NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636130 | 6g7g | 27439 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 22.864 5.406 -2.112 2 H2 ALA 1 HT2 ALA 1 23.428 6.096 -0.680 3 H3 ALA 1 HT3 ALA 1 21.980 6.634 -1.359 4 HA ALA 1 HA ALA 1 21.562 5.216 0.535 5 HB1 ALA 1 HB1 ALA 1 20.814 3.940 -2.095 6 HB2 ALA 1 HB2 ALA 1 19.947 5.253 -1.303 7 HB3 ALA 1 HB3 ALA 1 20.020 3.663 -0.547 8 H MET 2 HN MET 2 23.334 4.311 1.579 9 HA MET 2 HA MET 2 24.241 1.729 0.487 10 HB2 MET 2 HB2 MET 2 25.666 3.677 2.295 11 HB3 MET 2 HB1 MET 2 26.232 2.039 2.019 12 HG2 MET 2 HG2 MET 2 25.739 3.834 -0.309 13 HG3 MET 2 HG1 MET 2 27.197 4.039 0.655 14 HE1 MET 2 HE1 MET 2 25.320 0.578 -0.522 15 HE2 MET 2 HE2 MET 2 26.184 0.449 -2.053 16 HE3 MET 2 HE3 MET 2 25.157 1.846 -1.737 17 H GLY 3 HN GLY 3 23.819 3.355 3.641 18 HA2 GLY 3 HA2 GLY 3 23.368 0.858 4.991 19 HA3 GLY 3 HA1 GLY 3 23.159 2.466 5.674 20 H CYS 4 HN CYS 4 21.332 3.644 4.253 21 HA CYS 4 HA CYS 4 19.185 3.841 3.582 22 HB2 CYS 4 HB2 CYS 4 19.948 1.698 2.248 23 HB3 CYS 4 HB1 CYS 4 18.828 0.885 3.339 24 H LYS 5 HN LYS 5 16.905 2.682 4.014 25 HA LYS 5 HA LYS 5 16.679 2.225 6.894 26 HB2 LYS 5 HB2 LYS 5 16.156 4.562 6.318 27 HB3 LYS 5 HB1 LYS 5 14.946 3.930 5.238 28 HG2 LYS 5 HG2 LYS 5 13.818 2.870 7.185 29 HG3 LYS 5 HG1 LYS 5 14.946 3.747 8.218 30 HD2 LYS 5 HD2 LYS 5 14.133 5.868 7.321 31 HD3 LYS 5 HD1 LYS 5 13.031 5.001 6.251 32 HE2 LYS 5 HE2 LYS 5 12.977 4.916 9.264 33 HE3 LYS 5 HE1 LYS 5 11.902 5.875 8.252 34 HZ1 LYS 5 HZ1 LYS 5 10.934 3.911 7.357 35 HZ2 LYS 5 HZ2 LYS 5 10.958 3.728 9.042 36 HZ3 LYS 5 HZ3 LYS 5 12.096 2.919 8.089 37 H GLU 6 HN GLU 6 15.150 0.651 7.473 38 HA GLU 6 HA GLU 6 13.851 -0.946 5.611 39 HB2 GLU 6 HB2 GLU 6 12.893 -0.253 8.395 40 HB3 GLU 6 HB1 GLU 6 12.392 -1.644 7.443 41 HG2 GLU 6 HG2 GLU 6 14.788 -2.379 7.453 42 HG3 GLU 6 HG1 GLU 6 15.093 -1.105 8.631 43 H ILE 7 HN ILE 7 12.272 -0.483 4.235 44 HA ILE 7 HA ILE 7 11.009 2.121 4.355 45 HB ILE 7 HB ILE 7 10.775 -0.046 2.275 46 HG12 ILE 7 HG12 ILE 7 12.971 0.722 2.231 47 HG13 ILE 7 HG11 ILE 7 12.157 1.552 0.923 48 HG21 ILE 7 HG21 ILE 7 10.002 2.829 2.034 49 HG22 ILE 7 HG22 ILE 7 8.853 1.513 2.317 50 HG23 ILE 7 HG23 ILE 7 9.801 1.563 0.829 51 HD11 ILE 7 HD11 ILE 7 12.974 2.610 3.584 52 HD12 ILE 7 HD12 ILE 7 11.780 3.411 2.570 53 HD13 ILE 7 HD13 ILE 7 13.430 3.182 1.975 54 H GLU 8 HN GLU 8 9.082 2.471 5.219 55 HA GLU 8 HA GLU 8 7.333 0.132 5.527 56 HB2 GLU 8 HB2 GLU 8 6.283 2.211 7.114 57 HB3 GLU 8 HB1 GLU 8 6.991 0.689 7.631 58 HG2 GLU 8 HG2 GLU 8 8.070 2.414 8.812 59 HG3 GLU 8 HG1 GLU 8 9.216 1.808 7.618 60 H ILE 9 HN ILE 9 5.490 0.051 4.573 61 HA ILE 9 HA ILE 9 4.753 2.278 2.895 62 HB ILE 9 HB ILE 9 3.328 0.478 1.776 63 HG12 ILE 9 HG12 ILE 9 4.400 -1.140 3.810 64 HG13 ILE 9 HG11 ILE 9 3.457 -1.649 2.415 65 HG21 ILE 9 HG21 ILE 9 5.014 0.147 0.241 66 HG22 ILE 9 HG22 ILE 9 6.240 0.080 1.507 67 HG23 ILE 9 HG23 ILE 9 5.507 1.623 1.080 68 HD11 ILE 9 HD11 ILE 9 5.497 -1.808 1.121 69 HD12 ILE 9 HD12 ILE 9 5.522 -2.869 2.534 70 HD13 ILE 9 HD13 ILE 9 6.425 -1.346 2.542 71 H VAL 10 HN VAL 10 2.928 3.358 3.151 72 HA VAL 10 HA VAL 10 1.173 2.547 5.337 73 HB VAL 10 HB VAL 10 1.379 4.711 5.853 74 HG11 VAL 10 HG11 VAL 10 2.146 6.472 4.317 75 HG12 VAL 10 HG12 VAL 10 2.128 5.304 2.999 76 HG13 VAL 10 HG13 VAL 10 3.229 5.081 4.356 77 HG21 VAL 10 HG21 VAL 10 -0.422 5.116 3.461 78 HG22 VAL 10 HG22 VAL 10 -0.238 6.224 4.821 79 HG23 VAL 10 HG23 VAL 10 -0.939 4.623 5.075 80 H ILE 11 HN ILE 11 -0.592 1.503 4.935 81 HA ILE 11 HA ILE 11 -1.969 1.939 2.405 82 HB ILE 11 HB ILE 11 -2.402 -0.228 4.462 83 HG12 ILE 11 HG12 ILE 11 -0.274 -0.526 3.368 84 HG13 ILE 11 HG11 ILE 11 -1.420 -1.717 2.748 85 HG21 ILE 11 HG21 ILE 11 -3.408 -0.708 1.785 86 HG22 ILE 11 HG22 ILE 11 -4.151 0.703 2.560 87 HG23 ILE 11 HG23 ILE 11 -4.222 -0.876 3.351 88 HD11 ILE 11 HD11 ILE 11 -0.059 -0.669 0.996 89 HD12 ILE 11 HD12 ILE 11 -0.780 0.886 1.431 90 HD13 ILE 11 HD13 ILE 11 -1.793 -0.408 0.796 91 H LYS 12 HN LYS 12 -3.137 3.664 2.633 92 HA LYS 12 HA LYS 12 -4.374 4.305 5.211 93 HB2 LYS 12 HB2 LYS 12 -3.486 5.839 2.916 94 HB3 LYS 12 HB1 LYS 12 -5.165 6.250 3.351 95 HG2 LYS 12 HG2 LYS 12 -4.304 6.596 5.699 96 HG3 LYS 12 HG1 LYS 12 -2.680 6.457 5.017 97 HD2 LYS 12 HD2 LYS 12 -3.114 8.330 3.530 98 HD3 LYS 12 HD1 LYS 12 -4.765 8.451 4.136 99 HE2 LYS 12 HE2 LYS 12 -3.517 10.146 5.221 100 HE3 LYS 12 HE1 LYS 12 -3.781 8.876 6.411 101 HZ1 LYS 12 HZ1 LYS 12 -1.496 9.798 6.377 102 HZ2 LYS 12 HZ2 LYS 12 -1.286 9.153 4.821 103 HZ3 LYS 12 HZ3 LYS 12 -1.557 8.126 6.138 104 H ASN 13 HN ASN 13 -6.638 4.748 5.337 105 HA ASN 13 HA ASN 13 -8.282 3.742 3.193 106 HB2 ASN 13 HB2 ASN 13 -9.287 2.179 4.987 107 HB3 ASN 13 HB1 ASN 13 -7.832 1.685 4.138 108 HD21 ASN 13 HD21 ASN 13 -5.909 1.559 5.270 109 HD22 ASN 13 HD22 ASN 13 -5.822 1.685 6.990 110 H THR 14 HN THR 14 -10.155 4.915 3.123 111 HA THR 14 HA THR 14 -11.495 5.960 5.307 112 HB THR 14 HB THR 14 -9.615 7.205 5.948 113 HG1 THR 14 HG1 THR 14 -10.461 9.230 5.920 114 HG21 THR 14 HG21 THR 14 -9.521 8.141 3.110 115 HG22 THR 14 HG22 THR 14 -8.428 6.960 3.863 116 HG23 THR 14 HG23 THR 14 -8.422 8.640 4.406 117 H LEU 15 HN LEU 15 -13.125 5.282 3.630 118 HA LEU 15 HA LEU 15 -13.690 7.365 1.808 119 HB2 LEU 15 HB2 LEU 15 -15.176 4.890 2.594 120 HB3 LEU 15 HB1 LEU 15 -15.876 6.092 1.569 121 HG LEU 15 HG LEU 15 -14.171 5.761 -0.056 122 HD11 LEU 15 HD11 LEU 15 -13.040 3.897 1.877 123 HD12 LEU 15 HD12 LEU 15 -12.395 5.432 1.268 124 HD13 LEU 15 HD13 LEU 15 -12.530 4.036 0.185 125 HD21 LEU 15 HD21 LEU 15 -15.323 3.141 0.860 126 HD22 LEU 15 HD22 LEU 15 -14.676 3.463 -0.750 127 HD23 LEU 15 HD23 LEU 15 -16.129 4.296 -0.199 128 H GLY 16 HN GLY 16 -14.322 6.444 4.986 129 HA2 GLY 16 HA2 GLY 16 -15.432 8.116 6.475 130 HA3 GLY 16 HA1 GLY 16 -16.712 8.142 5.254 131 HA PRO 17 HA PRO 17 -17.875 5.247 8.642 132 HB2 PRO 17 HB2 PRO 17 -20.560 5.204 7.877 133 HB3 PRO 17 HB1 PRO 17 -19.851 6.266 9.096 134 HG2 PRO 17 HG2 PRO 17 -20.489 6.820 6.236 135 HG3 PRO 17 HG1 PRO 17 -20.623 7.888 7.646 136 HD2 PRO 17 HD2 PRO 17 -18.612 8.123 5.886 137 HD3 PRO 17 HD1 PRO 17 -18.365 8.407 7.620 138 H SER 18 HN SER 18 -17.686 3.154 8.479 139 HA SER 18 HA SER 18 -17.803 1.003 7.817 140 HB2 SER 18 HB2 SER 18 -19.878 1.933 5.823 141 HB3 SER 18 HB1 SER 18 -19.613 0.279 6.379 142 HG SER 18 HG SER 18 -21.046 2.263 7.523 143 H ARG 19 HN ARG 19 -16.023 3.027 6.350 144 HA ARG 19 HA ARG 19 -15.537 1.562 3.926 145 HB2 ARG 19 HB2 ARG 19 -14.713 3.649 3.642 146 HB3 ARG 19 HB1 ARG 19 -14.133 3.848 5.248 147 HG2 ARG 19 HG2 ARG 19 -12.828 2.191 3.116 148 HG3 ARG 19 HG1 ARG 19 -12.434 3.885 3.461 149 HD2 ARG 19 HD2 ARG 19 -11.039 3.254 