 LEU 97 12.283 -6.555 8.907 766 HD23 LEU 97 2HD2 LEU 97 13.079 -7.981 8.241 767 H ALA 98 HN ALA 98 6.833 -8.653 9.146 768 HA ALA 98 HA ALA 98 5.457 -6.193 9.641 769 HB1 ALA 98 1HB ALA 98 4.502 -7.921 8.189 770 HB2 ALA 98 2HB ALA 98 3.420 -7.525 9.523 771 HB3 ALA 98 3HB ALA 98 4.372 -9.009 9.571 772 H PHE 99 HN PHE 99 6.561 -5.733 11.679 773 HA PHE 99 HA PHE 99 5.660 -7.257 13.983 774 HB2 PHE 99 2HB PHE 99 7.422 -4.809 13.762 775 HB3 PHE 99 1HB PHE 99 7.022 -5.611 15.278 776 HD1 PHE 99 2HD PHE 99 7.597 -8.135 15.422 777 HD2 PHE 99 1HD PHE 99 9.303 -5.460 12.587 778 HE1 PHE 99 2HE PHE 99 9.485 -9.681 15.110 779 HE2 PHE 99 1HE PHE 99 11.196 -7.000 12.269 780 HZ PHE 99 HZ PHE 99 11.290 -9.113 13.530 781 H ASP 100 HN ASP 100 4.550 -4.721 12.095 782 HA ASP 100 HA ASP 100 3.130 -3.284 14.112 783 HB2 ASP 100 2HB ASP 100 2.929 -3.368 11.104 784 HB3 ASP 100 1HB ASP 100 1.821 -2.414 12.089 785 HA PRO 101 HA PRO 101 0.063 -6.014 15.199 786 HB2 PRO 101 2HB PRO 101 -2.153 -4.391 15.442 787 HB3 PRO 101 1HB PRO 101 -0.863 -4.532 16.638 788 HG2 PRO 101 2HG PRO 101 -1.274 -2.460 14.523 789 HG3 PRO 101 1HG PRO 101 -0.725 -2.262 16.199 790 HD2 PRO 101 2HD PRO 101 0.996 -2.201 14.148 791 HD3 PRO 101 1HD PRO 101 1.434 -2.941 15.703 792 H SER 102 HN SER 102 -1.553 -3.798 12.871 793 HA SER 102 HA SER 102 -2.430 -5.966 11.239 794 HB2 SER 102 2HB SER 102 -4.438 -4.640 13.078 795 HB3 SER 102 1HB SER 102 -4.861 -5.655 11.703 796 HG SER 102 HG SER 102 -3.065 -6.945 13.200 797 H LEU 103 HN LEU 103 -1.066 -3.956 10.377 798 HA LEU 103 HA LEU 103 -2.750 -1.810 9.418 799 HB2 LEU 103 2HB LEU 103 0.107 -2.604 8.945 800 HB3 LEU 103 1HB LEU 103 -0.645 -1.281 8.068 801 HG LEU 103 HG LEU 103 -0.307 -1.437 11.067 802 HD11 LEU 103 1HD1 LEU 103 1.812 -1.124 9.894 803 HD12 LEU 103 2HD1 LEU 103 1.335 0.334 10.763 804 HD13 LEU 103 3HD1 LEU 103 1.126 0.242 9.015 805 HD21 LEU 103 3HD2 LEU 103 -1.319 0.803 9.320 806 HD22 LEU 103 1HD2 LEU 103 -1.068 0.879 11.064 807 HD23 LEU 103 2HD2 LEU 103 -2.302 -0.190 10.396 808 H SER 104 HN SER 104 -3.055 -1.401 7.096 809 HA SER 104 HA SER 104 -3.876 -3.827 5.783 810 HB2 SER 104 2HB SER 104 -4.029 -0.949 4.844 811 HB3 SER 104 1HB SER 104 -4.842 -2.324 4.094 812 HG SER 104 HG SER 104 -6.248 -2.412 5.710 813 H TYR 105 HN TYR 105 -2.288 -5.011 4.921 814 HA TYR 105 HA TYR 105 -0.173 -3.675 3.398 815 HB2 TYR 105 2HB TYR 105 -0.344 -6.622 4.041 816 HB3 TYR 105 1HB TYR 105 1.076 -5.700 3.560 817 HD1 TYR 105 1HD TYR 105 1.674 -3.700 5.235 818 HD2 TYR 105 2HD TYR 105 -0.573 -7.162 6.261 819 HE1 TYR 105 1HE TYR 105 2.237 -3.357 7.606 820 HE2 TYR 105 2HE TYR 105 -0.016 -6.831 8.632 821 HH TYR 105 HH TYR 105 1.708 -5.722 9.987 822 H LEU 106 HN LEU 106 -0.431 -3.490 1.267 823 HA LEU 106 HA LEU 106 -2.323 -5.291 -0.063 824 HB2 LEU 106 2HB LEU 106 -1.245 -2.584 -0.764 825 HB3 LEU 106 1HB LEU 106 -1.941 -3.607 -2.003 826 HG LEU 106 HG LEU 106 -4.051 -3.692 -0.657 827 HD11 LEU 106 1HD1 LEU 106 -3.168 -3.143 1.525 828 HD12 LEU 106 2HD1 LEU 106 -4.389 -1.963 1.046 829 HD13 LEU 106 3HD1 LEU 106 -2.678 -1.547 0.951 830 HD21 LEU 106 3HD2 LEU 106 -3.099 -0.970 -1.522 831 HD22 LEU 106 1HD2 LEU 106 -4.780 -1.461 -1.310 832 HD23 LEU 106 2HD2 LEU 106 -3.795 -2.212 -2.567 833 H ILE 107 HN ILE 107 -1.753 -6.697 -1.583 834 HA ILE 107 HA ILE 107 1.043 -6.689 -2.503 835 HB ILE 107 HB ILE 107 -0.540 -9.128 -1.657 836 HG12 ILE 107 2HG1 ILE 107 1.927 -7.876 -0.429 837 HG13 ILE 107 1HG1 ILE 107 0.298 -7.738 0.220 838 HG21 ILE 107 1HG2 ILE 107 2.278 -8.901 -2.719 839 HG22 ILE 107 2HG2 ILE 107 0.902 -9.623 -3.553 840 HG23 ILE 107 3HG2 ILE 107 1.537 -10.371 -2.088 841 HD11 ILE 107 3HD1 ILE 107 0.229 -10.130 0.606 842 HD12 ILE 107 1HD1 ILE 107 1.627 -9.408 1.401 843 HD13 ILE 107 2HD1 ILE 107 1.834 -10.305 -0.104 844 H ILE 108 HN ILE 108 1.122 -6.558 -4.627 845 HA ILE 108 HA ILE 108 -1.199 -7.426 -6.208 846 HB ILE 108 HB ILE 108 1.072 -5.604 -7.038 847 HG12 ILE 108 2HG1 ILE 108 -1.774 -4.897 -6.273 848 HG13 ILE 108 1HG1 ILE 108 -0.360 -4.619 -5.264 849 HG21 ILE 108 1HG2 ILE 108 0.030 -6.800 -8.903 850 HG22 ILE 108 2HG2 ILE 108 -0.329 -5.076 -8.964 851 HG23 ILE 108 3HG2 ILE 108 -1.555 -6.211 -8.399 852 HD11 ILE 108 3HD1 ILE 108 -1.036 -2.580 -6.367 853 HD12 ILE 108 1HD1 ILE 108 -0.909 -3.364 -7.941 854 HD13 ILE 108 2HD1 ILE 108 0.538 -3.103 -6.966 855 H SER 109 HN SER 109 -1.007 -9.023 -7.684 856 HA SER 109 HA SER 109 1.613 -10.333 -7.892 857 HB2 SER 109 2HB SER 109 -0.303 -11.702 -7.105 858 HB3 SER 109 1HB SER 109 -1.133 -11.387 -8.628 859 HG SER 109 HG SER 109 1.342 -12.764 -8.283 860 H LEU 110 HN LEU 110 2.772 -9.816 -9.611 861 HA LEU 110 HA LEU 110 1.439 -8.991 -12.071 862 HB2 LEU 110 2HB LEU 110 4.277 -8.842 -11.104 863 HB3 LEU 110 1HB LEU 110 3.895 -8.628 -12.800 864 HG LEU 110 HG LEU 110 4.118 -6.468 -11.805 865 HD11 LEU 110 1HD1 LEU 110 2.379 -6.657 -13.468 866 HD12 LEU 110 2HD1 LEU 110 1.903 -5.503 -12.223 867 HD13 LEU 110 3HD1 LEU 110 1.213 -7.126 -12.231 868 HD21 LEU 110 3HD2 LEU 110 3.765 -7.081 -9.473 869 HD22 LEU 110 1HD2 LEU 110 2.049 -7.327 -9.790 870 HD23 LEU 110 2HD2 LEU 110 2.750 -5.714 -9.931 871 H ALA 111 HN ALA 111 1.607 -11.801 -10.975 872 HA ALA 111 HA ALA 111 3.254 -13.438 -12.507 873 HB1 ALA 111 1HB ALA 111 0.440 -14.009 -11.565 874 HB2 ALA 111 2HB ALA 111 1.912 -14.248 -10.623 875 HB3 ALA 111 3HB ALA 111 1.625 -15.212 -12.072 876 H GLU 112 HN GLU 112 0.092 -12.078 -13.208 877 HA GLU 112 HA GLU 112 0.512 -12.666 -16.058 878 HB2 GLU 112 2HB GLU 112 -1.520 -13.737 -15.129 879 HB3 GLU 112 1HB GLU 112 -2.100 -12.164 -14.606 880 HG2 GLU 112 2HG GLU 112 -3.222 -12.820 -16.628 881 HG3 GLU 112 1HG GLU 112 -2.183 -11.434 -16.950 882 HA PRO 113 HA PRO 113 1.337 -8.230 -15.284 883 HB2 PRO 113 2HB PRO 113 2.609 -8.386 -17.940 884 HB3 PRO 113 1HB PRO 113 3.287 -7.849 -16.401 885 HG2 PRO 113 2HG PRO 113 3.996 -10.185 -17.509 886 HG3 PRO 113 1HG PRO 113 3.857 -9.989 -15.751 887 HD2 PRO 113 2HD PRO 113 1.957 -11.272 -17.675 888 HD3 PRO 113 1HD PRO 113 2.422 -11.785 -16.040 889 H GLN 114 HN GLN 114 -0.318 -9.776 -17.805 890 HA GLN 114 HA GLN 114 -1.177 -7.452 -19.222 891 HB2 GLN 114 2HB GLN 114 -2.431 -10.201 -19.072 892 HB3 GLN 114 1HB GLN 114 -2.818 -8.959 -20.254 893 HG2 GLN 114 2HG GLN 114 -0.562 -9.088 -21.153 894 HG3 GLN 114 1HG GLN 114 -0.141 -10.300 -19.944 895 HE21 GLN 114 1HE2 GLN 114 -0.982 -12.372 -20.114 896 HE22 GLN 114 2HE2 GLN 114 -1.680 -12.960 -21.598 897 H LYS 115 HN LYS 115 -2.300 -9.296 -16.472 898 HA LYS 115 HA LYS 115 -4.276 -7.249 -15.856 899 HB2 LYS 115 2HB LYS 115 -4.907 -10.195 -16.108 900 HB3 LYS 115 1HB LYS 115 -5.953 -9.038 -15.306 901 HG2 LYS 115 2HG LYS 115 -5.138 -8.916 -18.201 902 HG3 LYS 115 1HG LYS 115 -6.674 -9.544 -17.599 903 HD2 LYS 115 2HD LYS 115 -5.690 -6.732 -17.124 904 HD3 LYS 115 1HD LYS 115 -6.777 -7.192 -18.435 905 HE2 LYS 115 2HE LYS 115 -7.373 -7.706 -15.529 906 HE3 LYS 115 1HE LYS 115 -7.882 -6.248 -16.380 907 HZ1 LYS 115 3HZ LYS 115 -8.634 -9.029 -17.116 908 HZ2 LYS 115 1HZ LYS 115 -9.128 -7.622 -17.921 909 HZ3 LYS 115 2HZ LYS 115 -9.632 -7.905 -16.331 910 HA PRO 116 HA PRO 116 -1.652 -8.480 -12.277 911 HB2 PRO 116 2HB PRO 116 -2.301 -5.733 -11.429 912 HB3 PRO 116 1HB PRO 116 -0.726 -6.509 -11.618 913 HG2 PRO 116 2HG PRO 116 -1.577 -4.634 -13.335 914 HG3 PRO 116 1HG PRO 116 -0.601 -6.014 -13.873 915 HD2 PRO 116 2HD PRO 116 -3.557 -5.575 -14.098 916 HD3 PRO 116 1HD PRO 116 -2.425 -6.259 -15.286 917 H VAL 117 HN VAL 117 -2.534 -9.575 -10.664 918 HA VAL 117 HA VAL 117 -5.237 -8.944 -9.770 919 HB VAL 117 HB VAL 117 -3.438 -11.242 -8.961 920 HG11 VAL 117 1HG1 VAL 117 -6.390 -10.818 -8.523 921 HG12 VAL 117 2HG1 VAL 117 -5.131 -10.770 -7.290 922 HG13 VAL 117 3HG1 VAL 117 -5.494 -12.283 -8.122 923 HG21 VAL 117 3HG2 VAL 117 -4.828 -12.611 -10.466 924 HG22 VAL 117 1HG2 VAL 117 -3.946 -11.351 -11.329 925 HG23 VAL 117 2HG2 VAL 117 -5.665 -11.149 -10.994 926 H CYS 118 HN CYS 118 -5.650 -7.836 -7.959 927 HA CYS 118 HA CYS 118 -3.399 -7.319 -6.138 928 HB2 CYS 118 2HB CYS 118 -4.616 -5.227 -5.559 929 HB3 CYS 118 1HB CYS 118 -4.158 -5.312 -7.257 930 HG CYS 118 HG CYS 118 -7.286 -6.247 -6.276 931 H LYS 119 HN LYS 119 -3.556 -7.907 -4.058 932 HA LYS 119 HA LYS 119 -6.226 -8.202 -2.875 933 HB2 LYS 119 2HB LYS 119 -3.951 -10.143 -2.437 934 HB3 LYS 119 1HB LYS 119 -5.484 -10.165 -1.594 935 HG2 LYS 119 2HG LYS 119 -6.625 -10.598 -3.738 936 HG3 LYS 119 1HG LYS 119 -5.046 -10.685 -4.521 937 HD2 LYS 119 2HD LYS 119 -4.419 -12.561 -3.118 938 HD3 LYS 119 1HD LYS 119 -5.938 -12.437 -2.231 939 HE2 LYS 119 2HE LYS 119 -7.153 -12.924 -4.329 940 HE3 LYS 119 1HE LYS 119 -5.605 -13.146 -5.145 941 HZ1 LYS 119 3HZ LYS 119 -6.612 -14.748 -2.848 942 HZ2 LYS 119 1HZ LYS 119 -5.104 -14.953 -3.603 943 HZ3 LYS 119 2HZ LYS 119 -6.529 -15.264 -4.462 944 H SER 120 HN SER 120 -6.144 -8.083 -0.502 945 HA SER 120 HA SER 120 -3.740 -6.723 0.500 946 HB2 SER 120 2HB SER 120 -5.620 -5.113 0.136 947 HB3 SER 120 1HB SER 120 -6.585 -6.038 1.284 948 HG SER 120 HG SER 120 -4.049 -5.156 2.078 949 H PHE 121 HN PHE 121 -3.013 -7.417 2.464 950 HA PHE 121 HA PHE 121 -4.600 -9.535 3.750 951 HB2 PHE 121 2HB PHE 121 -1.633 -9.506 3.178 952 HB3 PHE 121 1HB PHE 121 -2.404 -10.655 4.265 953 HD1 PHE 121 2HD PHE 121 -4.093 -12.250 3.354 954 HD2 PHE 121 1HD PHE 121 -1.670 -9.814 0.843 955 HE1 PHE 121 2HE PHE 121 -4.595 -13.724 1.453 956 HE2 PHE 121 1HE PHE 121 -2.173 -11.284 -1.070 957 HZ PHE 121 HZ PHE 121 -3.634 -13.240 -0.766 958 H LEU 122 HN LEU 122 -4.718 -9.514 5.898 959 HA LEU 122 HA LEU 122 -3.232 -7.429 7.348 960 HB2 LEU 122 2HB LEU 122 -5.700 -8.974 8.170 961 HB3 LEU 122 1HB LEU 122 -4.942 -7.692 9.093 962 HG LEU 122 HG LEU 122 -6.249 -7.345 6.394 963 HD11 LEU 122 1HD1 LEU 122 -7.985 -6.149 7.631 964 HD12 LEU 122 2HD1 LEU 122 -7.190 -6.566 9.148 965 HD13 LEU 122 3HD1 LEU 122 -7.877 -7.836 8.136 966 HD21 LEU 122 3HD2 LEU 122 -6.001 -4.951 6.842 967 HD22 LEU 122 1HD2 LEU 122 -4.436 -5.762 6.757 968 HD23 LEU 122 2HD2 LEU 122 -5.118 -5.323 8.322 969 H ILE 123 HN ILE 123 -1.449 -8.213 8.286 970 HA ILE 123 HA ILE 123 -1.208 -11.065 8.702 971 HB ILE 123 HB ILE 123 0.821 -8.856 9.041 972 HG12 ILE 123 2HG1 ILE 123 0.494 -10.944 6.873 973 HG13 ILE 123 1HG1 ILE 123 0.081 -9.240 6.715 974 HG21 ILE 123 1HG2 ILE 123 2.486 -10.665 9.151 975 HG22 ILE 123 2HG2 ILE 123 1.179 -11.849 9.163 976 HG23 ILE 123 3HG2 ILE 123 1.354 -10.716 10.503 977 HD11 ILE 123 3HD1 ILE 123 2.831 -10.381 7.146 978 HD12 ILE 123 1HD1 ILE 123 2.445 -8.662 7.067 979 HD13 ILE 123 2HD1 ILE 123 2.194 -9.689 5.655 980 H LYS 124 HN LYS 124 -1.783 -11.969 10.500 981 HA LYS 124 HA LYS 124 -1.706 -10.463 13.021 982 HB2 LYS 124 2HB LYS 124 -3.186 -12.991 12.245 983 HB3 LYS 124 1HB LYS 124 -3.187 -12.303 13.861 984 HG2 LYS 124 2HG LYS 124 -4.404 -10.393 13.140 985 HG3 LYS 124 1HG LYS 124 -4.183 -10.821 11.438 986 HD2 LYS 124 2HD LYS 124 -5.553 -12.795 11.715 987 HD3 LYS 124 1HD LYS 124 -5.683 -12.503 13.447 988 HE2 LYS 124 2HE LYS 124 -6.662 -10.522 11.411 989 HE3 LYS 124 1HE LYS 124 -7.669 -11.847 11.985 990 HZ1 LYS 124 3HZ LYS 124 -8.151 -9.927 13.278 991 HZ2 LYS 124 1HZ LYS 124 -6.512 -9.648 13.619 992 HZ3 LYS 124 2HZ LYS 124 -7.301 -11.003 14.270 993 H LYS 125 HN LYS 125 -1.490 -12.247 14.894 994 HA LYS 125 HA LYS 125 1.099 -13.463 14.685 995 HB2 LYS 125 2HB LYS 125 0.322 -12.566 16.800 996 HB3 LYS 125 1HB LYS 125 -1.086 -13.599 16.773 997 HG2 LYS 125 2HG LYS 125 1.518 -14.981 16.699 998 HG3 LYS 125 1HG LYS 125 1.130 -14.129 18.194 999 HD2 LYS 125 2HD LYS 125 -0.654 -16.164 16.847 1000 HD3 LYS 125 1HD LYS 125 0.403 -16.498 18.219 1001 HE2 LYS 125 2HE LYS 125 -0.822 -14.943 19.599 1002 HE3 LYS 125 1HE LYS 125 -1.814 -14.453 18.226 1003 HZ1 LYS 125 3HZ LYS 125 -2.885 -16.060 19.772 1004 HZ2 LYS 125 1HZ LYS 125 -1.748 -17.225 19.296 1005 HZ3 LYS 125 2HZ LYS 125 -2.839 -16.584 18.162 1006 H ASP 126 HN ASP 126 -2.163 -14.638 15.156 1007 HA ASP 126 HA ASP 126 -1.692 -17.379 15.038 1008 HB2 ASP 126 2HB ASP 126 -4.202 -15.957 14.131 1009 HB3 ASP 126 1HB ASP 126 -4.079 -17.621 14.692 1010 H GLY 127 HN GLY 127 -2.391 -15.096 12.443 1011 HA2 GLY 127 2HA GLY 127 -1.163 -16.657 10.449 1012 HA3 GLY 127 1HA GLY 127 -2.899 -16.926 10.395 1013 H VAL 128 HN VAL 128 -3.356 -15.919 8.508 1014 HA VAL 128 HA VAL 128 -2.905 -13.011 8.487 1015 HB VAL 128 HB VAL 128 -1.425 -14.145 6.864 1016 HG11 VAL 128 1HG1 VAL 128 -2.782 -16.063 6.305 1017 HG12 VAL 128 2HG1 VAL 128 -2.369 -15.161 4.847 1018 HG13 VAL 128 3HG1 VAL 128 -3.983 -15.020 5.542 1019 HG21 VAL 128 3HG2 VAL 128 -1.998 -12.743 4.923 1020 HG22 VAL 128 1HG2 VAL 128 -2.130 -11.859 6.443 1021 HG23 VAL 128 2HG2 VAL 128 -3.584 -12.434 5.630 1022 H ASP 129 HN ASP 129 -4.643 -11.764 7.972 1023 HA ASP 129 HA ASP 129 -7.152 -13.183 7.362 1024 HB2 ASP 129 2HB ASP 129 -7.014 -11.897 9.544 1025 HB3 ASP 129 1HB ASP 129 -6.893 -10.426 8.581 1026 H GLU 130 HN GLU 130 -8.605 -12.150 5.843 1027 HA GLU 130 HA GLU 130 -7.053 -10.871 3.735 1028 HB2 GLU 130 2HB GLU 130 -9.141 -11.467 2.383 1029 HB3 GLU 130 1HB GLU 130 -8.110 -12.782 2.922 1030 HG2 GLU 130 2HG GLU 130 -9.646 -13.221 4.770 1031 HG3 GLU 130 1HG GLU 130 -10.675 -11.896 4.229 1032 H GLU 131 HN GLU 131 -7.319 -8.841 3.145 1033 HA GLU 131 HA GLU 131 -9.568 -7.304 4.249 1034 HB2 GLU 131 2HB GLU 131 -7.362 -6.378 4.701 1035 HB3 GLU 131 1HB GLU 131 -6.954 -6.440 2.996 1036 HG2 GLU 131 2HG GLU 131 -7.441 -4.214 3.335 1037 HG3 GLU 131 1HG GLU 131 -8.943 -4.849 2.674 1038 H GLU 132 HN GLU 132 -11.181 -6.689 2.938 1039 HA GLU 132 HA GLU 132 -11.115 -7.534 0.175 1040 HB2 GLU 132 2HB GLU 132 -13.136 -7.084 2.123 1041 HB3 GLU 132 1HB GLU 132 -13.470 -6.029 0.757 1042 HG2 GLU 132 2HG GLU 132 -13.033 -9.000 0.597 1043 HG3 GLU 132 1HG GLU 132 -14.600 -8.194 0.580 1044 H ILE 133 HN ILE 133 -11.074 -6.280 -1.604 1045 HA ILE 133 HA ILE 133 -10.434 -3.442 -1.153 1046 HB ILE 133 HB ILE 133 -9.599 -5.199 -3.466 1047 HG12 ILE 133 2HG1 ILE 133 -7.971 -4.109 -1.155 1048 HG13 ILE 133 1HG1 ILE 133 -8.469 -5.787 -1.345 1049 HG21 ILE 133 1HG2 ILE 133 -9.864 -2.879 -4.132 1050 HG22 ILE 133 2HG2 ILE 133 -8.154 -3.313 -4.091 1051 HG23 ILE 133 3HG2 ILE 133 -8.852 -2.358 -2.783 1052 HD11 ILE 133 3HD1 ILE 133 -7.160 -5.894 -3.433 1053 HD12 ILE 133 1HD1 ILE 133 -6.182 -5.553 -2.005 1054 HD13 ILE 133 2HD1 ILE 133 -6.593 -4.252 -3.123 1055 H ILE 134 HN ILE 134 -11.698 -1.942 -1.975 1056 HA ILE 134 HA ILE 134 -13.662 -2.708 -4.030 1057 HB ILE 134 HB ILE 134 -13.712 -0.292 -2.210 1058 HG12 ILE 134 2HG1 ILE 134 -14.007 -2.358 -0.926 1059 HG13 ILE 134 1HG1 ILE 134 -15.504 -1.440 -0.991 1060 HG21 ILE 134 1HG2 ILE 134 -16.032 -0.056 -2.972 1061 HG22 ILE 134 2HG2 ILE 134 -15.800 -1.419 -4.067 1062 HG23 ILE 134 3HG2 ILE 134 -14.884 0.069 -4.306 1063 HD11 ILE 134 3HD1 ILE 134 -14.837 -3.874 -2.624 1064 HD12 ILE 134 1HD1 ILE 134 -16.328 -2.939 -2.750 1065 HD13 ILE 134 2HD1 ILE 134 -15.946 -3.794 -1.255 1066 H LEU 135 HN LEU 135 -13.432 -1.850 -6.034 1067 HA LEU 135 HA LEU 135 -11.434 0.276 -6.381 1068 HB2 LEU 135 2HB LEU 135 -12.631 -1.611 -8.408 1069 HB3 LEU 135 1HB LEU 135 -11.431 -0.389 -8.755 1070 HG LEU 135 HG LEU 135 -11.070 -2.878 -7.100 1071 HD11 LEU 135 1HD1 LEU 135 -9.389 -3.416 -8.785 1072 HD12 LEU 135 2HD1 LEU 135 -9.773 -1.926 -9.647 1073 HD13 LEU 135 3HD1 LEU 135 -10.983 -3.203 -9.512 1074 HD21 LEU 135 3HD2 LEU 135 -8.761 -2.165 -6.766 1075 HD22 LEU 135 1HD2 LEU 135 -9.892 -1.034 -6.025 1076 HD23 LEU 135 2HD2 LEU 135 -9.114 -0.629 -7.556 1077 H LYS 136 HN LYS 136 -11.964 2.224 -7.166 1078 HA LYS 136 HA LYS 136 -14.536 2.628 -8.490 1079 HB2 LYS 136 2HB LYS 136 -13.806 3.656 -5.825 1080 HB3 LYS 136 1HB LYS 136 -14.459 4.858 -6.929 1081 HG2 LYS 136 2HG LYS 136 -15.800 2.268 -6.172 1082 HG3 LYS 136 1HG LYS 136 -16.191 3.862 -5.520 1083 HD2 LYS 136 2HD LYS 136 -16.706 4.612 -7.839 1084 HD3 LYS 136 1HD LYS 136 -16.460 2.951 -8.385 1085 HE2 LYS 136 2HE LYS 136 -18.819 3.373 -8.085 1086 HE3 LYS 136 1HE LYS 136 -18.261 2.219 -6.876 1087 HZ1 LYS 136 3HZ LYS 136 -18.223 3.949 -5.232 1088 HZ2 LYS 136 1HZ LYS 136 -19.753 3.921 -5.962 1089 HZ3 LYS 136 2HZ LYS 136 -18.638 5.130 -6.383 1090 H GLU 137 HN GLU 137 -14.685 4.734 -9.570 1091 HA GLU 137 HA GLU 137 -12.111 5.683 -10.528 1092 HB2 GLU 137 2HB GLU 137 -14.969 6.274 -11.276 1093 HB3 GLU 137 1HB GLU 137 -13.617 7.143 -11.963 1094 HG2 GLU 137 2HG GLU 137 -14.064 4.179 -12.177 1095 HG3 GLU 137 1HG GLU 137 -14.450 5.363 -13.423 1096 H GLU 138 HN GLU 138 -14.574 6.530 -8.382 1097 HA GLU 138 HA GLU 138 -13.872 9.358 -8.323 1098 HB2 GLU 138 2HB GLU 138 -15.992 9.428 -6.857 1099 HB3 GLU 138 1HB GLU 138 -16.173 9.117 -8.580 1100 HG2 GLU 138 2HG GLU 138 -16.325 6.713 -8.119 1101 HG3 GLU 138 1HG GLU 138 -16.182 7.045 -6.395 1102 H LEU 139 HN LEU 139 -13.022 10.365 -6.633 1103 HA LEU 139 HA LEU 139 -12.330 8.807 -4.244 1104 HB2 LEU 139 2HB LEU 139 -11.240 11.306 -5.496 1105 HB3 LEU 139 1HB LEU 139 -10.935 10.966 -3.805 1106 HG LEU 139 HG LEU 139 -10.189 9.067 -6.029 1107 HD11 LEU 139 1HD1 LEU 139 -8.973 11.170 -6.302 1108 HD12 LEU 139 2HD1 LEU 139 -7.904 9.883 -5.743 1109 HD13 LEU 139 3HD1 LEU 139 -8.477 11.106 -4.610 1110 HD21 LEU 139 3HD2 LEU 139 -9.412 9.249 -3.121 1111 HD22 LEU 139 1HD2 LEU 139 -8.731 8.114 -4.288 1112 HD23 LEU 139 2HD2 LEU 139 -10.440 8.020 -3.857 1113 H GLU 140 HN GLU 140 -12.017 10.775 -2.400 1114 HA GLU 140 HA GLU 140 -12.980 11.993 -0.832 1115 HB2 GLU 140 2HB GLU 140 -13.295 13.547 -2.674 1116 HB3 GLU 140 1HB GLU 140 -14.835 12.791 -3.055 1117 HG2 GLU 140 2HG GLU 140 -15.082 14.852 -1.846 1118 HG3 GLU 140 1HG GLU 140 -15.746 13.493 -0.959 1119 H HIS 141 HN HIS 141 -14.690 12.116 0.634 1120 HA HIS 141 HA HIS 141 -17.055 10.488 0.271 1121 HB2 HIS 141 2HB HIS 141 -14.750 9.458 1.696 1122 HB3 HIS 141 1HB HIS 141 -16.139 9.600 2.769 1123 HD1 HIS 141 1HD HIS 141 -17.854 7.781 2.639 1124 HD2 HIS 141 2HD HIS 141 -15.309 7.798 -0.656 1125 HE1 HIS 141 1HE HIS 141 -18.412 5.705 1.336 1126 HE2 HIS 141 2HE HIS 141 -16.998 5.837 -0.741 1127 H HIS 142 HN HIS 142 -15.026 12.419 2.429 1128 HA HIS 142 HA HIS 142 -16.994 14.298 2.995 1129 HB2 HIS 142 2HB HIS 142 -17.406 13.822 5.426 1130 HB3 HIS 142 1HB HIS 142 -18.197 12.723 4.311 1131 HD1 HIS 142 1HD HIS 142 -18.006 10.346 4.895 1132 HD2 HIS 142 2HD HIS 142 -14.941 12.580 6.593 1133 HE1 HIS 142 1HE HIS 142 -16.714 8.738 6.326 1134 HE2 HIS 142 2HE HIS 142 -15.040 10.167 7.547 1135 H HIS 143 HN HIS 143 -14.292 14.307 2.298 1136 HA HIS 143 HA HIS 143 -12.902 15.300 4.683 1137 HB2 HIS 143 2HB HIS 143 -11.702 13.759 3.174 1138 HB3 HIS 143 1HB HIS 143 -11.917 14.893 1.848 1139 HD1 HIS 143 1HD HIS 143 -10.115 16.587 1.521 1140 HD2 HIS 143 2HD HIS 143 -9.963 14.817 5.286 1141 HE1 HIS 143 1HE HIS 143 -7.974 17.393 2.568 1142 HE2 HIS 143 2HE HIS 143 -7.996 16.454 4.901 1143 H HIS 144 HN HIS 144 -14.941 16.453 2.375 1144 HA HIS 144 HA HIS 144 -15.627 18.515 1.741 1145 HB2 HIS 144 2HB HIS 144 -13.588 19.491 3.749 1146 HB3 HIS 144 1HB HIS 144 -14.697 20.543 2.878 1147 HD1 HIS 144 1HD HIS 144 -17.203 20.452 3.556 1148 HD2 HIS 144 2HD HIS 144 -14.699 18.051 5.852 1149 HE1 HIS 144 1HE HIS 144 -18.560 19.770 5.561 1150 HE2 HIS 144 2HE HIS 144 -17.084 18.174 6.841 1151 H HIS 145 HN HIS 145 -15.138 18.640 -0.336 1152 HA HIS 145 HA HIS 145 -12.363 19.323 -1.053 1153 HB2 HIS 145 2HB HIS 145 -12.709 18.128 -3.183 1154 HB3 HIS 145 1HB HIS 145 -12.904 17.072 -1.791 1155 HD1 HIS 145 1HD HIS 145 -14.407 17.756 -4.935 1156 HD2 HIS 145 2HD HIS 145 -15.890 16.873 -1.146 1157 HE1 HIS 145 1HE HIS 145 -16.748 16.907 -5.300 1158 HE2 HIS 145 2HE HIS 145 -17.592 16.285 -3.007 1159 H HIS 146 HN HIS 146 -13.625 21.494 -0.524 1160 HA HIS 146 HA HIS 146 -13.823 22.793 -3.072 1161 HB2 HIS 146 2HB HIS 146 -16.153 21.924 -2.710 1162 HB3 HIS 146 1HB HIS 146 -16.246 22.915 -1.258 1163 HD1 HIS 146 1HD HIS 146 -17.560 24.946 -1.696 1164 HD2 HIS 146 2HD HIS 146 -15.308 23.828 -5.012 1165 HE1 HIS 146 1HE HIS 146 -18.033 26.682 -3.461 1166 HE2 HIS 146 2HE HIS 146 -16.563 26.053 -5.415 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -14.023 -2.166 4.912 2 H2 MET 1 H2 MET 1 -12.640 -3.153 4.916 3 H3 MET 1 H3 MET 1 -14.168 -3.844 4.689 4 HA MET 1 HA MET 1 -13.036 -3.739 2.603 5 HB2 MET 1 2HB MET 1 -15.458 -3.337 2.593 6 HB3 MET 1 1HB MET 1 -15.183 -1.620 2.829 7 HG2 MET 1 2HG MET 1 -13.943 -1.632 0.642 8 HG3 MET 1 1HG MET 1 -14.535 -3.277 0.415 9 HE1 MET 1 2HE MET 1 -17.237 0.456 0.701 10 HE2 MET 1 3HE MET 1 -15.471 0.515 0.705 11 HE3 MET 1 1HE MET 1 -16.336 -0.186 2.071 12 H ILE 2 HN ILE 2 -11.570 -2.764 1.315 13 HA ILE 2 HA ILE 2 -10.721 -0.063 2.111 14 HB ILE 2 HB ILE 2 -8.945 -1.749 2.316 15 HG12 ILE 2 2HG1 ILE 2 -8.446 0.166 0.031 16 HG13 ILE 2 1HG1 ILE 2 -8.395 0.596 1.738 17 HG21 ILE 2 1HG2 ILE 2 -9.664 -3.301 0.592 18 HG22 ILE 2 2HG2 ILE 2 -7.986 -2.820 0.344 19 HG23 ILE 2 3HG2 ILE 2 -9.261 -2.122 -0.656 20 HD11 ILE 2 3HD1 ILE 2 -6.576 -1.356 0.342 21 HD12 ILE 2 1HD1 ILE 2 -6.524 -0.947 2.058 22 HD13 ILE 2 2HD1 ILE 2 -6.168 0.284 0.846 23 H THR 3 HN THR 3 -10.874 1.570 0.725 24 HA THR 3 HA THR 3 -11.860 0.935 -1.980 25 HB THR 3 HB THR 3 -12.601 3.397 -0.394 26 HG1 THR 3 1HG THR 3 -13.313 1.410 0.627 27 HG21 THR 3 3HG2 THR 3 -13.875 2.062 -2.791 28 HG22 THR 3 1HG2 THR 3 -12.896 3.527 -2.831 29 HG23 THR 3 2HG2 THR 3 -14.450 3.528 -1.995 30 H LEU 4 HN LEU 4 -10.609 1.635 -3.567 31 HA LEU 4 HA LEU 4 -9.243 4.184 -3.281 32 HB2 LEU 4 2HB LEU 4 -7.154 3.233 -4.293 33 HB3 LEU 4 1HB LEU 4 -7.469 2.774 -2.637 34 HG LEU 4 HG LEU 4 -8.522 0.632 -3.759 35 HD11 LEU 4 1HD1 LEU 4 -6.542 1.553 -5.837 36 HD12 LEU 4 2HD1 LEU 4 -8.285 1.403 -6.053 37 HD13 LEU 4 3HD1 LEU 4 -7.306 -0.036 -5.769 38 HD21 LEU 4 3HD2 LEU 4 -6.637 0.664 -2.207 39 HD22 LEU 4 1HD2 LEU 4 -5.550 1.083 -3.530 40 HD23 LEU 4 2HD2 LEU 4 -6.368 -0.479 -3.521 41 H THR 5 HN THR 5 -8.304 4.864 -5.454 42 HA THR 5 HA THR 5 -10.511 4.425 -7.317 43 HB THR 5 HB THR 5 -9.882 6.522 -8.349 44 HG1 THR 5 1HG THR 5 -8.083 7.609 -6.892 45 HG21 THR 5 3HG2 THR 5 -10.219 8.032 -6.444 46 HG22 THR 5 1HG2 THR 5 -9.860 6.705 -5.335 47 HG23 THR 5 2HG2 THR 5 -11.292 6.635 -6.366 48 H LYS 6 HN LYS 6 -9.967 4.630 -9.665 49 HA LYS 6 HA LYS 6 -8.230 2.658 -10.572 50 HB2 LYS 6 2HB LYS 6 -9.270 5.115 -11.999 51 HB3 LYS 6 1HB LYS 6 -8.536 3.730 -12.789 52 HG2 LYS 6 2HG LYS 6 -10.326 2.298 -12.087 53 HG3 LYS 6 1HG LYS 6 -11.012 3.580 -11.088 54 HD2 LYS 6 2HD LYS 6 -12.285 3.394 -13.125 55 HD3 LYS 6 1HD LYS 6 -11.395 4.915 -13.134 56 HE2 LYS 6 2HE LYS 6 -9.730 3.975 -14.617 57 HE3 LYS 6 1HE LYS 6 -10.502 2.393 -14.531 58 HZ1 LYS 6 3HZ LYS 6 -11.081 3.573 -16.567 59 HZ2 LYS 6 1HZ LYS 6 -11.746 4.848 -15.664 60 HZ3 LYS 6 2HZ LYS 6 -12.455 3.306 -15.610 61 H LYS 7 HN LYS 7 -7.786 6.139 -10.268 62 HA LYS 7 HA LYS 7 -5.253 6.455 -11.341 63 HB2 LYS 7 2HB LYS 7 -7.080 8.083 -10.220 64 HB3 LYS 7 1HB LYS 7 -5.965 7.959 -8.871 65 HG2 LYS 7 2HG LYS 7 -5.353 8.975 -11.633 66 HG3 LYS 7 1HG LYS 7 -5.483 9.913 -10.149 67 HD2 LYS 7 2HD LYS 7 -3.587 8.320 -9.319 68 HD3 LYS 7 1HD LYS 7 -3.316 8.063 -11.044 69 HE2 LYS 7 2HE LYS 7 -1.890 9.825 -10.556 70 HE3 LYS 7 1HE LYS 7 -3.321 10.646 -11.183 71 HZ1 LYS 7 3HZ LYS 7 -4.047 10.901 -8.817 72 HZ2 LYS 7 1HZ LYS 7 -2.653 11.778 -9.225 73 HZ3 LYS 7 2HZ LYS 7 -2.513 10.338 -8.345 74 H GLN 8 HN GLN 8 -6.172 5.695 -7.969 75 HA GLN 8 HA GLN 8 -3.568 5.651 -6.899 76 HB2 GLN 8 2HB GLN 8 -5.871 3.910 -5.984 77 HB3 GLN 8 1HB GLN 8 -4.501 4.448 -5.027 78 HG2 GLN 8 2HG GLN 8 -6.703 6.183 -6.115 79 HG3 GLN 8 1HG GLN 8 -6.508 5.669 -4.443 80 HE21 GLN 8 1HE2 GLN 8 -4.902 6.597 -3.192 81 HE22 GLN 8 2HE2 GLN 8 -4.106 8.062 -3.649 82 H MET 9 HN MET 9 -5.548 3.066 -8.305 83 HA MET 9 HA MET 9 -3.725 0.960 -7.943 84 HB2 MET 9 2HB MET 9 -6.065 0.601 -8.608 85 HB3 MET 9 1HB MET 9 -5.748 1.366 -10.158 86 HG2 MET 9 2HG MET 9 -5.798 -1.045 -10.376 87 HG3 MET 9 1HG MET 9 -4.190 -0.420 -10.727 88 HE1 MET 9 3HE MET 9 -5.907 -0.970 -7.206 89 HE2 MET 9 1HE MET 9 -5.341 -2.593 -6.819 90 HE3 MET 9 2HE MET 9 -6.444 -2.342 -8.173 91 H GLU 10 HN GLU 10 -4.169 3.244 -10.613 92 HA GLU 10 HA GLU 10 -2.162 2.285 -12.303 93 HB2 GLU 10 2HB GLU 10 -3.509 4.946 -11.905 94 HB3 GLU 10 1HB GLU 10 -2.288 4.721 -13.132 95 HG2 GLU 10 2HG GLU 10 -4.767 3.047 -12.936 96 HG3 GLU 10 1HG GLU 10 -4.642 4.503 -13.922 97 H GLU 11 HN GLU 11 -2.082 4.657 -9.672 98 HA GLU 11 HA GLU 11 0.578 5.496 -9.993 99 HB2 GLU 11 2HB GLU 11 -1.446 5.566 -7.803 100 HB3 GLU 11 1HB GLU 11 0.210 5.945 -7.403 101 HG2 GLU 11 2HG GLU 11 0.185 7.674 -9.192 102 HG3 GLU 11 1HG GLU 11 -1.530 7.338 -9.415 103 H MET 12 HN MET 12 -0.836 2.902 -8.034 104 HA MET 12 HA MET 12 1.651 2.064 -6.926 105 HB2 MET 12 2HB MET 12 -0.981 0.604 -7.217 106 HB3 MET 12 1HB MET 12 0.400 -0.027 -6.333 107 HG2 MET 12 2HG MET 12 0.303 1.913 -4.830 108 HG3 MET 12 1HG MET 12 -1.111 2.499 -5.703 109 HE1 MET 12 3HE MET 12 -3.414 1.161 -5.813 110 HE2 MET 12 1HE MET 12 -3.724 -0.336 -4.929 111 HE3 MET 12 2HE MET 12 -2.598 -0.328 -6.285 112 H LEU 13 HN LEU 13 -0.302 0.948 -9.662 113 HA LEU 13 HA LEU 13 1.270 -1.268 -10.357 114 HB2 LEU 13 2HB LEU 13 -0.700 0.424 -11.842 115 HB3 LEU 13 1HB LEU 13 0.206 -0.803 -12.697 116 HG LEU 13 HG LEU 13 -1.694 -1.229 -10.394 117 HD11 LEU 13 1HD1 LEU 13 -1.786 -2.095 -13.280 118 HD12 LEU 13 2HD1 LEU 13 -2.783 -0.845 -12.536 119 HD13 LEU 13 3HD1 LEU 13 -2.963 -2.527 -12.039 120 HD21 LEU 13 3HD2 LEU 13 0.202 -2.738 -10.174 121 HD22 LEU 13 1HD2 LEU 13 0.019 -3.236 -11.857 122 HD23 LEU 13 2HD2 LEU 13 -1.237 -3.621 -10.681 123 H ALA 14 HN ALA 14 1.436 2.099 -11.462 124 HA ALA 14 HA ALA 14 3.429 1.729 -13.410 125 HB1 ALA 14 1HB ALA 14 3.848 4.127 -13.212 126 HB2 ALA 14 2HB ALA 14 2.930 4.173 -11.706 127 HB3 ALA 14 3HB ALA 14 2.116 3.792 -13.224 128 H HIS 15 HN HIS 15 3.648 2.531 -9.969 129 HA HIS 15 HA HIS 15 6.464 2.728 -9.853 130 HB2 HIS 15 2HB HIS 15 4.815 3.590 -8.149 131 HB3 HIS 15 1HB HIS 15 4.608 1.936 -7.603 132 HD1 HIS 15 1HD HIS 15 7.571 4.304 -8.116 133 HD2 HIS 15 2HD HIS 15 6.182 1.377 -5.501 134 HE1 HIS 15 1HE HIS 15 9.254 4.202 -6.254 135 HE2 HIS 15 2HE HIS 15 8.262 2.605 -4.571 136 H ALA 16 HN ALA 16 4.243 0.043 -9.528 137 HA ALA 16 HA ALA 16 6.108 -1.848 -8.534 138 HB1 ALA 16 1HB ALA 16 3.682 -2.120 -8.313 139 HB2 ALA 16 2HB ALA 16 4.434 -3.520 -9.078 140 HB3 ALA 16 3HB ALA 16 3.554 -2.348 -10.059 141 H ARG 17 HN ARG 17 4.840 -1.305 -11.827 142 HA ARG 17 HA ARG 17 6.380 -3.349 -13.039 143 HB2 ARG 17 2HB ARG 17 5.190 -0.849 -14.252 144 HB3 ARG 17 1HB ARG 17 5.853 -2.191 -15.172 145 HG2 ARG 17 2HG ARG 17 4.145 -3.672 -14.269 146 HG3 ARG 17 1HG ARG 17 3.500 -2.348 -13.298 147 HD2 ARG 17 2HD ARG 17 3.594 -2.492 -16.309 148 HD3 ARG 17 1HD ARG 17 2.161 -2.641 -15.293 149 HE ARG 17 HE ARG 17 3.769 -0.161 -15.414 150 HH11 ARG 17 1HH1 ARG 17 0.674 -1.821 -15.506 151 HH12 ARG 17 2HH1 ARG 17 -0.254 -0.355 -15.568 152 HH21 ARG 17 1HH2 ARG 17 2.549 1.758 -15.498 153 HH22 ARG 17 2HH2 ARG 17 0.811 1.682 -15.504 154 H GLN 18 HN GLN 18 7.001 0.007 -12.345 155 HA GLN 18 HA GLN 18 9.306 0.354 -13.944 156 HB2 GLN 18 2HB GLN 18 7.862 2.143 -12.918 157 HB3 GLN 18 1HB GLN 18 8.609 1.779 -11.375 158 HG2 GLN 18 2HG GLN 18 10.800 2.363 -12.335 159 HG3 GLN 18 1HG GLN 18 9.991 2.816 -13.837 160 HE21 GLN 18 1HE2 GLN 18 8.687 4.655 -13.879 161 HE22 GLN 18 2HE2 GLN 18 8.787 5.873 -12.645 162 H ALA 19 HN ALA 19 8.749 -1.083 -10.847 163 HA ALA 19 HA ALA 19 11.506 -0.883 -9.991 164 HB1 ALA 19 1HB ALA 19 9.670 -0.699 -8.373 165 HB2 ALA 19 2HB ALA 19 10.774 -2.020 -7.988 166 HB3 ALA 19 3HB ALA 19 9.211 -2.366 -8.726 167 H LEU 20 HN LEU 20 9.779 -2.987 -11.968 168 HA LEU 20 HA LEU 20 10.739 -5.506 -11.258 169 HB2 LEU 20 2HB LEU 20 9.979 -4.389 -13.957 170 HB3 LEU 20 1HB LEU 20 10.334 -6.080 -13.671 171 HG LEU 20 HG LEU 20 8.081 -4.530 -12.395 172 HD11 LEU 20 1HD1 LEU 20 8.098 -6.597 -14.592 173 HD12 LEU 20 2HD1 LEU 20 7.654 -4.897 -14.741 174 HD13 LEU 20 3HD1 LEU 20 6.651 -5.991 -13.790 175 HD21 LEU 20 3HD2 LEU 20 7.347 -6.726 -11.577 176 HD22 LEU 20 1HD2 LEU 20 8.924 -6.277 -10.926 177 HD23 LEU 20 2HD2 LEU 20 8.813 -7.453 -12.235 178 HA PRO 21 HA PRO 21 11.353 -7.344 -12.297 179 HB2 PRO 21 2HB PRO 21 13.240 -9.206 -11.971 180 HB3 PRO 21 1HB PRO 21 12.859 -8.552 -13.567 181 HG2 PRO 21 2HG PRO 21 15.170 -7.978 -11.783 182 HG3 PRO 21 1HG PRO 21 15.107 -8.050 -13.550 183 HD2 PRO 21 2HD PRO 21 15.041 -5.726 -11.971 184 HD3 PRO 21 1HD PRO 21 14.653 -5.833 -13.698 185 H ASN 22 HN ASN 22 12.664 -5.439 -10.199 186 HA ASN 22 HA ASN 22 12.847 -7.209 -7.897 187 HB2 ASN 22 2HB ASN 22 12.809 -4.187 -7.846 188 HB3 ASN 22 1HB ASN 22 13.476 -5.282 -6.642 189 HD21 ASN 22 1HD2 ASN 22 13.985 -3.690 -9.666 190 HD22 ASN 22 2HD2 ASN 22 15.664 -4.097 -9.835 191 H GLU 23 HN GLU 23 11.602 -5.571 -5.986 192 HA GLU 23 HA GLU 23 8.828 -5.543 -6.932 193 HB2 GLU 23 2HB GLU 23 8.070 -6.255 -4.805 194 HB3 GLU 23 1HB GLU 23 9.400 -7.319 -5.230 195 HG2 GLU 23 2HG GLU 23 9.909 -6.913 -3.065 196 HG3 GLU 23 1HG GLU 23 10.780 -5.574 -3.812 197 H ALA 24 HN ALA 24 7.488 -4.028 -5.347 198 HA ALA 24 HA ALA 24 8.988 -1.494 -5.352 199 HB1 ALA 24 1HB ALA 24 6.067 -1.914 -5.957 200 HB2 ALA 24 2HB ALA 24 7.335 -1.621 -7.149 201 HB3 ALA 24 3HB ALA 24 6.922 -0.370 -5.975 202 H CYS 25 HN CYS 25 8.859 -0.190 -3.623 203 HA CYS 25 HA CYS 25 7.182 -1.074 -1.373 204 HB2 CYS 25 2HB CYS 25 9.781 0.494 -1.374 205 HB3 CYS 25 1HB CYS 25 8.822 0.168 0.061 206 HG CYS 25 HG CYS 25 9.498 -2.680 -1.463 207 H GLY 26 HN GLY 26 6.160 0.543 -0.129 208 HA2 GLY 26 2HA GLY 26 6.346 3.297 -0.490 209 HA3 GLY 26 1HA GLY 26 5.085 2.713 -1.572 210 H LEU 27 HN LEU 27 4.169 4.388 0.205 211 HA LEU 27 HA LEU 27 2.928 2.684 2.267 212 HB2 LEU 27 2HB LEU 27 3.716 5.594 2.476 213 HB3 LEU 27 1HB LEU 27 2.765 4.737 3.673 214 HG LEU 27 HG LEU 27 5.616 4.073 2.921 215 HD11 LEU 27 1HD1 LEU 27 6.183 4.947 5.127 216 HD12 LEU 27 2HD1 LEU 27 4.502 5.418 5.379 217 HD13 LEU 27 3HD1 LEU 27 5.458 6.194 4.114 218 HD21 LEU 27 3HD2 LEU 27 5.542 2.583 4.855 219 HD22 LEU 27 1HD2 LEU 27 4.342 2.119 3.649 220 HD23 LEU 27 2HD2 LEU 27 3.841 2.983 5.102 221 H LEU 28 HN LEU 28 0.748 3.255 2.833 222 HA LEU 28 