5.048 150 HD3 ARG 19 HD1 ARG 19 -12.335 2.408 5.891 151 HE ARG 19 HE ARG 19 -11.287 0.884 3.715 152 HH11 ARG 19 HH11 ARG 19 -10.733 1.862 6.996 153 HH12 ARG 19 HH12 ARG 19 -9.788 0.476 7.407 154 HH21 ARG 19 HH21 ARG 19 -9.977 -0.969 4.232 155 HH22 ARG 19 HH22 ARG 19 -9.359 -1.133 5.840 156 H ILE 20 HN ILE 20 -14.724 -0.247 3.812 157 HA ILE 20 HA ILE 20 -12.720 -1.183 5.728 158 HB ILE 20 HB ILE 20 -14.860 -3.147 5.039 159 HG12 ILE 20 HG12 ILE 20 -15.740 -0.947 6.149 160 HG13 ILE 20 HG11 ILE 20 -16.357 -2.512 6.647 161 HG21 ILE 20 HG21 ILE 20 -13.153 -2.822 7.466 162 HG22 ILE 20 HG22 ILE 20 -12.679 -3.806 6.072 163 HG23 ILE 20 HG23 ILE 20 -14.110 -4.232 7.035 164 HD11 ILE 20 HD11 ILE 20 -14.226 -0.906 7.994 165 HD12 ILE 20 HD12 ILE 20 -14.833 -2.470 8.525 166 HD13 ILE 20 HD13 ILE 20 -15.900 -1.059 8.523 167 H LEU 21 HN LEU 21 -11.163 -2.139 4.685 168 HA LEU 21 HA LEU 21 -11.740 -3.850 2.447 169 HB2 LEU 21 HB2 LEU 21 -9.714 -2.592 1.179 170 HB3 LEU 21 HB1 LEU 21 -11.425 -2.240 0.902 171 HG LEU 21 HG LEU 21 -10.905 -0.520 2.909 172 HD11 LEU 21 HD11 LEU 21 -8.553 -1.118 3.040 173 HD12 LEU 21 HD12 LEU 21 -8.750 0.544 2.486 174 HD13 LEU 21 HD13 LEU 21 -8.346 -0.727 1.333 175 HD21 LEU 21 HD21 LEU 21 -10.858 1.184 1.217 176 HD22 LEU 21 HD22 LEU 21 -11.967 -0.092 0.720 177 HD23 LEU 21 HD23 LEU 21 -10.361 0.015 -0.004 178 H GLN 22 HN GLN 22 -10.332 -5.424 2.208 179 HA GLN 22 HA GLN 22 -8.406 -5.699 4.372 180 HB2 GLN 22 HB2 GLN 22 -10.301 -7.265 4.259 181 HB3 GLN 22 HB1 GLN 22 -9.836 -7.709 2.628 182 HG2 GLN 22 HG2 GLN 22 -7.833 -8.684 3.403 183 HG3 GLN 22 HG1 GLN 22 -8.125 -8.132 5.051 184 HE21 GLN 22 HE21 GLN 22 -9.049 -10.399 2.584 185 HE22 GLN 22 HE22 GLN 22 -9.988 -11.436 3.596 186 H TYR 23 HN TYR 23 -6.376 -5.278 3.746 187 HA TYR 23 HA TYR 23 -5.729 -5.624 0.930 188 HB2 TYR 23 HB2 TYR 23 -3.847 -4.157 1.269 189 HB3 TYR 23 HB1 TYR 23 -5.294 -3.397 1.911 190 HD1 TYR 23 HD1 TYR 23 -5.702 -3.828 4.485 191 HD2 TYR 23 HD2 TYR 23 -1.951 -4.179 2.534 192 HE1 TYR 23 HE1 TYR 23 -4.561 -3.546 6.648 193 HE2 TYR 23 HE2 TYR 23 -0.783 -3.903 4.680 194 HH TYR 23 HH TYR 23 -1.223 -2.941 6.901 195 H HIS 24 HN HIS 24 -4.703 -7.318 0.310 196 HA HIS 24 HA HIS 24 -3.045 -8.820 2.185 197 HB2 HIS 24 HB2 HIS 24 -4.543 -10.091 0.700 198 HB3 HIS 24 HB1 HIS 24 -3.751 -9.389 -0.706 199 HD1 HIS 24 HD1 HIS 24 -1.552 -10.337 2.099 200 HD2 HIS 24 HD2 HIS 24 -2.951 -12.050 -1.430 201 HE1 HIS 24 HE1 HIS 24 -0.090 -12.353 1.683 202 HE2 HIS 24 HE2 HIS 24 -1.045 -13.444 -0.376 203 H CYS 25 HN CYS 25 -1.090 -7.846 2.451 204 HA CYS 25 HA CYS 25 0.249 -7.139 -0.039 205 HB2 CYS 25 HB2 CYS 25 -0.416 -5.253 1.642 206 HB3 CYS 25 HB1 CYS 25 1.007 -5.803 2.521 207 H ARG 26 HN ARG 26 1.520 -8.689 -0.494 208 HA ARG 26 HA ARG 26 3.702 -9.380 1.231 209 HB2 ARG 26 HB2 ARG 26 2.339 -11.009 2.137 210 HB3 ARG 26 HB1 ARG 26 1.490 -11.314 0.632 211 HG2 ARG 26 HG2 ARG 26 4.298 -11.959 0.421 212 HG3 ARG 26 HG1 ARG 26 3.538 -12.814 1.761 213 HD2 ARG 26 HD2 ARG 26 3.390 -14.162 -0.220 214 HD3 ARG 26 HD1 ARG 26 1.780 -13.600 0.217 215 HE ARG 26 HE ARG 26 2.316 -11.792 -1.562 216 HH11 ARG 26 HH11 ARG 26 3.259 -15.158 -1.680 217 HH12 ARG 26 HH12 ARG 26 3.286 -15.222 -3.413 218 HH21 ARG 26 HH21 ARG 26 2.335 -11.867 -3.841 219 HH22 ARG 26 HH22 ARG 26 2.769 -13.342 -4.646 220 H SER 27 HN SER 27 5.426 -9.749 0.040 221 HA SER 27 HA SER 27 5.517 -11.476 -2.112 222 HB2 SER 27 HB2 SER 27 4.369 -9.486 -3.268 223 HB3 SER 27 HB1 SER 27 5.921 -8.666 -3.129 224 HG SER 27 HG SER 27 6.429 -9.657 -4.881 225 H GLY 28 HN GLY 28 7.791 -11.418 -3.147 226 HA2 GLY 28 HA2 GLY 28 10.048 -10.895 -3.137 227 HA3 GLY 28 HA1 GLY 28 9.695 -9.567 -2.028 228 H ASN 29 HN ASN 29 9.124 -13.050 -1.764 229 HA ASN 29 HA ASN 29 9.755 -14.636 -0.279 230 HB2 ASN 29 HB2 ASN 29 12.284 -12.980 -0.112 231 HB3 ASN 29 HB1 ASN 29 12.106 -14.624 0.491 232 HD21 ASN 29 HD21 ASN 29 12.638 -12.635 -2.246 233 HD22 ASN 29 HD22 ASN 29 12.826 -13.904 -3.406 234 H THR 30 HN THR 30 8.235 -12.417 0.737 235 HA THR 30 HA THR 30 8.841 -12.771 3.563 236 HB THR 30 HB THR 30 8.261 -10.005 2.557 237 HG1 THR 30 HG1 THR 30 10.250 -10.718 1.617 238 HG21 THR 30 HG21 THR 30 9.235 -9.353 4.710 239 HG22 THR 30 HG22 THR 30 9.538 -11.050 5.085 240 HG23 THR 30 HG23 THR 30 7.882 -10.463 4.934 241 H ASN 31 HN ASN 31 7.005 -12.824 4.834 242 HA ASN 31 HA ASN 31 4.457 -12.518 3.383 243 HB2 ASN 31 HB2 ASN 31 5.187 -14.537 5.514 244 HB3 ASN 31 HB1 ASN 31 3.575 -14.337 4.839 245 HD21 ASN 31 HD21 ASN 31 5.380 -16.637 4.825 246 HD22 ASN 31 HD22 ASN 31 5.595 -17.063 3.164 247 H VAL 32 HN VAL 32 2.700 -11.632 4.458 248 HA VAL 32 HA VAL 32 3.246 -10.515 7.128 249 HB VAL 32 HB VAL 32 1.945 -9.061 4.821 250 HG11 VAL 32 HG11 VAL 32 1.657 -7.184 6.377 251 HG12 VAL 32 HG12 VAL 32 2.241 -8.195 7.699 252 HG13 VAL 32 HG13 VAL 32 0.727 -8.594 6.886 253 HG21 VAL 32 HG21 VAL 32 4.391 -9.086 4.795 254 HG22 VAL 32 HG22 VAL 32 4.413 -8.445 6.437 255 HG23 VAL 32 HG23 VAL 32 3.762 -7.470 5.120 256 H GLY 33 HN GLY 33 0.547 -10.940 4.784 257 HA2 GLY 33 HA2 GLY 33 -1.151 -12.552 5.882 258 HA3 GLY 33 HA1 GLY 33 -1.237 -11.249 7.063 259 H VAL 34 HN VAL 34 -3.492 -11.247 6.395 260 HA VAL 34 HA VAL 34 -3.925 -9.473 4.106 261 HB VAL 34 HB VAL 34 -5.578 -11.962 4.559 262 HG11 VAL 34 HG11 VAL 34 -5.591 -9.769 2.509 263 HG12 VAL 34 HG12 VAL 34 -6.911 -10.328 3.538 264 HG13 VAL 34 HG13 VAL 34 -6.342 -11.339 2.209 265 HG21 VAL 34 HG21 VAL 34 -4.469 -12.972 2.714 266 HG22 VAL 34 HG22 VAL 34 -3.201 -12.370 3.795 267 HG23 VAL 34 HG23 VAL 34 -3.615 -11.477 2.335 268 H GLN 35 HN GLN 35 -4.528 -7.794 5.583 269 HA GLN 35 HA GLN 35 -6.584 -8.420 7.579 270 HB2 GLN 35 HB2 GLN 35 -4.262 -6.597 7.523 271 HB3 GLN 35 HB1 GLN 35 -5.666 -6.126 8.474 272 HG2 GLN 35 HG2 GLN 35 -4.195 -7.253 9.884 273 HG3 GLN 35 HG1 GLN 35 -5.551 -8.323 9.601 274 HE21 GLN 35 HE21 GLN 35 -2.183 -7.712 8.998 275 HE22 GLN 35 HE22 GLN 35 -1.781 -9.310 8.474 276 H TYR 36 HN TYR 36 -8.340 -7.132 7.918 277 HA TYR 36 HA TYR 36 -8.838 -4.941 6.029 278 HB2 TYR 36 HB2 TYR 36 -11.188 -5.060 6.561 279 HB3 TYR 36 HB1 TYR 36 -10.614 -6.585 5.926 280 HD1 TYR 36 HD1 TYR 36 -9.775 -8.225 7.761 281 HD2 TYR 36 HD2 TYR 36 -12.519 -5.091 8.378 282 HE1 TYR 36 HE1 TYR 36 -10.668 -9.429 9.732 283 HE2 TYR 36 HE2 TYR 36 -13.442 -6.230 10.341 284 HH TYR 36 HH TYR 36 -11.896 -8.841 11.836 285 H LEU 37 HN LEU 37 -9.931 -3.055 6.900 286 HA LEU 37 HA LEU 37 -9.656 -2.668 9.770 287 HB2 LEU 37 HB2 LEU 37 -7.479 -1.990 8.721 288 HB3 LEU 37 HB1 LEU 37 -8.354 -0.799 7.780 289 HG LEU 37 HG LEU 37 -9.058 0.295 9.909 290 HD11 LEU 37 HD11 LEU 37 -7.819 -0.276 11.957 291 HD12 LEU 37 HD12 LEU 37 -7.138 -1.679 11.134 292 HD13 LEU 37 HD13 LEU 37 -8.875 -1.580 11.418 293 HD21 LEU 37 HD21 LEU 37 -7.194 1.182 8.670 294 HD22 LEU 37 HD22 LEU 37 -6.103 0.015 9.413 295 HD23 LEU 37 HD23 LEU 37 -6.846 1.276 10.397 296 H ASN 38 HN ASN 38 -10.730 -0.688 10.469 297 HA ASN 38 HA ASN 38 -12.970 0.060 8.760 298 HB2 ASN 38 HB2 ASN 38 -12.467 1.096 11.544 299 HB3 ASN 38 HB1 ASN 38 -14.002 0.916 10.707 300 HD21 ASN 38 HD21 ASN 38 -14.982 -1.109 10.624 301 HD22 ASN 38 HD22 ASN 38 -14.502 -2.401 11.665 302 H PHE 39 HN PHE 39 -13.495 2.345 8.491 303 HA PHE 39 HA PHE 39 -11.372 3.961 7.684 304 HB2 PHE 39 HB2 PHE 39 -13.333 4.616 6.717 305 HB3 PHE 39 HB1 PHE 39 -14.257 4.391 8.183 306 HD1 PHE 39 HD1 PHE 39 -11.443 6.617 7.047 307 HD2 PHE 39 HD2 PHE 39 -15.241 6.288 8.963 308 HE1 PHE 39 HE1 PHE 39 -11.456 9.039 7.469 309 HE2 PHE 39 HE2 PHE 39 -15.244 8.708 9.379 310 HZ PHE 39 HZ PHE 39 -13.352 10.089 8.630 311 H LYS 40 HN LYS 40 -9.777 4.315 9.074 312 HA LYS 40 HA LYS 40 -10.389 5.806 11.533 313 HB2 LYS 40 HB2 LYS 40 -8.266 3.693 11.233 314 HB3 LYS 40 HB1 LYS 40 -8.593 4.620 12.684 315 HG2 LYS 40 HG2 LYS 40 -10.567 2.733 11.418 316 HG3 LYS 40 HG1 LYS 40 -9.466 2.285 12.719 317 HD2 LYS 40 HD2 LYS 40 -11.451 4.546 12.912 318 HD3 LYS 40 HD1 LYS 40 -11.788 2.901 13.449 319 HE2 LYS 40 HE2 LYS 40 -9.555 4.654 14.470 320 HE3 LYS 40 HE1 LYS 40 -11.081 4.358 15.298 321 HZ1 LYS 40 HZ1 LYS 40 -10.514 2.009 15.414 322 HZ2 LYS 40 HZ2 LYS 40 -9.332 2.952 16.167 323 HZ3 LYS 40 HZ3 LYS 40 -9.042 2.303 14.634 324 H GLY 41 HN GLY 41 -7.599 4.707 9.631 325 HA2 GLY 41 HA2 GLY 41 -6.850 7.258 8.741 326 HA3 GLY 41 HA1 GLY 41 -5.963 6.892 10.204 327 H THR 42 HN THR 42 -4.226 5.644 10.088 328 HA THR 42 HA THR 42 -3.517 4.571 7.451 329 HB THR 42 HB THR 42 -1.193 4.563 8.775 330 HG1 THR 42 HG1 THR 42 -1.937 5.554 10.650 331 HG21 THR 42 HG21 THR 42 -1.641 5.541 6.588 332 HG22 THR 42 HG22 THR 42 -0.667 6.620 7.591 333 HG23 THR 42 HG23 THR 42 -2.388 6.938 7.367 334 H ARG 43 HN ARG 43 -2.581 2.593 7.245 335 HA ARG 43 HA ARG 43 -2.355 0.876 9.606 336 HB2 ARG 43 HB2 ARG 43 -4.454 0.426 8.204 337 HB3 ARG 43 HB1 ARG 43 -3.349 -0.082 6.946 338 HG2 ARG 43 HG2 ARG 43 -4.145 -2.024 8.060 339 HG3 ARG 43 HG1 ARG 43 -2.452 -1.802 8.489 340 HD2 ARG 43 HD2 ARG 43 -4.490 -0.592 10.271 341 HD3 ARG 43 HD1 ARG 43 -4.336 -2.344 10.292 342 HE ARG 43 HE ARG 43 -1.783 -1.205 10.536 343 HH11 ARG 43 HH11 ARG 43 -4.757 -1.552 12.337 344 HH12 ARG 43 HH12 ARG 43 -3.980 -1.519 13.885 345 HH21 ARG 43 HH21 ARG 43 -0.751 -1.166 12.579 346 HH22 ARG 43 HH22 ARG 43 -1.704 -1.314 14.022 347 H ILE 44 HN ILE 44 -0.184 0.544 9.709 348 HA ILE 44 HA ILE 44 1.228 0.917 7.174 349 HB ILE 44 HB ILE 44 2.253 1.473 9.953 350 HG12 ILE 44 HG12 ILE 44 2.403 3.796 8.703 351 HG13 ILE 44 HG11 ILE 44 1.116 3.105 7.736 352 HG21 ILE 44 HG21 ILE 44 3.557 2.086 7.319 353 HG22 ILE 44 HG22 ILE 44 3.926 0.626 8.243 354 HG23 ILE 44 HG23 ILE 44 4.268 2.220 8.931 355 HD11 ILE 44 HD11 ILE 44 0.408 4.551 9.677 356 HD12 ILE 44 HD12 ILE 44 0.971 3.255 10.730 357 HD13 ILE 44 HD13 ILE 44 -0.337 2.956 9.583 358 H ILE 45 HN ILE 45 2.155 -0.630 6.309 359 HA ILE 45 HA ILE 45 3.016 -2.963 7.788 360 HB ILE 45 HB ILE 45 1.752 -3.860 6.268 361 HG12 ILE 45 HG12 ILE 45 4.167 -3.025 4.788 362 HG13 ILE 45 HG11 ILE 45 3.660 -4.606 5.377 363 HG21 ILE 45 HG21 ILE 45 0.665 -1.756 5.734 364 HG22 ILE 45 HG22 ILE 45 0.922 -2.717 4.278 365 HG23 ILE 45 HG23 ILE 45 1.974 -1.348 4.624 366 HD11 ILE 45 HD11 ILE 45 1.893 -4.663 3.815 367 HD12 ILE 45 HD12 ILE 45 3.405 -4.350 2.943 368 HD13 ILE 45 HD13 ILE 45 2.287 -3.025 3.314 369 H LYS 46 HN LYS 46 5.184 -3.583 7.634 370 HA LYS 46 HA LYS 46 6.914 -1.534 6.450 371 HB2 LYS 46 HB2 LYS 46 6.549 -1.168 8.903 372 HB3 LYS 46 HB1 LYS 46 7.286 -2.729 9.206 373 HG2 LYS 46 HG2 LYS 46 8.816 -0.683 7.672 374 HG3 LYS 46 HG1 LYS 46 8.663 -0.512 9.417 375 HD2 LYS 46 HD2 LYS 46 9.730 -2.961 8.012 376 HD3 LYS 46 HD1 LYS 46 10.727 -1.690 8.719 377 HE2 LYS 46 HE2 LYS 46 9.661 -2.156 10.915 378 HE3 LYS 46 HE1 LYS 46 8.814 -3.511 10.174 379 HZ1 LYS 46 HZ1 LYS 46 11.762 -3.205 10.412 380 HZ2 LYS 46 HZ2 LYS 46 10.975 -4.485 9.632 381 HZ3 LYS 46 HZ3 LYS 46 10.786 -4.273 11.295 382 H PHE 47 HN PHE 47 8.819 -2.170 5.635 383 HA PHE 47 HA PHE 47 9.713 -4.944 5.957 384 HB2 PHE 47 HB2 PHE 47 9.118 -3.589 3.324 385 HB3 PHE 47 HB1 PHE 47 10.181 -4.982 3.454 386 HD1 PHE 47 HD1 PHE 47 6.718 -3.809 3.843 387 HD2 PHE 47 HD2 PHE 47 9.311 -7.176 3.657 388 HE1 PHE 47 HE1 PHE 47 4.785 -5.293 3.591 389 HE2 PHE 47 HE2 PHE 47 7.370 -8.651 3.416 390 HZ PHE 47 HZ PHE 47 5.104 -7.714 3.374 391 H LYS 48 HN LYS 48 11.958 -5.154 4.911 392 HA LYS 48 HA LYS 48 13.325 -2.556 4.913 393 HB2 LYS 48 HB2 LYS 48 15.332 -3.555 5.705 394 HB3 LYS 48 HB1 LYS 48 14.037 -4.079 6.763 395 HG2 LYS 48 HG2 LYS 48 15.039 -5.784 4.500 396 HG3 LYS 48 HG1 LYS 48 15.765 -5.817 6.105 397 HD2 LYS 48 HD2 LYS 48 13.512 -6.390 7.027 398 HD3 LYS 48 HD1 LYS 48 12.927 -6.525 5.367 399 HE2 LYS 48 HE2 LYS 48 14.621 -8.258 4.931 400 HE3 LYS 48 HE1 LYS 48 15.152 -8.143 6.607 401 HZ1 LYS 48 HZ1 LYS 48 13.668 -10.004 6.310 402 HZ2 LYS 48 HZ2 LYS 48 12.463 -8.999 5.682 403 HZ3 LYS 48 HZ3 LYS 48 12.931 -8.848 7.300 404 H ASP 49 HN ASP 49 15.633 -3.076 3.616 405 HA ASP 49 HA ASP 49 14.599 -3.155 0.940 406 HB2 ASP 49 HB2 ASP 49 16.827 -2.524 0.230 407 HB3 ASP 49 HB1 ASP 49 16.310 -1.519 1.576 408 H ASP 50 HN ASP 50 14.273 -5.603 2.069 409 HA ASP 50 HA ASP 50 16.214 -7.351 0.751 410 HB2 ASP 50 HB2 ASP 50 15.851 -7.954 3.027 411 HB3 ASP 50 HB1 ASP 50 14.113 -7.860 2.821 412 H GLY 51 HN GLY 51 12.837 -6.447 0.845 413 HA2 GLY 51 HA2 GLY 51 12.158 -8.266 -1.321 414 HA3 GLY 51 HA1 GLY 51 11.064 -7.157 -0.504 415 H THR 52 HN THR 52 14.090 -6.840 -2.314 416 HA THR 52 HA THR 52 13.292 -4.358 -3.500 417 HB THR 52 HB THR 52 15.400 -4.560 -4.721 418 HG1 THR 52 HG1 THR 52 16.707 -6.429 -3.596 419 HG21 THR 52 HG21 THR 52 15.570 -5.015 -1.749 420 HG22 THR 52 HG22 THR 52 15.351 -3.462 -2.555 421 HG23 THR 52 HG23 THR 52 16.860 -4.352 -2.752 422 H GLU 53 HN GLU 53 14.900 -5.562 -5.928 423 HA GLU 53 HA GLU 53 12.700 -5.649 -7.704 424 HB2 GLU 53 HB2 GLU 53 15.503 -6.657 -8.206 425 HB3 GLU 53 HB1 GLU 53 14.334 -6.132 -9.407 426 HG2 GLU 53 HG2 GLU 53 14.509 -3.861 -8.677 427 HG3 GLU 53 HG1 GLU 53 15.519 -4.331 -7.310 428 H ARG 54 HN ARG 54 13.896 -7.922 -5.581 429 HA ARG 54 HA ARG 54 13.944 -10.325 -6.977 430 HB2 ARG 54 HB2 ARG 54 12.881 -10.049 -4.165 431 HB3 ARG 54 HB1 ARG 54 13.703 -11.431 -4.873 432 HG2 ARG 54 HG2 ARG 54 14.926 -8.759 -4.212 433 HG3 ARG 54 HG1 ARG 54 15.172 -10.276 -3.348 434 HD2 ARG 54 HD2 ARG 54 15.942 -9.761 -6.217 435 HD3 ARG 54 HD1 ARG 54 17.047 -9.706 -4.846 436 