HA LEU 28 -0.620 4.821 0.743 223 HB2 LEU 28 2HB LEU 28 -1.598 2.354 2.183 224 HB3 LEU 28 1HB LEU 28 -2.575 3.327 1.103 225 HG LEU 28 HG LEU 28 -0.092 1.798 0.305 226 HD11 LEU 28 1HD1 LEU 28 -1.950 0.321 0.828 227 HD12 LEU 28 2HD1 LEU 28 -1.654 0.359 -0.911 228 HD13 LEU 28 3HD1 LEU 28 -3.008 1.257 -0.227 229 HD21 LEU 28 3HD2 LEU 28 -0.400 3.816 -1.028 230 HD22 LEU 28 1HD2 LEU 28 -2.073 3.361 -1.350 231 HD23 LEU 28 2HD2 LEU 28 -0.754 2.375 -1.982 232 H GLY 29 HN GLY 29 -1.742 6.506 1.442 233 HA2 GLY 29 2HA GLY 29 -2.489 6.572 4.297 234 HA3 GLY 29 1HA GLY 29 -1.791 7.963 3.482 235 H GLY 30 HN GLY 30 -4.276 7.923 4.838 236 HA2 GLY 30 2HA GLY 30 -5.867 9.414 3.220 237 HA3 GLY 30 1HA GLY 30 -6.364 7.767 2.861 238 H ARG 31 HN ARG 31 -8.160 7.301 3.863 239 HA ARG 31 HA ARG 31 -8.607 8.351 6.587 240 HB2 ARG 31 2HB ARG 31 -10.563 7.885 4.331 241 HB3 ARG 31 1HB ARG 31 -11.052 8.213 5.985 242 HG2 ARG 31 2HG ARG 31 -10.202 10.410 5.903 243 HG3 ARG 31 1HG ARG 31 -9.317 10.088 4.409 244 HD2 ARG 31 2HD ARG 31 -11.459 11.403 4.160 245 HD3 ARG 31 1HD ARG 31 -11.301 9.976 3.138 246 HE ARG 31 HE ARG 31 -12.748 9.716 5.675 247 HH11 ARG 31 1HH1 ARG 31 -12.834 9.903 2.175 248 HH12 ARG 31 2HH1 ARG 31 -14.429 9.236 2.054 249 HH21 ARG 31 1HH2 ARG 31 -14.848 8.841 5.511 250 HH22 ARG 31 2HH2 ARG 31 -15.592 8.644 3.952 251 H ARG 32 HN ARG 32 -9.144 6.844 8.135 252 HA ARG 32 HA ARG 32 -10.435 4.413 7.190 253 HB2 ARG 32 2HB ARG 32 -9.157 2.966 8.634 254 HB3 ARG 32 1HB ARG 32 -8.087 3.790 7.520 255 HG2 ARG 32 2HG ARG 32 -7.413 5.318 9.316 256 HG3 ARG 32 1HG ARG 32 -8.491 4.467 10.427 257 HD2 ARG 32 2HD ARG 32 -7.228 2.376 9.932 258 HD3 ARG 32 1HD ARG 32 -6.084 3.342 9.005 259 HE ARG 32 HE ARG 32 -6.168 4.536 11.465 260 HH11 ARG 32 1HH1 ARG 32 -5.509 1.289 10.314 261 HH12 ARG 32 2HH1 ARG 32 -4.401 0.913 11.598 262 HH21 ARG 32 1HH2 ARG 32 -4.701 4.041 13.156 263 HH22 ARG 32 2HH2 ARG 32 -3.912 2.491 13.184 264 H ASP 33 HN ASP 33 -12.250 4.079 8.194 265 HA ASP 33 HA ASP 33 -12.707 5.558 10.702 266 HB2 ASP 33 2HB ASP 33 -14.518 4.609 8.517 267 HB3 ASP 33 1HB ASP 33 -15.178 4.834 10.134 268 H GLY 34 HN GLY 34 -11.302 2.978 10.348 269 HA2 GLY 34 2HA GLY 34 -11.034 1.259 11.898 270 HA3 GLY 34 1HA GLY 34 -12.641 1.589 12.519 271 H ASP 35 HN ASP 35 -14.345 1.240 10.729 272 HA ASP 35 HA ASP 35 -14.287 -1.545 10.115 273 HB2 ASP 35 2HB ASP 35 -16.349 -0.248 10.759 274 HB3 ASP 35 1HB ASP 35 -16.307 0.489 9.160 275 H ASP 36 HN ASP 36 -14.128 1.421 8.172 276 HA ASP 36 HA ASP 36 -13.122 -0.235 5.964 277 HB2 ASP 36 2HB ASP 36 -14.965 2.133 5.734 278 HB3 ASP 36 1HB ASP 36 -14.120 1.417 4.376 279 H ARG 37 HN ARG 37 -11.873 0.895 4.420 280 HA ARG 37 HA ARG 37 -10.289 3.106 5.501 281 HB2 ARG 37 2HB ARG 37 -9.304 0.447 4.483 282 HB3 ARG 37 1HB ARG 37 -8.270 1.871 4.500 283 HG2 ARG 37 2HG ARG 37 -8.095 1.898 6.765 284 HG3 ARG 37 1HG ARG 37 -9.683 1.175 7.009 285 HD2 ARG 37 2HD ARG 37 -7.349 -0.360 5.891 286 HD3 ARG 37 1HD ARG 37 -7.677 -0.253 7.619 287 HE ARG 37 HE ARG 37 -9.186 -1.746 5.638 288 HH11 ARG 37 1HH1 ARG 37 -9.062 -0.489 8.911 289 HH12 ARG 37 2HH1 ARG 37 -10.276 -1.578 9.504 290 HH21 ARG 37 1HH2 ARG 37 -10.747 -3.213 6.432 291 HH22 ARG 37 2HH2 ARG 37 -11.200 -3.153 8.120 292 H TRP 38 HN TRP 38 -9.939 4.681 4.071 293 HA TRP 38 HA TRP 38 -10.436 4.144 1.220 294 HB2 TRP 38 2HB TRP 38 -10.786 6.690 2.815 295 HB3 TRP 38 1HB TRP 38 -10.964 6.580 1.067 296 HD1 TRP 38 1HD TRP 38 -13.169 5.541 0.129 297 HE1 TRP 38 1HE TRP 38 -15.437 4.955 1.192 298 HE3 TRP 38 3HE TRP 38 -11.809 5.764 5.039 299 HZ2 TRP 38 2HZ TRP 38 -16.496 4.615 3.795 300 HZ3 TRP 38 3HZ TRP 38 -13.506 5.293 6.757 301 HH2 TRP 38 2HH TRP 38 -15.798 4.731 6.149 302 H VAL 39 HN VAL 39 -8.762 4.376 -0.115 303 HA VAL 39 HA VAL 39 -6.302 5.599 0.900 304 HB VAL 39 HB VAL 39 -6.720 4.143 -1.717 305 HG11 VAL 39 1HG1 VAL 39 -4.290 3.902 -1.709 306 HG12 VAL 39 2HG1 VAL 39 -4.197 4.815 -0.203 307 HG13 VAL 39 3HG1 VAL 39 -4.757 5.603 -1.677 308 HG21 VAL 39 3HG2 VAL 39 -5.711 3.090 0.920 309 HG22 VAL 39 1HG2 VAL 39 -5.654 2.221 -0.613 310 HG23 VAL 39 2HG2 VAL 39 -7.210 2.635 0.108 311 H GLU 40 HN GLU 40 -6.496 7.789 0.709 312 HA GLU 40 HA GLU 40 -7.530 8.868 -1.799 313 HB2 GLU 40 2HB GLU 40 -6.902 10.269 0.803 314 HB3 GLU 40 1HB GLU 40 -7.595 11.032 -0.621 315 HG2 GLU 40 2HG GLU 40 -9.490 9.371 -0.423 316 HG3 GLU 40 1HG GLU 40 -8.839 8.966 1.164 317 H ARG 41 HN ARG 41 -4.536 8.223 -0.304 318 HA ARG 41 HA ARG 41 -3.216 9.614 -2.485 319 HB2 ARG 41 2HB ARG 41 -3.397 11.204 -0.504 320 HB3 ARG 41 1HB ARG 41 -2.280 10.132 0.330 321 HG2 ARG 41 2HG ARG 41 -1.151 12.058 -0.696 322 HG3 ARG 41 1HG ARG 41 -0.587 10.519 -1.359 323 HD2 ARG 41 2HD ARG 41 -2.082 10.814 -3.280 324 HD3 ARG 41 1HD ARG 41 -2.626 12.354 -2.620 325 HE ARG 41 HE ARG 41 -0.206 13.031 -2.852 326 HH11 ARG 41 1HH1 ARG 41 -1.687 10.622 -4.925 327 HH12 ARG 41 2HH1 ARG 41 -0.663 10.980 -6.283 328 HH21 ARG 41 1HH2 ARG 41 1.143 13.502 -4.644 329 HH22 ARG 41 2HH2 ARG 41 0.935 12.612 -6.120 330 H VAL 42 HN VAL 42 -1.640 8.439 -3.290 331 HA VAL 42 HA VAL 42 -0.565 6.200 -1.732 332 HB VAL 42 HB VAL 42 -0.272 6.823 -4.683 333 HG11 VAL 42 1HG1 VAL 42 1.641 5.585 -3.856 334 HG12 VAL 42 2HG1 VAL 42 0.634 4.546 -4.865 335 HG13 VAL 42 3HG1 VAL 42 0.576 4.394 -3.109 336 HG21 VAL 42 3HG2 VAL 42 -1.989 4.789 -3.265 337 HG22 VAL 42 1HG2 VAL 42 -1.773 4.901 -5.012 338 HG23 VAL 42 2HG2 VAL 42 -2.549 6.217 -4.132 339 H TYR 43 HN TYR 43 1.527 6.104 -1.105 340 HA TYR 43 HA TYR 43 3.269 8.352 -1.869 341 HB2 TYR 43 2HB TYR 43 3.086 6.896 0.775 342 HB3 TYR 43 1HB TYR 43 4.360 8.040 0.369 343 HD1 TYR 43 2HD TYR 43 0.743 7.689 1.021 344 HD2 TYR 43 1HD TYR 43 3.979 10.389 0.444 345 HE1 TYR 43 2HE TYR 43 -0.669 9.543 1.810 346 HE2 TYR 43 1HE TYR 43 2.580 12.245 1.232 347 HH TYR 43 HH TYR 43 0.365 12.875 1.579 348 HA PRO 44 HA PRO 44 5.428 4.561 -3.250 349 HB2 PRO 44 2HB PRO 44 6.314 6.107 -5.524 350 HB3 PRO 44 1HB PRO 44 5.235 4.712 -5.494 351 HG2 PRO 44 2HG PRO 44 4.424 7.244 -6.138 352 HG3 PRO 44 1HG PRO 44 3.354 6.008 -5.455 353 HD2 PRO 44 2HD PRO 44 4.725 8.295 -4.091 354 HD3 PRO 44 1HD PRO 44 3.075 7.671 -3.863 355 H LEU 45 HN LEU 45 7.041 4.644 -1.685 356 HA LEU 45 HA LEU 45 9.180 6.595 -1.948 357 HB2 LEU 45 2HB LEU 45 8.735 4.332 -0.002 358 HB3 LEU 45 1HB LEU 45 10.186 5.313 -0.012 359 HG LEU 45 HG LEU 45 8.919 6.251 1.689 360 HD11 LEU 45 1HD1 LEU 45 9.703 7.971 0.171 361 HD12 LEU 45 2HD1 LEU 45 8.170 8.437 0.909 362 HD13 LEU 45 3HD1 LEU 45 8.207 7.856 -0.757 363 HD21 LEU 45 3HD2 LEU 45 6.481 6.054 -0.068 364 HD22 LEU 45 1HD2 LEU 45 6.529 6.725 1.562 365 HD23 LEU 45 2HD2 LEU 45 6.866 5.014 1.303 366 H ASN 46 HN ASN 46 11.488 5.557 -1.660 367 HA ASN 46 HA ASN 46 11.826 3.807 -3.959 368 HB2 ASN 46 2HB ASN 46 13.286 5.771 -3.714 369 HB3 ASN 46 1HB ASN 46 13.890 5.139 -2.186 370 HD21 ASN 46 1HD2 ASN 46 15.427 3.543 -2.197 371 HD22 ASN 46 2HD2 ASN 46 16.203 2.975 -3.636 372 H ASN 47 HN ASN 47 12.828 1.799 -3.912 373 HA ASN 47 HA ASN 47 12.397 0.326 -1.456 374 HB2 ASN 47 2HB ASN 47 11.772 -0.521 -3.781 375 HB3 ASN 47 1HB ASN 47 13.495 -0.759 -4.055 376 HD21 ASN 47 1HD2 ASN 47 11.381 -2.718 -4.016 377 HD22 ASN 47 2HD2 ASN 47 11.737 -3.836 -2.745 378 H LEU 48 HN LEU 48 13.950 0.499 0.036 379 HA LEU 48 HA LEU 48 16.646 1.123 -0.572 380 HB2 LEU 48 2HB LEU 48 15.109 0.440 1.882 381 HB3 LEU 48 1HB LEU 48 16.857 0.346 1.950 382 HG LEU 48 HG LEU 48 15.829 2.500 2.745 383 HD11 LEU 48 1HD1 LEU 48 17.812 2.634 0.478 384 HD12 LEU 48 2HD1 LEU 48 18.185 2.330 2.175 385 HD13 LEU 48 3HD1 LEU 48 17.544 3.897 1.681 386 HD21 LEU 48 3HD2 LEU 48 14.114 2.755 1.033 387 HD22 LEU 48 1HD2 LEU 48 15.363 2.932 -0.199 388 HD23 LEU 48 2HD2 LEU 48 15.193 4.150 1.065 389 H ASP 49 HN ASP 49 14.996 -1.913 0.277 390 HA ASP 49 HA ASP 49 17.488 -3.356 0.414 391 HB2 ASP 49 2HB ASP 49 15.104 -3.930 1.469 392 HB3 ASP 49 1HB ASP 49 14.918 -4.797 -0.047 393 H GLN 50 HN GLN 50 14.926 -2.831 -1.913 394 HA GLN 50 HA GLN 50 14.759 -3.143 -4.151 395 HB2 GLN 50 2HB GLN 50 17.004 -1.957 -4.037 396 HB3 GLN 50 1HB GLN 50 17.754 -3.540 -4.159 397 HG2 GLN 50 2HG GLN 50 16.695 -3.881 -6.328 398 HG3 GLN 50 1HG GLN 50 15.929 -2.298 -6.204 399 HE21 GLN 50 1HE2 GLN 50 16.944 -1.559 -8.069 400 HE22 GLN 50 2HE2 GLN 50 18.632 -1.177 -8.118 401 H SER 51 HN SER 51 14.690 -5.371 -2.249 402 HA SER 51 HA SER 51 15.459 -7.585 -4.030 403 HB2 SER 51 2HB SER 51 15.227 -7.561 -1.009 404 HB3 SER 51 1HB SER 51 15.683 -8.950 -1.983 405 HG SER 51 HG SER 51 17.202 -6.912 -1.084 406 HA PRO 52 HA PRO 52 11.119 -8.463 -4.211 407 HB2 PRO 52 2HB PRO 52 11.201 -10.971 -5.202 408 HB3 PRO 52 1HB PRO 52 11.643 -9.557 -6.166 409 HG2 PRO 52 2HG PRO 52 13.406 -11.532 -4.782 410 HG3 PRO 52 1HG PRO 52 13.594 -10.788 -6.379 411 HD2 PRO 52 2HD PRO 52 14.931 -9.956 -4.137 412 HD3 PRO 52 1HD PRO 52 14.566 -8.903 -5.519 413 H GLU 53 HN GLU 53 13.265 -10.415 -2.331 414 HA GLU 53 HA GLU 53 11.083 -11.871 -1.050 415 HB2 GLU 53 2HB GLU 53 14.074 -12.023 -0.626 416 HB3 GLU 53 1HB GLU 53 12.882 -13.074 0.123 417 HG2 GLU 53 2HG GLU 53 13.248 -12.857 -2.848 418 HG3 GLU 53 1HG GLU 53 14.080 -14.042 -1.844 419 H HIS 54 HN HIS 54 12.271 -8.915 -0.781 420 HA HIS 54 HA HIS 54 12.015 -8.817 2.142 421 HB2 HIS 54 2HB HIS 54 14.245 -7.805 0.430 422 HB3 HIS 54 1HB HIS 54 13.782 -6.862 1.839 423 HD1 HIS 54 1HD HIS 54 16.052 -7.340 2.975 424 HD2 HIS 54 2HD HIS 54 13.809 -10.741 2.140 425 HE1 HIS 54 1HE HIS 54 17.097 -9.194 4.322 426 HE2 HIS 54 2HE HIS 54 15.551 -11.159 4.014 427 H PHE 55 HN PHE 55 11.860 -6.440 2.835 428 HA PHE 55 HA PHE 55 10.738 -4.582 0.957 429 HB2 PHE 55 2HB PHE 55 8.759 -5.987 1.354 430 HB3 PHE 55 1HB PHE 55 8.958 -5.810 3.092 431 HD1 PHE 55 1HD PHE 55 8.018 -4.073 -0.015 432 HD2 PHE 55 2HD PHE 55 8.185 -3.864 4.234 433 HE1 PHE 55 1HE PHE 55 6.553 -2.097 -0.056 434 HE2 PHE 55 2HE PHE 55 6.726 -1.885 4.195 435 HZ PHE 55 HZ PHE 55 5.906 -1.002 2.051 436 H SER 56 HN SER 56 11.996 -2.942 1.608 437 HA SER 56 HA SER 56 11.714 -1.984 4.320 438 HB2 SER 56 2HB SER 56 14.446 -2.750 3.268 439 HB3 SER 56 1HB SER 56 14.113 -1.956 4.806 440 HG SER 56 HG SER 56 12.586 -4.087 4.754 441 H MET 57 HN MET 57 11.941 0.149 4.480 442 HA MET 57 HA MET 57 13.113 1.617 2.232 443 HB2 MET 57 2HB MET 57 11.343 3.306 2.448 444 HB3 MET 57 1HB MET 57 10.684 1.738 2.011 445 HG2 MET 57 2HG MET 57 10.081 1.382 4.381 446 HG3 MET 57 1HG MET 57 10.645 3.015 4.733 447 HE1 MET 57 3HE MET 57 7.002 1.999 2.081 448 HE2 MET 57 1HE MET 57 7.929 0.808 2.993 449 HE3 MET 57 2HE MET 57 8.660 1.621 1.609 450 H ASP 58 HN ASP 58 13.708 3.868 2.896 451 HA ASP 58 HA ASP 58 15.224 3.676 5.329 452 HB2 ASP 58 2HB ASP 58 16.055 4.746 3.207 453 HB3 ASP 58 1HB ASP 58 14.911 6.056 3.480 454 HA PRO 59 HA PRO 59 12.441 5.601 8.235 455 HB2 PRO 59 2HB PRO 59 14.882 7.134 9.007 456 HB3 PRO 59 1HB PRO 59 13.735 6.259 10.026 457 HG2 PRO 59 2HG PRO 59 16.115 5.216 9.471 458 HG3 PRO 59 1HG PRO 59 14.669 4.194 9.535 459 HD2 PRO 59 2HD PRO 59 16.200 5.160 7.173 460 HD3 PRO 59 1HD PRO 59 15.320 3.636 7.404 461 H ARG 60 HN ARG 60 14.683 7.557 6.331 462 HA ARG 60 HA ARG 60 13.331 10.032 6.758 463 HB2 ARG 60 2HB ARG 60 15.220 9.179 4.555 464 HB3 ARG 60 1HB ARG 60 14.722 10.837 4.878 465 HG2 ARG 60 2HG ARG 60 15.927 10.948 6.859 466 HG3 ARG 60 1HG ARG 60 16.016 9.194 7.017 467 HD2 ARG 60 2HD ARG 60 17.477 9.154 5.001 468 HD3 ARG 60 1HD ARG 60 17.477 10.917 5.023 469 HE ARG 60 HE ARG 60 18.789 10.884 6.958 470 HH11 ARG 60 1HH1 ARG 60 17.983 7.640 5.890 471 HH12 ARG 60 2HH1 ARG 60 19.245 6.891 6.818 472 HH21 ARG 60 1HH2 ARG 60 20.444 9.902 8.184 473 HH22 ARG 60 2HH2 ARG 60 20.647 8.172 8.130 474 H GLU 61 HN GLU 61 13.104 7.484 4.335 475 HA GLU 61 HA GLU 61 11.306 8.753 2.569 476 HB2 GLU 61 2HB GLU 61 11.603 5.816 3.252 477 HB3 GLU 61 1HB GLU 61 10.663 6.435 1.905 478 HG2 GLU 61 2HG GLU 61 13.616 6.884 2.223 479 HG3 GLU 61 1HG GLU 61 12.915 5.543 1.320 480 H GLN 62 HN GLN 62 10.827 6.672 5.383 481 HA GLN 62 HA GLN 62 8.014 6.598 5.334 482 HB2 GLN 62 2HB GLN 62 9.845 6.402 7.736 483 HB3 GLN 62 1HB GLN 62 8.168 5.883 7.673 484 HG2 GLN 62 2HG GLN 62 8.747 4.187 6.023 485 HG3 GLN 62 1HG GLN 62 10.426 4.719 6.059 486 HE21 GLN 62 1HE2 GLN 62 8.413 4.575 8.904 487 HE22 GLN 62 2HE2 GLN 62 9.231 3.255 9.652 488 H LEU 63 HN LEU 63 10.272 8.680 7.108 489 HA LEU 63 HA LEU 63 8.392 10.065 8.632 490 HB2 LEU 63 2HB LEU 63 10.831 10.074 9.026 491 HB3 LEU 63 1HB LEU 63 11.045 11.071 7.601 492 HG LEU 63 HG LEU 63 9.745 12.872 8.675 493 HD11 LEU 63 1HD1 LEU 63 9.165 12.737 11.026 494 HD12 LEU 63 2HD1 LEU 63 9.779 11.087 11.104 495 HD13 LEU 63 3HD1 LEU 63 8.359 11.452 10.125 496 HD21 LEU 63 3HD2 LEU 63 12.066 11.845 10.306 497 HD22 LEU 63 1HD2 LEU 63 11.434 13.491 10.342 498 HD23 LEU 63 2HD2 LEU 63 12.171 12.861 8.867 499 H THR 64 HN THR 64 9.774 10.879 5.457 500 HA THR 64 HA THR 64 8.472 13.377 5.216 501 HB THR 64 HB THR 64 9.360 11.586 2.946 502 HG1 THR 64 1HG THR 64 11.241 11.786 3.941 503 HG21 THR 64 3HG2 THR 64 8.065 13.555 2.270 504 HG22 THR 64 1HG2 THR 64 9.752 13.705 1.780 505 HG23 THR 64 2HG2 THR 64 9.160 14.593 3.184 506 H ALA 65 HN ALA 65 7.538 10.096 4.247 507 HA ALA 65 HA ALA 65 5.207 10.818 2.815 508 HB1 ALA 65 1HB ALA 65 5.837 8.255 4.282 509 HB2 ALA 65 2HB ALA 65 6.218 8.612 2.596 510 HB3 ALA 65 3HB ALA 65 4.538 8.474 3.111 511 H VAL 66 HN VAL 66 5.744 9.909 6.206 512 HA VAL 66 HA VAL 66 3.034 10.168 6.995 513 HB VAL 66 HB VAL 66 5.511 10.418 8.709 514 HG11 VAL 66 1HG1 VAL 66 3.529 11.302 9.811 515 HG12 VAL 66 2HG1 VAL 66 4.037 9.789 10.559 516 HG13 VAL 66 3HG1 VAL 66 2.654 9.810 9.465 517 HG21 VAL 66 3HG2 VAL 66 5.484 8.303 7.534 518 HG22 VAL 66 1HG2 VAL 66 3.823 8.008 8.050 519 HG23 VAL 66 2HG2 VAL 66 5.123 8.052 9.241 520 H LYS 67 HN LYS 67 5.719 12.414 6.797 521 HA LYS 67 HA LYS 67 4.645 14.583 8.184 522 HB2 LYS 67 2HB LYS 67 6.670 14.256 6.021 523 HB3 LYS 67 1HB LYS 67 6.105 15.875 6.383 524 HG2 LYS 67 2HG LYS 67 6.814 15.645 8.685 525 HG3 LYS 67 1HG LYS 67 7.298 13.974 8.384 526 HD2 LYS 67 2HD LYS 67 9.012 14.683 6.865 527 HD3 LYS 67 1HD LYS 67 8.454 16.355 6.943 528 HE2 LYS 67 2HE LYS 67 9.519 14.800 9.298 529 HE3 LYS 67 1HE LYS 67 10.488 15.888 8.305 530 HZ1 LYS 67 3HZ LYS 67 9.698 16.970 10.316 531 HZ2 LYS 67 1HZ LYS 67 8.088 16.670 9.876 532 HZ3 LYS 67 2HZ LYS 67 9.044 17.709 8.936 533 H ASP 68 HN ASP 68 4.337 13.717 4.749 534 HA ASP 68 HA ASP 68 2.774 15.970 4.035 535 HB2 ASP 68 2HB ASP 68 3.988 14.450 2.427 536 HB3 ASP 68 1HB ASP 68 2.725 13.259 2.702 537 H MET 69 HN MET 69 1.954 12.687 5.033 538 HA MET 69 HA MET 69 -0.827 12.897 4.787 539 HB2 MET 69 2HB MET 69 0.949 11.166 6.461 540 HB3 MET 69 1HB MET 69 -0.792 11.135 6.717 541 HG2 MET 69 2HG MET 69 -1.079 10.592 4.320 542 HG3 MET 69 1HG MET 69 0.673 10.508 4.168 543 HE1 MET 69 3HE MET 69 1.635 7.361 6.155 544 HE2 MET 69 1HE MET 69 1.683 9.017 6.756 545 HE3 MET 69 2HE MET 69 2.162 8.669 5.096 546 H ARG 70 HN ARG 70 1.238 13.553 7.627 547 HA ARG 70 HA ARG 70 -0.871 14.314 9.338 548 HB2 ARG 70 2HB ARG 70 2.047 15.102 9.352 549 HB3 ARG 70 1HB ARG 70 0.917 15.532 10.630 550 HG2 ARG 70 2HG ARG 70 0.515 13.156 11.064 551 HG3 ARG 70 1HG ARG 70 1.671 12.736 9.798 552 HD2 ARG 70 2HD ARG 70 3.434 13.925 11.051 553 HD3 ARG 70 1HD ARG 70 2.271 14.262 12.333 554 HE ARG 70 HE ARG 70 2.170 11.557 12.051 555 HH11 ARG 70 1HH1 ARG 70 4.725 13.865 12.755 556 HH12 ARG 70 2HH1 ARG 70 5.726 12.694 13.570 557 HH21 ARG 70 1HH2 ARG 70 3.495 10.023 13.107 558 HH22 ARG 70 2HH2 ARG 70 5.038 10.507 13.749 559 H LYS 71 HN LYS 71 0.961 16.077 6.943 560 HA LYS 71 HA LYS 71 0.143 18.686 7.653 561 HB2 LYS 71 2HB LYS 71 2.063 18.122 6.165 562 HB3 LYS 71 1HB LYS 71 0.917 17.649 4.923 563 HG2 LYS 71 2HG LYS 71 0.078 19.901 4.769 564 HG3 LYS 71 1HG LYS 71 1.107 20.408 6.110 565 HD2 LYS 71 2HD LYS 71 3.092 19.811 4.772 566 HD3 LYS 71 1HD LYS 71 2.034 19.391 3.426 567 HE2 LYS 71 2HE LYS 71 1.247 21.664 3.276 568 HE3 LYS 71 1HE LYS 71 2.160 22.110 4.718 569 HZ1 LYS 71 3HZ LYS 71 4.205 21.569 3.521 570 HZ2 LYS 71 1HZ LYS 71 3.331 22.805 2.753 571 HZ3 LYS 71 2HZ LYS 71 3.305 21.226 2.123 572 H ASN 72 HN ASN 72 -1.230 16.242 5.514 573 HA ASN 72 HA ASN 72 -3.380 18.021 4.708 574 HB2 ASN 72 2HB ASN 72 -2.712 15.170 3.998 575 HB3 ASN 72 1HB ASN 72 -4.197 15.953 3.467 576 HD21 ASN 72 1HD2 ASN 72 -0.775 15.718 3.061 577 HD22 ASN 72 2HD2 ASN 72 -0.670 16.719 1.653 578 H GLY 73 HN GLY 73 -2.810 15.697 7.146 579 HA2 GLY 73 2HA GLY 73 -4.242 15.429 9.008 580 HA3 GLY 73 1HA GLY 73 -5.592 15.968 8.020 581 H TRP 74 HN TRP 74 -3.529 13.678 6.553 582 HA TRP 74 HA TRP 74 -5.618 11.663 6.691 583 HB2 TRP 74 2HB TRP 74 -3.088 11.946 5.099 584 HB3 TRP 74 1HB TRP 74 -3.930 10.405 5.187 585 HD1 TRP 74 1HD TRP 74 -6.898 11.300 4.875 586 HE1 TRP 74 1HE TRP 74 -7.751 12.246 2.635 587 HE3 TRP 74 3HE TRP 74 -2.431 12.831 2.914 588 HZ2 TRP 74 2HZ TRP 74 -6.653 13.494 0.347 589 HZ3 TRP 74 3HZ TRP 74 -2.419 13.889 0.692 590 HH2 TRP 74 2HH TRP 74 -4.487 14.212 -0.563 591 H VAL 75 HN VAL 75 -4.972 9.386 7.047 592 HA VAL 75 HA VAL 75 -2.947 9.185 9.182 593 HB VAL 75 HB VAL 75 -4.240 7.279 10.086 594 HG11 VAL 75 1HG1 VAL 75 -6.055 8.599 11.066 595 HG12 VAL 75 2HG1 VAL 75 -5.791 9.851 9.851 596 HG13 VAL 75 3HG1 VAL 75 -4.534 9.489 11.036 597 HG21 VAL 75 3HG2 VAL 75 -5.396 6.595 8.058 598 HG22 VAL 75 1HG2 VAL 75 -6.321 8.097 8.062 599 HG23 VAL 75 2HG2 VAL 75 -6.546 6.918 9.353 600 H MET 76 HN MET 76 -1.796 7.170 9.297 601 HA MET 76 HA MET 76 -1.131 6.208 6.652 602 HB2 MET 76 2HB MET 76 0.640 6.755 8.298 603 HB3 MET 76 1HB MET 76 0.051 5.471 9.341 604 HG2 MET 76 2HG MET 76 0.622 3.814 7.661 605 HG3 MET 76 1HG MET 76 1.158 5.088 6.568 606 HE1 MET 76 3HE MET 76 3.249 4.032 10.546 607 HE2 MET 76 1HE MET 76 1.829 3.193 9.926 608 HE3 MET 76 2HE MET 76 1.693 4.863 10.471 609 H LEU 77 HN LEU 77 -2.452 4.752 5.823 610 HA LEU 77 HA LEU 77 -3.991 2.930 7.400 611 HB2 LEU 77 2HB LEU 77 -3.468 2.836 4.426 612 HB3 LEU 77 1HB LEU 77 -4.795 2.081 5.288 613 HG LEU 77 HG LEU 77 -4.380 5.053 4.961 614 HD11 LEU 77 1HD1 LEU 77 -6.384 3.182 3.708 615 HD12 LEU 77 2HD1 LEU 77 -5.029 3.956 2.885 616 HD13 LEU 77 3HD1 LEU 77 -6.351 4.935 3.524 617 HD21 LEU 77 3HD2 LEU 77 -6.627 3.499 6.236 618 HD22 LEU 77 1HD2 LEU 77 -6.619 5.238 5.946 619 HD23 LEU 77 2HD2 LEU 77 -5.462 4.527 7.071 620 H GLY 78 HN GLY 78 -1.306 2.572 5.114 621 HA2 GLY 78 2HA GLY 78 0.057 0.586 6.512 622 HA3 GLY 78 1HA GLY 78 -1.025 -0.217 5.381 623 H ASN 79 HN ASN 79 0.116 -0.872 3.690 624 HA ASN 79 HA ASN 79 1.606 1.016 2.124 625 HB2 ASN 79 2HB ASN 79 3.755 -0.195 2.228 626 HB3 ASN 79 1HB ASN 79 3.319 0.504 3.781 627 HD21 ASN 79 1HD2 ASN 79 2.967 -0.813 5.501 628 HD22 ASN 79 2HD2 ASN 79 3.239 -2.518 5.468 629 H PHE 80 HN PHE 80 2.794 -0.269 0.313 630 HA PHE 80 HA PHE 80 1.238 -2.663 -0.341 631 HB2 PHE 80 2HB PHE 80 1.222 -2.039 -2.714 632 HB3 PHE 80 1HB PHE 80 0.375 -0.860 -1.728 633 HD1 PHE 80 1HD PHE 80 1.339 1.365 -1.355 634 HD2 PHE 80 2HD PHE 80 3.192 -1.462 -3.937 635 HE1 PHE 80 1HE PHE 80 2.660 3.171 -2.376 636 HE2 PHE 80 2HE PHE 80 4.524 0.339 -4.958 637 HZ PHE 80 HZ PHE 80 4.254 2.660 -4.181 638 H HIS 81 HN HIS 81 2.296 -4.312 -1.238 639 HA HIS 81 HA HIS 81 5.212 -4.092 -1.558 640 HB2 HIS 81 2HB HIS 81 4.737 -4.858 0.705 641 HB3 HIS 81 1HB HIS 81 3.672 -6.106 0.094 642 HD1 HIS 81 1HD HIS 81 7.157 -5.506 -1.289 643 HD2 HIS 81 2HD HIS 81 5.082 -8.201 1.108 644 HE1 HIS 81 1HE HIS 81 8.747 -7.399 -0.848 645 HE2 HIS 81 2HE HIS 81 7.578 -8.804 0.893 646 H SER 82 HN SER 82 6.023 -5.373 -3.178 647 HA SER 82 HA SER 82 3.932 -6.679 -4.800 648 HB2 SER 82 2HB SER 82 4.831 -4.567 -5.751 649 HB3 SER 82 1HB SER 82 6.440 -5.290 -5.775 650 HG SER 82 HG SER 82 5.860 -5.967 -7.675 651 H HIS 83 HN HIS 83 4.521 -8.515 -6.056 652 HA HIS 83 HA HIS 83 7.152 -9.692 -5.435 653 HB2 HIS 83 2HB HIS 83 4.449 -11.021 -5.400 654 HB3 HIS 83 1HB HIS 83 5.907 -11.951 -5.716 655 HD1 HIS 83 1HD HIS 83 4.057 -12.372 -3.223 656 HD2 HIS 83 2HD HIS 83 7.601 -10.199 -3.274 657 HE1 HIS 83 1HE HIS 83 4.893 -12.384 -0.850 658 HE2 HIS 83 2HE HIS 83 7.171 -11.318 -0.984 659 HA PRO 84 HA PRO 84 7.054 -10.125 -9.876 660 HB2 PRO 84 2HB PRO 84 9.647 -10.952 -10.122 661 HB3 PRO 84 1HB PRO 84 9.166 -9.275 -9.866 662 HG2 PRO 84 2HG PRO 84 10.547 -11.065 -8.050 663 HG3 PRO 84 1HG PRO 84 10.233 -9.334 -7.875 664 HD2 PRO 84 2HD PRO 84 8.808 -11.605 -6.698 665 HD3 PRO 84 1HD PRO 84 8.745 -9.887 -6.256 666 H ALA 85 HN ALA 85 8.723 -12.735 -8.093 667 HA ALA 85 HA ALA 85 7.591 -14.651 -10.024 668 HB1 ALA 85 1HB ALA 85 10.012 -14.453 -10.256 669 HB2 ALA 85 2HB ALA 85 9.569 -16.044 -9.642 670 HB3 ALA 85 3HB ALA 85 10.219 -14.827 -8.543 671 H THR 86 HN THR 86 6.484 -13.658 -7.500 672 HA THR 86 HA THR 86 5.990 -16.252 -6.265 673 HB THR 86 HB THR 86 5.969 -14.825 -4.011 674 HG1 THR 86 1HG THR 86 8.318 -13.715 -4.972 675 HG21 THR 86 3HG2 THR 86 8.486 -15.981 -5.216 676 HG22 THR 86 1HG2 THR 86 7.236 -16.890 -4.367 677 HG23 THR 86 2HG2 THR 86 8.198 -15.693 -3.499 678 HA PRO 87 HA PRO 87 1.875 -14.671 -6.365 679 HB2 PRO 87 2HB PRO 87 0.630 -16.270 -4.613 680 HB3 PRO 87 1HB PRO 87 1.326 -16.910 -6.106 681 HG2 PRO 87 2HG PRO 87 2.415 -16.989 -3.324 682 HG3 PRO 87 1HG PRO 87 2.420 -18.254 -4.565 683 HD2 PRO 87 2HD PRO 87 4.565 -16.614 -3.992 684 HD3 PRO 87 1HD PRO 87 4.320 -17.443 -5.541 685 H ALA 88 HN ALA 88 -0.035 -14.222 -4.675 686 HA ALA 88 HA ALA 88 1.000 -12.144 -2.943 687 HB1 ALA 88 1HB ALA 88 -0.894 -11.626 -4.372 688 HB2 ALA 88 2HB ALA 88 -1.337 -11.481 -2.672 689 HB3 ALA 88 3HB ALA 88 -1.847 -12.893 -3.599 690 H ARG 89 HN ARG 89 2.022 -13.880 -1.600 691 HA ARG 89 HA ARG 89 0.240 -14.386 0.669 692 HB2 ARG 89 2HB ARG 89 2.157 -16.417 -0.507 693 HB3 ARG 89 1HB ARG 89 1.378 -16.584 1.058 694 HG2 ARG 89 2HG ARG 89 -0.823 -16.501 -0.105 695 HG3 ARG 89 1HG ARG 89 0.046 -16.538 -1.640 696 HD2 ARG 89 2HD ARG 89 0.158 -18.640 0.522 697 HD3 ARG 89 1HD ARG 89 -0.716 -18.768 -1.002 698 HE ARG 89 HE ARG 89 2.231 -18.615 -0.785 699 HH11 ARG 89 1HH1 ARG 89 -0.694 -19.711 -2.356 700 HH12 ARG 89 2HH1 ARG 89 0.134 -20.700 -3.519 701 HH21 ARG 89 1HH2 ARG 89 3.355 -19.914 -2.330 702 HH22 ARG 89 2HH2 ARG 89 2.432 -20.830 -3.485 703 HA PRO 90 HA PRO 90 3.666 -12.595 2.843 704 HB2 PRO 90 2HB PRO 90 2.705 -13.857 5.289 705 HB3 PRO 90 1HB PRO 90 2.697 -12.150 4.846 706 HG2 PRO 90 2HG PRO 90 0.430 -13.628 5.039 707 HG3 PRO 90 1HG PRO 90 0.598 -12.264 3.917 708 HD2 PRO 90 2HD PRO 90 0.803 -15.206 3.376 709 HD3 PRO 90 1HD PRO 90 0.026 -13.932 2.410 710 H SER 91 HN SER 91 5.697 -13.269 3.065 711 HA SER 91 HA SER 91 6.298 -16.093 3.348 712 HB2 SER 91 2HB SER 91 7.585 -14.726 1.754 713 HB3 SER 91 1HB SER 91 8.112 -13.674 3.064 714 HG SER 91 HG SER 91 9.758 -15.077 2.785 715 H ALA 92 HN ALA 92 7.967 -16.764 5.005 716 HA ALA 92 HA ALA 92 7.058 -16.109 7.598 717 HB1 ALA 92 1HB ALA 92 8.089 -18.273 7.015 718 HB2 ALA 92 2HB ALA 92 8.853 -17.517 8.413 719 HB3 ALA 92 3HB ALA 92 9.647 -17.462 6.840 720 H GLU 93 HN GLU 93 9.977 -15.208 5.826 721 HA GLU 93 HA GLU 93 11.032 -13.557 7.903 722 HB2 GLU 93 2HB GLU 93 12.389 -14.668 6.141 723 HB3 GLU 93 1HB GLU 93 11.670 -13.598 4.948 724 HG2 GLU 93 2HG GLU 93 12.672 -11.676 6.050 725 HG3 GLU 93 1HG GLU 93 13.368 -12.736 7.277 726 H ASP 94 HN ASP 94 9.049 -13.082 5.078 727 HA ASP 94 HA ASP 94 9.136 -10.259 4.930 728 HB2 ASP 94 2HB ASP 94 8.438 -11.862 3.115 729 HB3 ASP 94 1HB ASP 94 6.935 -12.114 3.991 730 H LYS 95 HN LYS 95 7.060 -12.542 6.586 731 HA LYS 95 HA LYS 95 4.979 -10.865 7.398 732 HB2 LYS 95 2HB LYS 95 5.071 -13.376 7.462 733 HB3 LYS 95 1HB LYS 95 6.110 -13.256 8.867 734 HG2 LYS 95 2HG LYS 95 3.389 -12.017 8.867 735 HG3 LYS 95 1HG LYS 95 3.603 -13.737 9.184 736 HD2 LYS 95 2HD LYS 95 5.347 -12.938 10.930 737 HD3 LYS 95 1HD LYS 95 4.532 -11.380 10.787 738 HE2 LYS 95 2HE LYS 95 3.543 -12.553 12.618 739 HE3 LYS 95 1HE LYS 95 2.380 -12.557 11.291 740 HZ1 LYS 95 3HZ LYS 95 3.119 -14.812 10.730 741 HZ2 LYS 95 1HZ LYS 95 2.507 -14.735 12.308 742 HZ3 LYS 95 2HZ LYS 95 4.181 -14.797 12.048 743 H ARG 96 HN ARG 96 8.195 -11.287 8.663 744 HA ARG 96 HA ARG 96 7.767 -10.358 11.297 745 HB2 ARG 96 2HB ARG 96 10.299 -10.360 9.648 746 HB3 ARG 96 1HB ARG 96 10.218 -10.112 11.387 747 HG2 ARG 96 2HG ARG 96 9.353 -12.345 11.704 748 HG3 ARG 96 1HG ARG 96 9.311 -12.603 9.960 749 HD2 ARG 96 2HD ARG 96 11.779 -12.266 9.916 750 HD3 ARG 96 1HD ARG 96 11.754 -12.183 11.680 751 HE ARG 96 HE ARG 96 10.474 -14.536 11.041 752 HH11 ARG 96 1HH1 ARG 96 13.675 -13.192 10.493 753 HH12 ARG 96 2HH1 ARG 96 14.448 -14.744 10.419 754 HH21 ARG 96 1HH2 ARG 96 11.478 -16.549 10.941 755 HH22 ARG 96 2HH2 ARG 96 13.194 -16.671 10.679 756 H LEU 97 HN LEU 97 7.836 -8.699 8.343 757 HA LEU 97 HA LEU 97 8.927 -6.221 9.309 758 HB2 LEU 97 2HB LEU 97 7.436 -6.850 6.763 759 HB3 LEU 97 1HB LEU 97 8.344 -5.387 7.086 760 HG LEU 97 HG LEU 97 9.575 -8.136 7.009 761 HD11 LEU 97 1HD1 LEU 97 10.427 -7.528 4.812 762 HD12 LEU 97 2HD1 LEU 97 9.528 -6.011 4.875 763 HD13 LEU 97 3HD1 LEU 97 8.666 -7.549 4.823 764 HD21 LEU 97 3HD2 LEU 97 10.798 -5.379 6.985 765 HD22 LEU 97 1HD2 LEU 97 11.679 -6.901 6.862 766 HD23 LEU 97 2HD2 LEU 97 10.807 -6.505 8.343 767 H ALA 98 HN ALA 98 6.037 -7.675 9.887 768 HA ALA 98 HA ALA 98 4.338 -5.348 9.642 769 HB1 ALA 98 1HB ALA 98 3.450 -7.625 9.266 770 HB2 ALA 98 2HB ALA 98 2.577 -6.740 10.518 771 HB3 ALA 98 3HB ALA 98 3.737 -7.988 10.968 772 H PHE 99 HN PHE 99 5.092 -3.782 10.967 773 HA PHE 99 HA PHE 99 5.736 -4.373 13.726 774 HB2 PHE 99 2HB PHE 99 5.741 -1.752 12.220 775 HB3 PHE 99 1HB PHE 99 6.306 -1.965 13.874 776 HD1 PHE 99 1HD PHE 99 8.162 -3.759 14.215 777 HD2 PHE 99 2HD PHE 99 7.233 -1.955 10.477 778 HE1 PHE 99 1HE PHE 99 10.397 -4.358 13.377 779 HE2 PHE 99 2HE PHE 99 9.464 -2.555 9.629 780 HZ PHE 99 HZ PHE 99 11.051 -3.758 11.081 781 H ASP 100 HN ASP 100 3.065 -3.018 11.942 782 HA ASP 100 HA ASP 100 1.725 -2.239 14.432 783 HB2 ASP 100 2HB ASP 100 1.602 -0.585 12.664 784 HB3 ASP 100 1HB ASP 100 1.006 -1.778 11.528 785 HA PRO 101 HA PRO 101 -0.349 -6.047 14.718 786 HB2 PRO 101 2HB PRO 101 -2.652 -5.330 15.986 787 HB3 PRO 101 1HB PRO 101 -1.076 -5.410 16.782 788 HG2 PRO 101 2HG PRO 101 -2.518 -3.032 15.669 789 HG3 PRO 101 1HG PRO 101 -1.651 -3.196 17.209 790 HD2 PRO 101 2HD PRO 101 -0.540 -1.987 15.082 791 HD3 PRO 101 1HD PRO 101 0.423 -2.962 16.210 792 H SER 102 HN SER 102 -1.627 -3.716 12.625 793 HA SER 102 HA SER 102 -3.306 -5.801 11.455 794 HB2 SER 102 2HB SER 102 -4.302 -2.992 11.961 795 HB3 SER 102 1HB SER 102 -5.183 -4.266 11.120 796 HG SER 102 HG SER 102 -4.480 -5.328 13.390 797 H LEU 103 HN LEU 103 -2.103 -2.485 11.056 798 HA LEU 103 HA LEU 103 -1.785 -1.190 9.217 799 HB2 LEU 103 2HB LEU 103 -0.517 -3.799 8.468 800 HB3 LEU 103 1HB LEU 103 -0.493 -2.438 7.377 801 HG LEU 103 HG LEU 103 0.777 -2.614 10.087 802 HD11 LEU 103 1HD1 LEU 103 2.011 -3.678 8.287 803 HD12 LEU 103 2HD1 LEU 103 2.832 -2.212 8.825 804 HD13 LEU 103 3HD1 LEU 103 1.902 -2.203 7.326 805 HD21 LEU 103 3HD2 LEU 103 1.548 -0.315 9.716 806 HD22 LEU 103 1HD2 LEU 103 -0.211 -0.396 9.821 807 HD23 LEU 103 2HD2 LEU 103 0.571 -0.228 8.250 808 H SER 104 HN SER 104 -1.763 -1.430 6.620 809 HA SER 104 HA SER 104 -3.904 -3.179 5.682 810 HB2 SER 104 2HB SER 104 -3.458 -0.337 4.711 811 HB3 SER 104 1HB SER 104 -4.691 -1.460 4.132 812 HG SER 104 HG SER 104 -4.734 -1.132 6.845 813 H TYR 105 HN TYR 105 -2.435 -4.654 4.940 814 HA TYR 105 HA TYR 105 -0.076 -3.678 3.505 815 HB2 TYR 105 2HB TYR 105 -0.085 -5.306 5.549 816 HB3 TYR 105 1HB TYR 105 -0.532 -6.522 4.363 817 HD1 TYR 105 1HD TYR 105 1.060 -6.958 2.427 818 HD2 TYR 105 2HD TYR 105 2.145 -4.642 5.826 819 HE1 TYR 105 1HE TYR 105 3.432 -7.302 1.898 820 HE2 TYR 105 2HE TYR 105 4.527 -4.976 5.300 821 HH TYR 105 HH TYR 105 5.889 -6.780 4.014 822 H LEU 106 HN LEU 106 -0.787 -3.345 1.425 823 HA LEU 106 HA LEU 106 -2.366 -5.389 0.101 824 HB2 LEU 106 2HB LEU 106 -1.337 -2.699 -0.764 825 HB3 LEU 106 1HB LEU 106 -2.059 -3.816 -1.903 826 HG LEU 106 HG LEU 106 -4.129 -3.789 -0.450 827 HD11 LEU 106 1HD1 LEU 106 -3.135 -2.947 1.598 828 HD12 LEU 106 2HD1 LEU 106 -4.423 -1.880 1.042 829 HD13 LEU 106 3HD1 LEU 106 -2.737 -1.427 0.796 830 HD21 LEU 106 3HD2 LEU 106 -4.905 -1.632 -1.335 831 HD22 LEU 106 1HD2 LEU 106 -4.028 -2.575 -2.539 832 HD23 LEU 106 2HD2 LEU 106 -3.241 -1.214 -1.741 833 H ILE 107 HN ILE 107 -1.547 -6.991 -1.058 834 HA ILE 107 HA ILE 107 1.276 -6.793 -1.878 835 HB ILE 107 HB ILE 107 -0.322 -9.286 -1.255 836 HG12 ILE 107 2HG1 ILE 107 2.043 -8.038 0.162 837 HG13 ILE 107 1HG1 ILE 107 0.386 -8.016 0.738 838 HG21 ILE 107 1HG2 ILE 107 2.548 -9.002 -2.128 839 HG22 ILE 107 2HG2 ILE 107 1.230 -9.679 -3.084 840 HG23 ILE 107 3HG2 ILE 107 1.770 -10.501 -1.621 841 HD11 ILE 107 3HD1 ILE 107 1.699 -9.689 1.902 842 HD12 ILE 107 1HD1 ILE 107 2.082 -10.473 0.370 843 HD13 ILE 107 2HD1 ILE 107 0.418 -10.447 0.956 844 H ILE 108 HN ILE 108 1.651 -6.706 -3.958 845 HA ILE 108 HA ILE 108 -0.495 -7.457 -5.823 846 HB ILE 108 HB ILE 108 1.911 -5.690 -6.325 847 HG12 ILE 108 2HG1 ILE 108 -1.005 -4.953 -5.982 848 HG13 ILE 108 1HG1 ILE 108 0.247 -4.690 -4.778 849 HG21 ILE 108 1HG2 ILE 108 0.757 -5.122 -8.430 850 HG22 ILE 108 2HG2 ILE 108 -0.477 -6.326 -8.057 851 HG23 ILE 108 3HG2 ILE 108 1.189 -6.829 -8.341 852 HD11 ILE 108 3HD1 ILE 108 0.133 -3.438 -7.505 853 HD12 ILE 108 1HD1 ILE 108 1.401 -3.180 -6.308 854 HD13 ILE 108 2HD1 ILE 108 -0.249 -2.647 -5.975 855 H SER 109 HN SER 109 -0.262 -9.261 -6.919 856 HA SER 109 HA SER 109 2.360 -10.548 -7.038 857 HB2 SER 109 2HB SER 109 0.359 -11.844 -6.259 858 HB3 SER 109 1HB SER 109 -0.341 -11.654 -7.866 859 HG SER 109 HG SER 109 0.743 -13.387 -8.348 860 H LEU 110 HN LEU 110 3.540 -9.820 -8.683 861 HA LEU 110 HA LEU 110 2.264 -9.241 -11.255 862 HB2 LEU 110 2HB LEU 110 4.325 -8.015 -9.771 863 HB3 LEU 110 1HB LEU 110 5.107 -8.732 -11.166 864 HG LEU 110 HG LEU 110 2.778 -6.812 -11.309 865 HD11 LEU 110 1HD1 LEU 110 4.775 -5.728 -10.432 866 HD12 LEU 110 2HD1 LEU 110 4.412 -5.175 -12.066 867 HD13 LEU 110 3HD1 LEU 110 5.711 -6.336 -11.798 868 HD21 LEU 110 3HD2 LEU 110 2.863 -8.300 -13.218 869 HD22 LEU 110 1HD2 LEU 110 