HE ARG 54 HE ARG 54 15.832 -12.197 -4.788 437 HH11 ARG 54 HH11 ARG 54 17.902 -10.380 -6.950 438 HH12 ARG 54 HH12 ARG 54 18.669 -11.789 -7.608 439 HH21 ARG 54 HH21 ARG 54 16.841 -14.059 -5.655 440 HH22 ARG 54 HH22 ARG 54 18.065 -13.882 -6.871 441 H SER 55 HN SER 55 11.200 -9.015 -5.105 442 HA SER 55 HA SER 55 9.380 -9.616 -7.246 443 HB2 SER 55 HB2 SER 55 8.907 -11.009 -4.602 444 HB3 SER 55 HB1 SER 55 7.889 -11.092 -6.032 445 HG SER 55 HG SER 55 10.266 -11.824 -6.825 446 H ARG 56 HN ARG 56 10.376 -7.494 -5.173 447 HA ARG 56 HA ARG 56 9.650 -6.086 -3.567 448 HB2 ARG 56 HB2 ARG 56 8.211 -4.448 -4.619 449 HB3 ARG 56 HB1 ARG 56 9.408 -5.021 -5.750 450 HG2 ARG 56 HG2 ARG 56 7.713 -6.502 -6.746 451 HG3 ARG 56 HG1 ARG 56 6.509 -5.824 -5.648 452 HD2 ARG 56 HD2 ARG 56 6.775 -3.646 -6.618 453 HD3 ARG 56 HD1 ARG 56 8.123 -4.206 -7.607 454 HE ARG 56 HE ARG 56 6.215 -5.819 -8.465 455 HH11 ARG 56 HH11 ARG 56 6.034 -2.379 -7.796 456 HH12 ARG 56 HH12 ARG 56 4.875 -2.075 -9.062 457 HH21 ARG 56 HH21 ARG 56 4.685 -5.405 -10.103 458 HH22 ARG 56 HH22 ARG 56 4.118 -3.785 -10.359 459 H TRP 57 HN TRP 57 6.939 -4.950 -3.361 460 HA TRP 57 HA TRP 57 5.457 -7.216 -2.231 461 HB2 TRP 57 HB2 TRP 57 5.501 -4.560 -0.830 462 HB3 TRP 57 HB1 TRP 57 5.075 -6.148 -0.196 463 HD1 TRP 57 HD1 TRP 57 7.364 -7.916 -0.181 464 HE1 TRP 57 HE1 TRP 57 9.733 -7.356 0.634 465 HE3 TRP 57 HE3 TRP 57 7.098 -2.821 -0.346 466 HZ2 TRP 57 HZ2 TRP 57 11.291 -5.058 1.149 467 HZ3 TRP 57 HZ3 TRP 57 9.069 -1.511 0.329 468 HH2 TRP 57 HH2 TRP 57 11.122 -2.609 1.064 469 H ASN 58 HN ASN 58 3.270 -7.174 -2.610 470 HA ASN 58 HA ASN 58 2.184 -4.658 -3.742 471 HB2 ASN 58 HB2 ASN 58 1.597 -7.487 -4.662 472 HB3 ASN 58 HB1 ASN 58 0.717 -6.064 -5.198 473 HD21 ASN 58 HD21 ASN 58 3.139 -4.407 -5.308 474 HD22 ASN 58 HD22 ASN 58 3.991 -4.925 -6.717 475 H CYS 59 HN CYS 59 0.228 -4.009 -2.904 476 HA CYS 59 HA CYS 59 -1.010 -5.825 -0.944 477 HB2 CYS 59 HB2 CYS 59 -1.663 -2.886 -1.003 478 HB3 CYS 59 HB1 CYS 59 -1.706 -4.019 0.339 479 H LEU 60 HN LEU 60 -2.979 -6.612 -1.428 480 HA LEU 60 HA LEU 60 -4.368 -5.389 -3.707 481 HB2 LEU 60 HB2 LEU 60 -4.288 -8.294 -2.853 482 HB3 LEU 60 HB1 LEU 60 -5.347 -7.659 -4.095 483 HG LEU 60 HG LEU 60 -3.179 -6.925 -5.287 484 HD11 LEU 60 HD11 LEU 60 -1.661 -7.292 -3.409 485 HD12 LEU 60 HD12 LEU 60 -1.216 -8.273 -4.806 486 HD13 LEU 60 HD13 LEU 60 -2.046 -9.013 -3.435 487 HD21 LEU 60 HD21 LEU 60 -2.956 -9.124 -6.332 488 HD22 LEU 60 HD22 LEU 60 -4.648 -8.688 -6.092 489 HD23 LEU 60 HD23 LEU 60 -3.873 -9.844 -5.009 490 H PHE 61 HN PHE 61 -6.441 -4.780 -3.310 491 HA PHE 61 HA PHE 61 -7.188 -5.126 -0.511 492 HB2 PHE 61 HB2 PHE 61 -8.166 -3.110 -2.568 493 HB3 PHE 61 HB1 PHE 61 -8.805 -3.242 -0.944 494 HD1 PHE 61 HD1 PHE 61 -5.181 -3.651 -1.234 495 HD2 PHE 61 HD2 PHE 61 -8.367 -0.878 -0.821 496 HE1 PHE 61 HE1 PHE 61 -3.592 -1.941 -0.546 497 HE2 PHE 61 HE2 PHE 61 -6.780 0.859 -0.197 498 HZ PHE 61 HZ PHE 61 -4.375 0.340 -0.032 499 H ARG 62 HN ARG 62 -8.763 -6.509 -0.055 500 HA ARG 62 HA ARG 62 -10.987 -6.861 -1.923 501 HB2 ARG 62 HB2 ARG 62 -10.935 -9.268 -1.756 502 HB3 ARG 62 HB1 ARG 62 -9.377 -8.714 -2.343 503 HG2 ARG 62 HG2 ARG 62 -8.378 -9.064 -0.189 504 HG3 ARG 62 HG1 ARG 62 -9.948 -9.461 0.515 505 HD2 ARG 62 HD2 ARG 62 -8.756 -11.502 0.083 506 HD3 ARG 62 HD1 ARG 62 -10.108 -11.382 -1.040 507 HE ARG 62 HE ARG 62 -7.283 -10.895 -1.727 508 HH11 ARG 62 HH11 ARG 62 -10.545 -11.757 -2.666 509 HH12 ARG 62 HH12 ARG 62 -10.094 -12.226 -4.272 510 HH21 ARG 62 HH21 ARG 62 -6.688 -11.512 -3.842 511 HH22 ARG 62 HH22 ARG 62 -7.899 -12.082 -4.943 512 H GLN 63 HN GLN 63 -12.582 -8.541 -0.570 513 HA GLN 63 HA GLN 63 -12.507 -7.823 2.259 514 HB2 GLN 63 HB2 GLN 63 -13.800 -6.048 1.124 515 HB3 GLN 63 HB1 GLN 63 -14.891 -7.263 0.477 516 HG2 GLN 63 HG2 GLN 63 -15.938 -6.205 2.334 517 HG3 GLN 63 HG1 GLN 63 -15.524 -7.852 2.797 518 HE21 GLN 63 HE21 GLN 63 -16.044 -5.499 4.425 519 HE22 GLN 63 HE22 GLN 63 -14.644 -5.284 5.413 520 H GLY 64 HN GLY 64 -13.998 -9.143 3.563 521 HA2 GLY 64 HA2 GLY 64 -14.094 -11.835 2.639 522 HA3 GLY 64 HA1 GLY 64 -14.743 -11.250 4.167 523 H ILE 65 HN ILE 65 -15.310 -11.904 0.858 524 HA ILE 65 HA ILE 65 -18.039 -12.149 0.774 525 HB ILE 65 HB ILE 65 -18.003 -9.811 1.578 526 HG12 ILE 65 HG12 ILE 65 -19.540 -8.815 -0.024 527 HG13 ILE 65 HG11 ILE 65 -19.035 -9.947 -1.267 528 HG21 ILE 65 HG21 ILE 65 -17.076 -8.058 0.233 529 HG22 ILE 65 HG22 ILE 65 -16.668 -9.225 -1.027 530 HG23 ILE 65 HG23 ILE 65 -15.869 -9.318 0.543 531 HD11 ILE 65 HD11 ILE 65 -19.979 -11.788 0.018 532 HD12 ILE 65 HD12 ILE 65 -21.191 -10.549 -0.308 533 HD13 ILE 65 HD13 ILE 65 -20.452 -10.661 1.289 534 H ASN 66 HN ASN 66 -18.525 -11.233 -1.895 535 HA ASN 66 HA ASN 66 -16.684 -12.598 -3.535 536 HB2 ASN 66 HB2 ASN 66 -18.570 -10.337 -4.249 537 HB3 ASN 66 HB1 ASN 66 -17.698 -11.317 -5.419 538 HD21 ASN 66 HD21 ASN 66 -20.518 -10.990 -5.198 539 HD22 ASN 66 HD22 ASN 66 -21.191 -12.549 -4.866 540 H MET 67 HN MET 67 -15.838 -10.804 -5.536 541 HA MET 67 HA MET 67 -13.544 -9.723 -4.343 542 HB2 MET 67 HB2 MET 67 -13.118 -8.561 -6.465 543 HB3 MET 67 HB1 MET 67 -13.552 -10.244 -6.709 544 HG2 MET 67 HG2 MET 67 -15.793 -9.589 -7.365 545 HG3 MET 67 HG1 MET 67 -15.399 -7.897 -7.069 546 HE1 MET 67 HE1 MET 67 -14.563 -11.079 -9.129 547 HE2 MET 67 HE2 MET 67 -12.937 -10.560 -8.687 548 HE3 MET 67 HE3 MET 67 -13.464 -10.475 -10.367 549 H LYS 68 HN LYS 68 -16.586 -8.198 -5.280 550 HA LYS 68 HA LYS 68 -17.381 -6.056 -4.935 551 HB2 LYS 68 HB2 LYS 68 -16.808 -6.987 -2.122 552 HB3 LYS 68 HB1 LYS 68 -17.994 -5.779 -2.590 553 HG2 LYS 68 HG2 LYS 68 -18.055 -8.660 -3.450 554 HG3 LYS 68 HG1 LYS 68 -18.962 -7.999 -2.093 555 HD2 LYS 68 HD2 LYS 68 -19.269 -6.707 -4.757 556 HD3 LYS 68 HD1 LYS 68 -20.038 -8.271 -4.499 557 HE2 LYS 68 HE2 LYS 68 -21.627 -6.553 -3.990 558 HE3 LYS 68 HE1 LYS 68 -21.146 -7.327 -2.484 559 HZ1 LYS 68 HZ1 LYS 68 -21.262 -4.911 -2.303 560 HZ2 LYS 68 HZ2 LYS 68 -20.066 -4.749 -3.495 561 HZ3 LYS 68 HZ3 LYS 68 -19.700 -5.484 -2.014 562 H PHE 69 HN PHE 69 -15.583 -5.758 -1.995 563 HA PHE 69 HA PHE 69 -14.543 -3.195 -2.705 564 HB2 PHE 69 HB2 PHE 69 -14.467 -5.013 -0.340 565 HB3 PHE 69 HB1 PHE 69 -13.239 -3.746 -0.440 566 HD1 PHE 69 HD1 PHE 69 -13.952 -1.365 -0.509 567 HD2 PHE 69 HD2 PHE 69 -16.687 -4.532 0.259 568 HE1 PHE 69 HE1 PHE 69 -15.545 0.249 0.445 569 HE2 PHE 69 HE2 PHE 69 -18.287 -2.923 1.207 570 HZ PHE 69 HZ PHE 69 -17.717 -0.530 1.301 571 H PHE 70 HN PHE 70 -13.268 -3.925 -4.645 572 HA PHE 70 HA PHE 70 -10.802 -5.362 -3.903 573 HB2 PHE 70 HB2 PHE 70 -12.543 -6.521 -5.360 574 HB3 PHE 70 HB1 PHE 70 -12.010 -5.447 -6.643 575 HD1 PHE 70 HD1 PHE 70 -10.584 -7.598 -4.017 576 HD2 PHE 70 HD2 PHE 70 -10.336 -6.273 -8.037 577 HE1 PHE 70 HE1 PHE 70 -8.712 -9.064 -4.363 578 HE2 PHE 70 HE2 PHE 70 -8.442 -7.760 -8.414 579 HZ PHE 70 HZ PHE 70 -7.600 -9.184 -6.573 580 H THR 71 HN THR 71 -8.920 -4.811 -4.768 581 HA THR 71 HA THR 71 -8.468 -3.424 -7.126 582 HB THR 71 HB THR 71 -9.203 -1.441 -5.625 583 HG1 THR 71 HG1 THR 71 -8.343 -0.703 -7.427 584 HG21 THR 71 HG21 THR 71 -6.544 -2.145 -4.495 585 HG22 THR 71 HG22 THR 71 -7.982 -1.534 -3.670 586 HG23 THR 71 HG23 THR 71 -6.986 -0.442 -4.649 587 H GLU 72 HN GLU 72 -6.041 -2.559 -7.093 588 HA GLU 72 HA GLU 72 -4.446 -4.643 -5.802 589 HB2 GLU 72 HB2 GLU 72 -5.516 -5.195 -8.146 590 HB3 GLU 72 HB1 GLU 72 -4.179 -4.215 -8.728 591 HG2 GLU 72 HG2 GLU 72 -2.602 -5.696 -7.553 592 HG3 GLU 72 HG1 GLU 72 -3.964 -6.716 -7.086 593 H VAL 73 HN VAL 73 -2.971 -3.339 -4.770 594 HA VAL 73 HA VAL 73 -1.956 -1.048 -6.312 595 HB VAL 73 HB VAL 73 -1.619 -0.933 -3.402 596 HG11 VAL 73 HG11 VAL 73 -2.560 0.996 -5.509 597 HG12 VAL 73 HG12 VAL 73 -0.937 0.878 -4.828 598 HG13 VAL 73 HG13 VAL 73 -2.282 1.402 -3.817 599 HG21 VAL 73 HG21 VAL 73 -3.985 -0.046 -3.159 600 HG22 VAL 73 HG22 VAL 73 -3.797 -1.803 -3.245 601 HG23 VAL 73 HG23 VAL 73 -4.333 -0.896 -4.670 602 H GLU 74 HN GLU 74 0.204 -0.737 -6.474 603 HA GLU 74 HA GLU 74 1.952 -2.852 -5.557 604 HB2 GLU 74 HB2 GLU 74 2.538 -0.370 -7.182 605 HB3 GLU 74 HB1 GLU 74 3.609 -1.735 -6.951 606 HG2 GLU 74 HG2 GLU 74 2.343 -3.130 -8.304 607 HG3 GLU 74 HG1 GLU 74 0.914 -2.105 -8.177 608 H ALA 75 HN ALA 75 2.486 -2.671 -3.448 609 HA ALA 75 HA ALA 75 2.660 -0.307 -1.956 610 HB1 ALA 75 HB1 ALA 75 4.159 -2.861 -1.414 611 HB2 ALA 75 HB2 ALA 75 2.456 -2.612 -1.027 612 HB3 ALA 75 HB3 ALA 75 3.691 -1.623 -0.247 613 H TYR 76 HN TYR 76 4.978 -1.958 -3.962 614 HA TYR 76 HA TYR 76 6.930 0.149 -3.413 615 HB2 TYR 76 HB2 TYR 76 7.380 -1.705 -1.866 616 HB3 TYR 76 HB1 TYR 76 7.495 -2.814 -3.227 617 HD1 TYR 76 HD1 TYR 76 9.593 -3.289 -4.105 618 HD2 TYR 76 HD2 TYR 76 9.061 0.323 -1.924 619 HE1 TYR 76 HE1 TYR 76 11.992 -2.863 -4.246 620 HE2 TYR 76 HE2 TYR 76 11.461 0.761 -2.064 621 HH TYR 76 HH TYR 76 13.561 -0.527 -2.376 622 H ARG 77 HN ARG 77 8.279 0.622 -5.093 623 HA ARG 77 HA ARG 77 7.748 -0.722 -7.638 624 HB2 ARG 77 HB2 ARG 77 9.004 1.918 -6.921 625 HB3 ARG 77 HB1 ARG 77 9.187 1.221 -8.523 626 HG2 ARG 77 HG2 ARG 77 6.732 1.206 -8.765 627 HG3 ARG 77 HG1 ARG 77 6.601 1.994 -7.189 628 HD2 ARG 77 HD2 ARG 77 6.496 3.534 -9.180 629 HD3 ARG 77 HD1 ARG 77 7.716 3.939 -7.971 630 HE ARG 77 HE ARG 77 8.768 2.272 -10.042 631 HH11 ARG 77 HH11 ARG 77 7.890 5.588 -9.321 632 HH12 ARG 77 HH12 ARG 77 9.074 6.261 -10.397 633 HH21 ARG 77 HH21 ARG 77 10.308 3.153 -11.452 634 HH22 ARG 77 HH22 ARG 77 10.441 4.879 -11.620 635 HA PRO 78 HA PRO 78 11.598 -2.832 -7.085 636 HB2 PRO 78 HB2 PRO 78 11.652 -4.170 -9.368 637 HB3 PRO 78 HB1 PRO 78 10.477 -4.555 -8.110 638 HG2 PRO 78 HG2 PRO 78 10.110 -3.073 -10.668 639 HG3 PRO 78 HG1 PRO 78 8.991 -4.158 -9.828 640 HD2 PRO 78 HD2 PRO 78 8.921 -1.371 -9.759 641 HD3 PRO 78 HD1 PRO 78 8.103 -2.455 -8.620 642 H ASP 79 HN ASP 79 11.708 -0.125 -8.106 643 HA ASP 79 HA ASP 79 13.806 -0.265 -10.126 644 HB2 ASP 79 HB2 ASP 79 12.245 2.073 -9.102 645 HB3 ASP 79 HB1 ASP 79 13.529 2.179 -10.293 646 H LEU 80 HN LEU 80 15.688 -0.722 -9.146 647 HA LEU 80 HA LEU 80 16.337 0.322 -6.558 648 HB2 LEU 80 HB2 LEU 80 17.090 -1.897 -7.359 649 HB3 LEU 80 HB1 LEU 80 18.087 -1.087 -8.543 650 HG LEU 80 HG LEU 80 19.357 -0.026 -6.671 651 HD11 LEU 80 HD11 LEU 80 17.672 -0.175 -4.934 652 HD12 LEU 80 HD12 LEU 80 19.139 -1.017 -4.439 653 HD13 LEU 80 HD13 LEU 80 17.739 -1.935 -4.991 654 HD21 LEU 80 HD21 LEU 80 20.592 -2.069 -6.080 655 HD22 LEU 80 HD22 LEU 80 20.233 -1.972 -7.803 656 HD23 LEU 80 HD23 LEU 80 19.286 -3.037 -6.766 657 H LYS 81 HN LYS 81 16.316 1.592 -9.537 658 HA LYS 81 HA LYS 81 18.768 3.047 -9.586 659 HB2 LYS 81 HB2 LYS 81 16.254 3.653 -11.142 660 HB3 LYS 81 HB1 LYS 81 17.902 4.108 -11.556 661 HG2 LYS 81 HG2 LYS 81 18.471 1.750 -11.873 662 HG3 LYS 81 HG1 LYS 81 16.813 1.301 -11.472 663 HD2 LYS 81 HD2 LYS 81 16.076 2.750 -13.395 664 HD3 LYS 81 HD1 LYS 81 17.775 2.883 -13.846 665 HE2 LYS 81 HE2 LYS 81 16.177 0.333 -13.637 666 HE3 LYS 81 HE1 LYS 81 16.677 1.128 -15.128 667 HZ1 LYS 81 HZ1 LYS 81 18.520 0.012 -13.084 668 HZ2 LYS 81 HZ2 LYS 81 18.972 0.722 -14.549 669 HZ3 LYS 81 HZ3 LYS 81 18.117 -0.735 -14.546 670 H HIS 82 HN HIS 82 15.551 3.646 -8.362 671 HA HIS 82 HA HIS 82 16.276 6.408 -7.726 672 HB2 HIS 82 HB2 HIS 82 13.971 6.835 -7.277 673 HB3 HIS 82 HB1 HIS 82 14.032 5.917 -8.769 674 HD1 HIS 82 HD1 HIS 82 13.083 3.455 -8.693 675 HD2 HIS 82 HD2 HIS 82 12.658 5.614 -5.155 676 HE1 HIS 82 HE1 HIS 82 11.351 2.229 -7.335 677 HE2 HIS 82 HE2 HIS 82 11.265 3.438 -5.136 678 HA PRO 83 HA PRO 83 17.479 5.216 -3.683 679 HB2 PRO 83 HB2 PRO 83 17.355 7.637 -2.463 680 HB3 PRO 83 HB1 PRO 83 18.625 7.200 -3.611 681 HG2 PRO 83 HG2 PRO 83 16.138 8.802 -4.062 682 HG3 PRO 83 HG1 PRO 83 17.789 9.115 -4.632 683 HD2 PRO 83 HD2 PRO 83 15.897 8.019 -6.219 684 HD3 PRO 83 HD1 PRO 83 17.617 7.599 -6.360 685 H LEU 84 HN LEU 84 16.378 4.238 -2.126 686 HA LEU 84 HA LEU 84 13.714 5.196 -1.401 687 HB2 LEU 84 HB2 LEU 84 15.138 2.652 -0.614 688 HB3 LEU 84 HB1 LEU 84 13.525 3.089 -0.111 689 HG LEU 84 HG LEU 84 13.274 1.501 -1.825 690 HD11 LEU 84 HD11 LEU 84 12.857 4.211 -3.065 691 HD12 LEU 84 HD12 LEU 84 11.747 3.393 -1.967 692 HD13 LEU 84 HD13 LEU 84 12.081 2.707 -3.557 693 HD21 LEU 84 HD21 LEU 84 15.505 1.578 -2.772 694 HD22 LEU 84 HD22 LEU 84 15.158 3.141 -3.509 695 HD23 LEU 84 HD23 LEU 84 14.287 1.703 -4.041 696 H CYS 85 HN CYS 85 14.929 3.434 1.054 697 HA CYS 85 HA CYS 85 15.663 3.806 3.138 698 HB2 CYS 85 HB2 CYS 85 17.007 6.228 2.061 699 HB3 CYS 85 HB1 CYS 85 17.495 5.276 3.452 700 H GLY 86 HN GLY 86 15.660 7.121 2.469 701 HA2 GLY 86 HA2 GLY 86 13.865 7.774 4.593 702 HA3 GLY 86 HA1 GLY 86 14.545 8.904 3.432 703 H LYS 87 HN LYS 87 12.780 6.098 2.337 704 HA LYS 87 HA LYS 87 10.860 7.959 1.111 705 HB2 LYS 87 HB2 LYS 87 12.493 6.081 -0.064 706 HB3 LYS 87 HB1 LYS 87 10.960 5.220 0.067 707 HG2 LYS 87 HG2 LYS 87 10.923 6.236 -2.046 708 HG3 LYS 87 HG1 LYS 87 9.905 7.260 -1.030 709 HD2 LYS 87 HD2 LYS 87 11.859 8.754 -0.673 710 HD3 LYS 87 HD1 LYS 87 12.773 7.771 -1.818 711 HE2 LYS 87 HE2 LYS 87 11.996 9.576 -3.087 712 HE3 LYS 87 HE1 LYS 87 10.884 8.262 -3.469 713 HZ1 LYS 87 HZ1 LYS 87 10.401 10.520 -1.608 714 HZ2 LYS 87 HZ2 LYS 87 9.356 9.206 -1.791 715 HZ3 LYS 87 HZ3 LYS 87 9.641 10.243 -3.094 716 H ARG 88 HN ARG 88 8.683 7.457 1.035 717 HA ARG 88 HA ARG 88 7.737 5.071 2.430 718 HB2 ARG 88 HB2 ARG 88 6.007 6.469 3.608 719 HB3 ARG 88 HB1 