4.577 -7.953 -13.443 870 HD23 LEU 110 2HD2 LEU 110 3.379 -6.682 -13.692 871 H ALA 111 HN ALA 111 2.714 -11.939 -10.186 872 HA ALA 111 HA ALA 111 4.834 -13.271 -11.439 873 HB1 ALA 111 1HB ALA 111 2.073 -14.333 -10.827 874 HB2 ALA 111 2HB ALA 111 3.433 -14.289 -9.704 875 HB3 ALA 111 3HB ALA 111 3.514 -15.297 -11.149 876 H GLU 112 HN GLU 112 1.818 -12.054 -12.664 877 HA GLU 112 HA GLU 112 2.631 -12.919 -15.363 878 HB2 GLU 112 2HB GLU 112 0.498 -13.981 -14.469 879 HB3 GLU 112 1HB GLU 112 -0.201 -12.371 -14.426 880 HG2 GLU 112 2HG GLU 112 -0.991 -13.290 -16.405 881 HG3 GLU 112 1HG GLU 112 0.344 -12.259 -16.916 882 HA PRO 113 HA PRO 113 2.614 -8.476 -15.954 883 HB2 PRO 113 2HB PRO 113 3.024 -8.806 -18.774 884 HB3 PRO 113 1HB PRO 113 4.217 -8.392 -17.542 885 HG2 PRO 113 2HG PRO 113 4.179 -10.766 -18.947 886 HG3 PRO 113 1HG PRO 113 4.961 -10.535 -17.375 887 HD2 PRO 113 2HD PRO 113 2.313 -11.770 -18.013 888 HD3 PRO 113 1HD PRO 113 3.517 -12.239 -16.793 889 H GLN 114 HN GLN 114 0.595 -10.651 -17.651 890 HA GLN 114 HA GLN 114 -0.984 -8.576 -18.932 891 HB2 GLN 114 2HB GLN 114 -1.249 -11.583 -18.887 892 HB3 GLN 114 1HB GLN 114 -2.286 -10.506 -19.808 893 HG2 GLN 114 2HG GLN 114 -0.493 -9.840 -21.211 894 HG3 GLN 114 1HG GLN 114 0.693 -10.642 -20.178 895 HE21 GLN 114 1HE2 GLN 114 0.118 -11.000 -23.025 896 HE22 GLN 114 2HE2 GLN 114 -0.277 -12.675 -23.218 897 H LYS 115 HN LYS 115 -0.900 -10.157 -15.961 898 HA LYS 115 HA LYS 115 -3.522 -9.220 -15.229 899 HB2 LYS 115 2HB LYS 115 -3.958 -11.411 -16.329 900 HB3 LYS 115 1HB LYS 115 -2.928 -12.183 -15.136 901 HG2 LYS 115 2HG LYS 115 -4.463 -11.570 -13.368 902 HG3 LYS 115 1HG LYS 115 -5.467 -10.682 -14.522 903 HD2 LYS 115 2HD LYS 115 -5.900 -12.746 -15.744 904 HD3 LYS 115 1HD LYS 115 -4.880 -13.640 -14.616 905 HE2 LYS 115 2HE LYS 115 -6.403 -13.098 -12.793 906 HE3 LYS 115 1HE LYS 115 -7.409 -12.158 -13.896 907 HZ1 LYS 115 3HZ LYS 115 -8.258 -14.418 -13.472 908 HZ2 LYS 115 1HZ LYS 115 -6.867 -15.066 -14.187 909 HZ3 LYS 115 2HZ LYS 115 -7.943 -14.136 -15.112 910 HA PRO 116 HA PRO 116 -0.599 -9.222 -11.691 911 HB2 PRO 116 2HB PRO 116 -1.465 -6.510 -11.207 912 HB3 PRO 116 1HB PRO 116 0.136 -7.078 -11.683 913 HG2 PRO 116 2HG PRO 116 -1.499 -5.583 -13.298 914 HG3 PRO 116 1HG PRO 116 -0.245 -6.683 -13.899 915 HD2 PRO 116 2HD PRO 116 -3.201 -7.116 -13.675 916 HD3 PRO 116 1HD PRO 116 -2.087 -7.592 -14.976 917 H VAL 117 HN VAL 117 -1.486 -10.221 -9.974 918 HA VAL 117 HA VAL 117 -4.262 -9.723 -9.283 919 HB VAL 117 HB VAL 117 -2.252 -11.574 -7.982 920 HG11 VAL 117 1HG1 VAL 117 -4.059 -10.968 -6.463 921 HG12 VAL 117 2HG1 VAL 117 -4.182 -12.656 -6.958 922 HG13 VAL 117 3HG1 VAL 117 -5.249 -11.448 -7.674 923 HG21 VAL 117 3HG2 VAL 117 -3.436 -13.364 -9.197 924 HG22 VAL 117 1HG2 VAL 117 -2.670 -12.211 -10.290 925 HG23 VAL 117 2HG2 VAL 117 -4.410 -12.144 -10.018 926 H CYS 118 HN CYS 118 -4.875 -8.262 -7.843 927 HA CYS 118 HA CYS 118 -2.886 -7.287 -5.909 928 HB2 CYS 118 2HB CYS 118 -4.238 -5.169 -5.917 929 HB3 CYS 118 1HB CYS 118 -3.444 -5.533 -7.446 930 HG CYS 118 HG CYS 118 -6.730 -6.287 -6.864 931 H LYS 119 HN LYS 119 -3.277 -7.905 -3.887 932 HA LYS 119 HA LYS 119 -6.074 -7.882 -2.964 933 HB2 LYS 119 2HB LYS 119 -3.935 -9.883 -2.296 934 HB3 LYS 119 1HB LYS 119 -5.324 -9.634 -1.265 935 HG2 LYS 119 2HG LYS 119 -6.799 -10.253 -3.140 936 HG3 LYS 119 1HG LYS 119 -5.366 -10.580 -4.122 937 HD2 LYS 119 2HD LYS 119 -4.674 -12.338 -2.663 938 HD3 LYS 119 1HD LYS 119 -5.896 -11.909 -1.469 939 HE2 LYS 119 2HE LYS 119 -6.500 -12.896 -4.249 940 HE3 LYS 119 1HE LYS 119 -6.446 -13.924 -2.819 941 HZ1 LYS 119 3HZ LYS 119 -8.305 -11.649 -3.278 942 HZ2 LYS 119 1HZ LYS 119 -8.235 -12.571 -1.852 943 HZ3 LYS 119 2HZ LYS 119 -8.701 -13.296 -3.315 944 H SER 120 HN SER 120 -6.246 -7.642 -0.626 945 HA SER 120 HA SER 120 -4.059 -6.022 0.504 946 HB2 SER 120 2HB SER 120 -6.080 -4.661 -0.023 947 HB3 SER 120 1HB SER 120 -7.034 -5.711 1.025 948 HG SER 120 HG SER 120 -6.351 -3.821 2.106 949 H PHE 121 HN PHE 121 -3.331 -6.681 2.483 950 HA PHE 121 HA PHE 121 -4.819 -8.903 3.713 951 HB2 PHE 121 2HB PHE 121 -1.828 -8.621 3.413 952 HB3 PHE 121 1HB PHE 121 -2.622 -9.868 4.366 953 HD1 PHE 121 2HD PHE 121 -3.882 -11.649 3.280 954 HD2 PHE 121 1HD PHE 121 -1.776 -8.722 1.023 955 HE1 PHE 121 2HE PHE 121 -4.042 -13.081 1.287 956 HE2 PHE 121 1HE PHE 121 -1.932 -10.147 -0.975 957 HZ PHE 121 HZ PHE 121 -3.063 -12.329 -0.845 958 H LEU 122 HN LEU 122 -5.326 -8.674 5.738 959 HA LEU 122 HA LEU 122 -4.045 -6.639 7.389 960 HB2 LEU 122 2HB LEU 122 -6.336 -8.530 7.967 961 HB3 LEU 122 1HB LEU 122 -5.770 -7.285 9.056 962 HG LEU 122 HG LEU 122 -7.028 -6.824 6.353 963 HD11 LEU 122 1HD1 LEU 122 -8.893 -5.893 7.635 964 HD12 LEU 122 2HD1 LEU 122 -8.090 -6.356 9.136 965 HD13 LEU 122 3HD1 LEU 122 -8.633 -7.598 8.007 966 HD21 LEU 122 3HD2 LEU 122 -6.112 -4.854 8.444 967 HD22 LEU 122 1HD2 LEU 122 -7.012 -4.457 6.980 968 HD23 LEU 122 2HD2 LEU 122 -5.379 -5.113 6.861 969 H ILE 123 HN ILE 123 -2.176 -7.262 8.295 970 HA ILE 123 HA ILE 123 -1.654 -10.084 8.718 971 HB ILE 123 HB ILE 123 0.149 -7.714 9.249 972 HG12 ILE 123 2HG1 ILE 123 0.044 -9.627 6.901 973 HG13 ILE 123 1HG1 ILE 123 -0.423 -7.932 6.866 974 HG21 ILE 123 1HG2 ILE 123 0.739 -9.675 10.578 975 HG22 ILE 123 2HG2 ILE 123 1.941 -9.386 9.322 976 HG23 ILE 123 3HG2 ILE 123 0.752 -10.670 9.121 977 HD11 ILE 123 3HD1 ILE 123 2.343 -8.992 7.388 978 HD12 ILE 123 1HD1 ILE 123 1.881 -7.290 7.359 979 HD13 ILE 123 2HD1 ILE 123 1.773 -8.259 5.889 980 H LYS 124 HN LYS 124 -2.325 -11.005 10.488 981 HA LYS 124 HA LYS 124 -2.464 -9.410 12.953 982 HB2 LYS 124 2HB LYS 124 -4.222 -11.687 12.019 983 HB3 LYS 124 1HB LYS 124 -4.326 -10.938 13.608 984 HG2 LYS 124 2HG LYS 124 -5.040 -8.876 12.696 985 HG3 LYS 124 1HG LYS 124 -4.624 -9.375 11.056 986 HD2 LYS 124 2HD LYS 124 -6.396 -11.068 11.136 987 HD3 LYS 124 1HD LYS 124 -6.813 -10.547 12.771 988 HE2 LYS 124 2HE LYS 124 -7.396 -8.343 11.957 989 HE3 LYS 124 1HE LYS 124 -6.880 -8.778 10.330 990 HZ1 LYS 124 3HZ LYS 124 -9.333 -8.854 10.777 991 HZ2 LYS 124 1HZ LYS 124 -9.050 -10.208 11.754 992 HZ3 LYS 124 2HZ LYS 124 -8.675 -10.258 10.102 993 H LYS 125 HN LYS 125 -2.767 -11.214 14.842 994 HA LYS 125 HA LYS 125 -0.148 -12.247 15.141 995 HB2 LYS 125 2HB LYS 125 -1.565 -11.433 17.009 996 HB3 LYS 125 1HB LYS 125 -2.603 -12.829 16.798 997 HG2 LYS 125 2HG LYS 125 -0.741 -14.309 17.341 998 HG3 LYS 125 1HG LYS 125 0.310 -12.909 17.554 999 HD2 LYS 125 2HD LYS 125 -1.083 -12.123 19.390 1000 HD3 LYS 125 1HD LYS 125 -2.179 -13.488 19.157 1001 HE2 LYS 125 2HE LYS 125 -0.439 -15.046 19.753 1002 HE3 LYS 125 1HE LYS 125 0.748 -13.744 19.836 1003 HZ1 LYS 125 3HZ LYS 125 -0.506 -12.787 21.675 1004 HZ2 LYS 125 1HZ LYS 125 0.007 -14.363 22.034 1005 HZ3 LYS 125 2HZ LYS 125 -1.611 -14.072 21.615 1006 H ASP 126 HN ASP 126 -3.274 -13.898 15.071 1007 HA ASP 126 HA ASP 126 -1.896 -16.456 14.930 1008 HB2 ASP 126 2HB ASP 126 -4.827 -15.792 15.233 1009 HB3 ASP 126 1HB ASP 126 -4.159 -17.420 15.267 1010 H GLY 127 HN GLY 127 -2.498 -14.383 12.597 1011 HA2 GLY 127 2HA GLY 127 -2.101 -16.013 10.484 1012 HA3 GLY 127 1HA GLY 127 -3.840 -16.123 10.712 1013 H VAL 128 HN VAL 128 -3.662 -15.250 8.455 1014 HA VAL 128 HA VAL 128 -3.571 -12.313 8.537 1015 HB VAL 128 HB VAL 128 -1.728 -13.251 7.193 1016 HG11 VAL 128 1HG1 VAL 128 -3.914 -14.432 5.485 1017 HG12 VAL 128 2HG1 VAL 128 -2.740 -15.324 6.455 1018 HG13 VAL 128 3HG1 VAL 128 -2.203 -14.382 5.063 1019 HG21 VAL 128 3HG2 VAL 128 -2.110 -11.941 5.166 1020 HG22 VAL 128 1HG2 VAL 128 -2.633 -11.074 6.607 1021 HG23 VAL 128 2HG2 VAL 128 -3.827 -11.836 5.556 1022 H ASP 129 HN ASP 129 -5.206 -11.197 7.541 1023 HA ASP 129 HA ASP 129 -7.457 -12.788 6.486 1024 HB2 ASP 129 2HB ASP 129 -7.965 -12.027 8.770 1025 HB3 ASP 129 1HB ASP 129 -7.606 -10.371 8.309 1026 H GLU 130 HN GLU 130 -8.112 -12.134 4.497 1027 HA GLU 130 HA GLU 130 -6.716 -9.903 3.335 1028 HB2 GLU 130 2HB GLU 130 -7.674 -10.656 1.234 1029 HB3 GLU 130 1HB GLU 130 -6.924 -11.984 2.091 1030 HG2 GLU 130 2HG GLU 130 -9.150 -12.708 2.850 1031 HG3 GLU 130 1HG GLU 130 -9.872 -11.406 1.906 1032 H GLU 131 HN GLU 131 -7.517 -8.044 2.607 1033 HA GLU 131 HA GLU 131 -10.255 -7.329 3.411 1034 HB2 GLU 131 2HB GLU 131 -8.556 -5.936 4.427 1035 HB3 GLU 131 1HB GLU 131 -7.790 -5.662 2.873 1036 HG2 GLU 131 2HG GLU 131 -8.961 -3.697 3.449 1037 HG3 GLU 131 1HG GLU 131 -9.847 -4.474 2.141 1038 H GLU 132 HN GLU 132 -11.725 -6.930 1.865 1039 HA GLU 132 HA GLU 132 -11.085 -7.433 -0.847 1040 HB2 GLU 132 2HB GLU 132 -13.454 -6.830 -1.267 1041 HB3 GLU 132 1HB GLU 132 -13.250 -8.059 -0.034 1042 HG2 GLU 132 2HG GLU 132 -13.459 -5.221 0.815 1043 HG3 GLU 132 1HG GLU 132 -14.912 -6.042 0.258 1044 H ILE 133 HN ILE 133 -10.913 -6.088 -2.566 1045 HA ILE 133 HA ILE 133 -10.453 -3.256 -1.911 1046 HB ILE 133 HB ILE 133 -9.293 -4.864 -4.197 1047 HG12 ILE 133 2HG1 ILE 133 -7.993 -3.886 -1.644 1048 HG13 ILE 133 1HG1 ILE 133 -8.390 -5.561 -2.016 1049 HG21 ILE 133 1HG2 ILE 133 -9.549 -2.512 -4.758 1050 HG22 ILE 133 2HG2 ILE 133 -7.845 -2.909 -4.542 1051 HG23 ILE 133 3HG2 ILE 133 -8.715 -2.048 -3.273 1052 HD11 ILE 133 3HD1 ILE 133 -6.032 -5.136 -2.342 1053 HD12 ILE 133 1HD1 ILE 133 -6.400 -3.839 -3.479 1054 HD13 ILE 133 2HD1 ILE 133 -6.807 -5.507 -3.883 1055 H ILE 134 HN ILE 134 -11.911 -1.895 -2.642 1056 HA ILE 134 HA ILE 134 -13.390 -2.587 -5.084 1057 HB ILE 134 HB ILE 134 -14.183 -0.972 -2.675 1058 HG12 ILE 134 2HG1 ILE 134 -16.282 -2.323 -2.929 1059 HG13 ILE 134 1HG1 ILE 134 -15.515 -3.177 -4.259 1060 HG21 ILE 134 1HG2 ILE 134 -14.657 0.499 -4.528 1061 HG22 ILE 134 2HG2 ILE 134 -16.167 -0.167 -3.905 1062 HG23 ILE 134 3HG2 ILE 134 -15.470 -0.802 -5.396 1063 HD11 ILE 134 3HD1 ILE 134 -14.575 -3.148 -1.409 1064 HD12 ILE 134 1HD1 ILE 134 -13.801 -4.006 -2.740 1065 HD13 ILE 134 2HD1 ILE 134 -15.421 -4.467 -2.217 1066 H LEU 135 HN LEU 135 -13.114 -1.392 -6.837 1067 HA LEU 135 HA LEU 135 -11.307 0.893 -6.720 1068 HB2 LEU 135 2HB LEU 135 -12.540 -0.516 -9.094 1069 HB3 LEU 135 1HB LEU 135 -11.316 0.732 -9.173 1070 HG LEU 135 HG LEU 135 -10.923 -1.988 -7.926 1071 HD11 LEU 135 1HD1 LEU 135 -9.581 -2.494 -9.879 1072 HD12 LEU 135 2HD1 LEU 135 -9.923 -0.902 -10.556 1073 HD13 LEU 135 3HD1 LEU 135 -11.226 -2.077 -10.369 1074 HD21 LEU 135 3HD2 LEU 135 -8.975 0.237 -8.522 1075 HD22 LEU 135 1HD2 LEU 135 -8.555 -1.364 -7.911 1076 HD23 LEU 135 2HD2 LEU 135 -9.520 -0.268 -6.922 1077 H LYS 136 HN LYS 136 -11.899 2.955 -7.121 1078 HA LYS 136 HA LYS 136 -14.671 3.426 -7.986 1079 HB2 LYS 136 2HB LYS 136 -13.084 4.850 -5.866 1080 HB3 LYS 136 1HB LYS 136 -14.450 5.621 -6.664 1081 HG2 LYS 136 2HG LYS 136 -14.521 3.066 -5.068 1082 HG3 LYS 136 1HG LYS 136 -15.154 4.638 -4.573 1083 HD2 LYS 136 2HD LYS 136 -16.116 3.023 -6.937 1084 HD3 LYS 136 1HD LYS 136 -16.932 3.141 -5.377 1085 HE2 LYS 136 2HE LYS 136 -17.350 5.470 -5.687 1086 HE3 LYS 136 1HE LYS 136 -16.318 5.524 -7.115 1087 HZ1 LYS 136 3HZ LYS 136 -17.874 4.144 -8.292 1088 HZ2 LYS 136 1HZ LYS 136 -18.693 5.485 -7.660 1089 HZ3 LYS 136 2HZ LYS 136 -18.847 3.970 -6.910 1090 H GLU 137 HN GLU 137 -15.056 5.182 -9.322 1091 HA GLU 137 HA GLU 137 -13.063 5.701 -11.244 1092 HB2 GLU 137 2HB GLU 137 -15.578 7.291 -10.781 1093 HB3 GLU 137 1HB GLU 137 -14.695 7.113 -12.275 1094 HG2 GLU 137 2HG GLU 137 -16.418 5.680 -12.667 1095 HG3 GLU 137 1HG GLU 137 -15.269 4.567 -11.927 1096 H GLU 138 HN GLU 138 -14.134 7.341 -8.462 1097 HA GLU 138 HA GLU 138 -11.896 9.161 -8.499 1098 HB2 GLU 138 2HB GLU 138 -13.591 10.336 -9.870 1099 HB3 GLU 138 1HB GLU 138 -14.736 10.219 -8.543 1100 HG2 GLU 138 2HG GLU 138 -13.294 11.617 -7.167 1101 HG3 GLU 138 1HG GLU 138 -12.134 11.726 -8.489 1102 H LEU 139 HN LEU 139 -11.696 10.324 -6.435 1103 HA LEU 139 HA LEU 139 -12.322 8.680 -4.213 1104 HB2 LEU 139 2HB LEU 139 -11.247 11.486 -4.417 1105 HB3 LEU 139 1HB LEU 139 -11.453 10.656 -2.888 1106 HG LEU 139 HG LEU 139 -9.714 9.619 -5.120 1107 HD11 LEU 139 1HD1 LEU 139 -8.878 11.775 -4.322 1108 HD12 LEU 139 2HD1 LEU 139 -7.822 10.451 -3.829 1109 HD13 LEU 139 3HD1 LEU 139 -8.927 11.181 -2.664 1110 HD21 LEU 139 3HD2 LEU 139 -8.778 8.212 -3.353 1111 HD22 LEU 139 1HD2 LEU 139 -10.506 7.923 -3.563 1112 HD23 LEU 139 2HD2 LEU 139 -9.932 8.888 -2.204 1113 H GLU 140 HN GLU 140 -13.870 8.841 -2.667 1114 HA GLU 140 HA GLU 140 -16.081 10.660 -3.183 1115 HB2 GLU 140 2HB GLU 140 -17.304 9.401 -1.510 1116 HB3 GLU 140 1HB GLU 140 -16.544 8.283 -2.632 1117 HG2 GLU 140 2HG GLU 140 -14.840 7.741 -1.036 1118 HG3 GLU 140 1HG GLU 140 -15.413 8.995 0.066 1119 H HIS 141 HN HIS 141 -16.791 12.229 -1.718 1120 HA HIS 141 HA HIS 141 -15.010 12.733 0.569 1121 HB2 HIS 141 2HB HIS 141 -15.715 14.575 -1.649 1122 HB3 HIS 141 1HB HIS 141 -15.694 15.259 -0.028 1123 HD1 HIS 141 1HD HIS 141 -13.223 12.579 -0.893 1124 HD2 HIS 141 2HD HIS 141 -13.384 16.728 -0.591 1125 HE1 HIS 141 1HE HIS 141 -10.832 13.361 -0.986 1126 HE2 HIS 141 2HE HIS 141 -10.944 15.869 -0.750 1127 H HIS 142 HN HIS 142 -16.012 14.398 2.066 1128 HA HIS 142 HA HIS 142 -18.264 13.188 3.169 1129 HB2 HIS 142 2HB HIS 142 -18.272 15.097 4.763 1130 HB3 HIS 142 1HB HIS 142 -16.693 14.346 4.572 1131 HD1 HIS 142 1HD HIS 142 -14.813 15.773 3.530 1132 HD2 HIS 142 2HD HIS 142 -18.466 17.744 3.808 1133 HE1 HIS 142 1HE HIS 142 -14.314 18.198 3.090 1134 HE2 HIS 142 2HE HIS 142 -16.568 19.326 3.040 1135 H HIS 143 HN HIS 143 -20.306 13.264 2.616 1136 HA HIS 143 HA HIS 143 -21.459 15.887 1.930 1137 HB2 HIS 143 2HB HIS 143 -22.303 13.156 0.926 1138 HB3 HIS 143 1HB HIS 143 -23.326 14.579 0.804 1139 HD1 HIS 143 1HD HIS 143 -22.167 16.631 -0.628 1140 HD2 HIS 143 2HD HIS 143 -20.672 12.788 -1.205 1141 HE1 HIS 143 1HE HIS 143 -20.951 16.696 -2.825 1142 HE2 HIS 143 2HE HIS 143 -20.179 14.334 -3.225 1143 H HIS 144 HN HIS 144 -22.022 16.459 3.985 1144 HA HIS 144 HA HIS 144 -22.804 14.481 5.878 1145 HB2 HIS 144 2HB HIS 144 -23.162 16.472 7.417 1146 HB3 HIS 144 1HB HIS 144 -21.535 16.212 6.813 1147 HD1 HIS 144 1HD HIS 144 -20.411 18.233 5.955 1148 HD2 HIS 144 2HD HIS 144 -24.555 18.612 5.855 1149 HE1 HIS 144 1HE HIS 144 -20.862 20.574 5.163 1150 HE2 HIS 144 2HE HIS 144 -23.364 20.725 4.948 1151 H HIS 145 HN HIS 145 -24.655 13.562 5.880 1152 HA HIS 145 HA HIS 145 -26.835 13.231 6.340 1153 HB2 HIS 145 2HB HIS 145 -26.448 15.166 7.908 1154 HB3 HIS 145 1HB HIS 145 -27.107 16.220 6.664 1155 HD1 HIS 145 1HD HIS 145 -29.666 16.110 6.247 1156 HD2 HIS 145 2HD HIS 145 -28.307 13.596 9.264 1157 HE1 HIS 145 1HE HIS 145 -31.721 15.374 7.487 1158 HE2 HIS 145 2HE HIS 145 -30.844 14.075 9.460 1159 H HIS 146 HN HIS 146 -28.546 12.819 5.101 1160 HA HIS 146 HA HIS 146 -28.999 14.418 2.703 1161 HB2 HIS 146 2HB HIS 146 -30.061 11.777 3.678 1162 HB3 HIS 146 1HB HIS 146 -30.892 12.656 2.398 1163 HD1 HIS 146 1HD HIS 146 -29.925 12.540 0.086 1164 HD2 HIS 146 2HD HIS 146 -27.424 10.888 2.967 1165 HE1 HIS 146 1HE HIS 146 -28.112 11.354 -1.191 1166 HE2 HIS 146 2HE HIS 146 -26.737 10.194 0.570 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -13.195 -3.580 5.114 2 H2 MET 1 H2 MET 1 -14.578 -4.372 4.556 3 H3 MET 1 H3 MET 1 -14.490 -2.683 4.500 4 HA MET 1 HA MET 1 -12.760 -4.549 2.986 5 HB2 MET 1 2HB MET 1 -14.007 -4.094 1.057 6 HB3 MET 1 1HB MET 1 -15.234 -4.316 2.294 7 HG2 MET 1 2HG MET 1 -14.232 -1.670 1.263 8 HG3 MET 1 1HG MET 1 -15.748 -2.445 0.816 9 HE1 MET 1 2HE MET 1 -15.476 0.551 1.881 10 HE2 MET 1 3HE MET 1 -16.830 0.647 3.007 11 HE3 MET 1 1HE MET 1 -17.031 -0.160 1.452 12 H ILE 2 HN ILE 2 -11.629 -3.325 1.194 13 HA ILE 2 HA ILE 2 -10.846 -0.649 2.153 14 HB ILE 2 HB ILE 2 -8.918 -2.007 2.327 15 HG12 ILE 2 2HG1 ILE 2 -8.809 -0.485 -0.286 16 HG13 ILE 2 1HG1 ILE 2 -8.458 0.155 1.315 17 HG21 ILE 2 1HG2 ILE 2 -9.716 -3.904 1.004 18 HG22 ILE 2 2HG2 ILE 2 -8.068 -3.448 0.574 19 HG23 ILE 2 3HG2 ILE 2 -9.412 -2.994 -0.475 20 HD11 ILE 2 3HD1 ILE 2 -6.443 -0.287 -0.003 21 HD12 ILE 2 1HD1 ILE 2 -6.879 -1.993 -0.072 22 HD13 ILE 2 2HD1 ILE 2 -6.500 -1.244 1.478 23 H THR 3 HN THR 3 -11.153 1.030 0.838 24 HA THR 3 HA THR 3 -11.973 0.450 -1.931 25 HB THR 3 HB THR 3 -12.731 2.887 -0.312 26 HG1 THR 3 1HG THR 3 -14.208 1.684 0.598 27 HG21 THR 3 3HG2 THR 3 -13.878 1.701 -2.844 28 HG22 THR 3 1HG2 THR 3 -12.866 3.142 -2.750 29 HG23 THR 3 2HG2 THR 3 -14.471 3.141 -2.018 30 H LEU 4 HN LEU 4 -10.701 1.206 -3.488 31 HA LEU 4 HA LEU 4 -9.353 3.753 -3.122 32 HB2 LEU 4 2HB LEU 4 -7.232 2.876 -4.094 33 HB3 LEU 4 1HB LEU 4 -7.577 2.328 -2.473 34 HG LEU 4 HG LEU 4 -8.535 0.213 -3.693 35 HD11 LEU 4 1HD1 LEU 4 -8.348 1.097 -5.952 36 HD12 LEU 4 2HD1 LEU 4 -7.313 -0.315 -5.744 37 HD13 LEU 4 3HD1 LEU 4 -6.610 1.303 -5.743 38 HD21 LEU 4 3HD2 LEU 4 -6.308 -0.813 -3.575 39 HD22 LEU 4 1HD2 LEU 4 -6.655 0.190 -2.167 40 HD23 LEU 4 2HD2 LEU 4 -5.587 0.792 -3.434 41 H THR 5 HN THR 5 -8.360 4.453 -5.294 42 HA THR 5 HA THR 5 -10.545 3.977 -7.190 43 HB THR 5 HB THR 5 -10.107 6.116 -8.142 44 HG1 THR 5 1HG THR 5 -8.162 7.190 -6.786 45 HG21 THR 5 3HG2 THR 5 -9.790 6.261 -5.142 46 HG22 THR 5 1HG2 THR 5 -11.309 6.228 -6.040 47 HG23 THR 5 2HG2 THR 5 -10.232 7.619 -6.176 48 H LYS 6 HN LYS 6 -9.995 4.100 -9.511 49 HA LYS 6 HA LYS 6 -8.246 2.095 -10.298 50 HB2 LYS 6 2HB LYS 6 -10.157 3.213 -11.585 51 HB3 LYS 6 1HB LYS 6 -8.992 4.446 -12.026 52 HG2 LYS 6 2HG LYS 6 -7.569 2.612 -12.994 53 HG3 LYS 6 1HG LYS 6 -8.947 1.532 -12.758 54 HD2 LYS 6 2HD LYS 6 -8.876 4.032 -14.444 55 HD3 LYS 6 1HD LYS 6 -8.951 2.369 -15.025 56 HE2 LYS 6 2HE LYS 6 -11.140 2.087 -14.038 57 HE3 LYS 6 1HE LYS 6 -11.057 3.700 -13.330 58 HZ1 LYS 6 3HZ LYS 6 -11.019 4.644 -15.540 59 HZ2 LYS 6 1HZ LYS 6 -12.390 3.662 -15.354 60 HZ3 LYS 6 2HZ LYS 6 -11.056 3.097 -16.237 61 H LYS 7 HN LYS 7 -7.803 5.590 -10.263 62 HA LYS 7 HA LYS 7 -5.300 5.705 -11.498 63 HB2 LYS 7 2HB LYS 7 -7.035 7.548 -10.906 64 HB3 LYS 7 1HB LYS 7 -6.174 7.644 -9.379 65 HG2 LYS 7 2HG LYS 7 -4.613 7.820 -11.901 66 HG3 LYS 7 1HG LYS 7 -5.579 9.200 -11.391 67 HD2 LYS 7 2HD LYS 7 -3.528 7.827 -9.660 68 HD3 LYS 7 1HD LYS 7 -3.214 9.279 -10.613 69 HE2 LYS 7 2HE LYS 7 -4.947 10.473 -9.367 70 HE3 LYS 7 1HE LYS 7 -5.281 9.019 -8.427 71 HZ1 LYS 7 3HZ LYS 7 -3.864 10.509 -7.200 72 HZ2 LYS 7 1HZ LYS 7 -2.725 10.541 -8.454 73 HZ3 LYS 7 2HZ LYS 7 -2.997 9.106 -7.585 74 H GLN 8 HN GLN 8 -6.180 5.318 -8.077 75 HA GLN 8 HA GLN 8 -3.553 5.510 -7.019 76 HB2 GLN 8 2HB GLN 8 -5.816 3.823 -5.913 77 HB3 GLN 8 1HB GLN 8 -4.461 4.490 -5.021 78 HG2 GLN 8 2HG GLN 8 -6.747 6.008 -6.246 79 HG3 GLN 8 1HG GLN 8 -6.450 5.733 -4.534 80 HE21 GLN 8 1HE2 GLN 8 -4.826 6.878 -3.505 81 HE22 GLN 8 2HE2 GLN 8 -4.147 8.313 -4.187 82 H MET 9 HN MET 9 -5.486 2.783 -8.195 83 HA MET 9 HA MET 9 -3.613 0.756 -7.615 84 HB2 MET 9 2HB MET 9 -5.966 0.291 -8.196 85 HB3 MET 9 1HB MET 9 -5.673 0.866 -9.832 86 HG2 MET 9 2HG MET 9 -5.677 -1.564 -9.736 87 HG3 MET 9 1HG MET 9 -4.096 -0.946 -10.208 88 HE1 MET 9 3HE MET 9 -5.078 -2.518 -5.980 89 HE2 MET 9 1HE MET 9 -6.226 -2.563 -7.320 90 HE3 MET 9 2HE MET 9 -5.720 -1.015 -6.643 91 H GLU 10 HN GLU 10 -4.214 2.651 -10.559 92 HA GLU 10 HA GLU 10 -2.223 1.638 -12.189 93 HB2 GLU 10 2HB GLU 10 -3.439 4.391 -11.942 94 HB3 GLU 10 1HB GLU 10 -2.372 3.929 -13.243 95 HG2 GLU 10 2HG GLU 10 -4.909 2.461 -12.636 96 HG3 GLU 10 1HG GLU 10 -4.833 3.840 -13.728 97 H GLU 11 HN GLU 11 -2.078 4.130 -9.689 98 HA GLU 11 HA GLU 11 0.558 4.993 -10.170 99 HB2 GLU 11 2HB GLU 11 -1.416 5.196 -7.952 100 HB3 GLU 11 1HB GLU 11 0.244 5.609 -7.598 101 HG2 GLU 11 2HG GLU 11 0.133 7.165 -9.598 102 HG3 GLU 11 1HG GLU 11 -1.607 6.879 -9.580 103 H MET 12 HN MET 12 -0.750 2.560 -7.934 104 HA MET 12 HA MET 12 1.780 1.835 -6.861 105 HB2 MET 12 2HB MET 12 -0.846 0.337 -6.982 106 HB3 MET 12 1HB MET 12 0.566 -0.246 -6.112 107 HG2 MET 12 2HG MET 12 0.515 1.790 -4.723 108 HG3 MET 12 1HG MET 12 -0.950 2.295 -5.562 109 HE1 MET 12 3HE MET 12 -2.463 -0.465 -5.946 110 HE2 MET 12 1HE MET 12 -3.286 0.986 -5.378 111 HE3 MET 12 2HE MET 12 -3.467 -0.531 -4.497 112 H LEU 13 HN LEU 13 -0.191 0.622 -9.522 113 HA LEU 13 HA LEU 13 1.390 -1.576 -10.245 114 HB2 LEU 13 2HB LEU 13 -0.410 0.204 -11.876 115 HB3 LEU 13 1HB LEU 13 0.342 -1.239 -12.519 116 HG LEU 13 HG LEU 13 -1.659 -1.104 -10.266 117 HD11 LEU 13 1HD1 LEU 13 -3.099 -2.330 -11.800 118 HD12 LEU 13 2HD1 LEU 13 -1.844 -2.272 -13.038 119 HD13 LEU 13 3HD1 LEU 13 -2.611 -0.781 -12.489 120 HD21 LEU 13 3HD2 LEU 13 -1.571 -3.547 -10.265 121 HD22 LEU 13 1HD2 LEU 13 -0.008 -2.851 -9.839 122 HD23 LEU 13 2HD2 LEU 13 -0.270 -3.506 -11.455 123 H ALA 14 HN ALA 14 1.515 1.809 -11.290 124 HA ALA 14 HA ALA 14 3.511 1.566 -13.227 125 HB1 ALA 14 1HB ALA 14 3.884 3.963 -12.912 126 HB2 ALA 14 2HB ALA 14 2.954 3.911 -11.414 127 HB3 ALA 14 3HB ALA 14 2.164 3.579 -12.955 128 H HIS 15 HN HIS 15 3.798 2.240 -9.741 129 HA HIS 15 HA HIS 15 6.624 2.425 -9.734 130 HB2 HIS 15 2HB HIS 15 5.096 3.225 -7.896 131 HB3 HIS 15 1HB HIS 15 4.876 1.546 -7.427 132 HD1 HIS 15 1HD HIS 15 7.708 4.070 -7.786 133 HD2 HIS 15 2HD HIS 15 6.717 0.636 -5.644 134 HE1 HIS 15 1HE HIS 15 9.565 3.745 -6.117 135 HE2 HIS 15 2HE HIS 15 8.838 1.791 -4.706 136 H ALA 16 HN ALA 16 4.397 -0.265 -9.237 137 HA ALA 16 HA ALA 16 6.308 -2.171 -8.425 138 HB1 ALA 16 1HB ALA 16 3.890 -2.433 -8.086 139 HB2 ALA 16 2HB ALA 16 4.606 -3.830 -8.891 140 HB3 ALA 16 3HB ALA 16 3.680 -2.655 -9.824 141 H ARG 17 HN ARG 17 4.860 -1.574 -11.627 142 HA ARG 17 HA ARG 17 6.270 -3.632 -12.944 143 HB2 ARG 17 2HB ARG 17 5.408 -2.741 -14.970 144 HB3 ARG 17 1HB ARG 17 4.171 -2.503 -13.744 145 HG2 ARG 17 2HG ARG 17 5.164 -0.168 -13.468 146 HG3 ARG 17 1HG ARG 17 5.981 -0.488 -14.994 147 HD2 ARG 17 2HD ARG 17 3.008 -0.466 -14.496 148 HD3 ARG 17 1HD ARG 17 3.931 0.722 -15.412 149 HE ARG 17 HE ARG 17 3.427 -2.062 -16.254 150 HH11 ARG 17 1HH1 ARG 17 4.245 1.261 -16.998 151 HH12 ARG 17 2HH1 ARG 17 4.072 1.050 -18.719 152 HH21 ARG 17 1HH2 ARG 17 3.148 -2.335 -18.486 153 HH22 ARG 17 2HH2 ARG 17 3.422 -1.000 -19.570 154 H GLN 18 HN GLN 18 7.044 -0.288 -12.295 155 HA GLN 18 HA GLN 18 9.293 -0.160 -14.041 156 HB2 GLN 18 2HB GLN 18 7.968 1.799 -13.240 157 HB3 GLN 18 1HB GLN 18 8.659 1.561 -11.645 158 HG2 GLN 18 2HG GLN 18 10.828 2.091 -12.404 159 HG3 GLN 18 1HG GLN 18 10.324 2.041 -14.093 160 HE21 GLN 18 1HE2 GLN 18 9.161 3.763 -14.945 161 HE22 GLN 18 2HE2 GLN 18 9.056 5.293 -14.150 162 H ALA 19 HN ALA 19 8.789 -1.094 -10.719 163 HA ALA 19 HA ALA 19 11.556 -0.992 -9.984 164 HB1 ALA 19 1HB ALA 19 9.267 -2.359 -8.577 165 HB2 ALA 19 2HB ALA 19 9.777 -0.688 -8.334 166 HB3 ALA 19 3HB ALA 19 10.857 -2.013 -7.898 167 H LEU 20 HN LEU 20 9.574 -3.330 -11.536 168 HA LEU 20 HA LEU 20 10.734 -5.734 -10.823 169 HB2 LEU 20 2HB LEU 20 9.671 -4.854 -13.505 170 HB3 LEU 20 1HB LEU 20 10.039 -6.514 -13.087 171 HG LEU 20 HG LEU 20 7.933 -4.789 -11.780 172 HD11 LEU 20 1HD1 LEU 20 6.362 -6.359 -12.814 173 HD12 LEU 20 2HD1 LEU 20 7.704 -7.160 -13.630 174 HD13 LEU 20 3HD1 LEU 20 7.307 -5.487 -14.021 175 HD21 LEU 20 3HD2 LEU 20 8.957 -6.349 -10.197 176 HD22 LEU 20 1HD2 LEU 20 8.646 -7.683 -11.308 177 HD23 LEU 20 2HD2 LEU 20 7.297 -6.812 -10.577 178 HA PRO 21 HA PRO 21 11.313 -7.618 -11.780 179 HB2 PRO 21 2HB PRO 21 13.553 -9.256 -11.488 180 HB3 PRO 21 1HB PRO 21 12.564 -9.102 -12.940 181 HG2 PRO 21 2HG PRO 21 15.262 -8.290 -12.599 182 HG3 PRO 21 1HG PRO 21 14.224 -8.007 -14.003 183 HD2 PRO 21 2HD PRO 21 14.934 -6.186 -11.778 184 HD3 PRO 21 1HD PRO 21 14.471 -5.805 -13.450 185 H ASN 22 HN ASN 22 12.663 -5.537 -9.937 186 HA ASN 22 HA ASN 22 13.277 -7.181 -7.614 187 HB2 ASN 22 2HB ASN 22 13.055 -4.164 -7.824 188 HB3 ASN 22 1HB ASN 22 13.736 -5.066 -6.476 189 HD21 ASN 22 1HD2 ASN 22 14.223 -3.899 -9.691 190 HD22 ASN 22 2HD2 ASN 22 15.912 -4.279 -9.800 191 H GLU 23 HN GLU 23 12.119 -5.753 -5.556 192 HA GLU 23 HA GLU 23 9.273 -6.184 -6.066 193 HB2 GLU 23 2HB GLU 23 8.964 -6.505 -3.756 194 HB3 GLU 23 1HB GLU 23 10.476 -7.318 -4.106 195 HG2 GLU 23 2HG GLU 23 11.004 -6.244 -2.170 196 HG3 GLU 23 1HG GLU 23 11.519 -5.039 -3.351 197 H ALA 24 HN ALA 24 7.813 -4.569 -4.900 198 HA ALA 24 HA ALA 24 8.961 -1.875 -5.046 199 HB1 ALA 24 1HB ALA 24 7.825 -2.357 -7.173 200 HB2 ALA 24 2HB ALA 24 7.037 -1.060 -6.274 201 HB3 ALA 24 3HB ALA 24 6.334 -2.676 -6.284 202 H CYS 25 HN CYS 25 8.747 -1.040 -3.106 203 HA CYS 25 HA CYS 25 6.260 -1.532 -1.624 204 HB2 CYS 25 2HB CYS 25 7.655 -0.978 0.418 205 HB3 CYS 25 1HB CYS 25 8.051 -2.490 -0.394 206 HG CYS 25 HG CYS 25 10.429 -1.833 -1.297 207 H GLY 26 HN GLY 26 5.770 0.226 -0.030 208 HA2 GLY 26 2HA GLY 26 6.658 2.853 -0.290 209 HA3 GLY 26 1HA GLY 26 5.297 2.645 -1.390 210 H LEU 27 HN LEU 27 4.276 4.265 0.052 211 HA LEU 27 HA LEU 27 3.147 2.937 2.436 212 HB2 LEU 27 2HB LEU 27 3.829 5.861 2.076 213 HB3 LEU 27 1HB LEU 27 2.953 5.204 3.446 214 HG LEU 27 HG LEU 27 5.791 4.488 2.703 215 HD11 LEU 27 1HD1 LEU 27 4.724 6.252 4.899 216 HD12 LEU 27 2HD1 LEU 27 5.596 6.794 3.465 217 HD13 LEU 27 3HD1 LEU 27 6.411 5.792 4.666 218 HD21 LEU 27 3HD2 LEU 27 4.111 3.775 5.107 219 HD22 LEU 27 1HD2 LEU 27 5.830 3.431 4.926 220 HD23 LEU 27 2HD2 LEU 27 4.661 2.667 3.848 221 H LEU 28 HN LEU 28 0.994 3.468 2.965 222 HA LEU 28 HA LEU 28 -0.571 4.509 0.695 223 HB2 LEU 28 2HB LEU 28 -1.340 2.440 2.759 224 HB3 LEU 28 1HB LEU 28 -2.409 3.068 1.521 225 HG LEU 28 HG LEU 28 0.125 1.525 0.971 226 HD11 LEU 28 1HD1 LEU 28 -1.380 -0.301 0.346 227 HD12 LEU 28 2HD1 LEU 28 -2.757 0.652 0.904 228 HD13 LEU 28 3HD1 LEU 28 -1.528 0.120 2.052 229 HD21 LEU 28 3HD2 LEU 28 -0.499 3.082 -0.810 230 HD22 LEU 28 1HD2 LEU 28 -2.120 2.391 -0.847 231 HD23 LEU 28 2HD2 LEU 28 -0.731 1.407 -1.311 232 H GLY 29 HN GLY 29 -1.802 6.243 1.073 233 HA2 GLY 29 2HA GLY 29 -2.265 6.980 3.895 234 HA3 GLY 29 1HA GLY 29 -1.834 8.162 2.664 235 H GLY 30 HN GLY 30 -4.231 7.765 4.445 236 HA2 GLY 30 2HA GLY 30 -6.148 8.845 2.764 237 HA3 GLY 30 1HA GLY 30 -6.419 7.106 2.759 238 H ARG 31 HN ARG 31 -8.469 7.537 3.738 239 HA ARG 31 HA ARG 31 -8.235 8.231 6.586 240 HB2 ARG 31 2HB ARG 31 -10.480 8.703 4.642 241 HB3 ARG 31 1HB ARG 31 -10.734 8.740 6.381 242 HG2 ARG 31 2HG ARG 31 -9.048 10.530 6.556 243 HG3 ARG 31 1HG ARG 31 -8.900 10.522 4.796 244 HD2 ARG 31 2HD ARG 31 -10.391 12.299 5.558 245 HD3 ARG 31 1HD ARG 31 -11.249 11.111 4.580 246 HE ARG 31 HE ARG 31 -12.117 10.196 6.702 247 HH11 ARG 31 1HH1 ARG 31 -10.835 13.449 6.678 248 HH12 ARG 31 2HH1 ARG 31 -11.825 13.985 8.002 249 HH21 ARG 31 1HH2 ARG 31 -13.423 10.896 8.480 250 HH22 ARG 31 2HH2 ARG 31 -13.270 12.544 9.031 251 H ARG 32 HN ARG 32 -8.779 6.755 8.015 252 HA ARG 32 HA ARG 32 -10.666 4.661 7.185 253 HB2 ARG 32 2HB ARG 32 -9.867 3.336 9.091 254 HB3 ARG 32 1HB ARG 32 -8.542 3.742 8.018 255 HG2 ARG 32 2HG ARG 32 -7.928 5.586 9.572 256 HG3 ARG 32 1HG ARG 32 -9.171 4.999 10.679 257 HD2 ARG 32 2HD ARG 32 -7.997 2.759 10.595 258 HD3 ARG 32 1HD ARG 32 -6.674 3.582 9.768 259 HE ARG 32 HE ARG 32 -7.595 4.305 12.478 260 HH11 ARG 32 1HH1 ARG 32 -5.034 3.836 10.140 261 HH12 ARG 32 2HH1 ARG 32 -3.760 4.174 11.269 262 HH21 ARG 32 1HH2 ARG 32 -5.924 4.720 13.977 263 HH22 ARG 32 2HH2 ARG 32 -4.266 4.661 13.457 264 H ASP 33 HN ASP 33 -12.664 4.849 7.994 265 HA ASP 33 HA ASP 33 -13.007 6.913 10.087 266 HB2 ASP 33 2HB ASP 33 -13.496 7.524 7.584 267 HB3 ASP 33 1HB ASP 33 -14.993 6.637 7.859 268 H GLY 34 HN GLY 34 -12.923 4.418 10.894 269 HA2 GLY 34 2HA GLY 34 -14.107 2.911 12.161 270 HA3 GLY 34 1HA GLY 34 -15.536 3.906 11.909 271 H ASP 35 HN ASP 35 -13.707 1.220 10.855 272 HA ASP 35 HA ASP 35 -14.320 -0.675 9.757 273 HB2 ASP 35 2HB ASP 35 -16.631 -0.128 10.664 274 HB3 ASP 35 1HB ASP 35 -16.967 0.597 9.100 275 H ASP 36 HN ASP 36 -15.223 2.356 8.139 276 HA ASP 36 HA ASP 36 -14.594 1.171 5.552 277 HB2 ASP 36 2HB ASP 36 -15.381 3.995 6.190 278 HB3 ASP 36 1HB ASP 36 -15.150 3.356 4.586 279 H ARG 37 HN ARG 37 -12.987 1.685 4.318 280 HA ARG 37 HA ARG 37 -10.766 3.286 5.338 281 HB2 ARG 37 2HB ARG 37 -10.344 0.948 5.916 282 HB3 ARG 37 1HB ARG 37 -10.629 0.463 4.253 283 HG2 ARG 37 2HG ARG 37 -8.659 1.740 3.556 284 HG3 ARG 37 1HG ARG 37 -8.376 2.178 5.242 285 HD2 ARG 37 2HD ARG 37 -8.129 -0.169 5.832 286 HD3 ARG 37 1HD ARG 37 -8.475 -0.640 4.171 287 HE ARG 37 HE ARG 37 -6.151 1.067 4.681 288 HH11 ARG 37 1HH1 ARG 37 -7.479 -2.038 3.799 289 HH12 ARG 37 2HH1 ARG 37 -5.970 -2.697 3.263 290 HH21 ARG 37 1HH2 ARG 37 -4.128 0.213 3.988 291 HH22 ARG 37 2HH2 ARG 37 -4.054 -1.401 3.367 292 H TRP 38 HN TRP 38 -10.297 4.790 3.825 293 HA TRP 38 HA TRP 38 -10.599 4.002 0.998 294 HB2 TRP 38 2HB TRP 38 -10.928 6.772 2.164 295 HB3 TRP 38 1HB TRP 38 -11.093 6.339 0.467 296 HD1 TRP 38 1HD TRP 38 -13.254 4.677 -0.115 297 HE1 TRP 38 1HE TRP 38 -15.597 4.653 0.964 298 HE3 TRP 38 3HE TRP 38 -12.162 7.114 4.236 299 HZ2 TRP 38 2HZ TRP 38 -16.814 5.565 3.338 300 HZ3 TRP 38 3HZ TRP 38 -13.972 7.509 5.850 301 HH2 TRP 38 2HH TRP 38 -16.247 6.746 5.415 302 H VAL 39 HN VAL 39 -8.764 3.945 -0.114 303 HA VAL 39 HA VAL 39 -6.386 5.279 0.917 304 HB VAL 39 HB VAL 39 -6.660 3.636 -1.611 305 HG11 VAL 39 1HG1 VAL 39 -4.242 4.505 -0.025 306 HG12 VAL 39 2HG1 VAL 39 -4.711 5.072 -1.628 307 HG13 VAL 39 3HG1 VAL 39 -4.209 3.397 -1.397 308 HG21 VAL 39 3HG2 VAL 39 -7.262 2.284 0.321 309 HG22 VAL 39 1HG2 VAL 39 -5.780 2.769 1.144 310 HG23 VAL 39 2HG2 VAL 39 -5.695 1.783 -0.316 311 H GLU 40 HN GLU 40 -6.541 7.438 0.574 312 HA GLU 40 HA GLU 40 -7.648 8.349 -1.978 313 HB2 GLU 40 2HB GLU 40 -7.186 9.920 0.559 314 HB3 GLU 40 1HB GLU 40 -8.072 10.464 -0.861 315 HG2 GLU 40 2HG GLU 40 -9.666 8.573 -0.487 316 HG3 GLU 40 1HG GLU 40 -8.838 8.254 1.035 317 H ARG 41 HN ARG 41 -4.656 7.996 -0.438 318 HA ARG 41 HA ARG 41 -3.420 9.347 -2.689 319 HB2 ARG 41 2HB ARG 41 -1.908 10.701 -1.403 320 HB3 ARG 41 1HB ARG 41 -3.551 11.096 -0.925 321 HG2 ARG 41 2HG ARG 41 -3.242 9.563 1.029 322 HG3 ARG 41 1HG ARG 41 -1.539 9.457 0.590 323 HD2 ARG 41 2HD ARG 41 -3.039 11.985 1.270 324 HD3 ARG 41 1HD ARG 41 -1.906 11.142 2.323 325 HE ARG 41 HE ARG 41 -0.530 11.684 -0.016 326 HH11 ARG 41 1HH1 ARG 41 -2.160 13.598 2.437 327 HH12 ARG 41 2HH1 ARG 41 -1.075 14.941 2.279 328 HH21 ARG 41 1HH2 ARG 41 0.880 13.446 -0.204 329 HH22 ARG 41 2HH2 ARG 41 0.670 14.852 0.803 330 H VAL 42 HN VAL 42 -1.294 8.672 -3.098 331 HA