ARG 88 7.652 6.706 4.179 720 HG2 ARG 88 HG2 ARG 88 7.813 8.758 2.851 721 HG3 ARG 88 HG1 ARG 88 6.154 8.523 2.298 722 HD2 ARG 88 HD2 ARG 88 6.917 8.766 5.199 723 HD3 ARG 88 HD1 ARG 88 6.459 10.144 4.204 724 HE ARG 88 HE ARG 88 4.285 8.943 3.878 725 HH11 ARG 88 HH11 ARG 88 6.260 8.271 6.692 726 HH12 ARG 88 HH12 ARG 88 4.903 7.903 7.707 727 HH21 ARG 88 HH21 ARG 88 2.508 8.471 5.215 728 HH22 ARG 88 HH22 ARG 88 2.769 8.016 6.870 729 H TYR 89 HN TYR 89 6.163 4.113 1.294 730 HA TYR 89 HA TYR 89 4.891 5.619 -0.878 731 HB2 TYR 89 HB2 TYR 89 5.044 2.653 -0.328 732 HB3 TYR 89 HB1 TYR 89 4.066 3.348 -1.605 733 HD1 TYR 89 HD1 TYR 89 4.983 3.812 -3.691 734 HD2 TYR 89 HD2 TYR 89 7.574 3.012 -0.412 735 HE1 TYR 89 HE1 TYR 89 6.889 3.697 -5.235 736 HE2 TYR 89 HE2 TYR 89 9.492 2.897 -1.951 737 HH TYR 89 HH TYR 89 9.364 4.037 -5.094 738 H GLU 90 HN GLU 90 2.947 6.443 -0.497 739 HA GLU 90 HA GLU 90 1.216 5.067 1.418 740 HB2 GLU 90 HB2 GLU 90 1.604 7.306 2.157 741 HB3 GLU 90 HB1 GLU 90 1.286 7.952 0.554 742 HG2 GLU 90 HG2 GLU 90 -1.044 7.353 0.713 743 HG3 GLU 90 HG1 GLU 90 -0.756 6.548 2.257 744 H LEU 91 HN LEU 91 -0.225 3.843 0.523 745 HA LEU 91 HA LEU 91 -1.663 4.985 -1.766 746 HB2 LEU 91 HB2 LEU 91 -2.036 2.105 -1.011 747 HB3 LEU 91 HB1 LEU 91 -2.274 2.883 -2.542 748 HG LEU 91 HG LEU 91 -0.449 1.406 -2.817 749 HD11 LEU 91 HD11 LEU 91 -0.131 3.489 -3.950 750 HD12 LEU 91 HD12 LEU 91 1.424 2.892 -3.371 751 HD13 LEU 91 HD13 LEU 91 0.608 4.202 -2.517 752 HD21 LEU 91 HD21 LEU 91 0.817 2.652 -0.386 753 HD22 LEU 91 HD22 LEU 91 1.578 1.465 -1.444 754 HD23 LEU 91 HD23 LEU 91 0.150 1.024 -0.508 755 H SER 92 HN SER 92 -3.689 5.600 -1.356 756 HA SER 92 HA SER 92 -4.756 4.782 1.254 757 HB2 SER 92 HB2 SER 92 -5.834 7.068 1.325 758 HB3 SER 92 HB1 SER 92 -4.079 7.066 1.472 759 HG SER 92 HG SER 92 -4.405 8.571 -0.016 760 H ALA 93 HN ALA 93 -6.686 3.993 1.318 761 HA ALA 93 HA ALA 93 -8.201 3.876 -1.162 762 HB1 ALA 93 HB1 ALA 93 -8.559 1.811 -0.577 763 HB2 ALA 93 HB2 ALA 93 -9.412 2.386 0.863 764 HB3 ALA 93 HB3 ALA 93 -7.674 2.074 0.939 765 H ARG 94 HN ARG 94 -9.163 5.661 -1.292 766 HA ARG 94 HA ARG 94 -10.697 6.616 1.062 767 HB2 ARG 94 HB2 ARG 94 -9.394 8.458 -0.943 768 HB3 ARG 94 HB1 ARG 94 -10.125 8.879 0.594 769 HG2 ARG 94 HG2 ARG 94 -8.245 7.403 1.597 770 HG3 ARG 94 HG1 ARG 94 -7.466 7.661 0.034 771 HD2 ARG 94 HD2 ARG 94 -8.292 9.726 2.060 772 HD3 ARG 94 HD1 ARG 94 -6.668 9.365 1.481 773 HE ARG 94 HE ARG 94 -8.078 10.138 -0.745 774 HH11 ARG 94 HH11 ARG 94 -7.322 11.567 2.355 775 HH12 ARG 94 HH12 ARG 94 -7.323 13.193 1.752 776 HH21 ARG 94 HH21 ARG 94 -8.095 12.284 -1.547 777 HH22 ARG 94 HH22 ARG 94 -7.781 13.603 -0.459 778 H MET 95 HN MET 95 -12.216 7.948 0.769 779 HA MET 95 HA MET 95 -14.429 7.470 -0.294 780 HB2 MET 95 HB2 MET 95 -13.465 10.263 -0.808 781 HB3 MET 95 HB1 MET 95 -15.004 9.733 -0.144 782 HG2 MET 95 HG2 MET 95 -13.936 9.098 1.933 783 HG3 MET 95 HG1 MET 95 -12.341 9.500 1.291 784 HE1 MET 95 HE1 MET 95 -15.877 10.946 2.275 785 HE2 MET 95 HE2 MET 95 -15.642 11.576 0.645 786 HE3 MET 95 HE3 MET 95 -15.628 12.673 2.024 787 H ASP 96 HN ASP 96 -11.992 9.095 -2.346 788 HA ASP 96 HA ASP 96 -13.683 8.868 -4.695 789 HB2 ASP 96 HB2 ASP 96 -12.387 10.908 -4.387 790 HB3 ASP 96 HB1 ASP 96 -10.892 9.980 -4.344 791 H ALA 97 HN ALA 97 -10.216 8.114 -4.382 792 HA ALA 97 HA ALA 97 -10.676 5.478 -5.609 793 HB1 ALA 97 HB1 ALA 97 -8.459 6.037 -6.953 794 HB2 ALA 97 HB2 ALA 97 -9.024 7.708 -6.715 795 HB3 ALA 97 HB3 ALA 97 -10.051 6.551 -7.556 796 H ILE 98 HN ILE 98 -8.253 4.587 -5.887 797 HA ILE 98 HA ILE 98 -7.009 4.634 -3.255 798 HB ILE 98 HB ILE 98 -6.518 2.934 -5.726 799 HG12 ILE 98 HG12 ILE 98 -8.582 2.717 -4.063 800 HG13 ILE 98 HG11 ILE 98 -7.763 1.280 -4.667 801 HG21 ILE 98 HG21 ILE 98 -5.221 2.666 -2.948 802 HG22 ILE 98 HG22 ILE 98 -4.419 3.392 -4.346 803 HG23 ILE 98 HG23 ILE 98 -4.880 1.688 -4.382 804 HD11 ILE 98 HD11 ILE 98 -6.450 1.274 -2.582 805 HD12 ILE 98 HD12 ILE 98 -8.185 1.075 -2.334 806 HD13 ILE 98 HD13 ILE 98 -7.413 2.650 -2.031 807 H TYR 99 HN TYR 99 -5.195 5.708 -2.891 808 HA TYR 99 HA TYR 99 -4.157 7.311 -5.108 809 HB2 TYR 99 HB2 TYR 99 -3.783 7.529 -2.122 810 HB3 TYR 99 HB1 TYR 99 -2.957 8.560 -3.286 811 HD1 TYR 99 HD1 TYR 99 -6.495 7.375 -2.895 812 HD2 TYR 99 HD2 TYR 99 -3.851 10.676 -3.328 813 HE1 TYR 99 HE1 TYR 99 -8.416 8.903 -2.902 814 HE2 TYR 99 HE2 TYR 99 -5.766 12.212 -3.338 815 HH TYR 99 HH TYR 99 -8.202 12.122 -3.869 816 H PHE 100 HN PHE 100 -1.850 7.574 -5.410 817 HA PHE 100 HA PHE 100 -0.200 5.376 -4.436 818 HB2 PHE 100 HB2 PHE 100 -1.423 4.612 -6.514 819 HB3 PHE 100 HB1 PHE 100 -0.578 5.877 -7.394 820 HD1 PHE 100 HD1 PHE 100 1.928 5.765 -7.584 821 HD2 PHE 100 HD2 PHE 100 -0.419 2.553 -6.081 822 HE1 PHE 100 HE1 PHE 100 3.789 4.213 -8.008 823 HE2 PHE 100 HE2 PHE 100 1.434 1.000 -6.494 824 HZ PHE 100 HZ PHE 100 3.545 1.824 -7.461 825 H LYS 101 HN LYS 101 1.153 6.956 -3.470 826 HA LYS 101 HA LYS 101 3.031 8.121 -5.347 827 HB2 LYS 101 HB2 LYS 101 1.034 9.720 -3.997 828 HB3 LYS 101 HB1 LYS 101 2.654 10.222 -3.540 829 HG2 LYS 101 HG2 LYS 101 1.840 9.882 -6.407 830 HG3 LYS 101 HG1 LYS 101 1.579 11.384 -5.523 831 HD2 LYS 101 HD2 LYS 101 3.959 11.568 -5.082 832 HD3 LYS 101 HD1 LYS 101 4.245 10.024 -5.880 833 HE2 LYS 101 HE2 LYS 101 4.806 11.851 -7.366 834 HE3 LYS 101 HE1 LYS 101 3.414 10.967 -7.985 835 HZ1 LYS 101 HZ1 LYS 101 1.978 12.705 -7.067 836 HZ2 LYS 101 HZ2 LYS 101 3.075 13.327 -8.191 837 HZ3 LYS 101 HZ3 LYS 101 3.340 13.561 -6.537 838 H MET 102 HN MET 102 5.088 8.015 -4.575 839 HA MET 102 HA MET 102 5.424 7.679 -1.673 840 HB2 MET 102 HB2 MET 102 7.825 7.189 -2.264 841 HB3 MET 102 HB1 MET 102 6.672 6.039 -2.926 842 HG2 MET 102 HG2 MET 102 6.838 7.023 -5.098 843 HG3 MET 102 HG1 MET 102 7.818 8.347 -4.478 844 HE1 MET 102 HE1 MET 102 10.358 6.419 -6.720 845 HE2 MET 102 HE2 MET 102 9.627 7.981 -6.351 846 HE3 MET 102 HE3 MET 102 8.642 6.683 -7.026 847 H ASP 103 HN ASP 103 4.873 9.829 -1.197 848 HA ASP 103 HA ASP 103 6.892 11.803 -2.006 849 HB2 ASP 103 HB2 ASP 103 4.500 11.924 -3.066 850 HB3 ASP 103 HB1 ASP 103 4.069 12.648 -1.522 851 H GLU 104 HN GLU 104 6.205 13.911 -0.545 852 HA GLU 104 HA GLU 104 6.144 13.015 2.240 853 HB2 GLU 104 HB2 GLU 104 7.076 15.269 2.699 854 HB3 GLU 104 HB1 GLU 104 8.126 14.280 1.699 855 HG2 GLU 104 HG2 GLU 104 7.361 15.445 -0.277 856 HG3 GLU 104 HG1 GLU 104 6.261 16.411 0.700 857 H ARG 105 HN ARG 105 4.479 14.610 -0.256 858 HA ARG 105 HA ARG 105 2.565 15.862 1.601 859 HB2 ARG 105 HB2 ARG 105 1.914 17.285 -0.262 860 HB3 ARG 105 HB1 ARG 105 3.657 17.347 -0.070 861 HG2 ARG 105 HG2 ARG 105 3.861 15.685 -1.903 862 HG3 ARG 105 HG1 ARG 105 2.118 15.803 -2.143 