VAL 42 HA VAL 42 -0.490 6.231 -1.664 332 HB VAL 42 HB VAL 42 -0.435 6.610 -4.673 333 HG11 VAL 42 1HG1 VAL 42 1.456 5.290 -3.873 334 HG12 VAL 42 2HG1 VAL 42 0.311 4.292 -4.769 335 HG13 VAL 42 3HG1 VAL 42 0.349 4.222 -3.007 336 HG21 VAL 42 3HG2 VAL 42 -2.689 6.212 -3.818 337 HG22 VAL 42 1HG2 VAL 42 -2.118 4.767 -2.985 338 HG23 VAL 42 2HG2 VAL 42 -2.099 4.834 -4.748 339 H TYR 43 HN TYR 43 1.650 6.031 -1.235 340 HA TYR 43 HA TYR 43 3.434 8.050 -2.413 341 HB2 TYR 43 2HB TYR 43 3.059 7.247 0.406 342 HB3 TYR 43 1HB TYR 43 4.726 7.461 -0.117 343 HD1 TYR 43 2HD TYR 43 5.385 9.668 -1.158 344 HD2 TYR 43 1HD TYR 43 1.701 9.110 0.899 345 HE1 TYR 43 2HE TYR 43 5.178 12.103 -0.886 346 HE2 TYR 43 1HE TYR 43 1.487 11.544 1.182 347 HH TYR 43 HH TYR 43 3.514 13.772 -0.486 348 HA PRO 44 HA PRO 44 5.310 4.042 -3.682 349 HB2 PRO 44 2HB PRO 44 6.254 5.789 -5.860 350 HB3 PRO 44 1HB PRO 44 5.440 4.226 -5.955 351 HG2 PRO 44 2HG PRO 44 4.190 6.501 -6.634 352 HG3 PRO 44 1HG PRO 44 3.331 5.168 -5.840 353 HD2 PRO 44 2HD PRO 44 4.364 7.722 -4.672 354 HD3 PRO 44 1HD PRO 44 2.832 6.879 -4.359 355 H LEU 45 HN LEU 45 6.898 3.992 -2.121 356 HA LEU 45 HA LEU 45 8.704 6.241 -1.875 357 HB2 LEU 45 2HB LEU 45 7.537 5.071 0.060 358 HB3 LEU 45 1HB LEU 45 8.657 3.747 -0.188 359 HG LEU 45 HG LEU 45 10.541 5.270 0.262 360 HD11 LEU 45 1HD1 LEU 45 8.379 7.280 0.863 361 HD12 LEU 45 2HD1 LEU 45 9.529 7.351 -0.471 362 HD13 LEU 45 3HD1 LEU 45 10.099 7.491 1.192 363 HD21 LEU 45 3HD2 LEU 45 8.441 5.286 2.423 364 HD22 LEU 45 1HD2 LEU 45 10.178 5.484 2.651 365 HD23 LEU 45 2HD2 LEU 45 9.533 3.948 2.068 366 H ASN 46 HN ASN 46 11.030 5.554 -1.225 367 HA ASN 46 HA ASN 46 12.132 4.325 -3.599 368 HB2 ASN 46 2HB ASN 46 13.054 6.430 -2.779 369 HB3 ASN 46 1HB ASN 46 13.455 5.679 -1.240 370 HD21 ASN 46 1HD2 ASN 46 15.611 5.992 -1.326 371 HD22 ASN 46 2HD2 ASN 46 16.651 5.238 -2.485 372 H ASN 47 HN ASN 47 13.337 2.517 -3.689 373 HA ASN 47 HA ASN 47 13.208 0.666 -1.461 374 HB2 ASN 47 2HB ASN 47 13.925 0.455 -4.369 375 HB3 ASN 47 1HB ASN 47 14.418 -0.808 -3.251 376 HD21 ASN 47 1HD2 ASN 47 12.916 -2.186 -2.423 377 HD22 ASN 47 2HD2 ASN 47 11.272 -2.254 -2.961 378 H LEU 48 HN LEU 48 14.690 1.251 0.052 379 HA LEU 48 HA LEU 48 17.233 2.306 -0.477 380 HB2 LEU 48 2HB LEU 48 15.990 0.984 1.908 381 HB3 LEU 48 1HB LEU 48 17.691 1.407 1.918 382 HG LEU 48 HG LEU 48 16.288 3.100 3.013 383 HD11 LEU 48 1HD1 LEU 48 18.396 3.784 2.033 384 HD12 LEU 48 2HD1 LEU 48 17.195 5.059 1.834 385 HD13 LEU 48 3HD1 LEU 48 17.615 4.024 0.470 386 HD21 LEU 48 3HD2 LEU 48 14.263 2.860 1.686 387 HD22 LEU 48 1HD2 LEU 48 15.099 3.524 0.281 388 HD23 LEU 48 2HD2 LEU 48 14.820 4.534 1.699 389 H ASP 49 HN ASP 49 16.131 -1.022 -0.051 390 HA ASP 49 HA ASP 49 18.795 -1.910 -0.907 391 HB2 ASP 49 2HB ASP 49 16.515 -3.415 0.374 392 HB3 ASP 49 1HB ASP 49 17.836 -4.240 -0.437 393 H GLN 50 HN GLN 50 19.028 -2.092 -2.981 394 HA GLN 50 HA GLN 50 16.798 -2.346 -4.778 395 HB2 GLN 50 2HB GLN 50 18.607 -2.326 -6.529 396 HB3 GLN 50 1HB GLN 50 18.584 -0.923 -5.470 397 HG2 GLN 50 2HG GLN 50 20.360 -2.196 -4.106 398 HG3 GLN 50 1HG GLN 50 20.532 -3.192 -5.549 399 HE21 GLN 50 1HE2 GLN 50 22.372 -1.325 -4.214 400 HE22 GLN 50 2HE2 GLN 50 22.849 -0.189 -5.440 401 H SER 51 HN SER 51 16.712 -4.479 -3.173 402 HA SER 51 HA SER 51 17.178 -6.695 -4.986 403 HB2 SER 51 2HB SER 51 18.356 -6.579 -2.198 404 HB3 SER 51 1HB SER 51 18.265 -8.041 -3.172 405 HG SER 51 HG SER 51 19.365 -6.074 -4.622 406 HA PRO 52 HA PRO 52 13.261 -7.743 -3.185 407 HB2 PRO 52 2HB PRO 52 13.477 -10.437 -4.224 408 HB3 PRO 52 1HB PRO 52 12.494 -9.102 -4.824 409 HG2 PRO 52 2HG PRO 52 14.630 -10.132 -6.178 410 HG3 PRO 52 1HG PRO 52 14.078 -8.455 -6.346 411 HD2 PRO 52 2HD PRO 52 16.351 -9.553 -4.726 412 HD3 PRO 52 1HD PRO 52 16.279 -8.075 -5.712 413 H GLU 53 HN GLU 53 16.118 -8.969 -2.114 414 HA GLU 53 HA GLU 53 14.994 -11.019 -0.378 415 HB2 GLU 53 2HB GLU 53 17.839 -10.022 -0.611 416 HB3 GLU 53 1HB GLU 53 17.307 -11.431 0.292 417 HG2 GLU 53 2HG GLU 53 17.069 -11.101 -2.690 418 HG3 GLU 53 1HG GLU 53 18.321 -12.023 -1.859 419 H HIS 54 HN HIS 54 15.770 -7.700 -0.312 420 HA HIS 54 HA HIS 54 15.652 -7.687 2.634 421 HB2 HIS 54 2HB HIS 54 17.182 -5.812 0.816 422 HB3 HIS 54 1HB HIS 54 16.978 -5.574 2.543 423 HD1 HIS 54 1HD HIS 54 19.765 -5.597 1.867 424 HD2 HIS 54 2HD HIS 54 17.705 -9.185 2.338 425 HE1 HIS 54 1HE HIS 54 21.521 -7.334 2.379 426 HE2 HIS 54 2HE HIS 54 20.263 -9.514 2.515 427 H PHE 55 HN PHE 55 14.414 -6.088 3.589 428 HA PHE 55 HA PHE 55 12.868 -4.379 1.758 429 HB2 PHE 55 2HB PHE 55 11.396 -6.148 2.540 430 HB3 PHE 55 1HB PHE 55 11.864 -5.850 4.211 431 HD1 PHE 55 1HD PHE 55 10.206 -4.265 1.289 432 HD2 PHE 55 2HD PHE 55 10.655 -4.353 5.521 433 HE1 PHE 55 1HE PHE 55 8.343 -2.675 1.520 434 HE2 PHE 55 2HE PHE 55 8.789 -2.769 5.757 435 HZ PHE 55 HZ PHE 55 7.633 -1.925 3.755 436 H SER 56 HN SER 56 13.595 -2.384 2.086 437 HA SER 56 HA SER 56 13.728 -1.392 4.829 438 HB2 SER 56 2HB SER 56 15.963 -0.854 2.882 439 HB3 SER 56 1HB SER 56 15.908 -0.457 4.595 440 HG SER 56 HG SER 56 16.892 -2.626 3.489 441 H MET 57 HN MET 57 12.683 0.425 4.961 442 HA MET 57 HA MET 57 12.766 2.318 2.713 443 HB2 MET 57 2HB MET 57 10.569 1.945 4.768 444 HB3 MET 57 1HB MET 57 10.616 3.233 3.574 445 HG2 MET 57 2HG MET 57 10.499 1.558 1.784 446 HG3 MET 57 1HG MET 57 10.409 0.286 3.001 447 HE1 MET 57 3HE MET 57 8.364 0.045 4.730 448 HE2 MET 57 1HE MET 57 6.998 1.159 4.765 449 HE3 MET 57 2HE MET 57 8.605 1.723 5.220 450 H ASP 58 HN ASP 58 13.479 4.382 3.250 451 HA ASP 58 HA ASP 58 15.044 4.410 5.655 452 HB2 ASP 58 2HB ASP 58 15.792 5.342 3.429 453 HB3 ASP 58 1HB ASP 58 14.672 6.674 3.694 454 HA PRO 59 HA PRO 59 12.255 6.394 8.438 455 HB2 PRO 59 2HB PRO 59 14.697 7.794 9.408 456 HB3 PRO 59 1HB PRO 59 13.503 6.851 10.309 457 HG2 PRO 59 2HG PRO 59 15.897 5.835 9.769 458 HG3 PRO 59 1HG PRO 59 14.441 4.824 9.682 459 HD2 PRO 59 2HD PRO 59 16.035 6.049 7.468 460 HD3 PRO 59 1HD PRO 59 15.253 4.457 7.548 461 H ARG 60 HN ARG 60 14.705 8.428 6.805 462 HA ARG 60 HA ARG 60 13.318 10.843 7.493 463 HB2 ARG 60 2HB ARG 60 14.976 12.014 6.260 464 HB3 ARG 60 1HB ARG 60 15.803 10.680 7.044 465 HG2 ARG 60 2HG ARG 60 15.657 9.420 4.898 466 HG3 ARG 60 1HG ARG 60 15.011 10.882 4.152 467 HD2 ARG 60 2HD ARG 60 17.390 10.703 3.729 468 HD3 ARG 60 1HD ARG 60 17.055 12.086 4.770 469 HE ARG 60 HE ARG 60 17.929 10.838 6.628 470 HH11 ARG 60 1HH1 ARG 60 18.425 9.360 3.491 471 HH12 ARG 60 2HH1 ARG 60 19.752 8.380 4.018 472 HH21 ARG 60 1HH2 ARG 60 19.694 9.552 7.325 473 HH22 ARG 60 2HH2 ARG 60 20.495 8.511 6.183 474 H GLU 61 HN GLU 61 13.403 8.714 4.695 475 HA GLU 61 HA GLU 61 11.855 10.452 3.046 476 HB2 GLU 61 2HB GLU 61 12.385 7.488 2.792 477 HB3 GLU 61 1HB GLU 61 11.618 8.485 1.560 478 HG2 GLU 61 2HG GLU 61 13.752 9.918 1.708 479 HG3 GLU 61 1HG GLU 61 14.456 8.517 2.513 480 H GLN 62 HN GLN 62 11.104 7.776 5.223 481 HA GLN 62 HA GLN 62 8.336 7.649 4.600 482 HB2 GLN 62 2HB GLN 62 9.796 6.901 7.137 483 HB3 GLN 62 1HB GLN 62 8.098 6.575 6.845 484 HG2 GLN 62 2HG GLN 62 8.766 5.211 4.875 485 HG3 GLN 62 1HG GLN 62 10.447 5.443 5.353 486 HE21 GLN 62 1HE2 GLN 62 7.797 5.032 7.613 487 HE22 GLN 62 2HE2 GLN 62 8.300 3.495 8.206 488 H LEU 63 HN LEU 63 10.154 9.341 7.116 489 HA LEU 63 HA LEU 63 7.998 10.365 8.550 490 HB2 LEU 63 2HB LEU 63 10.360 10.328 9.304 491 HB3 LEU 63 1HB LEU 63 10.717 11.619 8.173 492 HG LEU 63 HG LEU 63 9.194 13.114 9.397 493 HD11 LEU 63 1HD1 LEU 63 8.929 10.815 11.328 494 HD12 LEU 63 2HD1 LEU 63 7.656 11.425 10.271 495 HD13 LEU 63 3HD1 LEU 63 8.297 12.445 11.560 496 HD21 LEU 63 3HD2 LEU 63 11.281 11.776 11.112 497 HD22 LEU 63 1HD2 LEU 63 10.573 13.364 11.408 498 HD23 LEU 63 2HD2 LEU 63 11.556 13.092 9.969 499 H THR 64 HN THR 64 9.805 11.808 5.860 500 HA THR 64 HA THR 64 8.473 14.291 5.870 501 HB THR 64 HB THR 64 9.696 12.936 3.459 502 HG1 THR 64 1HG THR 64 11.386 12.909 4.803 503 HG21 THR 64 3HG2 THR 64 9.413 15.851 4.210 504 HG22 THR 64 1HG2 THR 64 8.470 15.005 2.981 505 HG23 THR 64 2HG2 THR 64 10.205 15.229 2.761 506 H ALA 65 HN ALA 65 7.704 11.219 4.303 507 HA ALA 65 HA ALA 65 5.612 12.219 2.663 508 HB1 ALA 65 1HB ALA 65 4.944 9.887 2.409 509 HB2 ALA 65 2HB ALA 65 6.003 9.427 3.741 510 HB3 ALA 65 3HB ALA 65 6.692 10.055 2.243 511 H VAL 66 HN VAL 66 5.683 10.764 5.888 512 HA VAL 66 HA VAL 66 2.894 10.900 6.369 513 HB VAL 66 HB VAL 66 5.142 10.944 8.394 514 HG11 VAL 66 1HG1 VAL 66 2.233 10.189 8.696 515 HG12 VAL 66 2HG1 VAL 66 3.006 11.633 9.351 516 HG13 VAL 66 3HG1 VAL 66 3.468 10.038 9.944 517 HG21 VAL 66 3HG2 VAL 66 5.308 9.014 6.916 518 HG22 VAL 66 1HG2 VAL 66 3.618 8.614 7.227 519 HG23 VAL 66 2HG2 VAL 66 4.801 8.519 8.530 520 H LYS 67 HN LYS 67 5.536 13.156 6.772 521 HA LYS 67 HA LYS 67 4.303 15.085 8.356 522 HB2 LYS 67 2HB LYS 67 6.503 15.163 6.325 523 HB3 LYS 67 1HB LYS 67 5.931 16.652 7.044 524 HG2 LYS 67 2HG LYS 67 6.485 15.827 9.259 525 HG3 LYS 67 1HG LYS 67 6.996 14.286 8.567 526 HD2 LYS 67 2HD LYS 67 8.775 15.391 7.349 527 HD3 LYS 67 1HD LYS 67 8.232 16.965 7.935 528 HE2 LYS 67 2HE LYS 67 8.729 16.289 10.229 529 HE3 LYS 67 1HE LYS 67 9.243 14.701 9.657 530 HZ1 LYS 67 3HZ LYS 67 10.515 17.277 8.912 531 HZ2 LYS 67 1HZ LYS 67 11.025 15.735 8.428 532 HZ3 LYS 67 2HZ LYS 67 11.121 16.190 10.059 533 H ASP 68 HN ASP 68 4.259 14.693 4.818 534 HA ASP 68 HA ASP 68 2.603 16.998 4.409 535 HB2 ASP 68 2HB ASP 68 4.100 15.860 2.663 536 HB3 ASP 68 1HB ASP 68 2.813 14.666 2.513 537 H MET 69 HN MET 69 2.099 13.569 4.781 538 HA MET 69 HA MET 69 -0.578 13.351 4.036 539 HB2 MET 69 2HB MET 69 1.182 11.553 4.609 540 HB3 MET 69 1HB MET 69 0.638 11.747 6.263 541 HG2 MET 69 2HG MET 69 -1.602 11.092 5.648 542 HG3 MET 69 1HG MET 69 -1.127 10.984 3.953 543 HE1 MET 69 3HE MET 69 1.859 9.780 4.411 544 HE2 MET 69 1HE MET 69 0.796 9.253 3.105 545 HE3 MET 69 2HE MET 69 1.545 8.060 4.166 546 H ARG 70 HN ARG 70 0.838 13.919 7.223 547 HA ARG 70 HA ARG 70 -1.566 13.940 8.691 548 HB2 ARG 70 2HB ARG 70 -0.280 14.937 10.483 549 HB3 ARG 70 1HB ARG 70 0.701 13.714 9.686 550 HG2 ARG 70 2HG ARG 70 1.841 15.490 8.419 551 HG3 ARG 70 1HG ARG 70 0.892 16.693 9.291 552 HD2 ARG 70 2HD ARG 70 1.868 15.858 11.410 553 HD3 ARG 70 1HD ARG 70 2.882 14.760 10.471 554 HE ARG 70 HE ARG 70 3.173 17.437 9.569 555 HH11 ARG 70 1HH1 ARG 70 4.126 15.292 12.174 556 HH12 ARG 70 2HH1 ARG 70 5.581 16.179 12.522 557 HH21 ARG 70 1HH2 ARG 70 5.075 18.587 10.020 558 HH22 ARG 70 2HH2 ARG 70 6.136 18.038 11.291 559 H LYS 71 HN LYS 71 -0.081 16.343 6.701 560 HA LYS 71 HA LYS 71 -1.110 18.691 7.858 561 HB2 LYS 71 2HB LYS 71 0.714 18.720 6.270 562 HB3 LYS 71 1HB LYS 71 -0.311 18.039 5.022 563 HG2 LYS 71 2HG LYS 71 -1.692 20.096 5.102 564 HG3 LYS 71 1HG LYS 71 -0.523 20.781 6.236 565 HD2 LYS 71 2HD LYS 71 -0.146 21.470 3.872 566 HD3 LYS 71 1HD LYS 71 1.234 20.638 4.597 567 HE2 LYS 71 2HE LYS 71 0.578 18.566 3.496 568 HE3 LYS 71 1HE LYS 71 -0.839 19.360 2.813 569 HZ1 LYS 71 3HZ LYS 71 1.005 19.176 1.234 570 HZ2 LYS 71 1HZ LYS 71 1.972 20.131 2.249 571 HZ3 LYS 71 2HZ LYS 71 0.582 20.792 1.533 572 H ASN 72 HN ASN 72 -2.381 16.521 5.400 573 HA ASN 72 HA ASN 72 -4.730 18.203 5.007 574 HB2 ASN 72 2HB ASN 72 -3.703 15.730 3.637 575 HB3 ASN 72 1HB ASN 72 -5.324 16.347 3.335 576 HD21 ASN 72 1HD2 ASN 72 -5.593 18.195 2.161 577 HD22 ASN 72 2HD2 ASN 72 -4.310 18.955 1.291 578 H GLY 73 HN GLY 73 -3.942 16.139 7.322 579 HA2 GLY 73 2HA GLY 73 -5.267 15.172 8.945 580 HA3 GLY 73 1HA GLY 73 -6.681 15.645 8.017 581 H TRP 74 HN TRP 74 -4.108 13.765 6.605 582 HA TRP 74 HA TRP 74 -5.892 11.435 6.535 583 HB2 TRP 74 2HB TRP 74 -3.630 12.330 4.781 584 HB3 TRP 74 1HB TRP 74 -4.056 10.627 4.853 585 HD1 TRP 74 1HD TRP 74 -7.078 10.564 4.729 586 HE1 TRP 74 1HE TRP 74 -8.394 11.401 2.679 587 HE3 TRP 74 3HE TRP 74 -3.563 13.703 2.767 588 HZ2 TRP 74 2HZ TRP 74 -7.983 13.184 0.524 589 HZ3 TRP 74 3HZ TRP 74 -4.101 14.938 0.709 590 HH2 TRP 74 2HH TRP 74 -6.263 14.684 -0.390 591 H VAL 75 HN VAL 75 -4.773 9.300 6.692 592 HA VAL 75 HA VAL 75 -2.511 9.376 8.566 593 HB VAL 75 HB VAL 75 -3.520 7.525 9.862 594 HG11 VAL 75 1HG1 VAL 75 -5.235 10.003 9.750 595 HG12 VAL 75 2HG1 VAL 75 -3.739 9.815 10.667 596 HG13 VAL 75 3HG1 VAL 75 -5.159 8.856 11.089 597 HG21 VAL 75 3HG2 VAL 75 -5.011 6.587 8.211 598 HG22 VAL 75 1HG2 VAL 75 -5.959 8.074 8.174 599 HG23 VAL 75 2HG2 VAL 75 -5.941 7.075 9.627 600 H MET 76 HN MET 76 -1.443 7.243 8.762 601 HA MET 76 HA MET 76 -1.015 6.143 6.139 602 HB2 MET 76 2HB MET 76 0.852 6.517 7.721 603 HB3 MET 76 1HB MET 76 0.152 5.328 8.810 604 HG2 MET 76 2HG MET 76 0.462 3.590 7.134 605 HG3 MET 76 1HG MET 76 1.149 4.773 6.026 606 HE1 MET 76 3HE MET 76 3.117 3.451 9.982 607 HE2 MET 76 1HE MET 76 1.627 2.755 9.343 608 HE3 MET 76 2HE MET 76 1.650 4.424 9.913 609 H LEU 77 HN LEU 77 -2.137 4.528 5.301 610 HA LEU 77 HA LEU 77 -3.839 2.909 7.037 611 HB2 LEU 77 2HB LEU 77 -3.661 3.042 4.025 612 HB3 LEU 77 1HB LEU 77 -4.836 2.109 4.932 613 HG LEU 77 HG LEU 77 -4.606 5.120 4.940 614 HD11 LEU 77 1HD1 LEU 77 -5.438 4.238 2.828 615 HD12 LEU 77 2HD1 LEU 77 -6.725 5.047 3.725 616 HD13 LEU 77 3HD1 LEU 77 -6.645 3.284 3.691 617 HD21 LEU 77 3HD2 LEU 77 -6.693 5.071 6.198 618 HD22 LEU 77 1HD2 LEU 77 -5.412 4.235 7.076 619 HD23 LEU 77 2HD2 LEU 77 -6.648 3.308 6.227 620 H GLY 78 HN GLY 78 -0.766 2.747 6.123 621 HA2 GLY 78 2HA GLY 78 0.341 0.653 6.895 622 HA3 GLY 78 1HA GLY 78 -0.797 -0.190 5.849 623 H ASN 79 HN ASN 79 1.062 -1.107 4.794 624 HA ASN 79 HA ASN 79 2.005 0.653 2.669 625 HB2 ASN 79 2HB ASN 79 4.303 -0.297 2.827 626 HB3 ASN 79 1HB ASN 79 3.862 0.709 4.197 627 HD21 ASN 79 1HD2 ASN 79 3.588 -0.237 6.214 628 HD22 ASN 79 2HD2 ASN 79 4.126 -1.840 6.562 629 H PHE 80 HN PHE 80 3.065 -0.642 0.905 630 HA PHE 80 HA PHE 80 1.666 -3.217 0.659 631 HB2 PHE 80 2HB PHE 80 1.327 -2.759 -1.731 632 HB3 PHE 80 1HB PHE 80 0.540 -1.554 -0.723 633 HD1 PHE 80 2HD PHE 80 1.425 0.736 -0.609 634 HD2 PHE 80 1HD PHE 80 3.120 -2.184 -3.202 635 HE1 PHE 80 2HE PHE 80 2.555 2.521 -1.878 636 HE2 PHE 80 1HE PHE 80 4.250 -0.407 -4.472 637 HZ PHE 80 HZ PHE 80 3.969 1.946 -3.813 638 H HIS 81 HN HIS 81 2.676 -4.860 -0.427 639 HA HIS 81 HA HIS 81 5.531 -4.438 -1.075 640 HB2 HIS 81 2HB HIS 81 4.231 -6.945 0.040 641 HB3 HIS 81 1HB HIS 81 5.914 -6.804 -0.442 642 HD1 HIS 81 1HD HIS 81 5.760 -7.734 2.261 643 HD2 HIS 81 2HD HIS 81 5.353 -3.672 1.424 644 HE1 HIS 81 1HE HIS 81 6.241 -6.535 4.425 645 HE2 HIS 81 2HE HIS 81 5.771 -4.104 3.937 646 H SER 82 HN SER 82 6.266 -5.417 -2.978 647 HA SER 82 HA SER 82 4.143 -6.658 -4.609 648 HB2 SER 82 2HB SER 82 6.505 -5.036 -5.599 649 HB3 SER 82 1HB SER 82 5.216 -5.719 -6.592 650 HG SER 82 HG SER 82 5.042 -3.641 -4.668 651 H HIS 83 HN HIS 83 4.591 -8.591 -5.579 652 HA HIS 83 HA HIS 83 7.297 -9.674 -5.109 653 HB2 HIS 83 2HB HIS 83 4.656 -11.108 -5.494 654 HB3 HIS 83 1HB HIS 83 6.210 -11.922 -5.426 655 HD1 HIS 83 1HD HIS 83 3.970 -12.569 -3.419 656 HD2 HIS 83 2HD HIS 83 7.024 -9.829 -2.702 657 HE1 HIS 83 1HE HIS 83 4.168 -12.410 -0.917 658 HE2 HIS 83 2HE HIS 83 6.085 -10.833 -0.497 659 HA PRO 84 HA PRO 84 7.683 -9.502 -9.508 660 HB2 PRO 84 2HB PRO 84 10.052 -11.095 -9.470 661 HB3 PRO 84 1HB PRO 84 9.928 -9.338 -9.523 662 HG2 PRO 84 2HG PRO 84 10.928 -10.805 -7.395 663 HG3 PRO 84 1HG PRO 84 10.349 -9.132 -7.304 664 HD2 PRO 84 2HD PRO 84 8.975 -11.666 -6.522 665 HD3 PRO 84 1HD PRO 84 8.898 -10.058 -5.772 666 H ALA 85 HN ALA 85 8.645 -12.705 -8.248 667 HA ALA 85 HA ALA 85 7.142 -13.915 -10.474 668 HB1 ALA 85 1HB ALA 85 9.546 -14.044 -10.908 669 HB2 ALA 85 2HB ALA 85 8.861 -15.648 -10.640 670 HB3 ALA 85 3HB ALA 85 9.787 -14.860 -9.363 671 H THR 86 HN THR 86 6.412 -13.360 -7.692 672 HA THR 86 HA THR 86 5.705 -16.099 -6.943 673 HB THR 86 HB THR 86 5.791 -15.037 -4.494 674 HG1 THR 86 1HG THR 86 7.941 -13.852 -4.545 675 HG21 THR 86 3HG2 THR 86 8.173 -16.162 -5.969 676 HG22 THR 86 1HG2 THR 86 6.915 -17.088 -5.154 677 HG23 THR 86 2HG2 THR 86 8.012 -16.075 -4.215 678 HA PRO 87 HA PRO 87 1.581 -14.690 -6.837 679 HB2 PRO 87 2HB PRO 87 1.037 -16.274 -4.424 680 HB3 PRO 87 1HB PRO 87 0.421 -16.484 -6.065 681 HG2 PRO 87 2HG PRO 87 2.200 -18.188 -4.992 682 HG3 PRO 87 1HG PRO 87 2.214 -17.775 -6.718 683 HD2 PRO 87 2HD PRO 87 3.958 -16.748 -4.508 684 HD3 PRO 87 1HD PRO 87 4.398 -17.220 -6.163 685 H ALA 88 HN ALA 88 -0.180 -13.802 -5.452 686 HA ALA 88 HA ALA 88 0.937 -11.838 -3.617 687 HB1 ALA 88 1HB ALA 88 -0.658 -11.118 -5.357 688 HB2 ALA 88 2HB ALA 88 -1.241 -10.761 -3.731 689 HB3 ALA 88 3HB ALA 88 -1.895 -12.135 -4.620 690 H ARG 89 HN ARG 89 1.450 -13.134 -1.875 691 HA ARG 89 HA ARG 89 -0.701 -13.622 -0.030 692 HB2 ARG 89 2HB ARG 89 -0.594 -15.710 -1.453 693 HB3 ARG 89 1HB ARG 89 1.049 -15.946 -0.885 694 HG2 ARG 89 2HG ARG 89 0.231 -16.176 1.402 695 HG3 ARG 89 1HG ARG 89 -1.423 -15.918 0.837 696 HD2 ARG 89 2HD ARG 89 -1.199 -17.910 -0.608 697 HD3 ARG 89 1HD ARG 89 0.412 -18.180 0.052 698 HE ARG 89 HE ARG 89 -1.391 -18.038 2.185 699 HH11 ARG 89 1HH1 ARG 89 -0.700 -20.103 -0.554 700 HH12 ARG 89 2HH1 ARG 89 -1.243 -21.551 0.232 701 HH21 ARG 89 1HH2 ARG 89 -2.137 -19.913 3.217 702 HH22 ARG 89 2HH2 ARG 89 -2.082 -21.435 2.380 703 HA PRO 90 HA PRO 90 2.606 -12.302 2.614 704 HB2 PRO 90 2HB PRO 90 1.333 -13.893 4.757 705 HB3 PRO 90 1HB PRO 90 1.674 -12.162 4.692 706 HG2 PRO 90 2HG PRO 90 -0.818 -13.102 4.449 707 HG3 PRO 90 1HG PRO 90 -0.268 -11.689 3.529 708 HD2 PRO 90 2HD PRO 90 -0.637 -14.518 2.627 709 HD3 PRO 90 1HD PRO 90 -0.999 -13.004 1.772 710 H SER 91 HN SER 91 4.506 -13.230 2.211 711 HA SER 91 HA SER 91 4.961 -16.053 2.492 712 HB2 SER 91 2HB SER 91 7.188 -14.060 2.299 713 HB3 SER 91 1HB SER 91 7.017 -15.629 1.510 714 HG SER 91 HG SER 91 5.989 -13.126 0.785 715 H ALA 92 HN ALA 92 6.868 -16.806 3.886 716 HA ALA 92 HA ALA 92 6.555 -16.219 6.588 717 HB1 ALA 92 1HB ALA 92 9.036 -17.237 5.203 718 HB2 ALA 92 2HB ALA 92 7.694 -18.229 5.775 719 HB3 ALA 92 3HB ALA 92 8.696 -17.349 6.929 720 H GLU 93 HN GLU 93 8.739 -14.859 4.180 721 HA GLU 93 HA GLU 93 10.193 -13.146 5.870 722 HB2 GLU 93 2HB GLU 93 9.483 -12.618 2.980 723 HB3 GLU 93 1HB GLU 93 10.846 -11.959 3.870 724 HG2 GLU 93 2HG GLU 93 11.930 -13.597 2.758 725 HG3 GLU 93 1HG GLU 93 11.409 -14.535 4.156 726 H ASP 94 HN ASP 94 7.243 -12.573 3.962 727 HA ASP 94 HA ASP 94 6.912 -9.862 4.632 728 HB2 ASP 94 2HB ASP 94 4.924 -11.961 3.762 729 HB3 ASP 94 1HB ASP 94 4.460 -10.292 4.056 730 H LYS 95 HN LYS 95 5.858 -12.817 6.224 731 HA LYS 95 HA LYS 95 4.102 -11.597 8.082 732 HB2 LYS 95 2HB LYS 95 4.636 -14.155 7.355 733 HB3 LYS 95 1HB LYS 95 5.487 -14.086 8.891 734 HG2 LYS 95 2HG LYS 95 2.600 -13.305 8.567 735 HG3 LYS 95 1HG LYS 95 3.128 -14.932 8.987 736 HD2 LYS 95 2HD LYS 95 4.139 -14.134 11.023 737 HD3 LYS 95 1HD LYS 95 3.807 -12.459 10.574 738 HE2 LYS 95 2HE LYS 95 1.403 -12.904 10.675 739 HE3 LYS 95 1HE LYS 95 1.725 -14.583 11.107 740 HZ1 LYS 95 3HZ LYS 95 2.551 -13.963 13.187 741 HZ2 LYS 95 1HZ LYS 95 1.187 -12.977 12.978 742 HZ3 LYS 95 2HZ LYS 95 2.739 -12.334 12.745 743 H ARG 96 HN ARG 96 7.550 -12.356 8.158 744 HA ARG 96 HA ARG 96 7.883 -11.548 10.890 745 HB2 ARG 96 2HB ARG 96 9.853 -12.102 8.679 746 HB3 ARG 96 1HB ARG 96 10.343 -11.614 10.297 747 HG2 ARG 96 2HG ARG 96 9.258 -13.579 11.232 748 HG3 ARG 96 1HG ARG 96 8.730 -14.062 9.620 749 HD2 ARG 96 2HD ARG 96 11.027 -14.325 8.905 750 HD3 ARG 96 1HD ARG 96 11.605 -13.739 10.466 751 HE ARG 96 HE ARG 96 10.481 -15.760 11.431 752 HH11 ARG 96 1HH1 ARG 96 11.552 -15.718 8.085 753 HH12 ARG 96 2HH1 ARG 96 11.725 -17.447 8.001 754 HH21 ARG 96 1HH2 ARG 96 10.722 -18.017 11.313 755 HH22 ARG 96 2HH2 ARG 96 11.235 -18.759 9.826 756 H LEU 97 HN LEU 97 7.694 -9.926 7.898 757 HA LEU 97 HA LEU 97 8.979 -7.515 8.911 758 HB2 LEU 97 2HB LEU 97 7.784 -8.196 6.225 759 HB3 LEU 97 1HB LEU 97 8.509 -6.653 6.619 760 HG LEU 97 HG LEU 97 9.978 -9.288 6.656 761 HD11 LEU 97 1HD1 LEU 97 11.035 -8.533 4.609 762 HD12 LEU 97 2HD1 LEU 97 10.063 -7.062 4.626 763 HD13 LEU 97 3HD1 LEU 97 9.286 -8.628 4.395 764 HD21 LEU 97 3HD2 LEU 97 10.911 -7.643 8.196 765 HD22 LEU 97 1HD2 LEU 97 10.965 -6.448 6.902 766 HD23 LEU 97 2HD2 LEU 97 11.979 -7.889 6.814 767 H ALA 98 HN ALA 98 6.247 -8.778 9.662 768 HA ALA 98 HA ALA 98 4.467 -6.562 9.043 769 HB1 ALA 98 1HB ALA 98 3.592 -8.832 8.849 770 HB2 ALA 98 2HB ALA 98 2.734 -7.921 10.093 771 HB3 ALA 98 3HB ALA 98 3.944 -9.119 10.553 772 H PHE 99 HN PHE 99 5.026 -4.868 10.230 773 HA PHE 99 HA PHE 99 5.450 -5.203 13.116 774 HB2 PHE 99 2HB PHE 99 5.959 -2.758 11.409 775 HB3 PHE 99 1HB PHE 99 6.469 -3.006 13.076 776 HD1 PHE 99 2HD PHE 99 8.037 -5.044 13.488 777 HD2 PHE 99 1HD PHE 99 7.421 -3.227 9.688 778 HE1 PHE 99 2HE PHE 99 10.157 -5.999 12.693 779 HE2 PHE 99 1HE PHE 99 9.543 -4.181 8.887 780 HZ PHE 99 HZ PHE 99 10.915 -5.570 10.391 781 H ASP 100 HN ASP 100 3.116 -4.369 10.878 782 HA ASP 100 HA ASP 100 1.623 -2.762 12.845 783 HB2 ASP 100 2HB ASP 100 1.259 -2.713 9.844 784 HB3 ASP 100 1HB ASP 100 0.543 -1.626 11.023 785 HA PRO 101 HA PRO 101 -0.708 -6.714 12.222 786 HB2 PRO 101 2HB PRO 101 -1.412 -6.353 15.043 787 HB3 PRO 101 1HB PRO 101 -0.625 -7.721 14.252 788 HG2 PRO 101 2HG PRO 101 0.696 -6.082 15.936 789 HG3 PRO 101 1HG PRO 101 1.485 -6.842 14.542 790 HD2 PRO 101 2HD PRO 101 0.446 -4.047 14.837 791 HD3 PRO 101 1HD PRO 101 1.960 -4.612 14.096 792 H SER 102 HN SER 102 -1.531 -3.579 13.439 793 HA SER 102 HA SER 102 -4.393 -4.157 13.399 794 HB2 SER 102 2HB SER 102 -3.266 -2.779 15.230 795 HB3 SER 102 1HB SER 102 -3.079 -1.506 14.025 796 HG SER 102 HG SER 102 -5.291 -2.291 15.425 797 H LEU 103 HN LEU 103 -2.002 -3.107 11.294 798 HA LEU 103 HA LEU 103 -3.889 -1.569 9.655 799 HB2 LEU 103 2HB LEU 103 -0.877 -1.761 9.563 800 HB3 LEU 103 1HB LEU 103 -1.834 -0.928 8.351 801 HG LEU 103 HG LEU 103 -1.668 -0.199 11.278 802 HD11 LEU 103 1HD1 LEU 103 -0.538 1.816 10.453 803 HD12 LEU 103 2HD1 LEU 103 -0.567 1.149 8.820 804 HD13 LEU 103 3HD1 LEU 103 0.366 0.348 10.083 805 HD21 LEU 103 3HD2 LEU 103 -3.870 0.292 10.371 806 HD22 LEU 103 1HD2 LEU 103 -3.135 1.133 9.004 807 HD23 LEU 103 2HD2 LEU 103 -2.962 1.781 10.637 808 H SER 104 HN SER 104 -2.854 -1.923 7.158 809 HA SER 104 HA SER 104 -3.216 -4.812 6.734 810 HB2 SER 104 2HB SER 104 -4.197 -2.638 4.887 811 HB3 SER 104 1HB SER 104 -4.577 -4.358 4.821 812 HG SER 104 HG SER 104 -5.266 -3.559 7.217 813 H TYR 105 HN TYR 105 -1.827 -5.796 5.403 814 HA TYR 105 HA TYR 105 0.128 -4.135 3.970 815 HB2 TYR 105 2HB TYR 105 0.258 -6.998 4.926 816 HB3 TYR 105 1HB TYR 105 1.445 -6.293 3.834 817 HD1 TYR 105 2HD TYR 105 2.933 -4.499 4.615 818 HD2 TYR 105 1HD TYR 105 0.267 -6.475 7.271 819 HE1 TYR 105 2HE TYR 105 4.209 -3.633 6.527 820 HE2 TYR 105 1HE TYR 105 1.529 -5.605 9.193 821 HH TYR 105 HH TYR 105 3.640 -3.098 9.031 822 H LEU 106 HN LEU 106 -0.479 -3.807 1.938 823 HA LEU 106 HA LEU 106 -2.070 -5.786 0.537 824 HB2 LEU 106 2HB LEU 106 -1.112 -3.021 -0.152 825 HB3 LEU 106 1HB LEU 106 -1.799 -4.070 -1.375 826 HG LEU 106 HG LEU 106 -3.876 -4.214 0.023 827 HD11 LEU 106 1HD1 LEU 106 -2.580 -1.969 1.563 828 HD12 LEU 106 2HD1 LEU 106 -2.914 -3.588 2.179 829 HD13 LEU 106 3HD1 LEU 106 -4.246 -2.522 1.734 830 HD21 LEU 106 3HD2 LEU 106 -3.043 -1.470 -0.903 831 HD22 LEU 106 1HD2 LEU 106 -4.699 -2.020 -0.648 832 HD23 LEU 106 2HD2 LEU 106 -3.712 -2.749 -1.916 833 H ILE 107 HN ILE 107 -1.363 -7.069 -1.099 834 HA ILE 107 HA ILE 107 1.500 -6.879 -1.745 835 HB ILE 107 HB ILE 107 -0.104 -9.413 -1.363 836 HG12 ILE 107 2HG1 ILE 107 2.223 -8.251 0.188 837 HG13 ILE 107 1HG1 ILE 107 0.553 -8.325 0.739 838 HG21 ILE 107 1HG2 ILE 107 1.464 -9.668 -3.195 839 HG22 ILE 107 2HG2 ILE 107 2.023 -10.579 -1.791 840 HG23 ILE 107 3HG2 ILE 107 2.769 -9.032 -2.194 841 HD11 ILE 107 3HD1 ILE 107 2.280 -10.711 0.135 842 HD12 ILE 107 1HD1 ILE 107 0.646 -10.735 0.793 843 HD13 ILE 107 2HD1 ILE 107 1.967 -10.055 1.743 844 H ILE 108 HN ILE 108 1.905 -6.579 -3.792 845 HA ILE 108 HA ILE 108 -0.176 -7.189 -5.775 846 HB ILE 108 HB ILE 108 2.265 -5.421 -6.085 847 HG12 ILE 108 2HG1 ILE 108 -0.627 -4.621 -5.687 848 HG13 ILE 108 1HG1 ILE 108 0.619 -4.531 -4.447 849 HG21 ILE 108 1HG2 ILE 108 1.499 -6.359 -8.186 850 HG22 ILE 108 2HG2 ILE 108 1.135 -4.636 -8.122 851 HG23 ILE 108 3HG2 ILE 108 -0.147 -5.820 -7.857 852 HD11 ILE 108 3HD1 ILE 108 0.233 -2.356 -5.425 853 HD12 ILE 108 1HD1 ILE 108 0.572 -2.991 -7.037 854 HD13 ILE 108 2HD1 ILE 108 1.853 -2.925 -5.825 855 H SER 109 HN SER 109 0.134 -8.868 -7.091 856 HA SER 109 HA SER 109 2.810 -10.070 -7.186 857 HB2 SER 109 2HB SER 109 0.943 -11.536 -6.489 858 HB3 SER 109 1HB SER 109 0.149 -11.244 -8.038 859 HG SER 109 HG SER 109 2.535 -12.661 -7.496 860 H LEU 110 HN LEU 110 4.040 -9.653 -8.878 861 HA LEU 110 HA LEU 110 2.786 -8.854 -11.401 862 HB2 LEU 110 2HB LEU 110 5.615 -8.627 -10.387 863 HB3 LEU 110 1HB LEU 110 5.177 -8.295 -12.049 864 HG LEU 110 HG LEU 110 5.310 -6.201 -10.990 865 HD11 LEU 110 1HD1 LEU 110 3.032 -5.335 -11.087 866 HD12 LEU 110 2HD1 LEU 110 2.405 -6.983 -11.060 867 HD13 LEU 110 3HD1 LEU 110 3.372 -6.431 -12.428 868 HD21 LEU 110 3HD2 LEU 110 5.306 -6.933 -8.675 869 HD22 LEU 110 1HD2 LEU 110 3.586 -7.307 -8.778 870 HD23 LEU 110 2HD2 LEU 110 4.133 -5.637 -8.918 871 H ALA 111 HN ALA 111 3.261 -11.634 -10.106 872 HA ALA 111 HA ALA 111 5.005 -13.116 -11.724 873 HB1 ALA 111 1HB ALA 111 2.465 -14.040 -10.373 874 HB2 ALA 111 2HB ALA 111 4.061 -13.961 -9.624 875 HB3 ALA 111 3HB ALA 111 3.768 -15.076 -10.959 876 H GLU 112 HN GLU 112 1.776 -11.968 -12.214 877 HA GLU 112 HA GLU 112 1.836 -13.036 -14.951 878 HB2 GLU 112 2HB GLU 112 0.001 -13.980 -13.488 879 HB3 GLU 112 1HB GLU 112 -0.655 -12.352 -13.375 880 HG2 GLU 112 2HG GLU 112 -1.827 -13.662 -15.051 881 HG3 GLU 112 1HG GLU 112 -0.979 -12.301 -15.785 882 HA PRO 113 HA PRO 113 2.553 -8.534 -14.984 883 HB2 PRO 113 2HB PRO 113 3.349 -9.087 -17.777 884 HB3 PRO 113 1HB PRO 113 4.246 -8.273 -16.492 885 HG2 PRO 113 2HG PRO 113 4.910 -10.734 -17.276 886 HG3 PRO 113 1HG PRO 113 4.996 -10.260 -15.569 887 HD2 PRO 113 2HD PRO 113 2.910 -11.880 -16.979 888 HD3 PRO 113 1HD PRO 113 3.632 -12.124 -15.375 889 H GLN 114 HN GLN 114 0.562 -10.381 -17.074 890 HA GLN 114 HA GLN 114 -0.581 -8.039 -18.346 891 HB2 GLN 114 2HB GLN 114 -1.324 -10.959 -18.556 892 HB3 GLN 114 1HB GLN 114 -2.046 -9.666 -19.501 893 HG2 GLN 114 2HG GLN 114 0.250 -9.156 -20.373 894 HG3 GLN 114 1HG GLN 114 0.795 -10.638 -19.589 895 HE21 GLN 114 1HE2 GLN 114 0.142 -12.631 -20.414 896 HE22 GLN 114 2HE2 GLN 114 -0.552 -12.780 -21.997 897 H LYS 115 HN LYS 115 -1.105 -9.987 -15.592 898 HA LYS 115 HA LYS 115 -3.527 -8.504 -14.955 899 HB2 LYS 115 2HB LYS 115 -3.378 -11.507 -15.140 900 HB3 LYS 115 1HB LYS 115 -4.543 -10.703 -14.104 901 HG2 LYS 115 2HG LYS 115 -4.317 -10.301 -17.078 902 HG3 LYS 115 1HG LYS 115 -5.483 -11.358 -16.280 903 HD2 LYS 115 2HD LYS 115 -6.421 -9.423 -15.102 904 HD3 LYS 115 1HD LYS 115 -5.257 -8.370 -15.907 905 HE2 LYS 115 2HE LYS 115 -6.216 -8.960 -18.075 906 HE3 LYS 115 1HE LYS 115 -7.364 -10.039 -17.282 907 HZ1 LYS 115 3HZ LYS 115 -7.201 -7.094 -16.904 908 HZ2 LYS 115 1HZ LYS 115 -8.301 -8.126 -16.125 909 HZ3 LYS 115 2HZ LYS 115 -8.379 -7.912 -17.807 910 HA PRO 116 HA PRO 116 -0.524 -8.890 -11.457 911 HB2 PRO 116 2HB PRO 116 -0.941 -6.352 -10.542 912 HB3 PRO 116 1HB PRO 116 0.244 -6.752 -11.791 913 HG2 PRO 116 2HG PRO 116 -2.516 -5.641 -12.083 914 HG3 PRO 116 1HG PRO 116 -1.032 -5.195 -12.944 915 HD2 PRO 116 2HD PRO 116 -2.916 -6.795 -14.039 916 HD3 PRO 116 1HD PRO 116 -1.185 -6.981 -14.396 917 H VAL 117 HN VAL 117 -1.192 -9.748 -9.563 918 HA VAL 117 HA VAL 117 -3.996 -9.462 -8.840 919 HB VAL 117 HB VAL 117 -1.840 -11.112 -7.504 920 HG11 VAL 117 1HG1 VAL 117 -3.682 -12.329 -6.479 921 HG12 VAL 117 2HG1 VAL 117 -4.844 -11.270 -7.277 922 HG13 VAL 117 3HG1 VAL 117 -3.753 -10.620 -6.053 923 HG21 VAL 117 3HG2 VAL 117 -2.782 -13.017 -8.714 924 HG22 VAL 117 1HG2 VAL 117 -2.172 -11.794 -9.826 925 HG23 VAL 117 2HG2 VAL 117 -3.907 -11.940 -9.543 926 H CYS 118 HN CYS 118 -4.647 -7.932 -7.521 927 HA CYS 118 HA CYS 118 -2.792 -6.903 -5.477 928 HB2 CYS 118 2HB CYS 118 -4.234 -4.800 -5.646 929 HB3 CYS 118 1HB CYS 118 -3.166 -5.136 -7.004 930 HG CYS 118 HG CYS 118 -5.224 -6.219 -8.604 931 H LYS 119 HN LYS 119 -3.378 -7.524 -3.462 932 HA LYS 119 HA LYS 119 -6.206 -7.297 -2.753 933 HB2 LYS 119 2HB LYS 119 -4.618 -9.742 -1.959 934 HB3 LYS 119 1HB LYS 119 -6.317 -9.430 -1.642 935 HG2 LYS 119 2HG LYS 119 -6.478 -9.345 -4.255 936 HG3 LYS 119 1HG LYS 119 -4.980 -10.271 -4.168 937 HD2 LYS 119 2HD LYS 119 -6.735 -11.856 -4.295 938 HD3 LYS 119 1HD LYS 119 -6.204 -11.849 -2.611 939 HE2 LYS 119 2HE LYS 119 -8.067 -10.490 -1.963 940 HE3 LYS 119 1HE LYS 119 -8.538 -10.247 -3.645 941 HZ1 LYS 119 3HZ LYS 119 -8.631 -12.789 -2.111 942 HZ2 LYS 119 1HZ LYS 119 -8.925 -12.670 -3.781 943 HZ3 LYS 119 2HZ LYS 119 -9.951 -11.887 -2.681 944 H SER 120 HN SER 120 -6.553 -7.265 -0.415 945 HA SER 120 HA SER 120 -4.272 -6.028 0.956 946 HB2 SER 120 2HB SER 120 -6.372 -4.695 0.740 947 HB3 SER 120 1HB SER 120 -7.218 -5.933 1.659 948 HG SER 120 HG SER 120 -6.133 -5.371 3.462 949 H PHE 121 HN PHE 121 -3.352 -7.057 2.649 950 HA PHE 121 HA PHE 121 -4.790 -9.380 3.749 951 HB2 PHE 121 2HB PHE 121 -1.811 -9.076 3.331 952 HB3 PHE 121 1HB PHE 121 -2.603 -10.459 4.078 953 HD1 PHE 121 1HD PHE 121 -4.105 -11.898 2.704 954 HD2 PHE 121 2HD PHE 121 -1.666 -8.861 0.989 955 HE1 PHE 121 1HE PHE 121 -4.360 -12.946 0.495 956 HE2 PHE 121 2HE PHE 121 -1.921 -9.902 -1.226 957 HZ PHE 121 HZ PHE 121 -3.267 -11.948 -1.473 958 H LEU 122 HN LEU 122 -5.136 -9.362 5.845 959 HA LEU 122 HA LEU 122 -3.767 -7.402 7.524 960 HB2 LEU 122 2HB LEU 122 -6.020 -9.319 8.148 961 HB3 LEU 122 1HB LEU 122 -5.370 -8.134 9.262 962 HG LEU 122 HG LEU 122 -6.732 -7.453 6.656 963 HD11 LEU 122 1HD1 LEU 122 -8.281 -8.481 8.255 964 HD12 LEU 122 2HD1 LEU 122 -8.622 -6.768 8.015 965 HD13 LEU 122 3HD1 LEU 122 -7.791 -7.304 9.476 966 HD21 LEU 122 3HD2 LEU 122 -5.117 -5.781 7.399 967 HD22 LEU 122 1HD2 LEU 122 -5.884 -5.735 8.985 968 HD23 LEU 122 2HD2 LEU 122 -6.769 -5.186 7.561 969 H ILE 123 HN ILE 123 -1.796 -8.116 8.153 970 HA ILE 123 HA ILE 123 -1.445 -10.923 8.809 971 HB ILE 123 HB ILE 123 0.575 -8.688 8.994 972 HG12 ILE 123 2HG1 ILE 123 0.116 -10.716 6.789 973 HG13 ILE 123 1HG1 ILE 123 -0.224 -8.997 6.687 974 HG21 ILE 123 1HG2 ILE 123 1.143 -10.576 10.391 975 HG22 ILE 123 2HG2 ILE 123 2.218 -10.520 8.994 976 HG23 ILE 123 3HG2 ILE 123 0.894 -11.684 9.043 977 HD11 ILE 123 3HD1 ILE 123 1.841 -9.536 5.542 978 HD12 ILE 123 1HD1 ILE 123 2.498 -10.228 7.025 979 HD13 ILE 123 2HD1 ILE 123 2.155 -8.500 6.936 980 H LYS 124 HN LYS 124 -2.103 -11.576 10.701 981 HA LYS 124 HA LYS 124 -2.227 -9.625 12.891 982 HB2 LYS 124 2HB LYS 124 -3.840 -12.121 12.353 983 HB3 LYS 124 1HB LYS 124 -3.985 -11.148 13.808 984 HG2 LYS 124 2HG LYS 124 -4.773 -9.264 12.527 985 HG3 LYS 124 1HG LYS 124 -4.508 -10.140 11.018 986 HD2 LYS 124 2HD LYS 124 -6.211 -11.731 11.566 987 HD3 LYS 124 1HD LYS 124 -6.371 -11.072 13.195 988 HE2 LYS 124 2HE LYS 124 -7.002 -9.593 10.642 989 HE3 LYS 124 1HE LYS 124 -8.192 -10.352 11.700 990 HZ1 LYS 124 3HZ LYS 124 -6.521 -7.968 12.210 991 HZ2 LYS 124 1HZ LYS 124 -7.180 -8.860 13.497 992 HZ3 LYS 124 2HZ LYS 124 -8.203 -8.145 12.353 993 H LYS 125 HN LYS 125 -2.645 -11.201 14.988 994 HA LYS 125 HA LYS 125 -0.103 -12.040 15.812 995 HB2 LYS 125 2HB LYS 125 -2.147 -11.325 17.194 996 HB3 LYS 125 1HB LYS 125 -2.711 -12.974 16.996 997 HG2 LYS 125 2HG LYS 125 -1.654 -12.817 19.110 998 HG3 LYS 125 1HG LYS 125 -0.590 -13.747 18.053 999 HD2 LYS 125 2HD LYS 125 0.989 -12.096 17.958 1000 HD3 LYS 125 1HD LYS 125 -0.190 -10.805 18.203 1001 HE2 LYS 125 2HE LYS 125 0.759 -12.749 20.301 1002 HE3 LYS 125 1HE LYS 125 1.285 -11.073 20.142 1003 HZ1 LYS 125 3HZ LYS 125 -1.483 -11.993 20.724 1004 HZ2 LYS 125 1HZ LYS 125 -1.018 -10.374 20.511 1005 HZ3 LYS 125 2HZ LYS 125 -0.418 -11.266 21.824 1006 H ASP 126 HN ASP 126 -2.998 -13.882 15.017 1007 HA ASP 126 HA ASP 126 -1.687 -16.411 15.266 1008 HB2 ASP 126 2HB ASP 126 -4.425 -15.630 14.257 1009 HB3 ASP 126 1HB ASP 126 -3.876 -17.297 14.399 1010 H GLY 127 HN GLY 127 -3.416 -15.021 12.465 1011 HA2 GLY 127 2HA GLY 127 -1.227 -15.937 10.739 1012 HA3 GLY 127 1HA GLY 127 -2.838 -16.568 10.435 1013 H VAL 128 HN VAL 128 -3.169 -15.646 8.457 1014 HA VAL 128 HA VAL 128 -3.205 -12.701 8.425 1015 HB VAL 128 HB VAL 128 -1.586 -13.585 6.830 1016 HG11 VAL 128 1HG1 VAL 128 -2.290 -14.924 4.907 1017 HG12 VAL 128 2HG1 VAL 128 -3.917 -15.027 5.578 1018 HG13 VAL 128 3HG1 VAL 128 -2.566 -15.779 6.426 1019 HG21 VAL 128 3HG2 VAL 128 -2.497 -12.529 4.765 1020 HG22 VAL 128 1HG2 VAL 128 -2.663 -11.534 6.212 1021 HG23 VAL 128 2HG2 VAL 128 -4.057 -12.407 5.575 1022 H ASP 129 HN ASP 129 -5.014 -11.653 7.756 1023 HA ASP 129 HA ASP 129 -7.323 -13.325 7.008 1024 HB2 ASP 129 2HB ASP 129 -7.490 -12.138 9.223 1025 HB3 ASP 129 1HB ASP 129 -7.433 -10.615 8.342 1026 H GLU 130 HN GLU 130 -8.192 -12.947 5.055 1027 HA GLU 130 HA GLU 130 -6.784 -11.003 3.410 1028 HB2 GLU 130 2HB GLU 130 -7.121 -13.407 2.731 1029 HB3 GLU 130 1HB GLU 130 -8.828 -13.040 2.527 1030 HG2 GLU 130 2HG GLU 130 -8.328 -11.452 0.793 1031 HG3 GLU 130 1HG GLU 130 -6.598 -11.652 1.062 1032 H GLU 131 HN GLU 131 -7.599 -9.181 2.629 1033 HA GLU 131 HA GLU 131 -10.478 -8.653 2.989 1034 HB2 GLU 131 2HB GLU 131 -9.034 -7.283 4.462 1035 HB3 GLU 131 1HB GLU 131 -8.172 -6.686 3.053 1036 HG2 GLU 131 2HG GLU 131 -9.733 -5.032 3.793 1037 HG3 GLU 131 1HG GLU 131 -10.256 -5.672 2.237 1038 H GLU 132 HN GLU 132 -11.594 -7.897 1.224 1039 HA GLU 132 HA GLU 132 -10.184 -8.013 -1.311 1040 HB2 GLU 132 2HB GLU 132 -12.503 -7.911 -2.254 1041 HB3 GLU 132 1HB GLU 132 -12.165 -9.310 -1.253 1042 HG2 GLU 132 2HG GLU 132 -13.311 -8.181 0.621 1043 HG3 GLU 132 1HG GLU 132 -13.732 -6.863 -0.471 1044 H ILE 133 HN ILE 133 -10.588 -6.409 -2.976 1045 HA ILE 133 HA ILE 133 -10.609 -3.721 -1.763 1046 HB ILE 133 HB ILE 133 -9.236 -4.573 -4.318 1047 HG12 ILE 133 2HG1 ILE 133 -8.070 -4.073 -1.570 1048 HG13 ILE 133 1HG1 ILE 133 -8.196 -5.637 -2.363 1049 HG21 ILE 133 1HG2 ILE 133 -9.843 -2.227 -4.308 1050 HG22 ILE 133 2HG2 ILE 133 -8.098 -2.396 -4.123 1051 HG23 ILE 133 3HG2 ILE 133 -9.100 -2.016 -2.722 1052 HD11 ILE 133 3HD1 ILE 133 -6.544 -3.311 -3.311 1053 HD12 ILE 133 1HD1 ILE 133 -6.671 -4.878 -4.109 1054 HD13 ILE 133 2HD1 ILE 133 -5.941 -4.760 -2.507 1055 H ILE 134 HN ILE 134 -12.079 -2.298 -2.403 1056 HA ILE 134 HA ILE 134 -13.715 -2.922 -4.757 1057 HB ILE 134 HB ILE 134 -14.202 -1.105 -2.394 1058 HG12 ILE 134 2HG1 ILE 134 -16.328 -2.464 -2.277 1059 HG13 ILE 134 1HG1 ILE 134 -15.660 -3.496 -3.534 1060 HG21 ILE 134 1HG2 ILE 134 -16.270 -0.362 -3.432 1061 HG22 ILE 134 2HG2 ILE 134 -15.890 -1.282 -4.887 1062 HG23 ILE 134 3HG2 ILE 134 -14.883 0.090 -4.424 1063 HD11 ILE 134 3HD1 ILE 134 -15.392 -4.467 -1.324 1064 HD12 ILE 134 1HD1 ILE 134 -14.466 -3.059 -0.809 1065 HD13 ILE 134 2HD1 ILE 134 -13.832 -4.123 -2.066 1066 H LEU 135 HN LEU 135 -13.402 -1.810 -6.582 1067 HA LEU 135 HA LEU 135 -11.459 0.366 -6.522 1068 HB2 LEU 135 2HB LEU 135 -12.607 -1.149 -8.864 1069 HB3 LEU 135 1HB LEU 135 -11.306 0.021 -8.941 1070 HG LEU 135 HG LEU 135 -11.218 -2.674 -7.584 1071 HD11 LEU 135 1HD1 LEU 135 -9.789 -1.589 -10.009 1072 HD12 LEU 135 2HD1 LEU 135 -11.089 -2.782 -10.013 1073 HD13 LEU 135 3HD1 LEU 135 -9.531 -3.177 -9.286 1074 HD21 LEU 135 3HD2 LEU 135 -9.938 -1.024 -6.317 1075 HD22 LEU 135 1HD2 LEU 135 -9.081 -0.554 -7.785 1076 HD23 LEU 135 2HD2 LEU 135 -8.873 -2.175 -7.124 1077 H LYS 136 HN LYS 136 -12.002 2.411 -6.736 1078 HA LYS 136 HA LYS 136 -14.676 3.171 -7.618 1079 HB2 LYS 136 2HB LYS 136 -12.359 4.642 -6.394 1080 HB3 LYS 136 1HB LYS 136 -13.671 5.527 -7.155 1081 HG2 LYS 136 2HG LYS 136 -14.213 3.490 -5.030 1082 HG3 LYS 136 1HG LYS 136 -13.757 5.146 -4.622 1083 HD2 LYS 136 2HD LYS 136 -15.654 5.985 -5.927 1084 HD3 LYS 136 1HD LYS 136 -16.106 4.329 -6.335 1085 HE2 LYS 136 2HE LYS 136 -16.615 3.826 -4.061 1086 HE3 LYS 136 1HE LYS 136 -15.916 5.346 -3.507 1087 HZ1 LYS 136 3HZ LYS 136 -18.270 5.209 -5.309 1088 HZ2 LYS 136 1HZ LYS 136 -17.680 6.565 -4.473 1089 HZ3 LYS 136 2HZ LYS 136 -18.400 5.286 -3.620 1090 H GLU 137 HN GLU 137 -15.120 4.332 -9.465 1091 HA GLU 137 HA GLU 137 -13.493 3.823 -11.717 1092 HB2 GLU 137 2HB GLU 137 -15.599 5.950 -11.633 1093 HB3 GLU 137 1HB GLU 137 -15.149 4.919 -12.961 1094 HG2 GLU 137 2HG GLU 137 -17.159 4.011 -12.369 1095 HG3 GLU 137 1HG GLU 137 -16.061 3.018 -11.409 1096 H GLU 138 HN GLU 138 -13.838 6.460 -9.609 1097 HA GLU 138 HA GLU 138 -11.595 7.901 -10.761 1098 HB2 GLU 138 2HB GLU 138 -13.853 8.583 -11.862 1099 HB3 GLU 138 1HB GLU 138 -14.190 9.371 -10.330 1100 HG2 GLU 138 2HG GLU 138 -12.229 10.777 -10.603 1101 HG3 GLU 138 1HG GLU 138 -11.842 9.958 -12.118 1102 H LEU 139 HN LEU 139 -11.308 10.021 -9.298 1103 HA LEU 139 HA LEU 139 -11.027 9.145 -6.627 1104 HB2 LEU 139 2HB LEU 139 -10.824 11.885 -7.857 1105 HB3 LEU 139 1HB LEU 139 -10.517 11.579 -6.159 1106 HG LEU 139 HG LEU 139 -8.967 10.420 -8.476 1107 HD11 LEU 139 1HD1 LEU 139 -7.146 11.808 -7.648 1108 HD12 LEU 139 2HD1 LEU 139 -8.198 12.452 -6.387 1109 HD13 LEU 139 3HD1 LEU 139 -8.541 12.796 -8.082 1110 HD21 LEU 139 3HD2 LEU 139 -7.464 9.533 -6.752 1111 HD22 LEU 139 1HD2 LEU 139 -9.083 8.843 -6.627 1112 HD23 LEU 139 2HD2 LEU 139 -8.573 10.102 -5.504 1113 H GLU 140 HN GLU 140 -12.088 9.765 -4.759 1114 HA GLU 140 HA GLU 140 -14.909 10.357 -5.187 1115 HB2 GLU 140 2HB GLU 140 -14.186 8.361 -3.841 1116 HB3 GLU 140 1HB GLU 140 -13.532 9.468 -2.644 1117 HG2 GLU 140 2HG GLU 140 -15.709 8.636 -1.972 1118 HG3 GLU 140 1HG GLU 140 -15.759 10.376 -2.254 1119 H HIS 141 HN HIS 141 -16.008 11.899 -3.877 1120 HA HIS 141 HA HIS 141 -14.323 14.244 -3.361 1121 HB2 HIS 141 2HB HIS 141 -16.577 15.455 -3.387 1122 HB3 HIS 141 1HB HIS 141 -16.009 14.789 -4.915 1123 HD1 HIS 141 1HD HIS 141 -18.563 14.146 -2.192 1124 HD2 HIS 141 2HD HIS 141 -17.657 12.895 -6.056 1125 HE1 HIS 141 1HE HIS 141 -20.526 12.771 -2.943 1126 HE2 HIS 141 2HE HIS 141 -19.827 11.812 -5.160 1127 H HIS 142 HN HIS 142 -14.314 15.333 -1.438 1128 HA HIS 142 HA HIS 142 -15.450 13.950 0.865 1129 HB2 HIS 142 2HB HIS 142 -13.481 16.202 0.542 1130 HB3 HIS 142 1HB HIS 142 -14.231 15.878 2.101 1131 HD1 HIS 142 1HD HIS 142 -12.900 14.406 3.543 1132 HD2 HIS 142 2HD HIS 142 -12.211 13.642 -0.487 1133 HE1 HIS 142 1HE HIS 142 -11.144 12.606 3.478 1134 HE2 HIS 142 2HE HIS 142 -10.984 11.958 1.048 1135 H HIS 143 HN HIS 143 -15.524 17.150 -0.640 1136 HA HIS 143 HA HIS 143 -18.231 17.464 0.456 1137 HB2 HIS 143 2HB HIS 143 -17.870 19.899 0.612 1138 HB3 HIS 143 1HB HIS 143 -16.798 19.004 1.676 1139 HD1 HIS 143 1HD HIS 143 -14.456 19.779 1.646 1140 HD2 HIS 143 2HD HIS 143 -16.434 20.689 -1.901 1141 HE1 HIS 143 1HE HIS 143 -12.816 21.095 0.268 1142 HE2 HIS 143 2HE HIS 143 -14.105 21.801 -1.779 1143 H HIS 144 HN HIS 144 -19.636 18.845 -0.898 1144 HA HIS 144 HA HIS 144 -18.815 19.191 -3.652 1145 HB2 HIS 144 2HB HIS 144 -20.536 17.689 -4.590 1146 HB3 HIS 144 1HB HIS 144 -19.338 16.802 -3.655 1147 HD1 HIS 144 1HD HIS 144 -22.946 17.419 -3.934 1148 HD2 HIS 144 2HD HIS 144 -20.318 15.940 -1.063 1149 HE1 HIS 144 1HE HIS 144 -24.378 16.207 -2.253 1150 HE2 HIS 144 2HE HIS 144 -22.763 15.256 -0.567 1151 H HIS 145 HN HIS 145 -20.051 20.635 -4.731 1152 HA HIS 145 HA HIS 145 -22.593 21.447 -3.491 1153 HB2 HIS 145 2HB HIS 145 -20.345 23.177 -4.462 1154 HB3 HIS 145 1HB HIS 145 -22.001 23.772 -4.526 1155 HD1 HIS 145 1HD HIS 145 -19.508 24.722 -2.636 1156 HD2 HIS 145 2HD HIS 145 -22.907 22.580 -1.543 1157 HE1 HIS 145 1HE HIS 145 -19.830 25.159 -0.177 1158 HE2 HIS 145 2HE HIS 145 -22.016 24.039 0.399 1159 H HIS 146 HN HIS 146 -20.652 21.665 -6.467 1160 HA HIS 146 HA HIS 146 -21.203 21.694 -8.667 1161 HB2 HIS 146 2HB HIS 146 -23.294 19.885 -7.523 1162 HB3 HIS 146 1HB HIS 146 -23.442 20.402 -9.197 1163 HD1 HIS 146 1HD HIS 146 -21.811 19.430 -10.896 1164 HD2 HIS 146 2HD HIS 146 -21.153 18.121 -6.998 1165 HE1 HIS 146 1HE HIS 146 -20.235 17.473 -11.090 1166 HE2 HIS 146 2HE HIS 146 -19.804 16.730 -8.720 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -14.116 -1.592 5.441 2 H2 MET 1 H2 MET 1 -12.712 -2.284 6.085 3 H3 MET 1 H3 MET 1 -14.090 -3.237 5.858 4 HA MET 1 HA MET 1 -12.526 -3.736 4.143 5 HB2 MET 1 2HB MET 1 -13.889 -3.342 2.202 6 HB3 MET 1 1HB MET 1 -14.961 -3.632 3.565 7 HG2 MET 1 2HG MET 1 -15.268 -1.190 3.781 8 HG3 MET 1 1HG MET 1 -14.282 -0.968 2.341 9 HE1 MET 1 2HE MET 1 -17.769 -0.109 0.909 10 HE2 MET 1 3HE MET 1 -16.073 0.357 1.007 11 HE3 MET 1 1HE MET 1 -17.074 0.349 2.463 12 H ILE 2 HN ILE 2 -11.662 -2.792 1.948 13 HA ILE 2 HA ILE 2 -10.548 -0.125 2.521 14 HB ILE 2 HB ILE 2 -8.801 -1.807 2.723 15 HG12 ILE 2 2HG1 ILE 2 -8.526 -0.197 0.172 16 HG13 ILE 2 1HG1 ILE 2 -8.219 0.398 1.802 17 HG21 ILE 2 1HG2 ILE 2 -8.099 -3.159 0.804 18 HG22 ILE 2 2HG2 ILE 2 -9.475 -2.553 -0.120 19 HG23 ILE 2 3HG2 ILE 2 -9.743 -3.547 1.313 20 HD11 ILE 2 3HD1 ILE 2 -6.155 -0.148 0.614 21 HD12 ILE 2 1HD1 ILE 2 -6.702 -1.816 0.435 22 HD13 ILE 2 2HD1 ILE 2 -6.376 -1.162 2.040 23 H THR 3 HN THR 3 -10.687 1.394 0.974 24 HA THR 3 HA THR 3 -11.737 0.573 -1.654 25 HB THR 3 HB THR 3 -12.466 3.110 -0.176 26 HG1 THR 3 1HG THR 3 -13.585 1.623 0.926 27 HG21 THR 3 3HG2 THR 3 -13.598 1.840 -2.674 28 HG22 THR 3 1HG2 THR 3 -12.606 3.295 -2.611 29 HG23 THR 3 2HG2 THR 3 -14.217 3.294 -1.893 30 H LEU 4 HN LEU 4 -10.482 1.199 -3.315 31 HA LEU 4 HA LEU 4 -9.038 3.722 -3.096 32 HB2 LEU 4 2HB LEU 4 -7.046 2.652 -4.216 33 HB3 LEU 4 1HB LEU 4 -7.292 2.267 -2.529 34 HG LEU 4 HG LEU 4 -8.502 0.140 -3.520 35 HD11 LEU 4 1HD1 LEU 4 -6.596 0.911 -5.722 36 HD12 LEU 4 2HD1 LEU 4 -8.352 0.806 -5.851 37 HD13 LEU 4 3HD1 LEU 4 -7.400 -0.650 -5.560 38 HD21 LEU 4 3HD2 LEU 4 -5.510 0.479 -3.432 39 HD22 LEU 4 1HD2 LEU 4 -6.373 -1.059 -3.378 40 HD23 LEU 4 2HD2 LEU 4 -6.557 0.103 -2.064 41 H THR 5 HN THR 5 -8.150 4.367 -5.298 42 HA THR 5 HA THR 5 -10.383 3.953 -7.148 43 HB THR 5 HB THR 5 -9.726 6.061 -8.174 44 HG1 THR 5 1HG THR 5 -7.989 7.164 -6.678 45 HG21 THR 5 3HG2 THR 5 -9.847 6.204 -5.160 46 HG22 THR 5 1HG2 THR 5 -11.222 6.179 -6.266 47 HG23 THR 5 2HG2 THR 5 -10.125 7.560 -6.252 48 H LYS 6 HN LYS 6 -9.741 4.263 -9.520 49 HA LYS 6 HA LYS 6 -8.067 2.209 -10.388 50 HB2 LYS 6 2HB LYS 6 -8.932 4.710 -11.850 51 HB3 LYS 6 1HB LYS 6 -8.238 3.288 -12.605 52 HG2 LYS 6 2HG LYS 6 -10.157 1.959 -11.864 53 HG3 LYS 6 1HG LYS 6 -10.854 3.402 -11.121 54 HD2 LYS 6 2HD LYS 6 -10.875 4.487 -13.338 55 HD3 LYS 6 1HD LYS 6 -10.266 2.992 -14.051 56 HE2 LYS 6 2HE LYS 6 -12.277 1.818 -13.240 57 HE3 LYS 6 1HE LYS 6 -12.886 3.344 -12.597 58 HZ1 LYS 6 3HZ LYS 6 -12.352 2.715 -15.449 59 HZ2 LYS 6 1HZ LYS 6 -12.824 4.238 -14.869 60 HZ3 LYS 6 2HZ LYS 6 -13.874 2.916 -14.723 61 H LYS 7 HN LYS 7 -7.501 5.668 -10.057 62 HA LYS 7 HA LYS 7 -4.959 5.822 -11.183 63 HB2 LYS 7 2HB LYS 7 -6.610 7.666 -10.453 64 HB3 LYS 7 1HB LYS 7 -5.881 7.508 -8.865 65 HG2 LYS 7 2HG LYS 7 -4.045 7.900 -11.147 66 HG3 LYS 7 1HG LYS 7 -5.062 9.260 -10.681 67 HD2 LYS 7 2HD LYS 7 -3.270 7.734 -8.798 68 HD3 LYS 7 1HD LYS 7 -2.837 9.257 -9.576 69 HE2 LYS 7 2HE LYS 7 -4.690 10.373 -8.468 70 HE3 LYS 7 1HE LYS 7 -5.201 8.849 -7.745 71 HZ1 LYS 7 3HZ LYS 7 -2.978 8.774 -6.645 72 HZ2 LYS 7 1HZ LYS 7 -3.984 10.033 -6.117 73 HZ3 LYS 7 2HZ LYS 7 -2.715 10.359 -7.182 74 H GLN 8 HN GLN 8 -5.959 5.031 -7.870 75 HA GLN 8 HA GLN 8 -3.362 4.964 -6.741 76 HB2 GLN 8 2HB GLN 8 -5.717 3.259 -5.905 77 HB3 GLN 8 1HB GLN 8 -4.355 3.746 -4.912 78 HG2 GLN 8 2HG GLN 8 -6.607 5.449 -5.921 79 HG3 GLN 8 1HG GLN 8 -6.210 5.043 -4.258 80 HE21 GLN 8 1HE2 GLN 8 -4.376 6.011 -3.307 81 HE22 GLN 8 2HE2 GLN 8 -3.740 7.496 -3.917 82 H MET 9 HN MET 9 -5.398 2.460 -8.224 83 HA MET 9 HA MET 9 -3.656 0.293 -7.903 84 HB2 MET 9 2HB MET 9 -6.001 0.106 -8.666 85 HB3 MET 9 1HB MET 9 -5.559 0.851 -10.193 86 HG2 MET 9 2HG MET 9 -4.122 -1.033 -10.721 87 HG3 MET 9 1HG MET 9 -4.503 -1.772 -9.167 88 HE1 MET 9 3HE MET 9 -7.612 -1.047 -8.894 89 HE2 MET 9 1HE MET 9 -6.946 -2.632 -8.499 90 HE3 MET 9 2HE MET 9 -8.345 -2.505 -9.564 91 H GLU 10 HN GLU 10 -3.940 2.653 -10.533 92 HA GLU 10 HA GLU 10 -1.872 1.695 -12.149 93 HB2 GLU 10 2HB GLU 10 -3.248 4.334 -11.787 94 HB3 GLU 10 1HB GLU 10 -1.920 4.175 -12.906 95 HG2 GLU 10 2HG GLU 10 -4.467 2.586 -12.981 96 HG3 GLU 10 1HG GLU 10 -4.082 3.963 -14.011 97 H GLU 11 HN GLU 11 -1.859 3.883 -9.379 98 HA GLU 11 HA GLU 11 0.815 4.751 -9.621 99 HB2 GLU 11 2HB GLU 11 -1.241 4.710 -7.462 100 HB3 GLU 11 1HB GLU 11 0.415 5.056 -7.026 101 HG2 GLU 11 2HG GLU 11 0.381 6.863 -8.782 102 HG3 GLU 11 1HG GLU 11 -1.356 6.585 -8.898 103 H MET 12 HN MET 12 -0.681 2.129 -7.762 104 HA MET 12 HA MET 12 1.722 1.176 -6.616 105 HB2 MET 12 2HB MET 12 -0.885 -0.250 -7.199 106 HB3 MET 12 1HB MET 12 0.421 -0.934 -6.243 107 HG2 MET 12 2HG MET 12 0.196 0.922 -4.646 108 HG3 MET 12 1HG MET 12 -1.157 1.542 -5.590 109 HE1 MET 12 3HE MET 12 -2.602 -1.176 -6.466 110 HE2 MET 12 1HE MET 12 -3.482 0.233 -5.880 111 HE3 MET 12 2HE MET 12 -3.790 -1.355 -5.175 112 H LEU 13 HN LEU 13 -0.023 0.340 -9.568 113 HA LEU 13 HA LEU 13 1.618 -1.758 -10.430 114 HB2 LEU 13 2HB LEU 13 -0.087 0.215 -11.933 115 HB3 LEU 13 1HB LEU 13 0.763 -1.087 -12.736 116 HG LEU 13 HG LEU 13 -1.373 -1.410 -10.625 117 HD11 LEU 13 1HD1 LEU 13 -2.714 -2.321 -12.443 118 HD12 LEU 13 2HD1 LEU 13 -1.414 -1.983 -13.586 119 HD13 LEU 13 3HD1 LEU 13 -2.245 -0.654 -12.775 120 HD21 LEU 13 3HD2 LEU 13 0.125 -3.488 -12.219 121 HD22 LEU 13 1HD2 LEU 13 -1.216 -3.797 -11.115 122 HD23 LEU 13 2HD2 LEU 13 0.311 -3.172 -10.495 123 H ALA 14 HN ALA 14 1.844 1.729 -10.985 124 HA ALA 14 HA ALA 14 3.998 1.653 -12.789 125 HB1 ALA 14 1HB ALA 14 2.564 3.619 -12.452 126 HB2 ALA 14 2HB ALA 14 4.277 4.011 -12.311 127 HB3 ALA 14 3HB ALA 14 3.286 3.857 -10.860 128 H HIS 15 HN HIS 15 3.910 1.847 -9.258 129 HA HIS 15 HA HIS 15 6.727 2.159 -8.969 130 HB2 HIS 15 2HB HIS 15 5.053 2.760 -7.211 131 HB3 HIS 15 1HB HIS 15 4.788 1.044 -6.937 132 HD1 HIS 15 1HD HIS 15 8.104 2.871 -7.351 133 HD2 HIS 15 2HD HIS 15 6.019 0.601 -4.558 134 HE1 HIS 15 1HE HIS 15 9.690 2.531 -5.439 135 HE2 HIS 15 2HE HIS 15 8.330 1.355 -3.671 136 H ALA 16 HN ALA 16 4.560 -0.615 -8.977 137 HA ALA 16 HA ALA 16 6.399 -2.577 -8.178 138 HB1 ALA 16 1HB ALA 16 3.977 -2.936 -8.261 139 HB2 ALA 16 2HB ALA 16 4.852 -4.186 -9.144 140 HB3 ALA 16 3HB ALA 16 4.034 -2.892 -10.023 141 H ARG 17 HN ARG 17 5.416 -1.596 -11.466 142 HA ARG 17 HA ARG 17 7.206 -3.309 -12.811 143 HB2 ARG 17 2HB ARG 17 6.694 -2.025 -14.812 144 HB3 ARG 17 1HB ARG 17 5.230 -2.366 -13.898 145 HG2 ARG 17 2HG ARG 17 5.448 -0.080 -12.903 146 HG3 ARG 17 1HG ARG 17 6.735 0.214 -14.069 147 HD2 ARG 17 2HD ARG 17 3.904 -0.562 -14.759 148 HD3 ARG 17 1HD ARG 17 4.543 1.079 -14.815 149 HE ARG 17 HE ARG 17 6.225 -0.381 -16.415 150 HH11 ARG 17 1HH1 ARG 17 2.771 0.234 -16.344 151 HH12 ARG 17 2HH1 ARG 17 2.583 0.100 -18.069 152 HH21 ARG 17 1HH2 ARG 17 5.987 -0.549 -18.660 153 HH22 ARG 17 2HH2 ARG 17 4.418 -0.356 -19.388 154 H GLN 18 HN GLN 18 7.526 -0.097 -11.537 155 HA GLN 18 HA GLN 18 9.856 0.775 -12.759 156 HB2 GLN 18 2HB GLN 18 8.582 2.281 -11.463 157 HB3 GLN 18 1HB GLN 18 8.654 1.256 -10.046 158 HG2 GLN 18 2HG GLN 18 11.033 1.735 -9.813 159 HG3 GLN 18 1HG GLN 18 10.962 2.761 -11.245 160 HE21 GLN 18 1HE2 GLN 18 10.091 4.786 -11.098 161 HE22 GLN 18 2HE2 GLN 18 9.637 5.517 -9.597 162 H ALA 19 HN ALA 19 9.464 -1.208 -9.861 163 HA ALA 19 HA ALA 19 12.317 -1.154 -9.341 164 HB1 ALA 19 1HB ALA 19 11.800 -2.315 -7.286 165 HB2 ALA 19 2HB ALA 19 10.143 -2.584 -7.829 166 HB3 ALA 19 3HB ALA 19 10.708 -0.947 -7.505 167 H LEU 20 HN LEU 20 10.389 -3.055 -11.280 168 HA LEU 20 HA LEU 20 11.166 -5.669 -10.723 169 HB2 LEU 20 2HB LEU 20 10.468 -4.362 -13.344 170 HB3 LEU 20 1HB LEU 20 10.693 -6.088 -13.155 171 HG LEU 20 HG LEU 20 8.572 -4.416 -11.805 172 HD11 LEU 20 1HD1 LEU 20 8.386 -6.506 -13.969 173 HD12 LEU 20 2HD1 LEU 20 8.148 -4.770 -14.174 174 HD13 LEU 20 3HD1 LEU 20 7.024 -5.705 -13.187 175 HD21 LEU 20 3HD2 LEU 20 9.356 -6.252 -10.378 176 HD22 LEU 20 1HD2 LEU 20 9.044 -7.394 -11.683 177 HD23 LEU 20 2HD2 LEU 20 7.706 -6.516 -10.942 178 HA PRO 21 HA PRO 21 11.659 -7.421 -11.418 179 HB2 PRO 21 2HB PRO 21 13.365 -9.472 -11.397 180 HB3 PRO 21 1HB PRO 21 12.813 -8.752 -12.914 181 HG2 PRO 21 2HG PRO 21 15.442 -8.531 -11.567 182 HG3 PRO 21 1HG PRO 21 15.047 -8.418 -13.289 183 HD2 PRO 21 2HD PRO 21 15.463 -6.274 -11.438 184 HD3 PRO 21 1HD PRO 21 15.009 -6.159 -13.149 185 H ASN 22 HN ASN 22 13.346 -5.641 -9.531 186 HA ASN 22 HA ASN 22 13.897 -7.491 -7.348 187 HB2 ASN 22 2HB ASN 22 14.009 -4.463 -7.349 188 HB3 ASN 22 1HB ASN 22 14.653 -5.530 -6.109 189 HD21 ASN 22 1HD2 ASN 22 16.045 -3.512 -7.558 190 HD22 ASN 22 2HD2 ASN 22 17.320 -4.285 -8.432 191 H GLU 23 HN GLU 23 13.041 -6.290 -5.107 192 HA GLU 23 HA GLU 23 10.145 -6.401 -5.413 193 HB2 GLU 23 2HB GLU 23 10.033 -6.584 -3.000 194 HB3 GLU 23 1HB GLU 23 11.187 -7.749 -3.629 195 HG2 GLU 23 2HG GLU 23 12.011 -5.087 -2.528 196 HG3 GLU 23 1HG GLU 23 11.825 -6.515 -1.517 197 H ALA 24 HN ALA 24 8.750 -4.778 -4.631 198 HA ALA 24 HA ALA 24 10.007 -2.119 -4.480 199 HB1 ALA 24 1HB ALA 24 8.776 -2.472 -6.574 200 HB2 ALA 24 2HB ALA 24 8.043 -1.210 -5.583 201 HB3 ALA 24 3HB ALA 24 7.316 -2.815 -5.643 202 H CYS 25 HN CYS 25 9.647 -1.000 -2.684 203 HA CYS 25 HA CYS 25 7.346 -1.744 -1.012 204 HB2 CYS 25 2HB CYS 25 8.732 -0.819 0.890 205 HB3 CYS 25 1HB CYS 25 9.345 -2.301 0.165 206 HG CYS 25 HG CYS 25 10.675 0.812 0.117 207 H GLY 26 HN GLY 26 6.212 -0.062 0.045 208 HA2 GLY 26 2HA GLY 26 6.907 2.690 -0.270 209 HA3 GLY 26 1HA GLY 26 5.637 2.217 -1.392 210 H LEU 27 HN LEU 27 4.579 3.977 0.025 211 HA LEU 27 HA LEU 27 3.276 2.637 2.308 212 HB2 LEU 27 2HB LEU 27 4.124 5.518 2.054 213 HB3 LEU 27 1HB LEU 27 2.996 4.959 3.272 214 HG LEU 27 HG LEU 27 5.879 4.097 3.000 215 HD11 LEU 27 1HD1 LEU 27 6.197 5.299 5.091 216 HD12 LEU 27 2HD1 LEU 27 4.505 5.798 5.077 217 HD13 LEU 27 3HD1 LEU 27 5.607 6.381 3.829 218 HD21 LEU 27 3HD2 LEU 27 5.518 2.914 5.102 219 HD22 LEU 27 1HD2 LEU 27 4.463 2.290 3.834 220 HD23 LEU 27 2HD2 LEU 27 3.814 3.364 5.072 221 H LEU 28 HN LEU 28 1.109 3.352 2.772 222 HA LEU 28 HA LEU 28 -0.275 4.475 0.424 223 HB2 LEU 28 2HB LEU 28 -1.190 2.298 2.303 224 HB3 LEU 28 1HB LEU 28 -2.229 3.073 1.122 225 HG LEU 28 HG LEU 28 0.268 1.527 0.426 226 HD11 LEU 28 1HD1 LEU 28 -1.234 -0.236 -0.299 227 HD12 LEU 28 2HD1 LEU 28 -2.623 0.692 0.264 228 HD13 LEU 28 3HD1 LEU 28 -1.440 0.086 1.423 229 HD21 LEU 28 3HD2 LEU 28 -0.365 3.244 -1.204 230 HD22 LEU 28 1HD2 LEU 28 -1.990 2.567 -1.284 231 HD23 LEU 28 2HD2 LEU 28 -0.611 1.618 -1.842 232 H GLY 29 HN GLY 29 -1.621 6.140 0.782 233 HA2 GLY 29 2HA GLY 29 -2.110 6.868 3.599 234 HA3 GLY 29 1HA GLY 29 -1.632 8.051 2.395 235 H GLY 30 HN GLY 30 -3.937 8.110 4.045 236 HA2 GLY 30 2HA GLY 30 -5.885 9.059 2.389 237 HA3 GLY 30 1HA GLY 30 -6.236 7.338 2.512 238 H ARG 31 HN ARG 31 -8.191 7.737 3.639 239 HA ARG 31 HA ARG 31 -7.689 8.443 6.449 240 HB2 ARG 31 2HB ARG 31 -9.945 9.321 4.690 241 HB3 ARG 31 1HB ARG 31 -10.200 9.146 6.420 242 HG2 ARG 31 2HG ARG 31 -7.980 10.626 6.479 243 HG3 ARG 31 1HG ARG 31 -8.628 11.154 4.923 244 HD2 ARG 31 2HD ARG 31 -9.431 12.597 6.710 245 HD3 ARG 31 1HD ARG 31 -10.767 11.688 6.001 246 HE ARG 31 HE ARG 31 -9.473 10.778 8.488 247 HH11 ARG 31 1HH1 ARG 31 -12.328 11.841 6.758 248 HH12 ARG 31 2HH1 ARG 31 -13.422 11.353 8.019 249 HH21 ARG 31 1HH2 ARG 31 -10.925 10.147 10.163 250 HH22 ARG 31 2HH2 ARG 31 -12.632 10.402 9.934 251 H ARG 32 HN ARG 32 -8.635 7.222 7.989 252 HA ARG 32 HA ARG 32 -10.251 4.943 7.072 253 HB2 ARG 32 2HB ARG 32 -9.347 3.661 8.980 254 HB3 ARG 32 1HB ARG 32 -8.081 4.161 7.867 255 HG2 ARG 32 2HG ARG 32 -7.440 5.958 9.363 256 HG3 ARG 32 1HG ARG 32 -8.755 5.534 10.461 257 HD2 ARG 32 2HD ARG 32 -6.444 3.744 9.722 258 HD3 ARG 32 1HD ARG 32 -6.580 4.670 11.214 259 HE ARG 32 HE ARG 32 -8.331 2.419 10.459 260 HH11 ARG 32 1HH1 ARG 32 -6.976 4.559 12.873 261 HH12 ARG 32 2HH1 ARG 32 -7.463 3.556 14.213 262 HH21 ARG 32 1HH2 ARG 32 -8.976 1.098 12.228 263 HH22 ARG 32 2HH2 ARG 32 -8.610 1.613 13.844 264 H ASP 33 HN ASP 33 -12.197 4.709 7.981 265 HA ASP 33 HA ASP 33 -12.922 6.644 10.088 266 HB2 ASP 33 2HB ASP 33 -14.180 6.159 7.720 267 HB3 ASP 33 1HB ASP 33 -15.059 5.067 8.784 268 H GLY 34 HN GLY 34 -11.470 4.179 10.490 269 HA2 GLY 34 2HA GLY 34 -11.875 2.942 12.635 270 HA3 GLY 34 1HA GLY 34 -13.438 2.529 11.932 271 H ASP 35 HN ASP 35 -13.588 0.744 10.737 272 HA ASP 35 HA ASP 35 -11.101 -0.680 10.135 273 HB2 ASP 35 2HB ASP 35 -13.968 -1.647 10.106 274 HB3 ASP 35 1HB ASP 35 -12.559 -2.647 9.764 275 H ASP 36 HN ASP 36 -13.158 1.419 8.654 276 HA ASP 36 HA ASP 36 -12.616 0.261 6.012 277 HB2 ASP 36 2HB ASP 36 -14.455 2.531 6.682 278 HB3 ASP 36 1HB ASP 36 -14.219 1.854 5.091 279 H ARG 37 HN ARG 37 -11.529 1.313 4.557 280 HA ARG 37 HA ARG 37 -9.988 3.660 5.384 281 HB2 ARG 37 2HB ARG 37 -7.975 2.350 4.336 282 HB3 ARG 37 1HB ARG 37 -8.461 2.035 5.998 283 HG2 ARG 37 2HG ARG 37 -9.915 0.170 5.006 284 HG3 ARG 37 1HG ARG 37 -8.931 0.369 3.556 285 HD2 ARG 37 2HD ARG 37 -6.997 -0.353 4.620 286 HD3 ARG 37 1HD ARG 37 -7.640 -0.010 6.228 287 HE ARG 37 HE ARG 37 -9.160 -2.017 4.893 288 HH11 ARG 37 1HH1 ARG 37 -6.142 -1.519 6.594 289 HH12 ARG 37 2HH1 ARG 37 -6.106 -3.126 7.247 290 HH21 ARG 37 1HH2 ARG 37 -9.126 -4.135 5.745 291 HH22 ARG 37 2HH2 ARG 37 -7.790 -4.619 6.750 292 H TRP 38 HN TRP 38 -9.927 5.153 3.822 293 HA TRP 38 HA TRP 38 -10.334 4.264 1.040 294 HB2 TRP 38 2HB TRP 38 -10.722 7.017 2.243 295 HB3 TRP 38 1HB TRP 38 -11.010 6.585 0.561 296 HD1 TRP 38 1HD TRP 38 -13.179 5.015 0.057 297 HE1 TRP 38 1HE TRP 38 -15.358 4.690 1.388 298 HE3 TRP 38 3HE TRP 38 -11.676 6.933 4.549 299 HZ2 TRP 38 2HZ TRP 38 -16.309 5.184 3.995 300 HZ3 TRP 38 3HZ TRP 38 -13.279 6.970 6.407 301 HH2 TRP 38 2HH TRP 38 -15.549 6.107 6.137 302 H VAL 39 HN VAL 39 -8.615 4.264 -0.219 303 HA VAL 39 HA VAL 39 -6.186 5.611 0.688 304 HB VAL 39 HB VAL 39 -6.519 3.777 -1.688 305 HG11 VAL 39 1HG1 VAL 39 -4.059 4.576 -0.135 306 HG12 VAL 39 2HG1 VAL 39 -4.512 5.175 -1.729 307 HG13 VAL 39 3HG1 VAL 39 -4.109 3.472 -1.510 308 HG21 VAL 39 3HG2 VAL 39 -7.194 2.592 0.318 309 HG22 VAL 39 1HG2 VAL 39 -5.710 3.082 1.134 310 HG23 VAL 39 2HG2 VAL 39 -5.636 1.990 -0.249 311 H GLU 40 HN GLU 40 -6.156 7.707 0.114 312 HA GLU 40 HA GLU 40 -6.984 8.417 -2.612 313 HB2 GLU 40 2HB GLU 40 -6.603 10.157 -0.175 314 HB3 GLU 40 1HB GLU 40 -7.004 10.765 -1.773 315 HG2 GLU 40 2HG GLU 40 -9.076 9.410 -1.714 316 HG3 GLU 40 1HG GLU 40 -8.685 8.958 -0.056 317 H ARG 41 HN ARG 41 -4.217 7.952 -0.702 318 HA ARG 41 HA ARG 41 -2.599 9.359 -2.716 319 HB2 ARG 41 2HB ARG 41 -2.906 10.582 -0.433 320 HB3 ARG 41 1HB ARG 41 -1.788 9.367 0.173 321 HG2 ARG 41 2HG ARG 41 -0.489 11.254 -0.369 322 HG3 ARG 41 1HG ARG 41 -0.203 10.080 -1.657 323 HD2 ARG 41 2HD ARG 41 -1.797 11.231 -3.087 324 HD3 ARG 41 1HD ARG 41 -2.157 12.378 -1.798 325 HE ARG 41 HE ARG 41 0.040 12.460 -3.610 326 HH11 ARG 41 1HH1 ARG 41 -0.858 13.217 -0.320 327 HH12 ARG 41 2HH1 ARG 41 0.247 14.549 -0.167 328 HH21 ARG 41 1HH2 ARG 41 1.457 14.267 -3.456 329 HH22 ARG 41 2HH2 ARG 41 1.520 15.179 -1.979 330 H VAL 42 HN VAL 42 -0.892 8.226 -3.443 331 HA VAL 42 HA VAL 42 -0.084 5.815 -1.942 332 HB VAL 42 HB VAL 42 0.043 6.290 -4.933 333 HG11 VAL 42 1HG1 VAL 42 1.972 5.002 -4.140 334 HG12 VAL 42 2HG1 VAL 42 0.883 4.006 -5.105 335 HG13 VAL 42 3HG1 VAL 42 0.884 3.861 -3.347 336 HG21 VAL 42 3HG2 VAL 42 -1.608 4.350 -3.322 337 HG22 VAL 42 1HG2 VAL 42 -1.549 4.453 -5.082 338 HG23 VAL 42 2HG2 VAL 42 -2.206 5.793 -4.145 339 H TYR 43 HN TYR 43 2.061 5.589 -1.459 340 HA TYR 43 HA TYR 43 3.824 7.754 -2.382 341 HB2 TYR 43 2HB TYR 43 3.656 6.435 0.317 342 HB3 TYR 43 1HB TYR 43 5.064 7.363 -0.193 343 HD1 TYR 43 2HD TYR 43 4.632 9.777 -0.990 344 HD2 TYR 43 1HD TYR 43 1.852 7.525 1.307 345 HE1 TYR 43 2HE TYR 43 3.532 11.860 -0.289 346 HE2 TYR 43 1HE TYR 43 0.743 9.601 2.006 347 HH TYR 43 HH TYR 43 1.447 12.064 2.253 348 HA PRO 44 HA PRO 44 5.958 3.991 -3.885 349 HB2 PRO 44 2HB PRO 44 6.869 5.843 -5.965 350 HB3 PRO 44 1HB PRO 44 6.020 4.304 -6.137 351 HG2 PRO 44 2HG PRO 44 4.837 6.671 -6.675 352 HG3 PRO 44 1HG PRO 44 3.942 5.285 -6.028 353 HD2 PRO 44 2HD PRO 44 4.969 7.710 -4.602 354 HD3 PRO 44 1HD PRO 44 3.417 6.864 -4.413 355 H LEU 45 HN LEU 45 7.229 4.370 -1.952 356 HA LEU 45 HA LEU 45 9.297 6.363 -1.998 357 HB2 LEU 45 2HB LEU 45 8.775 4.090 -0.080 358 HB3 LEU 45 1HB LEU 45 9.991 5.333 0.149 359 HG LEU 45 HG LEU 45 7.005 5.789 0.047 360 HD11 LEU 45 1HD1 LEU 45 7.761 4.667 2.086 361 HD12 LEU 45 2HD1 LEU 45 7.221 6.315 2.407 362 HD13 LEU 45 3HD1 LEU 45 8.945 5.948 2.347 363 HD21 LEU 45 3HD2 LEU 45 7.542 8.083 0.696 364 HD22 LEU 45 1HD2 LEU 45 8.244 7.681 -0.871 365 HD23 LEU 45 2HD2 LEU 45 9.263 7.719 0.568 366 H ASN 46 HN ASN 46 11.522 5.262 -1.034 367 HA ASN 46 HA ASN 46 12.433 3.758 -3.378 368 HB2 ASN 46 2HB ASN 46 13.603 5.849 -2.943 369 HB3 ASN 46 1HB ASN 46 13.960 5.344 -1.297 370 HD21 ASN 46 1HD2 ASN 46 15.620 3.919 -0.922 371 HD22 ASN 46 2HD2 ASN 46 16.750 3.448 -2.143 372 H ASN 47 HN ASN 47 13.569 1.856 -3.212 373 HA ASN 47 HA ASN 47 13.475 0.531 -0.600 374 HB2 ASN 47 2HB ASN 47 12.415 -0.724 -2.417 375 HB3 ASN 47 1HB ASN 47 13.896 -0.640 -3.363 376 HD21 ASN 47 1HD2 ASN 47 13.797 -2.941 -3.442 377 HD22 ASN 47 2HD2 ASN 47 14.361 -3.891 -2.117 378 H LEU 48 HN LEU 48 15.253 0.580 0.556 379 HA LEU 48 HA LEU 48 17.737 1.489 -0.465 380 HB2 LEU 48 2HB LEU 48 16.878 0.298 2.157 381 HB3 LEU 48 1HB LEU 48 18.552 0.701 1.840 382 HG LEU 48 HG LEU 48 17.459 2.445 3.122 383 HD11 LEU 48 1HD1 LEU 48 18.032 4.362 1.729 384 HD12 LEU 48 2HD1 LEU 48 18.052 3.324 0.303 385 HD13 LEU 48 3HD1 LEU 48 19.238 3.083 1.586 386 HD21 LEU 48 3HD2 LEU 48 15.166 2.153 2.377 387 HD22 LEU 48 1HD2 LEU 48 15.599 2.749 0.774 388 HD23 LEU 48 2HD2 LEU 48 15.686 3.825 2.169 389 H ASP 49 HN ASP 49 16.263 -1.562 -0.469 390 HA ASP 49 HA ASP 49 18.833 -2.962 -0.607 391 HB2 ASP 49 2HB ASP 49 16.144 -3.729 0.218 392 HB3 ASP 49 1HB ASP 49 16.845 -4.870 -0.922 393 H GLN 50 HN GLN 50 19.116 -4.574 -2.265 394 HA GLN 50 HA GLN 50 17.528 -4.203 -4.704 395 HB2 GLN 50 2HB GLN 50 20.547 -4.367 -4.523 396 HB3 GLN 50 1HB GLN 50 19.642 -4.531 -6.022 397 HG2 GLN 50 2HG GLN 50 18.808 -2.277 -5.809 398 HG3 GLN 50 1HG GLN 50 19.603 -2.105 -4.244 399 HE21 GLN 50 1HE2 GLN 50 21.815 -1.823 -4.157 400 HE22 GLN 50 2HE2 GLN 50 22.759 -1.418 -5.555 401 H SER 51 HN SER 51 16.450 -6.064 -3.823 402 HA SER 51 HA SER 51 18.023 -8.545 -3.925 403 HB2 SER 51 2HB SER 51 15.974 -7.782 -1.823 404 HB3 SER 51 1HB SER 51 16.831 -9.319 -1.915 405 HG SER 51 HG SER 51 17.682 -6.874 -0.975 406 HA PRO 52 HA PRO 52 14.193 -10.073 -5.785 407 HB2 PRO 52 2HB PRO 52 14.576 -12.703 -5.654 408 HB3 PRO 52 1HB PRO 52 15.631 -11.686 -6.643 409 HG2 PRO 52 2HG PRO 52 16.156 -12.956 -4.005 410 HG3 PRO 52 1HG PRO 52 17.276 -12.627 -5.337 411 HD2 PRO 52 2HD PRO 52 16.890 -11.070 -2.997 412 HD3 PRO 52 1HD PRO 52 17.857 -10.636 -4.420 413 H GLU 53 HN GLU 53 14.610 -9.923 -2.564 414 HA GLU 53 HA GLU 53 12.167 -11.375 -1.920 415 HB2 GLU 53 2HB GLU 53 14.811 -11.993 -0.600 416 HB3 GLU 53 1HB GLU 53 13.253 -12.516 0.019 417 HG2 GLU 53 2HG GLU 53 12.888 -13.789 -2.061 418 HG3 GLU 53 1HG GLU 53 14.494 -13.307 -2.609 419 H HIS 54 HN HIS 54 14.831 -9.373 -0.619 420 HA HIS 54 HA HIS 54 13.013 -8.551 1.547 421 HB2 HIS 54 2HB HIS 54 16.022 -8.582 1.500 422 HB3 HIS 54 1HB HIS 54 15.062 -7.922 2.806 423 HD1 HIS 54 1HD HIS 54 16.545 -9.777 4.145 424 HD2 HIS 54 2HD HIS 54 13.513 -11.187 1.673 425 HE1 HIS 54 1HE HIS 54 16.111 -12.141 4.879 426 HE2 HIS 54 2HE HIS 54 14.121 -12.892 3.520 427 H PHE 55 HN PHE 55 12.532 -6.526 1.842 428 HA PHE 55 HA PHE 55 13.903 -4.484 0.245 429 HB2 PHE 55 2HB PHE 55 11.726 -3.234 0.251 430 HB3 PHE 55 1HB PHE 55 11.693 -4.737 -0.663 431 HD1 PHE 55 1HD PHE 55 10.491 -3.006 2.332 432 HD2 PHE 55 2HD PHE 55 10.368 -6.608 0.070 433 HE1 PHE 55 1HE PHE 55 8.515 -3.736 3.607 434 HE2 PHE 55 2HE PHE 55 8.397 -7.343 1.340 435 HZ PHE 55 HZ PHE 55 7.466 -5.907 3.111 436 H SER 56 HN SER 56 14.213 -2.458 1.212 437 HA SER 56 HA SER 56 13.685 -2.315 4.095 438 HB2 SER 56 2HB SER 56 16.333 -1.668 2.778 439 HB3 SER 56 1HB