863 HD2 ARG 105 HD2 ARG 105 4.027 18.126 -2.307 864 HD3 ARG 105 HD1 ARG 105 3.456 17.207 -3.696 865 HE ARG 105 HE ARG 105 1.146 17.961 -2.616 866 HH11 ARG 105 HH11 ARG 105 4.066 19.780 -3.231 867 HH12 ARG 105 HH12 ARG 105 3.236 21.285 -3.456 868 HH21 ARG 105 HH21 ARG 105 0.043 19.934 -2.940 869 HH22 ARG 105 HH22 ARG 105 0.945 21.371 -3.298 870 HA PRO 106 HA PRO 106 -0.980 13.316 0.544 871 HB2 PRO 106 HB2 PRO 106 -1.943 15.589 -1.159 872 HB3 PRO 106 HB1 PRO 106 -2.845 14.578 -0.021 873 HG2 PRO 106 HG2 PRO 106 -2.066 17.003 0.698 874 HG3 PRO 106 HG1 PRO 106 -1.957 15.651 1.841 875 HD2 PRO 106 HD2 PRO 106 0.198 17.042 0.341 876 HD3 PRO 106 HD1 PRO 106 0.254 16.268 1.934 877 HA PRO 107 HA PRO 107 0.246 11.675 -3.384 878 HB2 PRO 107 HB2 PRO 107 -1.118 9.386 -3.269 879 HB3 PRO 107 HB1 PRO 107 0.201 9.718 -2.139 880 HG2 PRO 107 HG2 PRO 107 -2.749 9.881 -1.707 881 HG3 PRO 107 HG1 PRO 107 -1.484 9.291 -0.615 882 HD2 PRO 107 HD2 PRO 107 -2.635 11.818 -0.527 883 HD3 PRO 107 HD1 PRO 107 -1.085 11.368 0.207 884 H GLN 108 HN GLN 108 -1.003 10.362 -5.215 885 HA GLN 108 HA GLN 108 -3.348 11.982 -5.954 886 HB2 GLN 108 HB2 GLN 108 -2.664 11.739 -8.282 887 HB3 GLN 108 HB1 GLN 108 -1.377 12.483 -7.339 888 HG2 GLN 108 HG2 GLN 108 -0.330 10.207 -7.163 889 HG3 GLN 108 HG1 GLN 108 -1.531 9.645 -8.323 890 HE21 GLN 108 HE21 GLN 108 1.325 9.672 -8.587 891 HE22 GLN 108 HE22 GLN 108 1.700 10.665 -9.955 892 HA PRO 109 HA PRO 109 -5.717 8.191 -6.400 893 HB2 PRO 109 HB2 PRO 109 -6.964 9.749 -8.599 894 HB3 PRO 109 HB1 PRO 109 -7.731 8.918 -7.245 895 HG2 PRO 109 HG2 PRO 109 -7.563 11.559 -7.258 896 HG3 PRO 109 HG1 PRO 109 -7.273 10.654 -5.761 897 HD2 PRO 109 HD2 PRO 109 -5.295 11.899 -7.633 898 HD3 PRO 109 HD1 PRO 109 -5.298 11.860 -5.857 899 H LEU 110 HN LEU 110 -4.716 6.523 -7.405 900 HA LEU 110 HA LEU 110 -4.331 6.704 -10.304 901 HB2 LEU 110 HB2 LEU 110 -2.207 7.284 -9.076 902 HB3 LEU 110 HB1 LEU 110 -2.218 5.646 -8.456 903 HG LEU 110 HG LEU 110 -2.050 4.782 -10.766 904 HD11 LEU 110 HD11 LEU 110 -1.453 6.347 -12.572 905 HD12 LEU 110 HD12 LEU 110 -1.804 7.696 -11.490 906 HD13 LEU 110 HD13 LEU 110 -3.093 6.594 -11.973 907 HD21 LEU 110 HD21 LEU 110 0.088 6.756 -9.980 908 HD22 LEU 110 HD22 LEU 110 0.280 5.447 -11.145 909 HD23 LEU 110 HD23 LEU 110 -0.033 5.079 -9.449 910 H ASN 111 HN ASN 111 -5.687 5.113 -7.818 911 HA ASN 111 HA ASN 111 -5.939 2.689 -9.391 912 HB2 ASN 111 HB2 ASN 111 -4.831 2.741 -6.593 913 HB3 ASN 111 HB1 ASN 111 -5.781 1.361 -7.141 914 HD21 ASN 111 HD21 ASN 111 -2.756 2.973 -7.244 915 HD22 ASN 111 HD22 ASN 111 -1.924 1.818 -8.226 916 H LYS 112 HN LYS 112 -7.903 1.486 -8.509 917 HA LYS 112 HA LYS 112 -9.452 3.226 -6.812 918 HB2 LYS 112 HB2 LYS 112 -11.398 2.984 -8.322 919 HB3 LYS 112 HB1 LYS 112 -10.081 3.920 -8.965 920 HG2 LYS 112 HG2 LYS 112 -10.389 1.031 -9.656 921 HG3 LYS 112 HG1 LYS 112 -11.306 2.267 -10.512 922 HD2 LYS 112 HD2 LYS 112 -8.299 2.257 -10.268 923 HD3 LYS 112 HD1 LYS 112 -9.180 1.578 -11.637 924 HE2 LYS 112 HE2 LYS 112 -9.350 4.448 -10.727 925 HE3 LYS 112 HE1 LYS 112 -8.335 3.872 -12.045 926 HZ1 LYS 112 HZ1 LYS 112 -10.335 3.117 -13.189 927 HZ2 LYS 112 HZ2 LYS 112 -10.393 4.778 -12.885 928 HZ3 LYS 112 HZ3 LYS 112 -11.299 3.714 -11.934 929 H TRP 113 HN TRP 113 -10.598 2.256 -5.427 930 HA TRP 113 HA TRP 113 -10.748 -0.595 -5.299 931 HB2 TRP 113 HB2 TRP 113 -12.173 -0.118 -3.299 932 HB3 TRP 113 HB1 TRP 113 -10.504 0.479 -3.181 933 HD1 TRP 113 HD1 TRP 113 -10.170 3.078 -2.984 934 HE1 TRP 113 HE1 TRP 113 -11.760 5.084 -2.722 935 HE3 TRP 113 HE3 TRP 113 -14.613 0.731 -3.936 936 HZ2 TRP 113 HZ2 TRP 113 -14.521 5.599 -2.889 937 HZ3 TRP 113 HZ3 TRP 113 -16.682 2.054 -3.862 938 HH2 TRP 113 HH2 TRP 113 -16.637 4.439 -3.348 939 H ARG 114 HN ARG 114 -12.973 -1.352 -4.519 940 HA ARG 114 HA ARG 114 -15.093 -0.353 -6.267 941 HB2 ARG 114 HB2 ARG 114 -14.022 -3.123 -5.954 942 HB3 ARG 114 HB1 ARG 114 -15.558 -2.789 -6.756 943 HG2 ARG 114 HG2 ARG 114 -14.374 -1.510 -8.468 944 HG3 ARG 114 HG1 ARG 114 -12.843 -1.808 -7.642 945 HD2 ARG 114 HD2 ARG 114 -13.383 -4.287 -7.907 946 HD3 ARG 114 HD1 ARG 114 -14.629 -3.775 -9.044 947 HE ARG 114 HE ARG 114 -12.369 -2.530 -9.923 948 HH11 ARG 114 HH11 ARG 114 -13.266 -5.857 -9.286 949 HH12 ARG 114 HH12 ARG 114 -12.127 -6.508 -10.419 950 HH21 ARG 114 HH21 ARG 114 -10.883 -3.384 -11.407 951 HH22 ARG 114 HH22 ARG 114 -10.770 -5.105 -11.629 952 H SER 115 HN SER 115 -17.146 -1.765 -5.618 953 HA SER 115 HA SER 115 -17.259 -2.903 -3.058 954 HB2 SER 115 HB2 SER 115 -18.665 -1.109 -1.957 955 HB3 SER 115 HB1 SER 115 -16.956 -0.728 -2.132 956 HG SER 115 HG SER 115 -18.275 0.088 -4.318 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 22.454 -0.402 -1.012 2 H2 ALA 1 HT2 ALA 1 20.803 -0.405 -1.365 3 H3 ALA 1 HT3 ALA 1 21.466 -1.631 -0.410 4 HA ALA 1 HA ALA 1 21.364 1.227 0.330 5 HB1 ALA 1 HB1 ALA 1 19.711 -1.072 1.369 6 HB2 ALA 1 HB2 ALA 1 19.134 0.193 0.284 7 HB3 ALA 1 HB3 ALA 1 19.641 0.602 1.922 8 H MET 2 HN MET 2 22.685 1.765 1.948 9 HA MET 2 HA MET 2 23.894 -0.398 3.541 10 HB2 MET 2 HB2 MET 2 25.286 2.065 2.464 11 HB3 MET 2 HB1 MET 2 25.999 0.929 3.596 12 HG2 MET 2 HG2 MET 2 26.881 0.340 1.522 13 HG3 MET 2 HG1 MET 2 25.616 -0.848 1.822 14 HE1 MET 2 HE1 MET 2 25.267 2.915 0.605 15 HE2 MET 2 HE2 MET 2 25.264 2.678 -1.142 16 HE3 MET 2 HE3 MET 2 26.710 2.305 -0.203 17 H GLY 3 HN GLY 3 22.983 -0.172 5.491 18 HA2 GLY 3 HA2 GLY 3 22.458 0.788 7.518 19 HA3 GLY 3 HA1 GLY 3 23.441 2.169 7.051 20 H CYS 4 HN CYS 4 20.485 0.691 5.788 21 HA CYS 4 HA CYS 4 19.349 3.395 5.683 22 HB2 CYS 4 HB2 CYS 4 19.186 1.074 3.817 23 HB3 CYS 4 HB1 CYS 4 17.869 2.242 3.858 24 H LYS 5 HN LYS 5 17.315 3.771 6.267 25 HA LYS 5 HA LYS 5 16.137 2.513 8.367 26 HB2 LYS 5 HB2 LYS 5 15.741 4.794 7.274 27 HB3 LYS 5 HB1 LYS 5 14.531 3.906 6.389 28 HG2 LYS 5 HG2 LYS 5 13.545 5.045 8.288 29 HG3 LYS 5 HG1 LYS 5 13.388 3.297 8.417 30 HD2 LYS 5 HD2 LYS 5 13.980 4.063 10.572 31 HD3 LYS 5 HD1 LYS 5 15.438 3.346 9.901 32 HE2 LYS 5 HE2 LYS 5 14.881 6.297 9.752 33 HE3 LYS 5 HE1 LYS 5 15.679 5.562 11.139 34 HZ1 LYS 5 HZ1 LYS 5 17.343 4.667 9.513 35 HZ2 LYS 5 HZ2 LYS 5 17.359 6.344 9.716 36 HZ3 LYS 5 HZ3 LYS 5 16.647 5.673 8.342 37 H GLU 6 HN GLU 6 14.504 1.062 8.693 38 HA GLU 6 HA GLU 6 13.798 -0.813 6.716 39 HB2 GLU 6 HB2 GLU 6 13.721 -1.556 8.920 40 HB3 GLU 6 HB1 GLU 6 12.899 -0.113 9.487 41 HG2 GLU 6 HG2 GLU 6 10.892 -0.822 8.306 42 HG3 GLU 6 HG1 GLU 6 11.715 -2.301 7.820 43 H ILE 7 HN ILE 7 12.390 -0.512 5.105 44 HA ILE 7 HA ILE 7 10.834 1.918 4.986 45 HB ILE 7 HB ILE 7 10.907 -0.311 2.965 46 HG12 ILE 7 HG12 ILE 7 13.132 0.412 3.305 47 HG13 ILE 7 HG11 ILE 7 12.568 1.078 1.788 48 HG21 ILE 7 HG21 