SER 56 15.947 -1.409 4.479 440 HG SER 56 HG SER 56 16.690 -3.700 3.177 441 H MET 57 HN MET 57 13.155 -0.334 4.839 442 HA MET 57 HA MET 57 13.075 1.864 2.879 443 HB2 MET 57 2HB MET 57 11.076 1.254 5.069 444 HB3 MET 57 1HB MET 57 10.992 2.608 3.952 445 HG2 MET 57 2HG MET 57 10.657 1.130 2.095 446 HG3 MET 57 1HG MET 57 10.912 -0.281 3.120 447 HE1 MET 57 3HE MET 57 8.534 2.752 2.325 448 HE2 MET 57 1HE MET 57 8.931 2.980 4.028 449 HE3 MET 57 2HE MET 57 7.287 2.542 3.558 450 H ASP 58 HN ASP 58 13.359 4.003 3.758 451 HA ASP 58 HA ASP 58 14.918 3.961 6.246 452 HB2 ASP 58 2HB ASP 58 15.752 5.061 4.071 453 HB3 ASP 58 1HB ASP 58 14.569 6.322 4.395 454 HA PRO 59 HA PRO 59 11.607 5.629 8.652 455 HB2 PRO 59 2HB PRO 59 13.104 7.210 10.361 456 HB3 PRO 59 1HB PRO 59 12.816 5.480 10.568 457 HG2 PRO 59 2HG PRO 59 15.183 6.884 9.402 458 HG3 PRO 59 1HG PRO 59 15.130 5.462 10.462 459 HD2 PRO 59 2HD PRO 59 15.571 5.223 7.833 460 HD3 PRO 59 1HD PRO 59 14.593 4.031 8.716 461 H ARG 60 HN ARG 60 13.981 7.769 7.168 462 HA ARG 60 HA ARG 60 12.602 10.170 7.828 463 HB2 ARG 60 2HB ARG 60 14.176 11.319 6.485 464 HB3 ARG 60 1HB ARG 60 15.054 10.002 7.243 465 HG2 ARG 60 2HG ARG 60 14.739 8.706 5.116 466 HG3 ARG 60 1HG ARG 60 14.123 10.193 4.392 467 HD2 ARG 60 2HD ARG 60 16.469 9.949 3.882 468 HD3 ARG 60 1HD ARG 60 16.238 11.315 4.975 469 HE ARG 60 HE ARG 60 16.963 8.704 6.098 470 HH11 ARG 60 1HH1 ARG 60 17.842 12.018 5.333 471 HH12 ARG 60 2HH1 ARG 60 19.209 12.035 6.413 472 HH21 ARG 60 1HH2 ARG 60 18.785 8.708 7.469 473 HH22 ARG 60 2HH2 ARG 60 19.758 10.145 7.606 474 H GLU 61 HN GLU 61 12.647 8.109 4.920 475 HA GLU 61 HA GLU 61 10.971 9.890 3.453 476 HB2 GLU 61 2HB GLU 61 10.802 8.108 1.795 477 HB3 GLU 61 1HB GLU 61 12.469 8.346 2.295 478 HG2 GLU 61 2HG GLU 61 12.163 6.395 3.849 479 HG3 GLU 61 1HG GLU 61 10.618 6.105 3.049 480 H GLN 62 HN GLN 62 10.423 7.108 5.513 481 HA GLN 62 HA GLN 62 7.669 6.780 5.084 482 HB2 GLN 62 2HB GLN 62 9.271 6.414 7.622 483 HB3 GLN 62 1HB GLN 62 7.621 5.856 7.396 484 HG2 GLN 62 2HG GLN 62 8.383 4.384 5.589 485 HG3 GLN 62 1HG GLN 62 10.039 4.927 5.864 486 HE21 GLN 62 1HE2 GLN 62 7.382 3.082 7.126 487 HE22 GLN 62 2HE2 GLN 62 8.267 2.243 8.356 488 H LEU 63 HN LEU 63 9.428 8.796 7.406 489 HA LEU 63 HA LEU 63 7.168 9.972 8.609 490 HB2 LEU 63 2HB LEU 63 9.387 9.972 9.635 491 HB3 LEU 63 1HB LEU 63 9.994 11.003 8.354 492 HG LEU 63 HG LEU 63 8.456 12.793 9.105 493 HD11 LEU 63 1HD1 LEU 63 6.752 11.377 10.145 494 HD12 LEU 63 2HD1 LEU 63 7.349 12.605 11.263 495 HD13 LEU 63 3HD1 LEU 63 7.896 10.935 11.415 496 HD21 LEU 63 3HD2 LEU 63 9.709 13.365 11.134 497 HD22 LEU 63 1HD2 LEU 63 10.767 12.763 9.857 498 HD23 LEU 63 2HD2 LEU 63 10.332 11.717 11.207 499 H THR 64 HN THR 64 9.179 10.939 5.869 500 HA THR 64 HA THR 64 8.123 13.487 5.436 501 HB THR 64 HB THR 64 9.155 11.574 3.321 502 HG1 THR 64 1HG THR 64 10.689 11.907 5.004 503 HG21 THR 64 3HG2 THR 64 7.989 13.522 2.388 504 HG22 THR 64 1HG2 THR 64 9.726 13.626 2.089 505 HG23 THR 64 2HG2 THR 64 8.989 14.594 3.366 506 H ALA 65 HN ALA 65 6.971 10.323 4.403 507 HA ALA 65 HA ALA 65 4.917 11.250 2.688 508 HB1 ALA 65 1HB ALA 65 5.124 8.634 4.177 509 HB2 ALA 65 2HB ALA 65 5.818 8.974 2.592 510 HB3 ALA 65 3HB ALA 65 4.068 8.971 2.804 511 H VAL 66 HN VAL 66 4.955 10.262 6.092 512 HA VAL 66 HA VAL 66 2.192 10.670 6.564 513 HB VAL 66 HB VAL 66 4.456 10.800 8.570 514 HG11 VAL 66 1HG1 VAL 66 2.391 11.730 9.442 515 HG12 VAL 66 2HG1 VAL 66 2.730 10.178 10.206 516 HG13 VAL 66 3HG1 VAL 66 1.505 10.291 8.941 517 HG21 VAL 66 3HG2 VAL 66 4.507 8.702 7.343 518 HG22 VAL 66 1HG2 VAL 66 2.792 8.445 7.673 519 HG23 VAL 66 2HG2 VAL 66 3.960 8.435 8.997 520 H LYS 67 HN LYS 67 4.999 12.712 6.695 521 HA LYS 67 HA LYS 67 4.027 14.939 8.055 522 HB2 LYS 67 2HB LYS 67 6.385 14.496 7.434 523 HB3 LYS 67 1HB LYS 67 5.991 14.813 5.758 524 HG2 LYS 67 2HG LYS 67 5.416 17.133 6.369 525 HG3 LYS 67 1HG LYS 67 5.940 16.790 8.022 526 HD2 LYS 67 2HD LYS 67 8.159 16.164 7.172 527 HD3 LYS 67 1HD LYS 67 7.634 16.558 5.536 528 HE2 LYS 67 2HE LYS 67 7.204 18.889 6.324 529 HE3 LYS 67 1HE LYS 67 7.939 18.441 7.865 530 HZ1 LYS 67 3HZ LYS 67 9.581 19.473 6.475 531 HZ2 LYS 67 1HZ LYS 67 9.254 18.396 5.206 532 HZ3 LYS 67 2HZ LYS 67 9.963 17.828 6.634 533 H ASP 68 HN ASP 68 3.971 14.197 4.581 534 HA ASP 68 HA ASP 68 2.639 16.578 3.796 535 HB2 ASP 68 2HB ASP 68 3.940 15.024 2.276 536 HB3 ASP 68 1HB ASP 68 2.575 13.920 2.355 537 H MET 69 HN MET 69 1.564 13.331 4.610 538 HA MET 69 HA MET 69 -1.137 13.664 3.867 539 HB2 MET 69 2HB MET 69 0.217 11.732 5.731 540 HB3 MET 69 1HB MET 69 -1.514 11.688 5.424 541 HG2 MET 69 2HG MET 69 -1.010 11.430 3.007 542 HG3 MET 69 1HG MET 69 0.698 11.311 3.427 543 HE1 MET 69 3HE MET 69 0.847 7.982 5.450 544 HE2 MET 69 1HE MET 69 0.707 9.616 6.099 545 HE3 MET 69 2HE MET 69 1.777 9.299 4.732 546 H ARG 70 HN ARG 70 0.447 13.949 7.059 547 HA ARG 70 HA ARG 70 -1.997 14.363 8.441 548 HB2 ARG 70 2HB ARG 70 -0.670 14.930 10.356 549 HB3 ARG 70 1HB ARG 70 0.098 13.588 9.524 550 HG2 ARG 70 2HG ARG 70 1.683 15.174 8.496 551 HG3 ARG 70 1HG ARG 70 0.940 16.477 9.432 552 HD2 ARG 70 2HD ARG 70 1.448 15.103 11.493 553 HD3 ARG 70 1HD ARG 70 2.433 14.074 10.456 554 HE ARG 70 HE ARG 70 3.227 16.747 10.089 555 HH11 ARG 70 1HH1 ARG 70 3.348 14.186 12.484 556 HH12 ARG 70 2HH1 ARG 70 4.731 14.840 13.304 557 HH21 ARG 70 1HH2 ARG 70 5.076 17.603 11.162 558 HH22 ARG 70 2HH2 ARG 70 5.702 16.781 12.571 559 H LYS 71 HN LYS 71 0.099 16.430 6.678 560 HA LYS 71 HA LYS 71 -0.762 18.929 7.677 561 HB2 LYS 71 2HB LYS 71 1.287 18.596 6.358 562 HB3 LYS 71 1HB LYS 71 0.321 18.170 4.958 563 HG2 LYS 71 2HG LYS 71 -0.577 20.398 4.840 564 HG3 LYS 71 1HG LYS 71 0.258 20.846 6.329 565 HD2 LYS 71 2HD LYS 71 2.404 20.551 5.279 566 HD3 LYS 71 1HD LYS 71 1.645 19.919 3.817 567 HE2 LYS 71 2HE LYS 71 0.610 22.066 3.390 568 HE3 LYS 71 1HE LYS 71 1.255 22.704 4.903 569 HZ1 LYS 71 3HZ LYS 71 2.989 21.671 2.734 570 HZ2 LYS 71 1HZ LYS 71 3.443 22.600 4.076 571 HZ3 LYS 71 2HZ LYS 71 2.522 23.298 2.834 572 H ASN 72 HN ASN 72 -1.922 16.801 5.119 573 HA ASN 72 HA ASN 72 -3.981 18.707 4.332 574 HB2 ASN 72 2HB ASN 72 -2.774 17.415 2.602 575 HB3 ASN 72 1HB ASN 72 -3.415 15.923 3.282 576 HD21 ASN 72 1HD2 ASN 72 -5.548 15.366 2.899 577 HD22 ASN 72 2HD2 ASN 72 -6.536 16.196 1.752 578 H GLY 73 HN GLY 73 -3.651 15.956 6.383 579 HA2 GLY 73 2HA GLY 73 -5.425 15.732 8.071 580 HA3 GLY 73 1HA GLY 73 -6.583 15.978 6.775 581 H TRP 74 HN TRP 74 -4.025 14.061 5.753 582 HA TRP 74 HA TRP 74 -5.690 11.676 5.870 583 HB2 TRP 74 2HB TRP 74 -3.145 12.333 4.392 584 HB3 TRP 74 1HB TRP 74 -3.792 10.699 4.461 585 HD1 TRP 74 1HD TRP 74 -6.798 11.125 3.908 586 HE1 TRP 74 1HE TRP 74 -7.624 11.960 1.613 587 HE3 TRP 74 3HE TRP 74 -2.501 13.371 2.296 588 HZ2 TRP 74 2HZ TRP 74 -6.567 13.404 -0.589 589 HZ3 TRP 74 3HZ TRP 74 -2.487 14.453 0.087 590 HH2 TRP 74 2HH TRP 74 -4.479 14.468 -1.325 591 H VAL 75 HN VAL 75 -4.668 9.605 6.391 592 HA VAL 75 HA VAL 75 -2.585 9.841 8.460 593 HB VAL 75 HB VAL 75 -3.658 8.014 9.711 594 HG11 VAL 75 1HG1 VAL 75 -4.148 10.297 10.371 595 HG12 VAL 75 2HG1 VAL 75 -5.569 9.279 10.603 596 HG13 VAL 75 3HG1 VAL 75 -5.480 10.369 9.219 597 HG21 VAL 75 3HG2 VAL 75 -5.932 7.291 9.184 598 HG22 VAL 75 1HG2 VAL 75 -4.831 6.935 7.851 599 HG23 VAL 75 2HG2 VAL 75 -5.931 8.309 7.745 600 H MET 76 HN MET 76 -1.295 7.890 8.738 601 HA MET 76 HA MET 76 -0.749 6.609 6.222 602 HB2 MET 76 2HB MET 76 1.073 7.176 7.769 603 HB3 MET 76 1HB MET 76 0.404 6.079 8.967 604 HG2 MET 76 2HG MET 76 0.806 4.189 7.476 605 HG3 MET 76 1HG MET 76 1.457 5.282 6.257 606 HE1 MET 76 3HE MET 76 1.971 3.692 9.807 607 HE2 MET 76 1HE MET 76 1.986 5.418 10.169 608 HE3 MET 76 2HE MET 76 3.463 4.469 10.337 609 H LEU 77 HN LEU 77 -2.157 5.151 5.520 610 HA LEU 77 HA LEU 77 -3.746 3.534 7.262 611 HB2 LEU 77 2HB LEU 77 -3.283 3.306 4.280 612 HB3 LEU 77 1HB LEU 77 -4.523 2.457 5.184 613 HG LEU 77 HG LEU 77 -4.353 5.452 4.836 614 HD11 LEU 77 1HD1 LEU 77 -4.958 4.309 2.776 615 HD12 LEU 77 2HD1 LEU 77 -6.345 5.170 3.446 616 HD13 LEU 77 3HD1 LEU 77 -6.221 3.420 3.626 617 HD21 LEU 77 3HD2 LEU 77 -6.442 3.728 6.166 618 HD22 LEU 77 1HD2 LEU 77 -6.574 5.464 5.877 619 HD23 LEU 77 2HD2 LEU 77 -5.342 4.845 6.973 620 H GLY 78 HN GLY 78 -0.851 3.052 5.338 621 HA2 GLY 78 2HA GLY 78 0.354 1.142 6.861 622 HA3 GLY 78 1HA GLY 78 -0.719 0.223 5.812 623 H ASN 79 HN ASN 79 0.758 -0.753 4.508 624 HA ASN 79 HA ASN 79 2.201 1.022 2.701 625 HB2 ASN 79 2HB ASN 79 4.278 -0.258 2.870 626 HB3 ASN 79 1HB ASN 79 3.856 0.455 4.413 627 HD21 ASN 79 1HD2 ASN 79 5.098 -0.964 5.565 628 HD22 ASN 79 2HD2 ASN 79 4.704 -2.633 5.761 629 H PHE 80 HN PHE 80 3.286 -0.397 0.944 630 HA PHE 80 HA PHE 80 1.724 -2.786 0.356 631 HB2 PHE 80 2HB PHE 80 1.085 -2.082 -1.843 632 HB3 PHE 80 1HB PHE 80 0.557 -0.832 -0.725 633 HD1 PHE 80 2HD PHE 80 1.960 1.273 -0.530 634 HD2 PHE 80 1HD PHE 80 2.491 -1.587 -3.637 635 HE1 PHE 80 2HE PHE 80 3.135 2.959 -1.876 636 HE2 PHE 80 1HE PHE 80 3.669 0.100 -4.989 637 HZ PHE 80 HZ PHE 80 3.991 2.374 -4.108 638 H HIS 81 HN HIS 81 2.749 -4.197 -1.095 639 HA HIS 81 HA HIS 81 5.219 -3.412 -2.323 640 HB2 HIS 81 2HB HIS 81 6.644 -5.084 -1.244 641 HB3 HIS 81 1HB HIS 81 6.041 -3.919 -0.077 642 HD1 HIS 81 1HD HIS 81 4.534 -4.809 1.806 643 HD2 HIS 81 2HD HIS 81 5.693 -7.710 -0.935 644 HE1 HIS 81 1HE HIS 81 3.973 -7.015 2.879 645 HE2 HIS 81 2HE HIS 81 4.892 -8.754 1.287 646 H SER 82 HN SER 82 5.984 -4.934 -3.839 647 HA SER 82 HA SER 82 3.843 -6.757 -4.705 648 HB2 SER 82 2HB SER 82 4.843 -6.320 -7.012 649 HB3 SER 82 1HB SER 82 4.027 -4.951 -6.256 650 HG SER 82 HG SER 82 6.598 -5.176 -7.033 651 H HIS 83 HN HIS 83 4.455 -8.727 -5.730 652 HA HIS 83 HA HIS 83 7.185 -9.604 -5.060 653 HB2 HIS 83 2HB HIS 83 4.692 -11.176 -5.770 654 HB3 HIS 83 1HB HIS 83 6.278 -11.906 -5.581 655 HD1 HIS 83 1HD HIS 83 3.584 -12.364 -3.825 656 HD2 HIS 83 2HD HIS 83 7.019 -10.287 -2.715 657 HE1 HIS 83 1HE HIS 83 3.618 -12.401 -1.310 658 HE2 HIS 83 2HE HIS 83 5.754 -11.236 -0.652 659 HA PRO 84 HA PRO 84 8.292 -9.240 -9.341 660 HB2 PRO 84 2HB PRO 84 10.217 -11.420 -8.838 661 HB3 PRO 84 1HB PRO 84 10.510 -9.759 -9.357 662 HG2 PRO 84 2HG PRO 84 11.126 -10.561 -6.883 663 HG3 PRO 84 1HG PRO 84 10.490 -8.934 -7.195 664 HD2 PRO 84 2HD PRO 84 9.075 -11.352 -6.130 665 HD3 PRO 84 1HD PRO 84 8.952 -9.657 -5.613 666 H ALA 85 HN ALA 85 8.419 -12.632 -8.233 667 HA ALA 85 HA ALA 85 6.664 -13.367 -10.463 668 HB1 ALA 85 1HB ALA 85 9.266 -14.768 -9.841 669 HB2 ALA 85 2HB ALA 85 8.961 -13.741 -11.240 670 HB3 ALA 85 3HB ALA 85 8.089 -15.263 -11.059 671 H THR 86 HN THR 86 5.413 -13.229 -8.323 672 HA THR 86 HA THR 86 4.932 -15.915 -7.416 673 HB THR 86 HB THR 86 5.061 -14.470 -4.980 674 HG1 THR 86 1HG THR 86 7.501 -14.337 -6.459 675 HG21 THR 86 3HG2 THR 86 6.885 -16.626 -6.062 676 HG22 THR 86 1HG2 THR 86 5.356 -16.890 -5.222 677 HG23 THR 86 2HG2 THR 86 6.720 -16.171 -4.368 678 HA PRO 87 HA PRO 87 0.825 -14.375 -7.272 679 HB2 PRO 87 2HB PRO 87 0.274 -15.996 -4.874 680 HB3 PRO 87 1HB PRO 87 -0.424 -16.110 -6.491 681 HG2 PRO 87 2HG PRO 87 1.286 -17.956 -5.590 682 HG3 PRO 87 1HG PRO 87 1.299 -17.436 -7.287 683 HD2 PRO 87 2HD PRO 87 3.118 -16.624 -5.044 684 HD3 PRO 87 1HD PRO 87 3.522 -17.041 -6.724 685 H ALA 88 HN ALA 88 -0.864 -13.399 -5.888 686 HA ALA 88 HA ALA 88 0.344 -11.467 -4.101 687 HB1 ALA 88 1HB ALA 88 -2.523 -11.730 -5.009 688 HB2 ALA 88 2HB ALA 88 -1.297 -10.716 -5.766 689 HB3 ALA 88 3HB ALA 88 -1.841 -10.366 -4.126 690 H ARG 89 HN ARG 89 0.921 -12.974 -2.436 691 HA ARG 89 HA ARG 89 -1.040 -12.976 -0.345 692 HB2 ARG 89 2HB ARG 89 -1.258 -15.175 -1.838 693 HB3 ARG 89 1HB ARG 89 0.122 -15.686 -0.877 694 HG2 ARG 89 2HG ARG 89 -1.138 -15.447 1.153 695 HG3 ARG 89 1HG ARG 89 -2.505 -14.766 0.272 696 HD2 ARG 89 2HD ARG 89 -2.631 -16.914 -1.010 697 HD3 ARG 89 1HD ARG 89 -1.423 -17.570 0.095 698 HE ARG 89 HE ARG 89 -3.493 -16.506 1.633 699 HH11 ARG 89 1HH1 ARG 89 -3.049 -19.092 -0.689 700 HH12 ARG 89 2HH1 ARG 89 -4.262 -20.114 0.030 701 HH21 ARG 89 1HH2 ARG 89 -5.109 -17.828 2.551 702 HH22 ARG 89 2HH2 ARG 89 -5.456 -19.381 1.853 703 HA PRO 90 HA PRO 90 2.809 -12.354 1.742 704 HB2 PRO 90 2HB PRO 90 1.555 -13.052 4.273 705 HB3 PRO 90 1HB PRO 90 2.092 -11.473 3.697 706 HG2 PRO 90 2HG PRO 90 -0.524 -12.116 4.011 707 HG3 PRO 90 1HG PRO 90 0.044 -10.967 2.786 708 HD2 PRO 90 2HD PRO 90 -0.723 -13.847 2.478 709 HD3 PRO 90 1HD PRO 90 -1.082 -12.466 1.419 710 H SER 91 HN SER 91 4.499 -13.683 1.869 711 HA SER 91 HA SER 91 4.133 -16.449 2.737 712 HB2 SER 91 2HB SER 91 6.550 -15.010 1.610 713 HB3 SER 91 1HB SER 91 6.467 -16.736 1.962 714 HG SER 91 HG SER 91 5.384 -17.044 0.185 715 H ALA 92 HN ALA 92 6.361 -17.156 3.983 716 HA ALA 92 HA ALA 92 6.188 -16.238 6.589 717 HB1 ALA 92 1HB ALA 92 7.260 -18.341 5.943 718 HB2 ALA 92 2HB ALA 92 8.303 -17.369 6.981 719 HB3 ALA 92 3HB ALA 92 8.605 -17.438 5.246 720 H GLU 93 HN GLU 93 8.312 -15.113 3.994 721 HA GLU 93 HA GLU 93 9.859 -13.356 5.558 722 HB2 GLU 93 2HB GLU 93 9.186 -13.232 2.612 723 HB3 GLU 93 1HB GLU 93 10.429 -12.271 3.401 724 HG2 GLU 93 2HG GLU 93 10.379 -15.271 3.170 725 HG3 GLU 93 1HG GLU 93 11.401 -14.166 2.254 726 H ASP 94 HN ASP 94 6.953 -12.821 3.591 727 HA ASP 94 HA ASP 94 6.683 -10.070 4.102 728 HB2 ASP 94 2HB ASP 94 4.477 -12.081 3.573 729 HB3 ASP 94 1HB ASP 94 4.343 -10.337 3.404 730 H LYS 95 HN LYS 95 5.693 -12.915 5.864 731 HA LYS 95 HA LYS 95 3.847 -11.702 7.616 732 HB2 LYS 95 2HB LYS 95 4.735 -14.272 7.081 733 HB3 LYS 95 1HB LYS 95 5.269 -13.997 8.731 734 HG2 LYS 95 2HG LYS 95 2.442 -13.642 7.759 735 HG3 LYS 95 1HG LYS 95 3.057 -15.078 8.573 736 HD2 LYS 95 2HD LYS 95 3.026 -12.299 9.747 737 HD3 LYS 95 1HD LYS 95 1.834 -13.553 10.086 738 HE2 LYS 95 2HE LYS 95 3.636 -14.982 10.974 739 HE3 LYS 95 1HE LYS 95 4.787 -13.677 10.690 740 HZ1 LYS 95 3HZ LYS 95 2.452 -13.584 12.521 741 HZ2 LYS 95 1HZ LYS 95 3.496 -12.285 12.213 742 HZ3 LYS 95 2HZ LYS 95 4.078 -13.681 12.980 743 H ARG 96 HN ARG 96 7.305 -12.502 8.040 744 HA ARG 96 HA ARG 96 7.294 -11.443 10.704 745 HB2 ARG 96 2HB ARG 96 9.712 -11.867 10.716 746 HB3 ARG 96 1HB ARG 96 8.776 -13.274 10.251 747 HG2 ARG 96 2HG ARG 96 9.385 -12.967 7.940 748 HG3 ARG 96 1HG ARG 96 10.227 -11.463 8.336 749 HD2 ARG 96 2HD ARG 96 11.807 -12.653 9.711 750 HD3 ARG 96 1HD ARG 96 10.923 -14.159 9.496 751 HE ARG 96 HE ARG 96 11.545 -13.673 6.991 752 HH11 ARG 96 1HH1 ARG 96 13.524 -13.215 9.844 753 HH12 ARG 96 2HH1 ARG 96 15.014 -13.589 9.034 754 HH21 ARG 96 1HH2 ARG 96 13.480 -14.156 5.909 755 HH22 ARG 96 2HH2 ARG 96 14.995 -14.112 6.778 756 H LEU 97 HN LEU 97 7.737 -10.064 7.604 757 HA LEU 97 HA LEU 97 9.223 -7.787 8.550 758 HB2 LEU 97 2HB LEU 97 7.791 -8.335 5.954 759 HB3 LEU 97 1HB LEU 97 8.673 -6.860 6.281 760 HG LEU 97 HG LEU 97 9.843 -9.637 6.151 761 HD11 LEU 97 1HD1 LEU 97 9.255 -8.732 3.971 762 HD12 LEU 97 2HD1 LEU 97 11.006 -8.787 4.175 763 HD13 LEU 97 3HD1 LEU 97 10.150 -7.254 4.331 764 HD21 LEU 97 3HD2 LEU 97 11.201 -6.987 6.643 765 HD22 LEU 97 1HD2 LEU 97 12.010 -8.539 6.420 766 HD23 LEU 97 2HD2 LEU 97 10.982 -8.274 7.829 767 H ALA 98 HN ALA 98 6.215 -8.733 9.201 768 HA ALA 98 HA ALA 98 5.126 -6.002 9.194 769 HB1 ALA 98 1HB ALA 98 3.615 -8.601 9.406 770 HB2 ALA 98 2HB ALA 98 3.796 -7.647 7.934 771 HB3 ALA 98 3HB ALA 98 2.917 -6.983 9.311 772 H PHE 99 HN PHE 99 5.739 -5.140 11.080 773 HA PHE 99 HA PHE 99 5.592 -6.772 13.517 774 HB2 PHE 99 2HB PHE 99 6.903 -4.085 13.034 775 HB3 PHE 99 1HB PHE 99 6.929 -4.964 14.558 776 HD1 PHE 99 1HD PHE 99 8.172 -7.097 14.730 777 HD2 PHE 99 2HD PHE 99 8.373 -4.637 11.262 778 HE1 PHE 99 1HE PHE 99 10.210 -8.277 14.016 779 HE2 PHE 99 2HE PHE 99 10.411 -5.811 10.544 780 HZ PHE 99 HZ PHE 99 11.331 -7.634 11.920 781 H ASP 100 HN ASP 100 3.732 -4.646 11.814 782 HA ASP 100 HA ASP 100 2.260 -3.875 14.243 783 HB2 ASP 100 2HB ASP 100 3.489 -1.950 13.108 784 HB3 ASP 100 1HB ASP 100 2.368 -2.157 11.766 785 HA PRO 101 HA PRO 101 -0.448 -6.497 11.622 786 HB2 PRO 101 2HB PRO 101 -1.792 -6.859 14.229 787 HB3 PRO 101 1HB PRO 101 -1.199 -8.072 13.089 788 HG2 PRO 101 2HG PRO 101 0.066 -7.621 15.396 789 HG3 PRO 101 1HG PRO 101 0.964 -7.981 13.908 790 HD2 PRO 101 2HD PRO 101 0.489 -5.337 15.243 791 HD3 PRO 101 1HD PRO 101 1.975 -5.980 14.511 792 H SER 102 HN SER 102 -0.912 -3.618 13.284 793 HA SER 102 HA SER 102 -3.793 -3.534 12.839 794 HB2 SER 102 2HB SER 102 -2.934 -2.736 15.004 795 HB3 SER 102 1HB SER 102 -1.949 -1.532 14.175 796 HG SER 102 HG SER 102 -4.310 -1.095 13.258 797 H LEU 103 HN LEU 103 -1.036 -2.875 11.112 798 HA LEU 103 HA LEU 103 -2.044 -0.521 9.750 799 HB2 LEU 103 2HB LEU 103 0.418 -2.214 9.417 800 HB3 LEU 103 1HB LEU 103 -0.010 -0.975 8.253 801 HG LEU 103 HG LEU 103 0.523 -0.478 11.185 802 HD11 LEU 103 1HD1 LEU 103 2.236 0.088 8.766 803 HD12 LEU 103 2HD1 LEU 103 2.544 -1.151 9.983 804 HD13 LEU 103 3HD1 LEU 103 2.599 0.554 10.428 805 HD21 LEU 103 3HD2 LEU 103 0.540 1.888 10.504 806 HD22 LEU 103 1HD2 LEU 103 -1.033 1.132 10.252 807 HD23 LEU 103 2HD2 LEU 103 0.042 1.410 8.880 808 H SER 104 HN SER 104 -2.000 -0.574 7.292 809 HA SER 104 HA SER 104 -3.506 -2.913 6.372 810 HB2 SER 104 2HB SER 104 -3.167 -0.240 4.992 811 HB3 SER 104 1HB SER 104 -4.359 -1.487 4.626 812 HG SER 104 HG SER 104 -4.184 0.105 6.973 813 H TYR 105 HN TYR 105 -2.484 -4.386 5.162 814 HA TYR 105 HA TYR 105 -0.052 -3.560 3.723 815 HB2 TYR 105 2HB TYR 105 -0.770 -6.281 4.840 816 HB3 TYR 105 1HB TYR 105 0.681 -5.920 3.915 817 HD1 TYR 105 1HD TYR 105 -1.077 -5.237 7.099 818 HD2 TYR 105 2HD TYR 105 2.592 -4.973 4.964 819 HE1 TYR 105 1HE TYR 105 0.080 -4.618 9.174 820 HE2 TYR 105 2HE TYR 105 3.760 -4.351 7.038 821 HH TYR 105 HH TYR 105 2.102 -4.384 10.149 822 H LEU 106 HN LEU 106 -0.226 -3.558 1.584 823 HA LEU 106 HA LEU 106 -2.235 -5.314 0.350 824 HB2 LEU 106 2HB LEU 106 -1.146 -2.646 -0.441 825 HB3 LEU 106 1HB LEU 106 -1.748 -3.728 -1.681 826 HG LEU 106 HG LEU 106 -3.934 -3.800 -0.461 827 HD11 LEU 106 1HD1 LEU 106 -2.725 -1.550 1.136 828 HD12 LEU 106 2HD1 LEU 106 -3.146 -3.149 1.751 829 HD13 LEU 106 3HD1 LEU 106 -4.412 -2.064 1.176 830 HD21 LEU 106 3HD2 LEU 106 -2.960 -1.105 -1.395 831 HD22 LEU 106 1HD2 LEU 106 -4.650 -1.573 -1.205 832 HD23 LEU 106 2HD2 LEU 106 -3.640 -2.384 -2.401 833 H ILE 107 HN ILE 107 -1.692 -6.742 -1.182 834 HA ILE 107 HA ILE 107 1.186 -7.018 -1.773 835 HB ILE 107 HB ILE 107 -0.884 -9.226 -1.807 836 HG12 ILE 107 2HG1 ILE 107 -0.547 -8.399 0.490 837 HG13 ILE 107 1HG1 ILE 107 0.096 -10.024 0.286 838 HG21 ILE 107 1HG2 ILE 107 1.046 -10.720 -1.924 839 HG22 ILE 107 2HG2 ILE 107 2.130 -9.329 -1.941 840 HG23 ILE 107 3HG2 ILE 107 1.023 -9.601 -3.287 841 HD11 ILE 107 3HD1 ILE 107 1.567 -8.633 1.627 842 HD12 ILE 107 1HD1 ILE 107 1.707 -7.487 0.296 843 HD13 ILE 107 2HD1 ILE 107 2.346 -9.121 0.122 844 H ILE 108 HN ILE 108 1.717 -6.639 -3.818 845 HA ILE 108 HA ILE 108 -0.394 -6.738 -5.864 846 HB ILE 108 HB ILE 108 2.312 -5.407 -6.054 847 HG12 ILE 108 2HG1 ILE 108 0.931 -4.328 -4.320 848 HG13 ILE 108 1HG1 ILE 108 1.149 -3.277 -5.716 849 HG21 ILE 108 1HG2 ILE 108 1.332 -6.034 -8.207 850 HG22 ILE 108 2HG2 ILE 108 1.398 -4.284 -8.011 851 HG23 ILE 108 3HG2 ILE 108 -0.131 -5.135 -7.802 852 HD11 ILE 108 3HD1 ILE 108 -1.084 -3.864 -6.498 853 HD12 ILE 108 1HD1 ILE 108 -1.121 -3.173 -4.877 854 HD13 ILE 108 2HD1 ILE 108 -1.297 -4.915 -5.098 855 H SER 109 HN SER 109 -0.291 -8.199 -7.469 856 HA SER 109 HA SER 109 2.112 -9.896 -7.608 857 HB2 SER 109 2HB SER 109 0.089 -11.093 -6.907 858 HB3 SER 109 1HB SER 109 -0.752 -10.534 -8.351 859 HG SER 109 HG SER 109 0.124 -12.697 -8.483 860 H LEU 110 HN LEU 110 3.340 -9.613 -9.338 861 HA LEU 110 HA LEU 110 2.126 -8.607 -11.814 862 HB2 LEU 110 2HB LEU 110 4.864 -8.512 -10.657 863 HB3 LEU 110 1HB LEU 110 4.732 -8.592 -12.403 864 HG LEU 110 HG LEU 110 4.960 -6.290 -11.652 865 HD11 LEU 110 1HD1 LEU 110 3.673 -6.716 -13.665 866 HD12 LEU 110 2HD1 LEU 110 3.019 -5.335 -12.786 867 HD13 LEU 110 3HD1 LEU 110 2.204 -6.897 -12.705 868 HD21 LEU 110 3HD2 LEU 110 3.987 -6.492 -9.435 869 HD22 LEU 110 1HD2 LEU 110 2.396 -6.770 -10.143 870 HD23 LEU 110 2HD2 LEU 110 3.193 -5.210 -10.348 871 H ALA 111 HN ALA 111 2.358 -11.446 -10.519 872 HA ALA 111 HA ALA 111 3.857 -13.048 -12.287 873 HB1 ALA 111 1HB ALA 111 3.088 -13.831 -10.092 874 HB2 ALA 111 2HB ALA 111 2.592 -14.925 -11.384 875 HB3 ALA 111 3HB ALA 111 1.422 -13.813 -10.673 876 H GLU 112 HN GLU 112 0.554 -11.863 -12.361 877 HA GLU 112 HA GLU 112 0.311 -12.826 -15.131 878 HB2 GLU 112 2HB GLU 112 -1.107 -14.144 -13.564 879 HB3 GLU 112 1HB GLU 112 -1.919 -12.662 -13.088 880 HG2 GLU 112 2HG GLU 112 -2.840 -12.391 -15.278 881 HG3 GLU 112 1HG GLU 112 -1.900 -13.752 -15.891 882 HA PRO 113 HA PRO 113 0.092 -8.278 -14.895 883 HB2 PRO 113 2HB PRO 113 1.366 -7.745 -17.206 884 HB3 PRO 113 1HB PRO 113 2.225 -8.197 -15.729 885 HG2 PRO 113 2HG PRO 113 1.489 -9.887 -18.085 886 HG3 PRO 113 1HG PRO 113 3.012 -9.835 -17.179 887 HD2 PRO 113 2HD PRO 113 1.109 -11.747 -16.790 888 HD3 PRO 113 1HD PRO 113 2.210 -11.197 -15.511 889 H GLN 114 HN GLN 114 -1.244 -10.390 -17.260 890 HA GLN 114 HA GLN 114 -2.448 -8.415 -18.905 891 HB2 GLN 114 2HB GLN 114 -3.910 -10.185 -19.716 892 HB3 GLN 114 1HB GLN 114 -2.249 -10.745 -19.642 893 HG2 GLN 114 2HG GLN 114 -2.729 -11.941 -17.581 894 HG3 GLN 114 1HG GLN 114 -4.390 -11.350 -17.614 895 HE21 GLN 114 1HE2 GLN 114 -2.072 -13.472 -19.104 896 HE22 GLN 114 2HE2 GLN 114 -3.215 -14.426 -19.997 897 H LYS 115 HN LYS 115 -3.342 -9.963 -15.925 898 HA LYS 115 HA LYS 115 -5.306 -7.863 -15.458 899 HB2 LYS 115 2HB LYS 115 -5.837 -10.827 -15.219 900 HB3 LYS 115 1HB LYS 115 -6.764 -9.641 -14.319 901 HG2 LYS 115 2HG LYS 115 -6.542 -9.731 -17.319 902 HG3 LYS 115 1HG LYS 115 -7.882 -10.395 -16.382 903 HD2 LYS 115 2HD LYS 115 -8.329 -8.141 -15.474 904 HD3 LYS 115 1HD LYS 115 -7.027 -7.500 -16.475 905 HE2 LYS 115 2HE LYS 115 -9.195 -7.102 -17.512 906 HE3 LYS 115 1HE LYS 115 -8.226 -8.206 -18.486 907 HZ1 LYS 115 3HZ LYS 115 -9.539 -10.007 -17.897 908 HZ2 LYS 115 1HZ LYS 115 -10.676 -8.768 -18.090 909 HZ3 LYS 115 2HZ LYS 115 -10.189 -9.240 -16.534 910 HA PRO 116 HA PRO 116 -2.032 -8.414 -12.258 911 HB2 PRO 116 2HB PRO 116 -2.256 -5.809 -11.369 912 HB3 PRO 116 1HB PRO 116 -1.170 -6.341 -12.657 913 HG2 PRO 116 2HG PRO 116 -3.862 -5.058 -12.854 914 HG3 PRO 116 1HG PRO 116 -2.413 -4.782 -13.838 915 HD2 PRO 116 2HD PRO 116 -4.461 -6.266 -14.733 916 HD3 PRO 116 1HD PRO 116 -2.777 -6.676 -15.126 917 H VAL 117 HN VAL 117 -2.456 -9.210 -10.296 918 HA VAL 117 HA VAL 117 -5.089 -8.703 -9.140 919 HB VAL 117 HB VAL 117 -2.955 -10.665 -8.269 920 HG11 VAL 117 1HG1 VAL 117 -4.746 -11.709 -6.961 921 HG12 VAL 117 2HG1 VAL 117 -5.849 -10.424 -7.453 922 HG13 VAL 117 3HG1 VAL 117 -4.450 -10.046 -6.450 923 HG21 VAL 117 3HG2 VAL 117 -5.439 -11.087 -9.921 924 HG22 VAL 117 1HG2 VAL 117 -4.407 -12.370 -9.288 925 HG23 VAL 117 2HG2 VAL 117 -3.769 -11.227 -10.471 926 H CYS 118 HN CYS 118 -5.318 -7.169 -7.710 927 HA CYS 118 HA CYS 118 -3.137 -6.635 -5.809 928 HB2 CYS 118 2HB CYS 118 -4.191 -4.382 -5.527 929 HB3 CYS 118 1HB CYS 118 -3.539 -4.663 -7.137 930 HG CYS 118 HG CYS 118 -6.817 -5.344 -6.686 931 H LYS 119 HN LYS 119 -3.569 -7.378 -3.806 932 HA LYS 119 HA LYS 119 -6.325 -7.137 -2.834 933 HB2 LYS 119 2HB LYS 119 -4.640 -9.618 -2.472 934 HB3 LYS 119 1HB LYS 119 -6.196 -9.328 -1.715 935 HG2 LYS 119 2HG LYS 119 -7.146 -9.136 -4.056 936 HG3 LYS 119 1HG LYS 119 -5.606 -9.786 -4.623 937 HD2 LYS 119 2HD LYS 119 -7.443 -11.130 -2.642 938 HD3 LYS 119 1HD LYS 119 -7.333 -11.526 -4.357 939 HE2 LYS 119 2HE LYS 119 -5.054 -12.243 -4.101 940 HE3 LYS 119 1HE LYS 119 -5.019 -11.686 -2.429 941 HZ1 LYS 119 3HZ LYS 119 -6.735 -13.335 -1.906 942 HZ2 LYS 119 1HZ LYS 119 -5.332 -14.069 -2.514 943 HZ3 LYS 119 2HZ LYS 119 -6.694 -13.894 -3.504 944 H SER 120 HN SER 120 -6.452 -7.293 -0.464 945 HA SER 120 HA SER 120 -3.999 -6.231 0.761 946 HB2 SER 120 2HB SER 120 -5.848 -4.567 0.578 947 HB3 SER 120 1HB SER 120 -6.864 -5.629 1.552 948 HG SER 120 HG SER 120 -4.356 -4.908 2.562 949 H PHE 121 HN PHE 121 -3.291 -7.163 2.600 950 HA PHE 121 HA PHE 121 -4.977 -9.249 3.798 951 HB2 PHE 121 2HB PHE 121 -2.040 -9.463 3.117 952 HB3 PHE 121 1HB PHE 121 -2.903 -10.607 4.139 953 HD1 PHE 121 1HD PHE 121 -4.656 -12.042 3.180 954 HD2 PHE 121 2HD PHE 121 -2.244 -9.510 0.756 955 HE1 PHE 121 1HE PHE 121 -5.316 -13.325 1.192 956 HE2 PHE 121 2HE PHE 121 -2.902 -10.789 -1.237 957 HZ PHE 121 HZ PHE 121 -4.442 -12.701 -1.019 958 H LEU 122 HN LEU 122 -5.133 -9.141 5.913 959 HA LEU 122 HA LEU 122 -3.525 -7.204 7.370 960 HB2 LEU 122 2HB LEU 122 -5.796 -8.983 8.282 961 HB3 LEU 122 1HB LEU 122 -5.040 -7.724 9.243 962 HG LEU 122 HG LEU 122 -6.568 -7.251 6.682 963 HD11 LEU 122 1HD1 LEU 122 -7.383 -6.819 9.552 964 HD12 LEU 122 2HD1 LEU 122 -8.045 -8.026 8.449 965 HD13 LEU 122 3HD1 LEU 122 -8.299 -6.309 8.134 966 HD21 LEU 122 3HD2 LEU 122 -4.855 -5.577 7.077 967 HD22 LEU 122 1HD2 LEU 122 -5.436 -5.343 8.726 968 HD23 LEU 122 2HD2 LEU 122 -6.456 -4.893 7.360 969 H ILE 123 HN ILE 123 -1.576 -7.927 7.911 970 HA ILE 123 HA ILE 123 -1.146 -10.732 8.484 971 HB ILE 123 HB ILE 123 0.831 -8.442 8.535 972 HG12 ILE 123 2HG1 ILE 123 0.267 -10.473 6.352 973 HG13 ILE 123 1HG1 ILE 123 -0.200 -8.776 6.302 974 HG21 ILE 123 1HG2 ILE 123 1.229 -11.431 8.511 975 HG22 ILE 123 2HG2 ILE 123 1.581 -10.333 9.846 976 HG23 ILE 123 3HG2 ILE 123 2.516 -10.237 8.353 977 HD11 ILE 123 3HD1 ILE 123 2.137 -8.120 6.313 978 HD12 ILE 123 1HD1 ILE 123 1.795 -9.218 4.975 979 HD13 ILE 123 2HD1 ILE 123 2.623 -9.812 6.415 980 H LYS 124 HN LYS 124 -1.665 -11.427 10.441 981 HA LYS 124 HA LYS 124 -1.417 -9.585 12.711 982 HB2 LYS 124 2HB LYS 124 -2.960 -12.183 12.555 983 HB3 LYS 124 1HB LYS 124 -3.027 -11.000 13.852 984 HG2 LYS 124 2HG LYS 124 -3.947 -10.533 11.022 985 HG3 LYS 124 1HG LYS 124 -4.993 -10.898 12.396 986 HD2 LYS 124 2HD LYS 124 -4.273 -8.846 13.500 987 HD3 LYS 124 1HD LYS 124 -3.193 -8.488 12.152 988 HE2 LYS 124 2HE LYS 124 -5.119 -8.364 10.645 989 HE3 LYS 124 1HE LYS 124 -6.195 -8.724 11.995 990 HZ1 LYS 124 3HZ LYS 124 -4.411 -6.353 11.851 991 HZ2 LYS 124 1HZ LYS 124 -5.557 -6.685 13.056 992 HZ3 LYS 124 2HZ LYS 124 -6.064 -6.334 11.476 993 H LYS 125 HN LYS 125 -1.243 -11.164 14.821 994 HA LYS 125 HA LYS 125 1.431 -12.107 14.802 995 HB2 LYS 125 2HB LYS 125 0.175 -11.207 16.795 996 HB3 LYS 125 1HB LYS 125 -0.722 -12.713 16.833 997 HG2 LYS 125 2HG LYS 125 1.453 -13.912 17.092 998 HG3 LYS 125 1HG LYS 125 2.227 -12.337 17.278 999 HD2 LYS 125 2HD LYS 125 0.703 -11.878 19.183 1000 HD3 LYS 125 1HD LYS 125 0.076 -13.520 19.033 1001 HE2 LYS 125 2HE LYS 125 1.727 -13.491 20.771 1002 HE3 LYS 125 1HE LYS 125 2.385 -14.372 19.393 1003 HZ1 LYS 125 3HZ LYS 125 3.619 -12.393 18.759 1004 HZ2 LYS 125 1HZ LYS 125 4.004 -12.844 20.347 1005 HZ3 LYS 125 2HZ LYS 125 2.962 -11.537 20.069 1006 H ASP 126 HN ASP 126 -1.674 -13.713 15.134 1007 HA ASP 126 HA ASP 126 -0.618 -16.351 15.141 1008 HB2 ASP 126 2HB ASP 126 -3.456 -15.460 14.608 1009 HB3 ASP 126 1HB ASP 126 -2.940 -17.075 15.083 1010 H GLY 127 HN GLY 127 -2.461 -14.533 12.683 1011 HA2 GLY 127 2HA GLY 127 -1.169 -16.051 10.578 1012 HA3 GLY 127 1HA GLY 127 -2.885 -16.373 10.770 1013 H VAL 128 HN VAL 128 -3.205 -15.574 8.634 1014 HA VAL 128 HA VAL 128 -2.990 -12.636 8.426 1015 HB VAL 128 HB VAL 128 -2.820 -14.644 6.169 1016 HG11 VAL 128 1HG1 VAL 128 -2.202 -12.694 4.791 1017 HG12 VAL 128 2HG1 VAL 128 -2.536 -11.642 6.167 1018 HG13 VAL 128 3HG1 VAL 128 -3.839 -12.576 5.436 1019 HG21 VAL 128 3HG2 VAL 128 -0.475 -13.928 5.974 1020 HG22 VAL 128 1HG2 VAL 128 -0.807 -14.695 7.528 1021 HG23 VAL 128 2HG2 VAL 128 -0.668 -12.939 7.421 1022 H ASP 129 HN ASP 129 -4.800 -11.539 7.882 1023 HA ASP 129 HA ASP 129 -7.205 -13.130 7.240 1024 HB2 ASP 129 2HB ASP 129 -7.017 -11.639 9.403 1025 HB3 ASP 129 1HB ASP 129 -7.352 -10.323 8.283 1026 H GLU 130 HN GLU 130 -8.360 -12.590 5.408 1027 HA GLU 130 HA GLU 130 -6.908 -10.839 3.595 1028 HB2 GLU 130 2HB GLU 130 -8.261 -12.011 1.846 1029 HB3 GLU 130 1HB GLU 130 -7.156 -13.029 2.746 1030 HG2 GLU 130 2HG GLU 130 -9.178 -13.619 4.194 1031 HG3 GLU 130 1HG GLU 130 -10.144 -12.891 2.910 1032 H GLU 131 HN GLU 131 -7.647 -9.021 2.829 1033 HA GLU 131 HA GLU 131 -10.297 -8.101 3.687 1034 HB2 GLU 131 2HB GLU 131 -8.444 -6.741 4.449 1035 HB3 GLU 131 1HB GLU 131 -7.800 -6.633 2.820 1036 HG2 GLU 131 2HG GLU 131 -8.818 -4.558 3.343 1037 HG3 GLU 131 1HG GLU 131 -9.840 -5.376 2.163 1038 H GLU 132 HN GLU 132 -11.667 -6.987 2.220 1039 HA GLU 132 HA GLU 132 -11.268 -7.764 -0.580 1040 HB2 GLU 132 2HB GLU 132 -13.362 -8.427 0.661 1041 HB3 GLU 132 1HB GLU 132 -13.777 -6.720 0.743 1042 HG2 GLU 132 2HG GLU 132 -14.930 -7.866 -1.060 1043 HG3 GLU 132 1HG GLU 132 -13.874 -6.593 -1.667 1044 H ILE 133 HN ILE 133 -11.285 -6.239 -2.223 1045 HA ILE 133 HA ILE 133 -10.832 -3.491 -1.277 1046 HB ILE 133 HB ILE 133 -9.818 -4.815 -3.795 1047 HG12 ILE 133 2HG1 ILE 133 -8.407 -3.965 -1.251 1048 HG13 ILE 133 1HG1 ILE 133 -8.663 -5.616 -1.803 1049 HG21 ILE 133 1HG2 ILE 133 -8.500 -2.751 -4.102 1050 HG22 ILE 133 2HG2 ILE 133 -9.351 -2.029 -2.735 1051 HG23 ILE 133 3HG2 ILE 133 -10.237 -2.466 -4.196 1052 HD11 ILE 133 3HD1 ILE 133 -6.385 -4.900 -2.199 1053 HD12 ILE 133 1HD1 ILE 133 -6.963 -3.541 -3.163 1054 HD13 ILE 133 2HD1 ILE 133 -7.219 -5.194 -3.724 1055 H ILE 134 HN ILE 134 -12.145 -1.939 -1.823 1056 HA ILE 134 HA ILE 134 -14.109 -2.374 -3.962 1057 HB ILE 134 HB ILE 134 -14.040 -0.083 -1.993 1058 HG12 ILE 134 2HG1 ILE 134 -14.153 -2.199 -0.744 1059 HG13 ILE 134 1HG1 ILE 134 -15.664 -1.303 -0.634 1060 HG21 ILE 134 1HG2 ILE 134 -16.235 -1.237 -3.704 1061 HG22 ILE 134 2HG2 ILE 134 -15.412 0.303 -3.946 1062 HG23 ILE 134 3HG2 ILE 134 -16.442 0.066 -2.533 1063 HD11 ILE 134 3HD1 ILE 134 -16.077 -3.667 -0.908 1064 HD12 ILE 134 1HD1 ILE 134 -15.134 -3.686 -2.401 1065 HD13 ILE 134 2HD1 ILE 134 -16.643 -2.777 -2.321 1066 H LEU 135 HN LEU 135 -14.165 -1.060 -5.770 1067 HA LEU 135 HA LEU 135 -11.906 0.794 -6.042 1068 HB2 LEU 135 2HB LEU 135 -13.452 -0.782 -8.084 1069 HB3 LEU 135 1HB LEU 135 -12.408 0.553 -8.531 1070 HG LEU 135 HG LEU 135 -11.567 -2.012 -7.180 1071 HD11 LEU 135 1HD1 LEU 135 -10.305 -2.379 -9.226 1072 HD12 LEU 135 2HD1 LEU 135 -10.925 -0.869 -9.894 1073 HD13 LEU 135 3HD1 LEU 135 -12.026 -2.212 -9.576 1074 HD21 LEU 135 3HD2 LEU 135 -10.284 -0.134 -6.308 1075 HD22 LEU 135 1HD2 LEU 135 -9.927 0.397 -7.953 1076 HD23 LEU 135 2HD2 LEU 135 -9.289 -1.138 -7.362 1077 H LYS 136 HN LYS 136 -12.188 2.872 -6.518 1078 HA LYS 136 HA LYS 136 -14.886 3.772 -7.286 1079 HB2 LYS 136 2HB LYS 136 -12.907 4.995 -5.400 1080 HB3 LYS 136 1HB LYS 136 -14.002 6.035 -6.295 1081 HG2 LYS 136 2HG LYS 136 -15.874 4.558 -5.376 1082 HG3 LYS 136 1HG LYS 136 -14.660 3.941 -4.254 1083 HD2 LYS 136 2HD LYS 136 -14.290 6.134 -3.349 1084 HD3 LYS 136 1HD LYS 136 -15.315 6.868 -4.586 1085 HE2 LYS 136 2HE LYS 136 -17.207 5.467 -3.666 1086 HE3 LYS 136 1HE LYS 136 -16.145 5.073 -2.314 1087 HZ1 LYS 136 3HZ LYS 136 -17.651 6.942 -1.851 1088 HZ2 LYS 136 1HZ LYS 136 -16.926 7.834 -3.095 1089 HZ3 LYS 136 2HZ LYS 136 -16.024 7.391 -1.724 1090 H GLU 137 HN GLU 137 -15.037 5.367 -8.877 1091 HA GLU 137 HA GLU 137 -12.960 5.350 -10.812 1092 HB2 GLU 137 2HB GLU 137 -15.482 6.985 -10.608 1093 HB3 GLU 137 1HB GLU 137 -14.437 6.943 -12.009 1094 HG2 GLU 137 2HG GLU 137 -15.898 5.383 -12.703 1095 HG3 GLU 137 1HG GLU 137 -14.895 4.319 -11.721 1096 H GLU 138 HN GLU 138 -13.853 7.449 -8.278 1097 HA GLU 138 HA GLU 138 -11.616 9.229 -8.874 1098 HB2 GLU 138 2HB GLU 138 -13.843 10.093 -9.831 1099 HB3 GLU 138 1HB GLU 138 -14.317 10.361 -8.163 1100 HG2 GLU 138 2HG GLU 138 -12.622 11.973 -7.841 1101 HG3 GLU 138 1HG GLU 138 -11.833 11.546 -9.360 1102 H LEU 139 HN LEU 139 -11.268 10.791 -6.959 1103 HA LEU 139 HA LEU 139 -10.994 9.127 -4.649 1104 HB2 LEU 139 2HB LEU 139 -10.312 12.031 -5.084 1105 HB3 LEU 139 1HB LEU 139 -9.896 11.121 -3.647 1106 HG LEU 139 HG LEU 139 -8.896 10.537 -6.438 1107 HD11 LEU 139 1HD1 LEU 139 -6.746 11.307 -5.598 1108 HD12 LEU 139 2HD1 LEU 139 -7.480 11.693 -4.041 1109 HD13 LEU 139 3HD1 LEU 139 -7.956 12.584 -5.487 1110 HD21 LEU 139 3HD2 LEU 139 -9.093 8.509 -5.104 1111 HD22 LEU 139 1HD2 LEU 139 -8.199 9.274 -3.789 1112 HD23 LEU 139 2HD2 LEU 139 -7.400 8.949 -5.328 1113 H GLU 140 HN GLU 140 -11.283 10.657 -2.457 1114 HA GLU 140 HA GLU 140 -14.201 10.774 -2.301 1115 HB2 GLU 140 2HB GLU 140 -12.780 9.226 -0.831 1116 HB3 GLU 140 1HB GLU 140 -12.281 10.678 0.021 1117 HG2 GLU 140 2HG GLU 140 -14.062 9.598 1.220 1118 HG3 GLU 140 1HG GLU 140 -14.633 11.136 0.575 1119 H HIS 141 HN HIS 141 -11.694 12.823 -2.653 1120 HA HIS 141 HA HIS 141 -13.092 14.999 -1.242 1121 HB2 HIS 141 2HB HIS 141 -10.163 14.575 -1.776 1122 HB3 HIS 141 1HB HIS 141 -10.802 16.190 -1.482 1123 HD1 HIS 141 1HD HIS 141 -10.185 12.893 0.232 1124 HD2 HIS 141 2HD HIS 141 -11.535 16.726 1.151 1125 HE1 HIS 141 1HE HIS 141 -10.248 13.018 2.746 1126 HE2 HIS 141 2HE HIS 141 -10.876 15.401 3.274 1127 H HIS 142 HN HIS 142 -12.735 17.192 -2.340 1128 HA HIS 142 HA HIS 142 -13.637 16.768 -5.067 1129 HB2 HIS 142 2HB HIS 142 -13.736 19.117 -3.209 1130 HB3 HIS 142 1HB HIS 142 -14.072 19.306 -4.925 1131 HD1 HIS 142 1HD HIS 142 -16.200 18.070 -5.858 1132 HD2 HIS 142 2HD HIS 142 -15.772 17.996 -1.714 1133 HE1 HIS 142 1HE HIS 142 -18.447 17.399 -4.949 1134 HE2 HIS 142 2HE HIS 142 -18.193 17.418 -2.442 1135 H HIS 143 HN HIS 143 -11.768 16.301 -6.197 1136 HA HIS 143 HA HIS 143 -9.969 18.575 -6.648 1137 HB2 HIS 143 2HB HIS 143 -9.939 15.734 -7.704 1138 HB3 HIS 143 1HB HIS 143 -8.844 16.986 -8.277 1139 HD1 HIS 143 1HD HIS 143 -9.253 14.474 -5.661 1140 HD2 HIS 143 2HD HIS 143 -7.038 17.953 -6.209 1141 HE1 HIS 143 1HE HIS 143 -7.437 14.413 -3.913 1142 HE2 HIS 143 2HE HIS 143 -6.200 16.599 -4.168 1143 H HIS 144 HN HIS 144 -9.658 19.200 -8.999 1144 HA HIS 144 HA HIS 144 -10.546 20.099 -10.893 1145 HB2 HIS 144 2HB HIS 144 -12.098 17.549 -10.670 1146 HB3 HIS 144 1HB HIS 144 -12.624 18.758 -11.833 1147 HD1 HIS 144 1HD HIS 144 -10.719 19.491 -13.610 1148 HD2 HIS 144 2HD HIS 144 -10.119 15.916 -11.575 1149 HE1 HIS 144 1HE HIS 144 -9.057 18.199 -14.984 1150 HE2 HIS 144 2HE HIS 144 -8.856 15.967 -13.837 1151 H HIS 145 HN HIS 145 -11.409 21.127 -8.396 1152 HA HIS 145 HA HIS 145 -14.248 21.539 -8.560 1153 HB2 HIS 145 2HB HIS 145 -13.761 23.346 -6.775 1154 HB3 HIS 145 1HB HIS 145 -13.551 21.658 -6.348 1155 HD1 HIS 145 1HD HIS 145 -11.409 21.092 -5.250 1156 HD2 HIS 145 2HD HIS 145 -11.163 24.660 -7.378 1157 HE1 HIS 145 1HE HIS 145 -9.142 22.040 -4.728 1158 HE2 HIS 145 2HE HIS 145 -9.063 24.256 -5.916 1159 H HIS 146 HN HIS 146 -14.377 22.218 -10.676 1160 HA HIS 146 HA HIS 146 -14.323 25.038 -11.096 1161 HB2 HIS 146 2HB HIS 146 -11.964 24.616 -11.531 1162 HB3 HIS 146 1HB HIS 146 -12.364 23.282 -12.605 1163 HD1 HIS 146 1HD HIS 146 -12.353 23.850 -15.008 1164 HD2 HIS 146 2HD HIS 146 -13.035 27.193 -12.630 1165 HE1 HIS 146 1HE HIS 146 -12.421 25.803 -16.588 1166 HE2 HIS 146 2HE HIS 146 -13.017 27.784 -15.151 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -14.644 -2.430 4.204 2 H2 MET 1 H2 MET 1 -13.574 -3.388 5.103 3 H3 MET 1 H3 MET 1 -14.820 -4.112 4.209 4 HA MET 1 HA MET 1 -12.646 -4.332 3.132 5 HB2 MET 1 2HB MET 1 -13.410 -3.817 0.944 6 HB3 MET 1 1HB MET 1 -14.847 -4.217 1.871 7 HG2 MET 1 2HG MET 1 -13.901 -1.427 1.254 8 HG3 MET 1 1HG MET 1 -15.158 -2.294 0.376 9 HE1 MET 1 2HE MET 1 -15.432 0.629 1.723 10 HE2 MET 1 3HE MET 1 -17.053 0.519 2.404 11 HE3 MET 1 1HE MET 1 -16.728 -0.128 0.796 12 H ILE 2 HN ILE 2 -11.183 -3.136 1.587 13 HA ILE 2 HA ILE 2 -10.694 -0.388 2.520 14 HB ILE 2 HB ILE 2 -8.806 -1.797 3.051 15 HG12 ILE 2 2HG1 ILE 2 -8.192 -0.082 0.639 16 HG13 ILE 2 1HG1 ILE 2 -8.328 0.491 2.295 17 HG21 ILE 2 1HG2 ILE 2 -7.521 -2.971 1.307 18 HG22 ILE 2 2HG2 ILE 2 -8.783 -2.567 0.143 19 HG23 ILE 2 3HG2 ILE 2 -9.152 -3.611 1.514 20 HD11 ILE 2 3HD1 ILE 2 -6.010 0.273 1.626 21 HD12 ILE 2 1HD1 ILE 2 -6.265 -1.435 1.266 22 HD13 ILE 2 2HD1 ILE 2 -6.399 -0.854 2.926 23 H THR 3 HN THR 3 -10.682 1.232 1.041 24 HA THR 3 HA THR 3 -11.301 0.437 -1.731 25 HB THR 3 HB THR 3 -12.434 2.815 -0.241 26 HG1 THR 3 1HG THR 3 -14.413 1.352 -0.680 27 HG21 THR 3 3HG2 THR 3 -13.946 3.006 -2.157 28 HG22 THR 3 1HG2 THR 3 -13.145 1.642 -2.937 29 HG23 THR 3 2HG2 THR 3 -12.265 3.146 -2.670 30 H LEU 4 HN LEU 4 -10.176 1.361 -3.309 31 HA LEU 4 HA LEU 4 -8.925 3.952 -2.884 32 HB2 LEU 4 2HB LEU 4 -6.814 3.127 -3.998 33 HB3 LEU 4 1HB LEU 4 -7.062 2.625 -2.342 34 HG LEU 4 HG LEU 4 -8.019 0.446 -3.407 35 HD11 LEU 4 1HD1 LEU 4 -8.067 1.235 -5.705 36 HD12 LEU 4 2HD1 LEU 4 -6.975 -0.139 -5.535 37 HD13 LEU 4 3HD1 LEU 4 -6.325 1.495 -5.668 38 HD21 LEU 4 3HD2 LEU 4 -6.005 0.553 -2.057 39 HD22 LEU 4 1HD2 LEU 4 -5.076 1.096 -3.455 40 HD23 LEU 4 2HD2 LEU 4 -5.777 -0.524 -3.434 41 H THR 5 HN THR 5 -8.073 4.799 -5.041 42 HA THR 5 HA THR 5 -10.270 4.319 -6.895 43 HB THR 5 HB THR 5 -9.635 6.371 -8.006 44 HG1 THR 5 1HG THR 5 -7.835 7.588 -7.083 45 HG21 THR 5 3HG2 THR 5 -9.966 7.953 -6.171 46 HG22 THR 5 1HG2 THR 5 -9.555 6.693 -5.005 47 HG23 THR 5 2HG2 THR 5 -11.010 6.542 -5.989 48 H LYS 6 HN LYS 6 -9.865 4.251 -9.213 49 HA LYS 6 HA LYS 6 -8.107 2.270 -10.050 50 HB2 LYS 6 2HB LYS 6 -8.604 3.080 -12.325 51 HB3 LYS 6 1HB LYS 6 -10.039 2.955 -11.333 52 HG2 LYS 6 2HG LYS 6 -9.910 5.405 -10.935 53 HG3 LYS 6 1HG LYS 6 -8.588 5.463 -12.103 54 HD2 LYS 6 2HD LYS 6 -11.392 4.495 -12.661 55 HD3 LYS 6 1HD LYS 6 -10.725 6.059 -13.134 56 HE2 LYS 6 2HE LYS 6 -9.097 4.977 -14.556 57 HE3 LYS 6 1HE LYS 6 -9.633 3.388 -14.012 58 HZ1 LYS 6 3HZ LYS 6 -11.769 3.772 -15.025 59 HZ2 LYS 6 1HZ LYS 6 -10.549 4.002 -16.183 60 HZ3 LYS 6 2HZ LYS 6 -11.316 5.341 -15.483 61 H LYS 7 HN LYS 7 -7.803 5.733 -10.092 62 HA LYS 7 HA LYS 7 -5.312 6.062 -11.265 63 HB2 LYS 7 2HB LYS 7 -7.142 7.731 -10.290 64 HB3 LYS 7 1HB LYS 7 -6.053 7.745 -8.914 65 HG2 LYS 7 2HG LYS 7 -5.154 8.348 -11.715 66 HG3 LYS 7 1HG LYS 7 -5.753 9.574 -10.600 67 HD2 LYS 7 2HD LYS 7 -3.980 8.884 -8.992 68 HD3 LYS 7 1HD LYS 7 -3.341 7.804 -10.237 69 HE2 LYS 7 2HE LYS 7 -2.938 9.694 -11.707 70 HE3 LYS 7 1HE LYS 7 -3.664 10.791 -10.533 71 HZ1 LYS 7 3HZ LYS 7 -1.338 10.964 -10.290 72 HZ2 LYS 7 1HZ LYS 7 -1.124 9.284 -10.273 73 HZ3 LYS 7 2HZ LYS 7 -1.874 10.055 -8.965 74 H GLN 8 HN GLN 8 -6.078 5.428 -7.820 75 HA GLN 8 HA GLN 8 -3.386 5.458 -6.931 76 HB2 GLN 8 2HB GLN 8 -5.697 3.899 -5.754 77 HB3 GLN 8 1HB GLN 8 -4.212 4.347 -4.932 78 HG2 GLN 8 2HG GLN 8 -6.404 6.174 -5.860 79 HG3 GLN 8 1HG GLN 8 -5.963 5.784 -4.205 80 HE21 GLN 8 1HE2 GLN 8 -6.171 8.369 -5.399 81 HE22 GLN 8 2HE2 GLN 8 -4.621 9.112 -5.266 82 H MET 9 HN MET 9 -5.451 2.909 -8.238 83 HA MET 9 HA MET 9 -3.677 0.751 -7.878 84 HB2 MET 9 2HB MET 9 -6.009 0.418 -8.544 85 HB3 MET 9 1HB MET 9 -5.712 1.237 -10.071 86 HG2 MET 9 2HG MET 9 -5.781 -1.140 -10.415 87 HG3 MET 9 1HG MET 9 -4.148 -0.544 -10.709 88 HE1 MET 9 3HE MET 9 -5.979 -1.211 -7.282 89 HE2 MET 9 1HE MET 9 -5.431 -2.844 -6.913 90 HE3 MET 9 2HE MET 9 -6.499 -2.561 -8.289 91 H GLU 10 HN GLU 10 -4.075 3.063 -10.529 92 HA GLU 10 HA GLU 10 -2.034 2.173 -12.198 93 HB2 GLU 10 2HB GLU 10 -3.361 4.823 -11.706 94 HB3 GLU 10 1HB GLU 10 -2.067 4.673 -12.866 95 HG2 GLU 10 2HG GLU 10 -4.598 3.067 -12.940 96 HG3 GLU 10 1HG GLU 10 -4.322 4.546 -13.859 97 H GLU 11 HN GLU 11 -1.977 4.274 -9.365 98 HA GLU 11 HA GLU 11 0.679 5.159 -9.552 99 HB2 GLU 11 2HB GLU 11 -1.180 4.749 -7.212 100 HB3 GLU 11 1HB GLU 11 0.381 5.515 -7.072 101 HG2 GLU 11 2HG GLU 11 -1.846 6.492 -8.828 102 HG3 GLU 11 1HG GLU 11 -1.477 7.114 -7.222 103 H MET 12 HN MET 12 -0.759 2.414 -7.821 104 HA MET 12 HA MET 12 1.692 1.409 -6.823 105 HB2 MET 12 2HB MET 12 -0.963 0.046 -7.304 106 HB3 MET 12 1HB MET 12 0.395 -0.721 -6.494 107 HG2 MET 12 2HG MET 12 0.334 1.053 -4.782 108 HG3 MET 12 1HG MET 12 -1.089 1.727 -5.575 109 HE1 MET 12 3HE MET 12 -3.406 0.387 -5.814 110 HE2 MET 12 1HE MET 12 -3.660 -1.230 -5.154 111 HE3 MET 12 2HE MET 12 -2.543 -0.991 -6.499 112 H LEU 13 HN LEU 13 -0.225 0.648 -9.691 113 HA LEU 13 HA LEU 13 1.342 -1.467 -10.653 114 HB2 LEU 13 2HB LEU 13 -0.470 0.506 -12.020 115 HB3 LEU 13 1HB LEU 13 0.331 -0.777 -12.900 116 HG LEU 13 HG LEU 13 -1.625 -1.157 -10.632 117 HD11 LEU 13 1HD1 LEU 13 -2.709 -0.380 -12.660 118 HD12 LEU 13 2HD1 LEU 13 -3.087 -2.078 -12.372 119 HD13 LEU 13 3HD1 LEU 13 -1.897 -1.635 -13.595 120 HD21 LEU 13 3HD2 LEU 13 -0.244 -3.181 -12.388 121 HD22 LEU 13 1HD2 LEU 13 -1.497 -3.531 -11.197 122 HD23 LEU 13 2HD2 LEU 13 0.068 -2.909 -10.673 123 H ALA 14 HN ALA 14 1.571 2.022 -11.226 124 HA ALA 14 HA ALA 14 3.629 1.940 -13.139 125 HB1 ALA 14 1HB ALA 14 2.286 3.947 -12.673 126 HB2 ALA 14 2HB ALA 14 4.018 4.275 -12.584 127 HB3 ALA 14 3HB ALA 14 3.077 4.099 -11.104 128 H HIS 15 HN HIS 15 3.755 2.222 -9.598 129 HA HIS 15 HA HIS 15 6.576 2.338 -9.433 130 HB2 HIS 15 2HB HIS 15 4.984 2.952 -7.582 131 HB3 HIS 15 1HB HIS 15 4.693 1.236 -7.338 132 HD1 HIS 15 1HD HIS 15 7.762 3.500 -7.492 133 HD2 HIS 15 2HD HIS 15 6.273 0.228 -5.394 134 HE1 HIS 15 1HE HIS 15 9.498 2.959 -5.750 135 HE2 HIS 15 2HE HIS 15 8.470 1.129 -4.360 136 H ALA 16 HN ALA 16 4.281 -0.324 -9.400 137 HA ALA 16 HA ALA 16 6.084 -2.386 -8.776 138 HB1 ALA 16 1HB ALA 16 4.398 -3.906 -9.633 139 HB2 ALA 16 2HB ALA 16 3.561 -2.565 -10.415 140 HB3 ALA 16 3HB ALA 16 3.651 -2.644 -8.655 141 H ARG 17 HN ARG 17 4.880 -1.297 -11.962 142 HA ARG 17 HA ARG 17 6.399 -3.135 -13.441 143 HB2 ARG 17 2HB ARG 17 5.875 -1.806 -15.401 144 HB3 ARG 17 1HB ARG 17 4.454 -2.009 -14.387 145 HG2 ARG 17 2HG ARG 17 4.728 0.218 -13.512 146 HG3 ARG 17 1HG ARG 17 6.204 0.429 -14.451 147 HD2 ARG 17 2HD ARG 17 3.434 -0.019 -15.560 148 HD3 ARG 17 1HD ARG 17 4.316 1.509 -15.560 149 HE ARG 17 HE ARG 17 6.028 0.082 -16.917 150 HH11 ARG 17 1HH1 ARG 17 2.525 0.005 -17.156 151 HH12 ARG 17 2HH1 ARG 17 2.524 -0.582 -18.797 152 HH21 ARG 17 1HH2 ARG 17 6.030 -0.688 -19.071 153 HH22 ARG 17 2HH2 ARG 17 4.522 -0.954 -19.895 154 H GLN 18 HN GLN 18 7.161 0.041 -12.215 155 HA GLN 18 HA GLN 18 9.547 0.431 -13.691 156 HB2 GLN 18 2HB GLN 18 8.340 2.257 -12.581 157 HB3 GLN 18 1HB GLN 18 8.706 1.554 -11.018 158 HG2 GLN 18 2HG GLN 18 11.066 1.939 -11.355 159 HG3 GLN 18 1HG GLN 18 10.749 2.571 -12.970 160 HE21 GLN 18 1HE2 GLN 18 9.863 4.607 -13.210 161 HE22 GLN 18 2HE2 GLN 18 9.797 5.744 -11.906 162 H ALA 19 HN ALA 19 8.839 -1.061 -10.590 163 HA ALA 19 HA ALA 19 11.639 -1.335 -9.918 164 HB1 ALA 19 1HB ALA 19 9.205 -2.337 -8.461 165 HB2 ALA 19 2HB ALA 19 10.015 -0.794 -8.184 166 HB3 ALA 19 3HB ALA 19 10.854 -2.305 -7.838 167 H LEU 20 HN LEU 20 9.423 -3.171 -11.696 168 HA LEU 20 HA LEU 20 10.084 -5.792 -11.070 169 HB2 LEU 20 2HB LEU 20 9.395 -4.558 -13.730 170 HB3 LEU 20 1HB LEU 20 9.535 -6.282 -13.470 171 HG LEU 20 HG LEU 20 7.531 -4.451 -12.157 172 HD11 LEU 20 1HD1 LEU 20 7.041 -4.865 -14.500 173 HD12 LEU 20 2HD1 LEU 20 5.895 -5.720 -13.468 174 HD13 LEU 20 3HD1 LEU 20 7.211 -6.602 -14.245 175 HD21 LEU 20 3HD2 LEU 20 6.562 -6.495 -11.228 176 HD22 LEU 20 1HD2 LEU 20 8.212 -6.248 -10.652 177 HD23 LEU 20 2HD2 LEU 20 7.887 -7.436 -11.913 178 HA PRO 21 HA PRO 21 10.444 -7.599 -11.809 179 HB2 PRO 21 2HB PRO 21 12.008 -9.753 -11.897 180 HB3 PRO 21 1HB PRO 21 11.476 -8.954 -13.381 181 HG2 PRO 21 2HG PRO 21 14.140 -8.941 -12.080 182 HG3 PRO 21 1HG PRO 21 13.723 -8.770 -13.792 183 HD2 PRO 21 2HD PRO 21 14.311 -6.694 -11.910 184 HD3 PRO 21 1HD PRO 21 13.831 -6.517 -13.610 185 H ASN 22 HN ASN 22 11.979 -5.927 -9.873 186 HA ASN 22 HA ASN 22 12.488 -7.929 -7.773 187 HB2 ASN 22 2HB ASN 22 13.358 -5.040 -7.965 188 HB3 ASN 22 1HB ASN 22 13.613 -6.059 -6.553 189 HD21 ASN 22 1HD2 ASN 22 15.568 -4.741 -8.209 190 HD22 ASN 22 2HD2 ASN 22 16.605 -5.979 -8.826 191 H GLU 23 HN GLU 23 12.094 -6.562 -5.500 192 HA GLU 23 HA GLU 23 9.287 -6.470 -5.244 193 HB2 GLU 23 2HB GLU 23 11.597 -6.209 -3.496 194 HB3 GLU 23 1HB GLU 23 10.291 -5.132 -3.032 195 HG2 GLU 23 2HG GLU 23 9.835 -8.051 -3.523 196 HG3 GLU 23 1HG GLU 23 10.360 -7.431 -1.960 197 H ALA 24 HN ALA 24 7.908 -4.799 -4.812 198 HA ALA 24 HA ALA 24 8.874 -2.076 -5.363 199 HB1 ALA 24 1HB ALA 24 7.871 -2.930 -7.431 200 HB2 ALA 24 2HB ALA 24 6.911 -1.622 -6.740 201 HB3 ALA 24 3HB ALA 24 6.383 -3.295 -6.557 202 H CYS 25 HN CYS 25 8.647 -1.260 -3.329 203 HA CYS 25 HA CYS 25 6.056 -1.734 -2.016 204 HB2 CYS 25 2HB CYS 25 7.244 -1.464 0.138 205 HB3 CYS 25 1HB CYS 25 7.835 -2.830 -0.797 206 HG CYS 25 HG CYS 25 9.650 -0.731 0.638 207 H GLY 26 HN GLY 26 5.372 -0.047 -0.514 208 HA2 GLY 26 2HA GLY 26 6.460 2.581 -0.640 209 HA3 GLY 26 1HA GLY 26 5.063 2.423 -1.700 210 H LEU 27 HN LEU 27 4.101 4.056 -0.239 211 HA LEU 27 HA LEU 27 3.040 2.797 2.209 212 HB2 LEU 27 2HB LEU 27 3.783 5.697 1.795 213 HB3 LEU 27 1HB LEU 27 3.019 5.044 3.232 214 HG LEU 27 HG LEU 27 5.768 4.280 2.246 215 HD11 LEU 27 1HD1 LEU 27 6.567 5.578 4.174 216 HD12 LEU 27 2HD1 LEU 27 4.915 6.112 4.484 217 HD13 LEU 27 3HD1 LEU 27 5.730 6.584 2.993 218 HD21 LEU 27 3HD2 LEU 27 5.984 3.221 4.451 219 HD22 LEU 27 1HD2 LEU 27 4.686 2.498 3.501 220 HD23 LEU 27 2HD2 LEU 27 4.304 3.626 4.803 221 H LEU 28 HN LEU 28 0.910 3.483 2.833 222 HA LEU 28 HA LEU 28 -0.659 4.586 0.590 223 HB2 LEU 28 2HB LEU 28 -1.506 2.604 2.704 224 HB3 LEU 28 1HB LEU 28 -2.551 3.265 1.463 225 HG LEU 28 HG LEU 28 -0.123 1.550 0.931 226 HD11 LEU 28 1HD1 LEU 28 -3.058 0.859 0.861 227 HD12 LEU 28 2HD1 LEU 28 -1.884 0.287 2.047 228 HD13 LEU 28 3HD1 LEU 28 -1.738 -0.195 0.357 229 HD21 LEU 28 3HD2 LEU 28 -0.985 1.439 -1.348 230 HD22 LEU 28 1HD2 LEU 28 -0.644 3.106 -0.883 231 HD23 LEU 28 2HD2 LEU 28 -2.307 2.520 -0.908 232 H GLY 29 HN GLY 29 -1.755 6.398 0.970 233 HA2 GLY 29 2HA GLY 29 -2.156 7.193 3.785 234 HA3 GLY 29 1HA GLY 29 -1.689 8.331 2.528 235 H GLY 30 HN GLY 30 -4.088 8.030 4.357 236 HA2 GLY 30 2HA GLY 30 -5.993 9.207 2.733 237 HA3 GLY 30 1HA GLY 30 -6.333 7.480 2.699 238 H ARG 31 HN ARG 31 -8.251 7.561 3.824 239 HA ARG 31 HA ARG 31 -7.982 8.385 6.644 240 HB2 ARG 31 2HB ARG 31 -10.448 8.569 4.909 241 HB3 ARG 31 1HB ARG 31 -10.413 8.870 6.637 242 HG2 ARG 31 2HG ARG 31 -8.692 10.681 6.097 243 HG3 ARG 31 1HG ARG 31 -9.239 10.504 4.426 244 HD2 ARG 31 2HD ARG 31 -10.919 11.216 6.825 245 HD3 ARG 31 1HD ARG 31 -10.491 12.274 5.482 246 HE ARG 31 HE ARG 31 -11.872 10.797 4.063 247 HH11 ARG 31 1HH1 ARG 31 -12.365 10.696 7.541 248 HH12 ARG 31 2HH1 ARG 31 -14.031 10.219 7.405 249 HH21 ARG 31 1HH2 ARG 31 -14.079 10.182 3.904 250 HH22 ARG 31 2HH2 ARG 31 -14.983 9.896 5.370 251 H ARG 32 HN ARG 32 -8.430 6.866 8.103 252 HA ARG 32 HA ARG 32 -10.197 4.663 7.281 253 HB2 ARG 32 2HB ARG 32 -9.281 3.481 9.339 254 HB3 ARG 32 1HB ARG 32 -8.167 3.661 7.994 255 HG2 ARG 32 2HG ARG 32 -7.044 5.474 9.104 256 HG3 ARG 32 1HG ARG 32 -8.226 5.447 10.415 257 HD2 ARG 32 2HD ARG 32 -7.509 3.261 11.091 258 HD3 ARG 32 1HD ARG 32 -6.454 3.123 9.687 259 HE ARG 32 HE ARG 32 -5.176 5.016 10.694 260 HH11 ARG 32 1HH1 ARG 32 -7.129 2.912 12.718 261 HH12 ARG 32 2HH1 ARG 32 -6.142 3.171 14.126 262 HH21 ARG 32 1HH2 ARG 32 -3.892 5.337 12.527 263 HH22 ARG 32 2HH2 ARG 32 -4.304 4.554 14.027 264 H ASP 33 HN ASP 33 -12.178 4.699 8.133 265 HA ASP 33 HA ASP 33 -12.635 6.771 10.198 266 HB2 ASP 33 2HB ASP 33 -13.605 7.065 7.852 267 HB3 ASP 33 1HB ASP 33 -14.686 5.731 8.243 268 H GLY 34 HN GLY 34 -11.855 4.164 10.846 269 HA2 GLY 34 2HA GLY 34 -12.938 3.135 12.881 270 HA3 GLY 34 1HA GLY 34 -14.331 2.903 11.829 271 H ASP 35 HN ASP 35 -14.386 1.195 10.480 272 HA ASP 35 HA ASP 35 -12.008 -0.532 10.416 273 HB2 ASP 35 2HB ASP 35 -14.518 -1.257 11.046 274 HB3 ASP 35 1HB ASP 35 -14.594 -1.482 9.300 275 H ASP 36 HN ASP 36 -14.122 1.435 8.535 276 HA ASP 36 HA ASP 36 -13.250 0.409 5.988 277 HB2 ASP 36 2HB ASP 36 -14.433 2.830 5.432 278 HB3 ASP 36 1HB ASP 36 -15.243 1.271 5.450 279 H ARG 37 HN ARG 37 -11.802 1.220 4.668 280 HA ARG 37 HA ARG 37 -10.200 3.511 5.551 281 HB2 ARG 37 2HB ARG 37 -9.071 0.904 4.505 282 HB3 ARG 37 1HB ARG 37 -8.150 2.302 5.049 283 HG2 ARG 37 2HG ARG 37 -8.999 2.001 7.313 284 HG3 ARG 37 1HG ARG 37 -9.955 0.620 6.779 285 HD2 ARG 37 2HD ARG 37 -6.948 0.827 6.733 286 HD3 ARG 37 1HD ARG 37 -7.905 -0.084 7.897 287 HE ARG 37 HE ARG 37 -7.192 -0.875 5.237 288 HH11 ARG 37 1HH1 ARG 37 -9.620 -1.296 7.735 289 HH12 ARG 37 2HH1 ARG 37 -10.015 -2.911 7.246 290 HH21 ARG 37 1HH2 ARG 37 -7.713 -3.019 4.623 291 HH22 ARG 37 2HH2 ARG 37 -8.951 -3.884 5.490 292 H TRP 38 HN TRP 38 -10.146 4.995 4.002 293 HA TRP 38 HA TRP 38 -10.400 4.123 1.197 294 HB2 TRP 38 2HB TRP 38 -11.159 6.758 2.476 295 HB3 TRP 38 1HB TRP 38 -11.223 6.436 0.747 296 HD1 TRP 38 1HD TRP 38 -13.049 4.503 -0.030 297 HE1 TRP 38 1HE TRP 38 -15.359 3.947 0.975 298 HE3 TRP 38 3HE TRP 38 -12.474 6.678 4.565 299 HZ2 TRP 38 2HZ TRP 38 -16.737 4.376 3.389 300 HZ3 TRP 38 3HZ TRP 38 -14.341 6.558 6.164 301 HH2 TRP 38 2HH TRP 38 -16.428 5.430 5.585 302 H VAL 39 HN VAL 39 -8.622 4.298 0.018 303 HA VAL 39 HA VAL 39 -6.412 5.952 0.957 304 HB VAL 39 HB VAL 39 -6.532 4.110 -1.439 305 HG11 VAL 39 1HG1 VAL 39 -4.820 5.794 -1.692 306 HG12 VAL 39 2HG1 VAL 39 -4.077 4.227 -1.362 307 HG13 VAL 39 3HG1 VAL 39 -4.190 5.437 -0.084 308 HG21 VAL 39 3HG2 VAL 39 -5.383 3.604 1.304 309 HG22 VAL 39 1HG2 VAL 39 -5.296 2.514 -0.079 310 HG23 VAL 39 2HG2 VAL 39 -6.856 2.890 0.649 311 H GLU 40 HN GLU 40 -6.585 8.049 0.441 312 HA GLU 40 HA GLU 40 -7.715 8.792 -2.139 313 HB2 GLU 40 2HB GLU 40 -6.953 10.444 0.272 314 HB3 GLU 40 1HB GLU 40 -7.510 11.144 -1.240 315 HG2 GLU 40 2HG GLU 40 -9.623 9.911 -1.013 316 HG3 GLU 40 1HG GLU 40 -9.066 9.264 0.528 317 H ARG 41 HN ARG 41 -4.630 8.407 -0.655 318 HA ARG 41 HA ARG 41 -3.378 9.277 -3.125 319 HB2 ARG 41 2HB ARG 41 -3.478 11.331 -1.758 320 HB3 ARG 41 1HB ARG 41 -2.580 10.519 -0.487 321 HG2 ARG 41 2HG ARG 41 -0.654 10.310 -1.939 322 HG3 ARG 41 1HG ARG 41 -1.557 11.033 -3.271 323 HD2 ARG 41 2HD ARG 41 -1.761 13.116 -2.038 324 HD3 ARG 41 1HD ARG 41 -0.949 12.396 -0.649 325 HE ARG 41 HE ARG 41 0.601 12.320 -3.072 326 HH11 ARG 41 1HH1 ARG 41 -0.261 14.326 -0.323 327 HH12 ARG 41 2HH1 ARG 41 1.258 15.185 -0.317 328 HH21 ARG 41 1HH2 ARG 41 2.549 13.473 -3.099 329 HH22 ARG 41 2HH2 ARG 41 2.835 14.715 -1.915 330 H VAL 42 HN VAL 42 -2.155 7.609 -3.660 331 HA VAL 42 HA VAL 42 -0.863 5.950 -1.672 332 HB VAL 42 HB VAL 42 -0.841 5.845 -4.694 333 HG11 VAL 42 1HG1 VAL 42 0.272 3.660 -4.465 334 HG12 VAL 42 2HG1 VAL 42 0.442 3.942 -2.733 335 HG13 VAL 42 3HG1 VAL 42 1.285 4.982 -3.882 336 HG21 VAL 42 3HG2 VAL 42 -2.173 3.819 -4.387 337 HG22 VAL 42 1HG2 VAL 42 -2.959 5.213 -3.642 338 HG23 VAL 42 2HG2 VAL 42 -2.109 4.038 -2.637 339 H TYR 43 HN TYR 43 1.280 5.909 -1.194 340 HA TYR 43 HA TYR 43 2.936 8.037 -2.374 341 HB2 TYR 43 2HB TYR 43 2.917 6.831 0.384 342 HB3 TYR 43 1HB TYR 43 4.289 7.753 -0.218 343 HD1 TYR 43 2HD TYR 43 0.627 8.000 0.421 344 HD2 TYR 43 1HD TYR 43 4.309 10.074 -0.066 345 HE1 TYR 43 2HE TYR 43 -0.463 10.090 1.123 346 HE2 TYR 43 1HE TYR 43 3.229 12.168 0.630 347 HH TYR 43 HH TYR 43 1.071 13.157 0.787 348 HA PRO 44 HA PRO 44 5.072 4.197 -3.783 349 HB2 PRO 44 2HB PRO 44 5.933 5.983 -5.951 350 HB3 PRO 44 1HB PRO 44 5.120 4.419 -6.049 351 HG2 PRO 44 2HG PRO 44 3.867 6.725 -6.662 352 HG3 PRO 44 1HG PRO 44 3.019 5.354 -5.923 353 HD2 PRO 44 2HD PRO 44 4.022 7.873 -4.649 354 HD3 PRO 44 1HD PRO 44 2.499 6.999 -4.373 355 H LEU 45 HN LEU 45 6.548 4.343 -2.090 356 HA LEU 45 HA LEU 45 8.449 6.508 -1.997 357 HB2 LEU 45 2HB LEU 45 7.378 5.443 0.024 358 HB3 LEU 45 1HB LEU 45 8.359 4.025 -0.285 359 HG LEU 45 HG LEU 45 10.399 5.398 0.012 360 HD11 LEU 45 1HD1 LEU 45 9.490 7.563 -0.621 361 HD12 LEU 45 2HD1 LEU 45 10.196 7.634 0.994 362 HD13 LEU 45 3HD1 LEU 45 8.445 7.556 0.800 363 HD21 LEU 45 3HD2 LEU 45 9.499 4.129 1.885 364 HD22 LEU 45 1HD2 LEU 45 8.453 5.481 2.315 365 HD23 LEU 45 2HD2 LEU 45 10.203 5.648 2.443 366 H ASN 46 HN ASN 46 10.787 6.053 -1.799 367 HA ASN 46 HA ASN 46 11.663 4.539 -4.049 368 HB2 ASN 46 2HB ASN 46 12.737 6.646 -3.346 369 HB3 ASN 46 1HB ASN 46 13.290 5.867 -1.871 370 HD21 ASN 46 1HD2 ASN 46 15.434 6.180 -2.304 371 HD22 ASN 46 2HD2 ASN 46 16.279 5.353 -3.566 372 H ASN 47 HN ASN 47 12.709 2.646 -4.141 373 HA ASN 47 HA ASN 47 12.523 0.889 -1.836 374 HB2 ASN 47 2HB ASN 47 12.918 0.548 -4.765 375 HB3 ASN 47 1HB ASN 47 13.598 -0.689 -3.716 376 HD21 ASN 47 1HD2 ASN 47 12.247 -2.063 -2.629 377 HD22 ASN 47 2HD2 ASN 47 10.550 -2.146 -2.917 378 H LEU 48 HN LEU 48 14.099 0.851 -0.427 379 HA LEU 48 HA LEU 48 16.662 1.919 -0.826 380 HB2 LEU 48 2HB LEU 48 15.518 0.087 1.270 381 HB3 LEU 48 1HB LEU 48 17.190 0.602 1.310 382 HG LEU 48 HG LEU 48 15.806 1.932 2.809 383 HD11 LEU 48 1HD1 LEU 48 16.805 3.493 0.437 384 HD12 LEU 48 2HD1 LEU 48 17.765 2.965 1.818 385 HD13 LEU 48 3HD1 LEU 48 16.478 4.151 2.040 386 HD21 LEU 48 3HD2 LEU 48 14.120 3.465 1.964 387 HD22 LEU 48 1HD2 LEU 48 13.686 1.794 1.609 388 HD23 LEU 48 2HD2 LEU 48 14.340 2.825 0.335 389 H ASP 49 HN ASP 49 15.904 -1.493 -0.126 390 HA ASP 49 HA ASP 49 18.376 -2.321 -1.398 391 HB2 ASP 49 2HB ASP 49 17.588 -4.626 -0.703 392 HB3 ASP 49 1HB ASP 49 17.824 -3.493 0.621 393 H GLN 50 HN GLN 50 14.902 -2.691 -1.884 394 HA GLN 50 HA GLN 50 13.638 -3.451 -3.609 395 HB2 GLN 50 2HB GLN 50 14.940 -1.524 -4.710 396 HB3 GLN 50 1HB GLN 50 15.942 -2.770 -5.437 397 HG2 GLN 50 2HG GLN 50 13.892 -3.751 -6.444 398 HG3 GLN 50 1HG GLN 50 12.982 -2.378 -5.819 399 HE21 GLN 50 1HE2 GLN 50 13.350 -3.207 -8.562 400 HE22 GLN 50 2HE2 GLN 50 14.099 -1.877 -9.378 401 H SER 51 HN SER 51 14.814 -5.420 -2.241 402 HA SER 51 HA SER 51 16.383 -7.174 -3.866 403 HB2 SER 51 2HB SER 51 14.804 -7.847 -1.369 404 HB3 SER 51 1HB SER 51 16.185 -8.722 -2.024 405 HG SER 51 HG SER 51 16.105 -6.218 -0.727 406 HA PRO 52 HA PRO 52 13.157 -9.213 -6.099 407 HB2 PRO 52 2HB PRO 52 14.135 -11.738 -6.322 408 HB3 PRO 52 1HB PRO 52 14.785 -10.370 -7.233 409 HG2 PRO 52 2HG PRO 52 15.818 -11.646 -4.733 410 HG3 PRO 52 1HG PRO 52 16.715 -11.090 -6.157 411 HD2 PRO 52 2HD PRO 52 16.565 -9.647 -3.866 412 HD3 PRO 52 1HD PRO 52 16.696 -8.891 -5.466 413 H GLU 53 HN GLU 53 14.036 -10.265 -2.949 414 HA GLU 53 HA GLU 53 11.673 -12.016 -2.788 415 HB2 GLU 53 2HB GLU 53 13.800 -11.851 -0.676 416 HB3 GLU 53 1HB GLU 53 12.680 -13.160 -1.011 417 HG2 GLU 53 2HG GLU 53 13.895 -13.809 -2.949 418 HG3 GLU 53 1HG GLU 53 14.918 -12.374 -2.852 419 H HIS 54 HN HIS 54 13.505 -9.658 -0.837 420 HA HIS 54 HA HIS 54 11.048 -9.178 0.714 421 HB2 HIS 54 2HB HIS 54 13.892 -8.759 1.656 422 HB3 HIS 54 1HB HIS 54 12.430 -8.709 2.634 423 HD1 HIS 54 1HD HIS 54 14.871 -10.612 3.208 424 HD2 HIS 54 2HD HIS 54 11.394 -11.677 1.188 425 HE1 HIS 54 1HE HIS 54 14.723 -13.120 3.376 426 HE2 HIS 54 2HE HIS 54 12.640 -13.753 2.094 427 H PHE 55 HN PHE 55 11.190 -6.971 1.892 428 HA PHE 55 HA PHE 55 12.187 -4.879 0.095 429 HB2 PHE 55 2HB PHE 55 10.022 -3.758 0.084 430 HB3 PHE 55 1HB PHE 55 9.822 -5.397 -0.529 431 HD1 PHE 55 2HD PHE 55 9.036 -7.181 1.165 432 HD2 PHE 55 1HD PHE 55 8.680 -2.989 1.811 433 HE1 PHE 55 2HE PHE 55 7.310 -7.596 2.862 434 HE2 PHE 55 1HE PHE 55 6.945 -3.398 3.509 435 HZ PHE 55 HZ PHE 55 6.259 -5.704 4.036 436 H SER 56 HN SER 56 12.290 -2.773 1.132 437 HA SER 56 HA SER 56 11.659 -2.579 3.939 438 HB2 SER 56 2HB SER 56 14.533 -2.392 3.006 439 HB3 SER 56 1HB SER 56 13.963 -1.974 4.620 440 HG SER 56 HG SER 56 13.098 -4.434 3.975 441 H MET 57 HN MET 57 11.386 -0.491 4.597 442 HA MET 57 HA MET 57 11.919 1.606 2.602 443 HB2 MET 57 2HB MET 57 9.665 1.385 4.608 444 HB3 MET 57 1HB MET 57 10.008 2.843 3.696 445 HG2 MET 57 2HG MET 57 8.252 1.801 2.564 446 HG3 MET 57 1HG MET 57 9.685 1.441 1.607 447 HE1 MET 57 3HE MET 57 7.559 -1.575 4.378 448 HE2 MET 57 1HE MET 57 6.974 0.058 4.072 449 HE3 MET 57 2HE MET 57 8.456 -0.187 4.997 450 H ASP 58 HN ASP 58 12.654 3.623 3.387 451 HA ASP 58 HA ASP 58 14.221 3.421 5.817 452 HB2 ASP 58 2HB ASP 58 15.147 4.387 3.717 453 HB3 ASP 58 1HB ASP 58 13.951 5.672 3.800 454 HA PRO 59 HA PRO 59 11.139 5.410 8.313 455 HB2 PRO 59 2HB PRO 59 13.297 6.263 10.108 456 HB3 PRO 59 1HB PRO 59 11.982 5.123 10.401 457 HG2 PRO 59 2HG PRO 59 14.535 4.312 10.146 458 HG3 PRO 59 1HG PRO 59 13.173 3.329 9.569 459 HD2 PRO 59 2HD PRO 59 15.024 5.106 8.012 460 HD3 PRO 59 1HD PRO 59 14.424 3.481 7.612 461 H ARG 60 HN ARG 60 14.054 7.135 7.434 462 HA ARG 60 HA ARG 60 13.076 9.735 8.157 463 HB2 ARG 60 2HB ARG 60 15.364 9.736 8.175 464 HB3 ARG 60 1HB ARG 60 15.481 8.577 6.861 465 HG2 ARG 60 2HG ARG 60 14.629 10.570 5.411 466 HG3 ARG 60 1HG ARG 60 15.231 11.538 6.763 467 HD2 ARG 60 2HD ARG 60 16.889 11.137 4.915 468 HD3 ARG 60 1HD ARG 60 17.427 10.655 6.525 469 HE ARG 60 HE ARG 60 16.662 8.333 5.799 470 HH11 ARG 60 1HH1 ARG 60 17.834 10.726 3.536 471 HH12 ARG 60 2HH1 ARG 60 18.466 9.552 2.428 472 HH21 ARG 60 1HH2 ARG 60 17.481 6.780 4.347 473 HH22 ARG 60 2HH2 ARG 60 18.250 7.317 2.879 474 H GLU 61 HN GLU 61 13.445 7.882 5.161 475 HA GLU 61 HA GLU 61 12.316 9.776 3.404 476 HB2 GLU 61 2HB GLU 61 12.370 6.754 3.305 477 HB3 GLU 61 1HB GLU 61 11.772 7.752 1.989 478 HG2 GLU 61 2HG GLU 61 14.560 7.874 3.102 479 HG3 GLU 61 1HG GLU 61 14.083 6.967 1.668 480 H GLN 62 HN GLN 62 10.894 7.170 5.315 481 HA GLN 62 HA GLN 62 8.234 7.451 4.495 482 HB2 GLN 62 2HB GLN 62 8.992 5.487 5.656 483 HB3 GLN 62 1HB GLN 62 9.463 6.435 7.058 484 HG2 GLN 62 2HG GLN 62 7.172 6.927 7.558 485 HG3 GLN 62 1HG GLN 62 6.647 6.134 6.075 486 HE21 GLN 62 1HE2 GLN 62 7.974 5.670 9.263 487 HE22 GLN 62 2HE2 GLN 62 7.595 3.985 9.381 488 H LEU 63 HN LEU 63 10.004 8.927 7.195 489 HA LEU 63 HA LEU 63 7.887 10.231 8.444 490 HB2 LEU 63 2HB LEU 63 10.141 10.028 9.392 491 HB3 LEU 63 1HB LEU 63 10.755 11.136 8.179 492 HG LEU 63 HG LEU 63 9.313 12.921 9.123 493 HD11 LEU 63 1HD1 LEU 63 8.285 12.596 11.309 494 HD12 LEU 63 2HD1 LEU 63 8.749 10.894 11.281 495 HD13 LEU 63 3HD1 LEU 63 7.586 11.511 10.108 496 HD21 LEU 63 3HD2 LEU 63 11.653 12.701 9.787 497 HD22 LEU 63 1HD2 LEU 63 11.180 11.623 11.099 498 HD23 LEU 63 2HD2 LEU 63 10.659 13.308 11.110 499 H THR 64 HN THR 64 9.966 11.326 5.808 500 HA THR 64 HA THR 64 8.983 13.933 5.560 501 HB THR 64 HB THR 64 9.997 12.223 3.281 502 HG1 THR 64 1HG THR 64 11.660 12.036 4.648 503 HG21 THR 64 3HG2 THR 64 9.095 14.424 2.661 504 HG22 THR 64 1HG2 THR 64 10.839 14.345 2.413 505 HG23 THR 64 2HG2 THR 64 10.185 15.190 3.815 506 H ALA 65 HN ALA 65 7.865 10.882 4.182 507 HA ALA 65 HA ALA 65 5.915 12.074 2.468 508 HB1 ALA 65 1HB ALA 65 6.920 9.857 2.039 509 HB2 ALA 65 2HB ALA 65 5.157 9.816 2.061 510 HB3 ALA 65 3HB ALA 65 6.071 9.227 3.449 511 H VAL 66 HN VAL 66 5.790 10.482 5.645 512 HA VAL 66 HA VAL 66 2.991 10.589 5.956 513 HB VAL 66 HB VAL 66 5.122 10.550 8.104 514 HG11 VAL 66 1HG1 VAL 66 2.189 9.859 8.268 515 HG12 VAL 66 2HG1 VAL 66 2.963 11.271 8.987 516 HG13 VAL 66 3HG1 VAL 66 3.370 9.654 9.560 517 HG21 VAL 66 3HG2 VAL 66 5.312 8.653 6.608 518 HG22 VAL 66 1HG2 VAL 66 3.592 8.316 6.780 519 HG23 VAL 66 2HG2 VAL 66 4.668 8.130 8.165 520 H LYS 67 HN LYS 67 5.541 12.888 6.712 521 HA LYS 67 HA LYS 67 4.015 14.641 8.289 522 HB2 LYS 67 2HB LYS 67 6.518 14.649 8.035 523 HB3 LYS 67 1HB LYS 67 6.294 15.404 6.464 524 HG2 LYS 67 2HG LYS 67 5.490 17.388 7.388 525 HG3 LYS 67 1HG LYS 67 5.150 16.630 8.946 526 HD2 LYS 67 2HD LYS 67 7.906 17.039 7.788 527 HD3 LYS 67 1HD LYS 67 7.151 18.091 8.987 528 HE2 LYS 67 2HE LYS 67 6.970 16.165 10.517 529 HE3 LYS 67 1HE LYS 67 7.788 15.161 9.326 530 HZ1 LYS 67 3HZ LYS 67 8.951 17.575 10.607 531 HZ2 LYS 67 1HZ LYS 67 9.740 16.541 9.516 532 HZ3 LYS 67 2HZ LYS 67 9.295 15.974 11.050 533 H ASP 68 HN ASP 68 4.556 14.502 4.797 534 HA ASP 68 HA ASP 68 3.043 16.855 4.191 535 HB2 ASP 68 2HB ASP 68 4.760 15.832 2.676 536 HB3 ASP 68 1HB ASP 68 3.648 14.504 2.385 537 H MET 69 HN MET 69 2.400 13.436 4.320 538 HA MET 69 HA MET 69 -0.201 13.296 3.336 539 HB2 MET 69 2HB MET 69 1.402 11.434 4.024 540 HB3 MET 69 1HB MET 69 0.857 11.704 5.667 541 HG2 MET 69 2HG MET 69 -1.449 11.194 4.942 542 HG3 MET 69 1HG MET 69 -0.819 10.803 3.340 543 HE1 MET 69 3HE MET 69 1.720 7.888 4.392 544 HE2 MET 69 1HE MET 69 2.058 9.620 4.448 545 HE3 MET 69 2HE MET 69 1.211 8.930 3.063 546 H ARG 70 HN ARG 70 0.927 13.736 6.660 547 HA ARG 70 HA ARG 70 -1.688 14.039 7.757 548 HB2 ARG 70 2HB ARG 70 0.300 13.263 9.041 549 HB3 ARG 70 1HB ARG 70 0.964 14.888 8.941 550 HG2 ARG 70 2HG ARG 70 -0.992 15.739 10.165 551 HG3 ARG 70 1HG ARG 70 -1.594 14.086 10.310 552 HD2 ARG 70 2HD ARG 70 0.447 13.467 11.521 553 HD3 ARG 70 1HD ARG 70 1.011 15.134 11.404 554 HE ARG 70 HE ARG 70 -1.519 14.482 12.768 555 HH11 ARG 70 1HH1 ARG 70 1.677 15.910 12.766 556 HH12 ARG 70 2HH1 ARG 70 1.499 16.633 14.336 557 HH21 ARG 70 1HH2 ARG 70 -1.770 15.432 14.817 558 HH22 ARG 70 2HH2 ARG 70 -0.472 16.355 15.509 559 H LYS 71 HN LYS 71 0.647 16.192 6.385 560 HA LYS 71 HA LYS 71 -0.298 18.644 7.407 561 HB2 LYS 71 2HB LYS 71 1.888 18.337 6.305 562 HB3 LYS 71 1HB LYS 71 1.077 18.066 4.777 563 HG2 LYS 71 2HG LYS 71 0.210 20.333 4.805 564 HG3 LYS 71 1HG LYS 71 0.975 20.617 6.370 565 HD2 LYS 71 2HD LYS 71 3.154 20.393 5.433 566 HD3 LYS 71 1HD LYS 71 2.497 19.818 3.899 567 HE2 LYS 71 2HE LYS 71 2.104 22.570 5.070 568 HE3 LYS 71 1HE LYS 71 3.209 22.155 3.758 569 HZ1 LYS 71 3HZ LYS 71 1.223 23.046 2.822 570 HZ2 LYS 71 1HZ LYS 71 0.243 21.987 3.712 571 HZ3 LYS 71 2HZ LYS 71 1.246 21.384 2.485 572 H ASN 72 HN ASN 72 -1.231 16.686 4.647 573 HA ASN 72 HA ASN 72 -3.143 18.661 3.720 574 HB2 ASN 72 2HB ASN 72 -1.889 17.128 2.167 575 HB3 ASN 72 1HB ASN 72 -2.846 15.795 2.805 576 HD21 ASN 72 1HD2 ASN 72 -4.106 19.025 2.297 577 HD22 ASN 72 2HD2 ASN 72 -5.179 18.603 1.003 578 H GLY 73 HN GLY 73 -3.079 16.009 5.900 579 HA2 GLY 73 2HA GLY 73 -4.837 15.912 7.553 580 HA3 GLY 73 1HA GLY 73 -5.975 16.370 6.298 581 H TRP 74 HN TRP 74 -3.456 13.899 6.108 582 HA TRP 74 HA TRP 74 -5.560 11.843 6.110 583 HB2 TRP 74 2HB TRP 74 -3.171 12.086 4.290 584 HB3 TRP 74 1HB TRP 74 -4.004 10.557 4.541 585 HD1 TRP 74 1HD TRP 74 -6.992 11.489 4.426 586 HE1 TRP 74 1HE TRP 74 -8.008 12.298 2.205 587 HE3 TRP 74 3HE TRP 74 -2.679 12.752 1.989 588 HZ2 TRP 74 2HZ TRP 74 -7.093 13.335 -0.252 589 HZ3 TRP 74 3HZ TRP 74 -2.842 13.641 -0.299 590 HH2 TRP 74 2HH TRP 74 -5.003 13.926 -1.395 591 H VAL 75 HN VAL 75 -4.630 9.637 6.525 592 HA VAL 75 HA VAL 75 -2.312 9.741 8.326 593 HB VAL 75 HB VAL 75 -3.392 8.061 9.787 594 HG11 VAL 75 1HG1 VAL 75 -3.471 10.405 10.418 595 HG12 VAL 75 2HG1 VAL 75 -4.960 9.593 10.902 596 HG13 VAL 75 3HG1 VAL 75 -4.944 10.630 9.475 597 HG21 VAL 75 3HG2 VAL 75 -5.860 8.624 8.144 598 HG22 VAL 75 1HG2 VAL 75 -5.802 7.656 9.617 599 HG23 VAL 75 2HG2 VAL 75 -4.954 7.112 8.169 600 H MET 76 HN MET 76 -1.338 7.573 8.669 601 HA MET 76 HA MET 76 -0.931 6.279 6.156 602 HB2 MET 76 2HB MET 76 0.924 6.509 7.691 603 HB3 MET 76 1HB MET 76 0.053 5.626 8.937 604 HG2 MET 76 2HG MET 76 0.139 3.603 7.579 605 HG3 MET 76 1HG MET 76 0.990 4.485 6.312 606 HE1 MET 76 3HE MET 76 3.470 5.210 6.403 607 HE2 MET 76 1HE MET 76 4.458 5.182 7.863 608 HE3 MET 76 2HE MET 76 3.074 6.271 7.757 609 H LEU 77 HN LEU 77 -2.045 4.654 5.320 610 HA LEU 77 HA LEU 77 -3.901 3.193 7.056 611 HB2 LEU 77 2HB LEU 77 -3.746 3.307 4.044 612 HB3 LEU 77 1HB LEU 77 -4.971 2.459 4.968 613 HG LEU 77 HG LEU 77 -4.549 5.445 4.875 614 HD11 LEU 77 1HD1 LEU 77 -5.592 4.501 2.877 615 HD12 LEU 77 2HD1 LEU 77 -6.733 5.472 3.807 616 HD13 LEU 77 3HD1 LEU 77 -6.804 3.712 3.884 617 HD21 LEU 77 3HD2 LEU 77 -6.589 3.831 6.401 618 HD22 LEU 77 1HD2 LEU 77 -6.538 5.591 6.282 619 HD23 LEU 77 2HD2 LEU 77 -5.241 4.723 7.106 620 H GLY 78 HN GLY 78 -0.901 2.849 5.578 621 HA2 GLY 78 2HA GLY 78 0.044 0.626 6.548 622 HA3 GLY 78 1HA GLY 78 -1.101 -0.066 5.407 623 H ASN 79 HN ASN 79 0.571 -1.061 4.257 624 HA ASN 79 HA ASN 79 1.910 0.734 2.394 625 HB2 ASN 79 2HB ASN 79 4.076 -0.404 2.648 626 HB3 ASN 79 1HB ASN 79 3.592 0.395 4.135 627 HD21 ASN 79 1HD2 ASN 79 3.150 -0.823 5.945 628 HD22 ASN 79 2HD2 ASN 79 3.492 -2.510 6.041 629 H PHE 80 HN PHE 80 3.094 -0.665 0.698 630 HA PHE 80 HA PHE 80 1.637 -3.151 0.205 631 HB2 PHE 80 2HB PHE 80 1.129 -2.542 -2.096 632 HB3 PHE 80 1HB PHE 80 0.411 -1.374 -0.997 633 HD1 PHE 80 1HD PHE 80 1.316 0.901 -0.840 634 HD2 PHE 80 2HD PHE 80 2.835 -1.917 -3.647 635 HE1 PHE 80 1HE PHE 80 2.377 2.729 -2.095 636 HE2 PHE 80 2HE PHE 80 3.898 -0.091 -4.907 637 HZ PHE 80 HZ PHE 80 3.671 2.235 -4.129 638 H HIS 81 HN HIS 81 2.656 -4.568 -1.286 639 HA HIS 81 HA HIS 81 5.174 -3.853 -2.453 640 HB2 HIS 81 2HB HIS 81 6.494 -5.637 -1.351 641 HB3 HIS 81 1HB HIS 81 6.010 -4.360 -0.248 642 HD1 HIS 81 1HD HIS 81 4.081 -5.003 1.487 643 HD2 HIS 81 2HD HIS 81 5.761 -8.166 -0.614 644 HE1 HIS 81 1HE HIS 81 3.482 -7.068 2.786 645 HE2 HIS 81 2HE HIS 81 4.814 -8.900 1.683 646 H SER 82 HN SER 82 5.707 -5.170 -4.160 647 HA SER 82 HA SER 82 3.608 -7.124 -4.841 648 HB2 SER 82 2HB SER 82 3.309 -4.949 -6.000 649 HB3 SER 82 1HB SER 82 4.918 -5.121 -6.699 650 HG SER 82 HG SER 82 3.181 -7.255 -7.077 651 H HIS 83 HN HIS 83 4.226 -8.968 -5.889 652 HA HIS 83 HA HIS 83 7.115 -9.270 -6.404 653 HB2 HIS 83 2HB HIS 83 5.106 -11.325 -5.453 654 HB3 HIS 83 1HB HIS 83 6.726 -11.730 -6.009 655 HD1 HIS 83 1HD HIS 83 5.180 -11.670 -2.989 656 HD2 HIS 83 2HD HIS 83 8.514 -9.621 -4.380 657 HE1 HIS 83 1HE HIS 83 6.472 -11.012 -0.935 658 HE2 HIS 83 2HE HIS 83 8.310 -9.524 -1.808 659 HA PRO 84 HA PRO 84 5.845 -10.043 -10.540 660 HB2 PRO 84 2HB PRO 84 8.204 -10.758 -11.597 661 HB3 PRO 84 1HB PRO 84 7.892 -9.114 -11.029 662 HG2 PRO 84 2HG PRO 84 9.436 -11.308 -9.732 663 HG3 PRO 84 1HG PRO 84 9.753 -9.565 -9.749 664 HD2 PRO 84 2HD PRO 84 8.552 -10.971 -7.661 665 HD3 PRO 84 1HD PRO 84 8.472 -9.216 -7.900 666 H ALA 85 HN ALA 85 8.078 -12.608 -9.412 667 HA ALA 85 HA ALA 85 6.525 -14.515 -11.023 668 HB1 ALA 85 1HB ALA 85 8.922 -14.332 -11.559 669 HB2 ALA 85 2HB ALA 85 8.509 -15.941 -10.961 670 HB3 ALA 85 3HB ALA 85 9.317 -14.788 -9.902 671 H THR 86 HN THR 86 5.439 -13.711 -8.581 672 HA THR 86 HA THR 86 5.354 -16.235 -7.165 673 HB THR 86 HB THR 86 5.601 -14.395 -5.059 674 HG1 THR 86 1HG THR 86 7.860 -14.182 -6.774 675 HG21 THR 86 3HG2 THR 86 7.564 -16.438 -6.109 676 HG22 THR 86 1HG2 THR 86 6.259 -16.732 -4.960 677 HG23 THR 86 2HG2 THR 86 7.618 -15.705 -4.504 678 HA PRO 87 HA PRO 87 1.143 -15.039 -6.554 679 HB2 PRO 87 2HB PRO 87 1.138 -16.406 -3.959 680 HB3 PRO 87 1HB PRO 87 0.267 -16.813 -5.440 681 HG2 PRO 87 2HG PRO 87 2.320 -18.301 -4.536 682 HG3 PRO 87 1HG PRO 87 2.006 -18.083 -6.266 683 HD2 PRO 87 2HD PRO 87 4.027 -16.729 -4.520 684 HD3 PRO 87 1HD PRO 87 4.209 -17.360 -6.171 685 H ALA 88 HN ALA 88 -0.367 -14.057 -4.942 686 HA ALA 88 HA ALA 88 1.056 -11.935 -3.527 687 HB1 ALA 88 1HB ALA 88 -0.596 -11.280 -5.217 688 HB2 ALA 88 2HB ALA 88 -1.024 -10.696 -3.608 689 HB3 ALA 88 3HB ALA 88 -1.856 -12.095 -4.288 690 H ARG 89 HN ARG 89 1.550 -13.598 -1.857 691 HA ARG 89 HA ARG 89 -0.206 -13.065 0.361 692 HB2 ARG 89 2HB ARG 89 0.089 -15.806 -0.748 693 HB3 ARG 89 1HB ARG 89 0.189 -15.650 1.001 694 HG2 ARG 89 2HG ARG 89 -1.993 -14.355 0.857 695 HG3 ARG 89 1HG ARG 89 -2.100 -14.937 -0.803 696 HD2 ARG 89 2HD ARG 89 -2.160 -17.213 -0.078 697 HD3 ARG 89 1HD ARG 89 -1.781 -16.749 1.582 698 HE ARG 89 HE ARG 89 -4.211 -15.600 0.493 699 HH11 ARG 89 1HH1 ARG 89 -2.833 -18.285 2.283 700 HH12 ARG 89 2HH1 ARG 89 -4.315 -18.630 3.135 701 HH21 ARG 89 1HH2 ARG 89 -6.143 -16.055 1.624 702 HH22 ARG 89 2HH2 ARG 89 -6.178 -17.393 2.742 703 HA PRO 90 HA PRO 90 3.576 -12.492 2.464 704 HB2 PRO 90 2HB PRO 90 2.365 -13.756 4.850 705 HB3 PRO 90 1HB PRO 90 3.008 -12.124 4.645 706 HG2 PRO 90 2HG PRO 90 0.377 -12.555 4.807 707 HG3 PRO 90 1HG PRO 90 1.041 -11.326 3.712 708 HD2 PRO 90 2HD PRO 90 0.045 -14.079 3.090 709 HD3 PRO 90 1HD PRO 90 -0.191 -12.567 2.190 710 H SER 91 HN SER 91 5.400 -13.617 2.411 711 HA SER 91 HA SER 91 5.367 -16.512 2.586 712 HB2 SER 91 2HB SER 91 7.668 -14.598 2.111 713 HB3 SER 91 1HB SER 91 7.734 -16.351 1.937 714 HG SER 91 HG SER 91 7.175 -15.935 -0.050 715 H ALA 92 HN ALA 92 7.618 -17.262 3.797 716 HA ALA 92 HA ALA 92 6.958 -17.087 6.531 717 HB1 ALA 92 1HB ALA 92 8.990 -18.379 6.921 718 HB2 ALA 92 2HB ALA 92 9.525 -18.052 5.271 719 HB3 ALA 92 3HB ALA 92 8.083 -19.026 5.556 720 H GLU 93 HN GLU 93 9.558 -15.590 4.641 721 HA GLU 93 HA GLU 93 10.641 -14.180 6.885 722 HB2 GLU 93 2HB GLU 93 11.087 -13.193 4.111 723 HB3 GLU 93 1HB GLU 93 12.214 -13.312 5.454 724 HG2 GLU 93 2HG GLU 93 13.016 -14.962 4.107 725 HG3 GLU 93 1HG GLU 93 11.874 -15.894 5.078 726 H ASP 94 HN ASP 94 8.246 -13.501 4.453 727 HA ASP 94 HA ASP 94 7.999 -10.722 4.733 728 HB2 ASP 94 2HB ASP 94 6.907 -12.153 2.969 729 HB3 ASP 94 1HB ASP 94 5.763 -12.698 4.188 730 H LYS 95 HN LYS 95 6.500 -13.401 6.489 731 HA LYS 95 HA LYS 95 4.906 -12.020 8.298 732 HB2 LYS 95 2HB LYS 95 4.795 -14.413 8.162 733 HB3 LYS 95 1HB LYS 95 6.490 -14.576 8.586 734 HG2 LYS 95 2HG LYS 95 5.264 -15.200 10.488 735 HG3 LYS 95 1HG LYS 95 5.911 -13.597 10.827 736 HD2 LYS 95 2HD LYS 95 3.663 -13.598 11.585 737 HD3 LYS 95 1HD LYS 95 3.686 -12.669 10.084 738 HE2 LYS 95 2HE LYS 95 2.785 -14.518 8.855 739 HE3 LYS 95 1HE LYS 95 2.953 -15.589 10.245 740 HZ1 LYS 95 3HZ LYS 95 1.149 -13.231 10.100 741 HZ2 LYS 95 1HZ LYS 95 1.299 -14.279 11.422 742 HZ3 LYS 95 2HZ LYS 95 0.663 -14.847 9.953 743 H ARG 96 HN ARG 96 8.377 -12.534 8.288 744 HA ARG 96 HA ARG 96 8.824 -11.630 10.967 745 HB2 ARG 96 2HB ARG 96 10.666 -12.084 8.624 746 HB3 ARG 96 1HB ARG 96 11.237 -11.494 10.176 747 HG2 ARG 96 2HG ARG 96 10.502 -13.520 11.262 748 HG3 ARG 96 1HG ARG 96 9.810 -14.110 9.747 749 HD2 ARG 96 2HD ARG 96 11.931 -14.344 8.751 750 HD3 ARG 96 1HD ARG 96 12.711 -13.371 9.995 751 HE ARG 96 HE ARG 96 11.529 -15.722 11.089 752 HH11 ARG 96 1HH1 ARG 96 14.280 -14.617 9.223 753 HH12 ARG 96 2HH1 ARG 96 15.370 -15.796 9.892 754 HH21 ARG 96 1HH2 ARG 96 12.928 -17.311 11.921 755 HH22 ARG 96 2HH2 ARG 96 14.588 -17.356 11.408 756 H LEU 97 HN LEU 97 8.292 -10.049 7.985 757 HA LEU 97 HA LEU 97 9.636 -7.611 8.864 758 HB2 LEU 97 2HB LEU 97 8.381 -8.370 6.227 759 HB3 LEU 97 1HB LEU 97 9.140 -6.830 6.556 760 HG LEU 97 HG LEU 97 10.536 -9.503 6.588 761 HD11 LEU 97 1HD1 LEU 97 10.635 -7.248 4.593 762 HD12 LEU 97 2HD1 LEU 97 9.907 -8.834 4.341 763 HD13 LEU 97 3HD1 LEU 97 11.650 -8.690 4.567 764 HD21 LEU 97 3HD2 LEU 97 11.523 -7.929 8.164 765 HD22 LEU 97 1HD2 LEU 97 11.627 -6.709 6.897 766 HD23 LEU 97 2HD2 LEU 97 12.587 -8.184 6.781 767 H ALA 98 HN ALA 98 6.720 -9.005 9.270 768 HA ALA 98 HA ALA 98 5.023 -6.743 8.706 769 HB1 ALA 98 1HB ALA 98 4.185 -9.023 8.440 770 HB2 ALA 98 2HB ALA 98 3.229 -8.109 9.604 771 HB3 ALA 98 3HB ALA 98 4.397 -9.302 10.169 772 H PHE 99 HN PHE 99 5.870 -5.088 9.970 773 HA PHE 99 HA PHE 99 5.726 -5.474 12.881 774 HB2 PHE 99 2HB PHE 99 7.183 -3.405 11.226 775 HB3 PHE 99 1HB PHE 99 7.071 -3.349 12.982 776 HD1 PHE 99 1HD PHE 99 7.904 -5.445 14.251 777 HD2 PHE 99 2HD PHE 99 8.935 -4.535 10.223 778 HE1 PHE 99 1HE PHE 99 9.883 -6.897 14.431 779 HE2 PHE 99 2HE PHE 99 10.915 -5.984 10.397 780 HZ PHE 99 HZ PHE 99 11.390 -7.167 12.503 781 H ASP 100 HN ASP 100 3.846 -4.319 10.426 782 HA ASP 100 HA ASP 100 2.911 -1.878 11.565 783 HB2 ASP 100 2HB ASP 100 1.669 -3.767 9.548 784 HB3 ASP 100 1HB ASP 100 0.932 -2.241 10.024 785 HA PRO 101 HA PRO 101 0.466 -3.543 14.807 786 HB2 PRO 101 2HB PRO 101 -1.229 -1.460 15.245 787 HB3 PRO 101 1HB PRO 101 0.472 -1.447 15.725 788 HG2 PRO 101 2HG PRO 101 -0.845 -0.180 13.369 789 HG3 PRO 101 1HG PRO 101 0.463 0.437 14.391 790 HD2 PRO 101 2HD PRO 101 0.856 -0.672 11.919 791 HD3 PRO 101 1HD PRO 101 2.077 -0.672 13.205 792 H SER 102 HN SER 102 -1.638 -1.741 12.551 793 HA SER 102 HA SER 102 -3.225 -4.136 12.099 794 HB2 SER 102 2HB SER 102 -4.484 -1.577 13.118 795 HB3 SER 102 1HB SER 102 -5.326 -3.069 12.708 796 HG SER 102 HG SER 102 -3.462 -3.737 14.431 797 H LEU 103 HN LEU 103 -1.433 -2.301 10.613 798 HA LEU 103 HA LEU 103 -3.194 -0.813 8.866 799 HB2 LEU 103 2HB LEU 103 -0.201 -1.203 8.772 800 HB3 LEU 103 1HB LEU 103 -1.116 -0.106 7.757 801 HG LEU 103 HG LEU 103 -0.822 0.094 10.756 802 HD11 LEU 103 1HD1 LEU 103 0.432 2.126 10.256 803 HD12 LEU 103 2HD1 LEU 103 0.278 1.795 8.530 804 HD13 LEU 103 3HD1 LEU 103 1.202 0.702 9.559 805 HD21 LEU 103 3HD2 LEU 103 -3.017 0.867 10.026 806 HD22 LEU 103 1HD2 LEU 103 -2.259 1.904 8.817 807 HD23 LEU 103 2HD2 LEU 103 -2.008 2.220 10.535 808 H SER 104 HN SER 104 -2.936 -1.080 6.469 809 HA SER 104 HA SER 104 -3.447 -3.888 5.935 810 HB2 SER 104 2HB SER 104 -3.784 -1.488 4.124 811 HB3 SER 104 1HB SER 104 -4.441 -3.104 3.862 812 HG SER 104 HG SER 104 -5.145 -2.184 6.292 813 H TYR 105 HN TYR 105 -2.061 -5.217 4.984 814 HA TYR 105 HA TYR 105 0.219 -4.136 3.495 815 HB2 TYR 105 2HB TYR 105 -0.459 -6.915 4.475 816 HB3 TYR 105 1HB TYR 105 0.885 -6.593 3.388 817 HD1 TYR 105 1HD TYR 105 2.813 -5.281 4.160 818 HD2 TYR 105 2HD TYR 105 -0.318 -6.419 6.808 819 HE1 TYR 105 1HE TYR 105 4.280 -4.821 6.078 820 HE2 TYR 105 2HE TYR 105 1.136 -5.955 8.735 821 HH TYR 105 HH TYR 105 3.929 -4.179 8.531 822 H LEU 106 HN LEU 106 -0.415 -3.600 1.462 823 HA LEU 106 HA LEU 106 -2.215 -5.378 0.014 824 HB2 LEU 106 2HB LEU 106 -1.073 -2.666 -0.509 825 HB3 LEU 106 1HB LEU 106 -1.651 -3.617 -1.863 826 HG LEU 106 HG LEU 106 -3.878 -3.757 -0.775 827 HD11 LEU 106 1HD1 LEU 106 -4.391 -2.250 1.081 828 HD12 LEU 106 2HD1 LEU 106 -2.682 -1.829 1.208 829 HD13 LEU 106 3HD1 LEU 106 -3.212 -3.480 1.539 830 HD21 LEU 106 3HD2 LEU 106 -3.455 -2.078 -2.463 831 HD22 LEU 106 1HD2 LEU 106 -2.805 -0.981 -1.242 832 HD23 LEU 106 2HD2 LEU 106 -4.512 -1.426 -1.210 833 H ILE 107 HN ILE 107 -1.520 -7.001 -1.161 834 HA ILE 107 HA ILE 107 1.264 -6.927 -2.128 835 HB ILE 107 HB ILE 107 -0.319 -9.405 -1.412 836 HG12 ILE 107 2HG1 ILE 107 1.945 -8.061 0.090 837 HG13 ILE 107 1HG1 ILE 107 0.255 -8.054 0.582 838 HG21 ILE 107 1HG2 ILE 107 1.853 -10.542 -1.649 839 HG22 ILE 107 2HG2 ILE 107 2.580 -9.021 -2.171 840 HG23 ILE 107 3HG2 ILE 107 1.332 -9.787 -3.155 841 HD11 ILE 107 3HD1 ILE 107 1.556 -9.681 1.839 842 HD12 ILE 107 1HD1 ILE 107 1.997 -10.494 0.339 843 HD13 ILE 107 2HD1 ILE 107 0.314 -10.468 0.864 844 H ILE 108 HN ILE 108 1.469 -6.914 -4.237 845 HA ILE 108 HA ILE 108 -0.820 -7.755 -5.881 846 HB ILE 108 HB ILE 108 1.430 -5.878 -6.638 847 HG12 ILE 108 2HG1 ILE 108 -1.460 -5.248 -6.000 848 HG13 ILE 108 1HG1 ILE 108 -0.105 -4.948 -4.918 849 HG21 ILE 108 1HG2 ILE 108 -1.114 -6.590 -8.099 850 HG22 ILE 108 2HG2 ILE 108 0.521 -7.067 -8.561 851 HG23 ILE 108 3HG2 ILE 108 0.051 -5.368 -8.605 852 HD11 ILE 108 3HD1 ILE 108 -0.788 -2.916 -6.049 853 HD12 ILE 108 1HD1 ILE 108 -0.529 -3.685 -7.616 854 HD13 ILE 108 2HD1 ILE 108 0.841 -3.388 -6.547 855 H SER 109 HN SER 109 -0.580 -9.378 -7.293 856 HA SER 109 HA SER 109 2.093 -10.551 -7.585 857 HB2 SER 109 2HB SER 109 0.258 -12.047 -6.791 858 HB3 SER 109 1HB SER 109 -0.593 -11.760 -8.307 859 HG SER 109 HG SER 109 1.965 -12.975 -7.994 860 H LEU 110 HN LEU 110 3.171 -9.881 -9.319 861 HA LEU 110 HA LEU 110 1.712 -8.950 -11.676 862 HB2 LEU 110 2HB LEU 110 4.070 -8.150 -10.365 863 HB3 LEU 110 1HB LEU 110 4.590 -8.823 -11.897 864 HG LEU 110 HG LEU 110 4.278 -6.407 -12.048 865 HD11 LEU 110 1HD1 LEU 110 3.868 -7.781 -14.037 866 HD12 LEU 110 2HD1 LEU 110 2.847 -6.342 -14.012 867 HD13 LEU 110 3HD1 LEU 110 2.167 -7.914 -13.589 868 HD21 LEU 110 3HD2 LEU 110 1.410 -6.993 -11.321 869 HD22 LEU 110 1HD2 LEU 110 2.029 -5.436 -11.869 870 HD23 LEU 110 2HD2 LEU 110 2.581 -6.115 -10.338 871 H ALA 111 HN ALA 111 2.163 -11.817 -10.771 872 HA ALA 111 HA ALA 111 3.903 -13.105 -12.573 873 HB1 ALA 111 1HB ALA 111 1.459 -14.182 -11.180 874 HB2 ALA 111 2HB ALA 111 3.103 -14.173 -10.542 875 HB3 ALA 111 3HB ALA 111 2.710 -15.152 -11.958 876 H GLU 112 HN GLU 112 0.670 -11.921 -12.840 877 HA GLU 112 HA GLU 112 0.510 -12.902 -15.609 878 HB2 GLU 112 2HB GLU 112 -1.104 -14.040 -14.062 879 HB3 GLU 112 1HB GLU 112 -1.829 -12.471 -13.737 880 HG2 GLU 112 2HG GLU 112 -3.146 -13.674 -15.353 881 HG3 GLU 112 1HG GLU 112 -2.410 -12.263 -16.111 882 HA PRO 113 HA PRO 113 0.897 -8.344 -15.595 883 HB2 PRO 113 2HB PRO 113 1.355 -8.855 -18.478 884 HB3 PRO 113 1HB PRO 113 2.320 -7.919 -17.331 885 HG2 PRO 113 2HG PRO 113 3.135 -10.318 -18.167 886 HG3 PRO 113 1HG PRO 113 3.381 -9.795 -16.489 887 HD2 PRO 113 2HD PRO 113 1.339 -11.676 -17.609 888 HD3 PRO 113 1HD PRO 113 2.253 -11.776 -16.089 889 H GLN 114 HN GLN 114 -1.323 -10.325 -17.260 890 HA GLN 114 HA GLN 114 -2.782 -8.059 -18.367 891 HB2 GLN 114 2HB GLN 114 -3.344 -11.026 -18.457 892 HB3 GLN 114 1HB GLN 114 -4.343 -9.800 -19.223 893 HG2 GLN 114 2HG GLN 114 -2.378 -9.125 -20.574 894 HG3 GLN 114 1HG GLN 114 -1.488 -10.479 -19.877 895 HE21 GLN 114 1HE2 GLN 114 -2.233 -9.928 -22.649 896 HE22 GLN 114 2HE2 GLN 114 -3.136 -11.304 -23.178 897 H LYS 115 HN LYS 115 -2.683 -10.003 -15.575 898 HA LYS 115 HA LYS 115 -5.126 -8.764 -14.555 899 HB2 LYS 115 2HB LYS 115 -4.480 -11.713 -14.411 900 HB3 LYS 115 1HB LYS 115 -5.754 -10.933 -13.498 901 HG2 LYS 115 2HG LYS 115 -6.980 -10.445 -15.478 902 HG3 LYS 115 1HG LYS 115 -5.629 -10.950 -16.499 903 HD2 LYS 115 2HD LYS 115 -5.841 -13.230 -15.654 904 HD3 LYS 115 1HD LYS 115 -7.185 -12.727 -14.625 905 HE2 LYS 115 2HE LYS 115 -8.556 -12.253 -16.510 906 HE3 LYS 115 1HE LYS 115 -7.196 -12.436 -17.621 907 HZ1 LYS 115 3HZ LYS 115 -8.672 -14.377 -17.591 908 HZ2 LYS 115 1HZ LYS 115 -8.327 -14.618 -15.948 909 HZ3 LYS 115 2HZ LYS 115 -7.096 -14.768 -17.104 910 HA PRO 116 HA PRO 116 -1.581 -8.596 -11.567 911 HB2 PRO 116 2HB PRO 116 -2.057 -6.022 -10.792 912 HB3 PRO 116 1HB PRO 116 -0.986 -6.472 -12.120 913 HG2 PRO 116 2HG PRO 116 -3.781 -5.440 -12.204 914 HG3 PRO 116 1HG PRO 116 -2.432 -5.115 -13.306 915 HD2 PRO 116 2HD PRO 116 -4.476 -6.847 -13.862 916 HD3 PRO 116 1HD PRO 116 -2.849 -6.986 -14.555 917 H VAL 117 HN VAL 117 -2.298 -9.786 -9.930 918 HA VAL 117 HA VAL 117 -4.899 -9.361 -8.766 919 HB VAL 117 HB VAL 117 -2.682 -11.194 -7.819 920 HG11 VAL 117 1HG1 VAL 117 -4.492 -12.428 -6.703 921 HG12 VAL 117 2HG1 VAL 117 -5.642 -11.200 -7.232 922 HG13 VAL 117 3HG1 VAL 117 -4.354 -10.774 -6.107 923 HG21 VAL 117 3HG2 VAL 117 -4.989 -11.777 -9.679 924 HG22 VAL 117 1HG2 VAL 117 -3.874 -12.976 -9.024 925 HG23 VAL 117 2HG2 VAL 117 -3.282 -11.724 -10.117 926 H CYS 118 HN CYS 118 -5.291 -7.888 -7.278 927 HA CYS 118 HA CYS 118 -3.140 -7.142 -5.420 928 HB2 CYS 118 2HB CYS 118 -3.927 -5.328 -6.972 929 HB3 CYS 118 1HB CYS 118 -5.519 -5.457 -6.231 930 HG CYS 118 HG CYS 118 -2.696 -4.058 -5.013 931 H LYS 119 HN LYS 119 -3.457 -7.919 -3.427 932 HA LYS 119 HA LYS 119 -6.217 -7.989 -2.408 933 HB2 LYS 119 2HB LYS 119 -4.073 -10.040 -1.829 934 HB3 LYS 119 1HB LYS 119 -5.678 -10.014 -1.123 935 HG2 LYS 119 2HG LYS 119 -5.200 -10.275 -4.079 936 HG3 LYS 119 1HG LYS 119 -5.313 -11.659 -2.994 937 HD2 LYS 119 2HD LYS 119 -7.574 -10.996 -2.359 938 HD3 LYS 119 1HD LYS 119 -7.459 -9.568 -3.390 939 HE2 LYS 119 2HE LYS 119 -7.298 -10.936 -5.360 940 HE3 LYS 119 1HE LYS 119 -7.207 -12.401 -4.386 941 HZ1 LYS 119 3HZ LYS 119 -9.455 -12.139 -3.716 942 HZ2 LYS 119 1HZ LYS 119 -9.418 -11.947 -5.398 943 HZ3 LYS 119 2HZ LYS 119 -9.560 -10.591 -4.395 944 H SER 120 HN SER 120 -6.303 -7.904 -0.031 945 HA SER 120 HA SER 120 -4.071 -6.303 1.043 946 HB2 SER 120 2HB SER 120 -6.221 -5.034 0.600 947 HB3 SER 120 1HB SER 120 -6.989 -6.052 1.813 948 HG SER 120 HG SER 120 -4.794 -4.298 2.214 949 H PHE 121 HN PHE 121 -3.158 -7.092 2.844 950 HA PHE 121 HA PHE 121 -4.673 -9.121 4.350 951 HB2 PHE 121 2HB PHE 121 -1.717 -9.126 3.717 952 HB3 PHE 121 1HB PHE 121 -2.513 -10.262 4.800 953 HD1 PHE 121 2HD PHE 121 -4.177 -11.862 3.899 954 HD2 PHE 121 1HD PHE 121 -1.802 -9.397 1.367 955 HE1 PHE 121 2HE PHE 121 -4.706 -13.319 1.988 956 HE2 PHE 121 1HE PHE 121 -2.327 -10.851 -0.544 957 HZ PHE 121 HZ PHE 121 -3.780 -12.817 -0.235 958 H LEU 122 HN LEU 122 -4.859 -8.798 6.450 959 HA LEU 122 HA LEU 122 -3.176 -6.742 7.704 960 HB2 LEU 122 2HB LEU 122 -5.660 -8.083 8.787 961 HB3 LEU 122 1HB LEU 122 -4.810 -6.731 9.509 962 HG LEU 122 HG LEU 122 -6.255 -6.649 6.859 963 HD11 LEU 122 1HD1 LEU 122 -7.903 -5.277 8.036 964 HD12 LEU 122 2HD1 LEU 122 -7.051 -5.556 9.554 965 HD13 LEU 122 3HD1 LEU 122 -7.812 -6.904 8.706 966 HD21 LEU 122 3HD2 LEU 122 -5.945 -4.205 7.083 967 HD22 LEU 122 1HD2 LEU 122 -4.427 -5.083 6.902 968 HD23 LEU 122 2HD2 LEU 122 -4.919 -4.495 8.488 969 H ILE 123 HN ILE 123 -1.359 -7.627 8.516 970 HA ILE 123 HA ILE 123 -1.409 -10.411 9.340 971 HB ILE 123 HB ILE 123 0.938 -8.506 9.229 972 HG12 ILE 123 2HG1 ILE 123 0.049 -10.664 7.295 973 HG13 ILE 123 1HG1 ILE 123 -0.097 -8.931 7.025 974 HG21 ILE 123 1HG2 ILE 123 2.286 -10.568 9.339 975 HG22 ILE 123 2HG2 ILE 123 0.808 -11.499 9.581 976 HG23 ILE 123 3HG2 ILE 123 1.314 -10.319 10.790 977 HD11 ILE 123 3HD1 ILE 123 1.788 -9.835 5.812 978 HD12 ILE 123 1HD1 ILE 123 2.474 -10.468 7.309 979 HD13 ILE 123 2HD1 ILE 123 2.339 -8.727 7.069 980 H LYS 124 HN LYS 124 -2.093 -10.845 11.262 981 HA LYS 124 HA LYS 124 -1.545 -8.997 13.481 982 HB2 LYS 124 2HB LYS 124 -3.635 -11.181 13.276 983 HB3 LYS 124 1HB LYS 124 -3.481 -10.004 14.574 984 HG2 LYS 124 2HG LYS 124 -4.154 -8.223 13.160 985 HG3 LYS 124 1HG LYS 124 -4.016 -9.232 11.717 986 HD2 LYS 124 2HD LYS 124 -5.857 -10.633 12.522 987 HD3 LYS 124 1HD LYS 124 -5.993 -9.628 13.966 988 HE2 LYS 124 2HE LYS 124 -6.587 -7.712 12.611 989 HE3 LYS 124 1HE LYS 124 -6.358 -8.648 11.134 990 HZ1 LYS 124 3HZ LYS 124 -8.708 -8.424 11.794 991 HZ2 LYS 124 1HZ LYS 124 -8.382 -9.266 13.228 992 HZ3 LYS 124 2HZ LYS 124 -8.211 -10.038 11.730 993 H LYS 125 HN LYS 125 -1.754 -10.518 15.646 994 HA LYS 125 HA LYS 125 0.538 -12.231 15.567 995 HB2 LYS 125 2HB LYS 125 -0.231 -10.802 17.535 996 HB3 LYS 125 1HB LYS 125 -1.465 -12.016 17.810 997 HG2 LYS 125 2HG LYS 125 0.420 -12.397 19.271 998 HG3 LYS 125 1HG LYS 125 0.277 -13.716 18.107 999 HD2 LYS 125 2HD LYS 125 2.054 -12.784 16.763 1000 HD3 LYS 125 1HD LYS 125 2.142 -11.363 17.805 1001 HE2 LYS 125 2HE LYS 125 2.720 -14.196 18.666 1002 HE3 LYS 125 1HE LYS 125 3.940 -12.990 18.258 1003 HZ1 LYS 125 3HZ LYS 125 2.041 -12.948 20.538 1004 HZ2 LYS 125 1HZ LYS 125 2.942 -11.591 20.069 1005 HZ3 LYS 125 2HZ LYS 125 3.734 -12.992 20.592 1006 H ASP 126 HN ASP 126 -2.883 -12.707 16.245 1007 HA ASP 126 HA ASP 126 -3.008 -15.452 16.478 1008 HB2 ASP 126 2HB ASP 126 -5.042 -13.601 15.219 1009 HB3 ASP 126 1HB ASP 126 -5.370 -15.256 15.719 1010 H GLY 127 HN GLY 127 -3.154 -13.525 13.511 1011 HA2 GLY 127 2HA GLY 127 -1.941 -15.432 11.871 1012 HA3 GLY 127 1HA GLY 127 -3.680 -15.656 11.739 1013 H VAL 128 HN VAL 128 -3.559 -15.035 9.513 1014 HA VAL 128 HA VAL 128 -3.121 -12.148 9.157 1015 HB VAL 128 HB VAL 128 -1.515 -13.456 7.863 1016 HG11 VAL 128 1HG1 VAL 128 -2.774 -15.514 7.580 1017 HG12 VAL 128 2HG1 VAL 128 -2.237 -14.900 6.016 1018 HG13 VAL 128 3HG1 VAL 128 -3.915 -14.690 6.517 1019 HG21 VAL 128 3HG2 VAL 128 -2.268 -11.342 6.938 1020 HG22 VAL 128 1HG2 VAL 128 -3.607 -12.154 6.125 1021 HG23 VAL 128 2HG2 VAL 128 -1.943 -12.501 5.650 1022 H ASP 129 HN ASP 129 -4.743 -10.938 8.452 1023 HA ASP 129 HA ASP 129 -7.332 -12.226 7.973 1024 HB2 ASP 129 2HB ASP 129 -6.887 -10.262 9.623 1025 HB3 ASP 129 1HB ASP 129 -6.873 -9.261 8.179 1026 H GLU 130 HN GLU 130 -8.333 -12.155 6.022 1027 HA GLU 130 HA GLU 130 -6.748 -11.028 3.828 1028 HB2 GLU 130 2HB GLU 130 -7.182 -13.479 3.823 1029 HB3 GLU 130 1HB GLU 130 -8.904 -13.145 3.696 1030 HG2 GLU 130 2HG GLU 130 -8.634 -12.186 1.531 1031 HG3 GLU 130 1HG GLU 130 -6.877 -12.210 1.684 1032 H GLU 131 HN GLU 131 -7.442 -9.322 2.785 1033 HA GLU 131 HA GLU 131 -10.318 -8.696 2.757 1034 HB2 GLU 131 2HB GLU 131 -9.119 -7.263 4.391 1035 HB3 GLU 131 1HB GLU 131 -8.043 -6.729 3.110 1036 HG2 GLU 131 2HG GLU 131 -9.735 -5.058 3.564 1037 HG3 GLU 131 1HG GLU 131 -9.935 -5.715 1.940 1038 H GLU 132 HN GLU 132 -11.015 -7.494 0.871 1039 HA GLU 132 HA GLU 132 -9.214 -7.889 -1.406 1040 HB2 GLU 132 2HB GLU 132 -12.218 -7.736 -1.238 1041 HB3 GLU 132 1HB GLU 132 -11.326 -7.761 -2.744 1042 HG2 GLU 132 2HG GLU 132 -10.283 -9.927 -1.884 1043 HG3 GLU 132 1HG GLU 132 -11.581 -9.913 -0.692 1044 H ILE 133 HN ILE 133 -9.587 -6.317 -3.232 1045 HA ILE 133 HA ILE 133 -9.440 -3.617 -2.088 1046 HB ILE 133 HB ILE 133 -8.396 -4.647 -4.731 1047 HG12 ILE 133 2HG1 ILE 133 -7.170 -5.575 -2.820 1048 HG13 ILE 133 1HG1 ILE 133 -6.172 -4.435 -3.715 1049 HG21 ILE 133 1HG2 ILE 133 -7.206 -2.496 -4.853 1050 HG22 ILE 133 2HG2 ILE 133 -8.049 -1.967 -3.397 1051 HG23 ILE 133 3HG2 ILE 133 -8.959 -2.303 -4.869 1052 HD11 ILE 133 3HD1 ILE 133 -6.637 -2.723 -2.024 1053 HD12 ILE 133 1HD1 ILE 133 -5.872 -4.155 -1.335 1054 HD13 ILE 133 2HD1 ILE 133 -7.603 -3.894 -1.127 1055 H ILE 134 HN ILE 134 -11.055 -2.280 -2.444 1056 HA ILE 134 HA ILE 134 -12.843 -2.759 -4.720 1057 HB ILE 134 HB ILE 134 -13.232 -1.268 -2.127 1058 HG12 ILE 134 2HG1 ILE 134 -15.308 -2.667 -2.040 1059 HG13 ILE 134 1HG1 ILE 134 -14.772 -3.471 -3.509 1060 HG21 ILE 134 1HG2 ILE 134 -14.063 0.223 -3.834 1061 HG22 ILE 134 2HG2 ILE 134 -15.414 -0.489 -2.949 1062 HG23 ILE 134 3HG2 ILE 134 -14.998 -1.084 -4.557 1063 HD11 ILE 134 3HD1 ILE 134 -12.789 -4.264 -2.341 1064 HD12 ILE 134 1HD1 ILE 134 -14.276 -4.800 -1.559 1065 HD13 ILE 134 2HD1 ILE 134 -13.345 -3.470 -0.865 1066 H LEU 135 HN LEU 135 -13.113 -1.254 -6.310 1067 HA LEU 135 HA LEU 135 -11.085 0.868 -6.367 1068 HB2 LEU 135 2HB LEU 135 -12.604 -0.489 -8.597 1069 HB3 LEU 135 1HB LEU 135 -11.465 0.823 -8.825 1070 HG LEU 135 HG LEU 135 -10.766 -1.876 -7.672 1071 HD11 LEU 135 1HD1 LEU 135 -11.364 -2.051 -10.024 1072 HD12 LEU 135 2HD1 LEU 135 -9.629 -2.266 -9.797 1073 HD13 LEU 135 3HD1 LEU 135 -10.252 -0.736 -10.412 1074 HD21 LEU 135 3HD2 LEU 135 -9.035 0.444 -8.512 1075 HD22 LEU 135 1HD2 LEU 135 -8.455 -1.133 -7.979 1076 HD23 LEU 135 2HD2 LEU 135 -9.327 -0.088 -6.857 1077 H LYS 136 HN LYS 136 -11.574 2.942 -6.993 1078 HA LYS 136 HA LYS 136 -14.396 3.604 -7.435 1079 HB2 LYS 136 2HB LYS 136 -13.507 4.148 -5.076 1080 HB3 LYS 136 1HB LYS 136 -12.564 5.400 -5.853 1081 HG2 LYS 136 2HG LYS 136 -14.566 6.486 -6.628 1082 HG3 LYS 136 1HG LYS 136 -15.560 5.167 -6.004 1083 HD2 LYS 136 2HD LYS 136 -14.833 5.699 -3.728 1084 HD3 LYS 136 1HD LYS 136 -13.836 7.015 -4.351 1085 HE2 LYS 136 2HE LYS 136 -16.836 6.807 -4.591 1086 HE3 LYS 136 1HE LYS 136 -15.963 7.833 -3.453 1087 HZ1 LYS 136 3HZ LYS 136 -15.043 9.073 -5.281 1088 HZ2 LYS 136 1HZ LYS 136 -16.733 9.032 -5.434 1089 HZ3 LYS 136 2HZ LYS 136 -15.769 8.039 -6.412 1090 H GLU 137 HN GLU 137 -14.748 5.336 -8.847 1091 HA GLU 137 HA GLU 137 -12.694 5.659 -10.810 1092 HB2 GLU 137 2HB GLU 137 -15.532 6.548 -10.550 1093 HB3 GLU 137 1HB GLU 137 -14.507 7.264 -11.780 1094 HG2 GLU 137 2HG GLU 137 -15.798 5.452 -12.710 1095 HG3 GLU 137 1HG GLU 137 -14.085 5.042 -12.717 1096 H GLU 138 HN GLU 138 -13.820 7.467 -8.148 1097 HA GLU 138 HA GLU 138 -11.918 9.595 -8.788 1098 HB2 GLU 138 2HB GLU 138 -14.290 10.232 -9.530 1099 HB3 GLU 138 1HB GLU 138 -14.696 10.277 -7.820 1100 HG2 GLU 138 2HG GLU 138 -13.041 12.015 -7.450 1101 HG3 GLU 138 1HG GLU 138 -12.569 11.944 -9.146 1102 H LEU 139 HN LEU 139 -11.629 11.053 -6.812 1103 HA LEU 139 HA LEU 139 -10.866 9.351 -4.679 1104 HB2 LEU 139 2HB LEU 139 -10.962 12.364 -4.804 1105 HB3 LEU 139 1HB LEU 139 -10.134 11.427 -3.577 1106 HG LEU 139 HG LEU 139 -9.437 11.476 -6.516 1107 HD11 LEU 139 1HD1 LEU 139 -7.431 12.657 -5.803 1108 HD12 LEU 139 2HD1 LEU 139 -8.009 12.655 -4.137 1109 HD13 LEU 139 3HD1 LEU 139 -8.884 13.562 -5.372 1110 HD21 LEU 139 3HD2 LEU 139 -8.063 10.117 -4.200 1111 HD22 LEU 139 1HD2 LEU 139 -7.474 10.185 -5.860 1112 HD23 LEU 139 2HD2 LEU 139 -8.960 9.313 -5.488 1113 H GLU 140 HN GLU 140 -11.340 10.143 -2.345 1114 HA GLU 140 HA GLU 140 -14.185 9.996 -1.892 1115 HB2 GLU 140 2HB GLU 140 -12.016 9.124 -0.493 1116 HB3 GLU 140 1HB GLU 140 -12.341 10.631 0.349 1117 HG2 GLU 140 2HG GLU 140 -14.429 8.515 -0.090 1118 HG3 GLU 140 1HG GLU 140 -13.381 8.560 1.325 1119 H HIS 141 HN HIS 141 -15.124 11.650 -0.249 1120 HA HIS 141 HA HIS 141 -15.702 13.789 0.296 1121 HB2 HIS 141 2HB HIS 141 -12.911 14.499 -0.638 1122 HB3 HIS 141 1HB HIS 141 -14.006 15.600 0.184 1123 HD1 HIS 141 1HD HIS 141 -11.347 13.209 0.806 1124 HD2 HIS 141 2HD HIS 141 -14.620 14.691 2.918 1125 HE1 HIS 141 1HE HIS 141 -10.878 12.720 3.227 1126 HE2 HIS 141 2HE HIS 141 -12.798 13.755 4.496 1127 H HIS 142 HN HIS 142 -15.615 12.609 -2.590 1128 HA HIS 142 HA HIS 142 -16.583 15.009 -3.890 1129 HB2 HIS 142 2HB HIS 142 -14.009 13.729 -4.557 1130 HB3 HIS 142 1HB HIS 142 -15.046 14.107 -5.932 1131 HD1 HIS 142 1HD HIS 142 -12.494 15.592 -3.897 1132 HD2 HIS 142 2HD HIS 142 -15.964 16.949 -5.752 1133 HE1 HIS 142 1HE HIS 142 -12.268 18.097 -4.031 1134 HE2 HIS 142 2HE HIS 142 -14.437 18.904 -5.054 1135 H HIS 143 HN HIS 143 -16.607 13.976 -6.513 1136 HA HIS 143 HA HIS 143 -18.044 11.572 -6.703 1137 HB2 HIS 143 2HB HIS 143 -20.346 12.454 -6.973 1138 HB3 HIS 143 1HB HIS 143 -19.748 12.683 -5.334 1139 HD1 HIS 143 1HD HIS 143 -21.363 14.459 -8.038 1140 HD2 HIS 143 2HD HIS 143 -18.810 15.468 -4.911 1141 HE1 HIS 143 1HE HIS 143 -21.537 16.958 -7.794 1142 HE2 HIS 143 2HE HIS 143 -19.824 17.558 -6.043 1143 H HIS 144 HN HIS 144 -17.742 14.886 -7.822 1144 HA HIS 144 HA HIS 144 -16.623 14.339 -10.287 1145 HB2 HIS 144 2HB HIS 144 -18.883 13.390 -10.845 1146 HB3 HIS 144 1HB HIS 144 -19.578 14.978 -10.541 1147 HD1 HIS 144 1HD HIS 144 -19.616 16.586 -12.459 1148 HD2 HIS 144 2HD HIS 144 -17.034 13.383 -13.101 1149 HE1 HIS 144 1HE HIS 144 -18.824 16.812 -14.837 1150 HE2 HIS 144 2HE HIS 144 -17.416 14.759 -15.254 1151 H HIS 145 HN HIS 145 -15.647 16.191 -10.860 1152 HA HIS 145 HA HIS 145 -15.139 18.401 -11.065 1153 HB2 HIS 145 2HB HIS 145 -17.445 18.697 -11.893 1154 HB3 HIS 145 1HB HIS 145 -18.018 18.883 -10.241 1155 HD1 HIS 145 1HD HIS 145 -15.883 20.660 -12.816 1156 HD2 HIS 145 2HD HIS 145 -17.901 21.447 -9.265 1157 HE1 HIS 145 1HE HIS 145 -15.787 23.155 -12.516 1158 HE2 HIS 145 2HE HIS 145 -17.235 23.615 -10.506 1159 H HIS 146 HN HIS 146 -14.488 20.202 -9.746 1160 HA HIS 146 HA HIS 146 -13.768 19.635 -7.135 1161 HB2 HIS 146 2HB HIS 146 -13.937 22.135 -8.736 1162 HB3 HIS 146 1HB HIS 146 -13.772 22.302 -6.993 1163 HD1 HIS 146 1HD HIS 146 -11.862 21.551 -10.051 1164 HD2 HIS 146 2HD HIS 146 -11.344 21.204 -5.935 1165 HE1 HIS 146 1HE HIS 146 -9.403 21.141 -9.705 1166 HE2 HIS 146 2HE HIS 146 -9.090 21.121 -7.206
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