ILE 7 9.085 1.362 2.735 49 HG22 ILE 7 HG22 ILE 7 10.211 1.310 1.377 50 HG23 ILE 7 HG23 ILE 7 10.342 2.592 2.572 51 HD11 ILE 7 HD11 ILE 7 13.634 2.850 2.782 52 HD12 ILE 7 HD12 ILE 7 13.034 2.432 4.392 53 HD13 ILE 7 HD13 ILE 7 11.932 3.106 3.190 54 H GLU 8 HN GLU 8 8.574 2.017 4.762 55 HA GLU 8 HA GLU 8 7.179 -0.416 5.598 56 HB2 GLU 8 HB2 GLU 8 5.912 1.589 7.050 57 HB3 GLU 8 HB1 GLU 8 6.947 0.311 7.660 58 HG2 GLU 8 HG2 GLU 8 7.863 2.219 8.570 59 HG3 GLU 8 HG1 GLU 8 8.883 1.902 7.167 60 H ILE 9 HN ILE 9 4.934 -0.464 5.317 61 HA ILE 9 HA ILE 9 4.068 1.182 3.026 62 HB ILE 9 HB ILE 9 2.577 -1.274 3.369 63 HG12 ILE 9 HG12 ILE 9 4.842 -2.026 4.197 64 HG13 ILE 9 HG11 ILE 9 4.143 -2.928 2.861 65 HG21 ILE 9 HG21 ILE 9 2.988 -1.540 1.026 66 HG22 ILE 9 HG22 ILE 9 4.212 -0.281 1.095 67 HG23 ILE 9 HG23 ILE 9 2.521 0.123 1.381 68 HD11 ILE 9 HD11 ILE 9 5.450 -1.599 1.327 69 HD12 ILE 9 HD12 ILE 9 6.447 -2.531 2.445 70 HD13 ILE 9 HD13 ILE 9 6.214 -0.799 2.691 71 H VAL 10 HN VAL 10 2.403 2.537 3.507 72 HA VAL 10 HA VAL 10 0.605 1.755 5.692 73 HB VAL 10 HB VAL 10 0.875 3.849 6.372 74 HG11 VAL 10 HG11 VAL 10 1.842 5.665 5.018 75 HG12 VAL 10 HG12 VAL 10 1.845 4.588 3.623 76 HG13 VAL 10 HG13 VAL 10 2.836 4.209 5.028 77 HG21 VAL 10 HG21 VAL 10 -0.762 4.508 3.925 78 HG22 VAL 10 HG22 VAL 10 -0.558 5.556 5.328 79 HG23 VAL 10 HG23 VAL 10 -1.384 4.003 5.499 80 H ILE 11 HN ILE 11 -1.320 1.041 5.304 81 HA ILE 11 HA ILE 11 -2.629 1.776 2.789 82 HB ILE 11 HB ILE 11 -3.166 -0.544 4.633 83 HG12 ILE 11 HG12 ILE 11 -1.287 -1.008 3.274 84 HG13 ILE 11 HG11 ILE 11 -2.654 -1.870 2.567 85 HG21 ILE 11 HG21 ILE 11 -4.829 -1.204 2.793 86 HG22 ILE 11 HG22 ILE 11 -4.754 0.499 2.326 87 HG23 ILE 11 HG23 ILE 11 -5.301 0.050 3.945 88 HD11 ILE 11 HD11 ILE 11 -1.494 0.724 1.663 89 HD12 ILE 11 HD12 ILE 11 -2.943 -0.021 0.995 90 HD13 ILE 11 HD13 ILE 11 -1.382 -0.832 0.839 91 H LYS 12 HN LYS 12 -3.857 3.433 3.057 92 HA LYS 12 HA LYS 12 -5.183 3.936 5.633 93 HB2 LYS 12 HB2 LYS 12 -3.923 5.585 3.718 94 HB3 LYS 12 HB1 LYS 12 -5.665 5.943 3.608 95 HG2 LYS 12 HG2 LYS 12 -5.728 6.570 5.908 96 HG3 LYS 12 HG1 LYS 12 -4.063 6.032 6.154 97 HD2 LYS 12 HD2 LYS 12 -3.401 7.693 4.365 98 HD3 LYS 12 HD1 LYS 12 -5.038 8.337 4.483 99 HE2 LYS 12 HE2 LYS 12 -4.704 9.060 6.693 100 HE3 LYS 12 HE1 LYS 12 -3.252 8.075 6.881 101 HZ1 LYS 12 HZ1 LYS 12 -2.158 9.476 5.219 102 HZ2 LYS 12 HZ2 LYS 12 -2.651 10.372 6.572 103 HZ3 LYS 12 HZ3 LYS 12 -3.535 10.458 5.132 104 H ASN 13 HN ASN 13 -7.452 4.374 5.643 105 HA ASN 13 HA ASN 13 -8.911 3.778 3.198 106 HB2 ASN 13 HB2 ASN 13 -8.777 1.602 4.233 107 HB3 ASN 13 HB1 ASN 13 -9.302 2.265 5.779 108 HD21 ASN 13 HD21 ASN 13 -11.026 0.856 5.847 109 HD22 ASN 13 HD22 ASN 13 -12.426 1.078 4.845 110 H THR 14 HN THR 14 -10.478 5.177 2.933 111 HA THR 14 HA THR 14 -12.058 6.214 4.993 112 HB THR 14 HB THR 14 -10.128 7.366 5.765 113 HG1 THR 14 HG1 THR 14 -10.844 9.485 5.589 114 HG21 THR 14 HG21 THR 14 -8.938 8.877 4.159 115 HG22 THR 14 HG22 THR 14 -9.888 8.091 2.880 116 HG23 THR 14 HG23 THR 14 -8.755 7.140 3.868 117 H LEU 15 HN LEU 15 -13.574 5.619 3.203 118 HA LEU 15 HA LEU 15 -13.801 7.874 1.456 119 HB2 LEU 15 HB2 LEU 15 -15.830 5.642 1.761 120 HB3 LEU 15 HB1 LEU 15 -15.806 6.861 0.546 121 HG LEU 15 HG LEU 15 -13.961 5.913 -0.539 122 HD11 LEU 15 HD11 LEU 15 -12.805 3.994 0.295 123 HD12 LEU 15 HD12 LEU 15 -13.709 4.174 1.817 124 HD13 LEU 15 HD13 LEU 15 -12.659 5.483 1.239 125 HD21 LEU 15 HD21 LEU 15 -15.809 3.717 0.368 126 HD22 LEU 15 HD22 LEU 15 -14.784 3.671 -1.066 127 HD23 LEU 15 HD23 LEU 15 -16.114 4.825 -0.969 128 H GLY 16 HN GLY 16 -14.620 6.770 4.490 129 HA2 GLY 16 HA2 GLY 16 -16.049 8.693 5.689 130 HA3 GLY 16 HA1 GLY 16 -17.288 7.846 4.761 131 HA PRO 17 HA PRO 17 -16.592 5.858 8.984 132 HB2 PRO 17 HB2 PRO 17 -19.536 5.642 8.913 133 HB3 PRO 17 HB1 PRO 17 -18.483 6.260 10.189 134 HG2 PRO 17 HG2 PRO 17 -19.980 7.912 8.718 135 HG3 PRO 17 HG1 PRO 17 -18.345 8.368 9.235 136 HD2 PRO 17 HD2 PRO 17 -19.281 7.374 6.568 137 HD3 PRO 17 HD1 PRO 17 -18.133 8.676 6.944 138 H SER 18 HN SER 18 -16.284 3.738 9.271 139 HA SER 18 HA SER 18 -16.281 1.478 8.985 140 HB2 SER 18 HB2 SER 18 -19.181 1.911 8.213 141 HB3 SER 18 HB1 SER 18 -18.455 0.400 8.763 142 HG SER 18 HG SER 18 -19.233 2.628 10.203 143 H ARG 19 HN ARG 19 -15.347 2.936 6.787 144 HA ARG 19 HA ARG 19 -16.468 1.780 4.363 145 HB2 ARG 19 HB2 ARG 19 -14.659 3.952 5.073 146 HB3 ARG 19 HB1 ARG 19 -14.160 3.007 3.695 147 HG2 ARG 19 HG2 ARG 19 -15.548 5.061 3.280 148 HG3 ARG 19 HG1 ARG 19 -16.096 3.578 2.485 149 HD2 ARG 19 HD2 ARG 19 -17.770 3.260 4.200 150 HD3 ARG 19 HD1 ARG 19 -17.137 4.636 5.103 151 HE ARG 19 HE ARG 19 -17.897 5.470 2.517 152 HH11 ARG 19 HH11 ARG 19 -19.316 4.442 5.556 153 HH12 ARG 19 HH12 ARG 19 -20.796 5.314 5.294 154 HH21 ARG 19 HH21 ARG 19 -19.845 6.617 2.192 155 HH22 ARG 19 HH22 ARG 19 -21.094 6.544 3.395 156 H ILE 20 HN ILE 20 -15.249 0.076 6.221 157 HA ILE 20 HA ILE 20 -12.536 -0.416 5.967 158 HB ILE 20 HB ILE 20 -14.461 -2.580 6.710 159 HG12 ILE 20 HG12 ILE 20 -14.207 0.102 7.841 160 HG13 ILE 20 HG11 ILE 20 -15.474 -1.093 8.021 161 HG21 ILE 20 HG21 ILE 20 -11.769 -1.746 7.766 162 HG22 ILE 20 HG22 ILE 20 -12.104 -3.163 6.769 163 HG23 ILE 20 HG23 ILE 20 -12.756 -3.055 8.409 164 HD11 ILE 20 HD11 ILE 20 -14.419 -0.451 10.119 165 HD12 ILE 20 HD12 ILE 20 -12.897 -1.127 9.517 166 HD13 ILE 20 HD13 ILE 20 -14.294 -2.179 9.765 167 H LEU 21 HN LEU 21 -11.350 -1.307 4.454 168 HA LEU 21 HA LEU 21 -12.464 -3.604 2.995 169 HB2 LEU 21 HB2 LEU 21 -10.682 -2.999 1.139 170 HB3 LEU 21 HB1 LEU 21 -12.320 -2.335 1.108 171 HG LEU 21 HG LEU 21 -10.393 -0.788 0.532 172 HD11 LEU 21 HD11 LEU 21 -12.601 0.029 0.908 173 HD12 LEU 21 HD12 LEU 21 -11.436 1.119 1.662 174 HD13 LEU 21 HD13 LEU 21 -12.359 -0.008 2.656 175 HD21 LEU 21 HD21 LEU 21 -10.008 -0.810 3.521 176 HD22 LEU 21 HD22 LEU 21 -9.267 0.325 2.394 177 HD23 LEU 21 HD23 LEU 21 -8.857 -1.389 2.317 178 H GLN 22 HN GLN 22 -10.817 -5.094 2.218 179 HA GLN 22 HA GLN 22 -8.709 -5.324 4.224 180 HB2 GLN 22 HB2 GLN 22 -10.316 -7.090 4.374 181 HB3 GLN 22 HB1 GLN 22 -10.255 -7.368 2.640 182 HG2 GLN 22 HG2 GLN 22 -7.965 -8.133 2.846 183 HG3 GLN 22 HG1 GLN 22 -8.027 -7.872 4.588 184 HE21 GLN 22 HE21 GLN 22 -9.225 -9.783 1.933 185 HE22 GLN 22 HE22 GLN 22 -9.792 -11.113 2.887 186 H TYR 23 HN TYR 23 -6.737 -4.865 3.511 187 HA TYR 23 HA TYR 23 -6.122 -5.171 0.668 188 HB2 TYR 23 HB2 TYR 23 -4.212 -3.759 1.034 189 HB3 TYR 23 HB1 TYR 23 -5.607 -2.966 1.768 190 HD1 TYR 23 HD1 TYR 23 -5.890 -3.074 4.246 191 HD2 TYR 23 HD2 TYR 23 -2.385 -4.487 2.325 192 HE1 TYR 23 HE1 TYR 23 -4.711 -3.057 6.409 193 HE2 TYR 23 HE2 TYR 23 -1.184 -4.478 4.474 194 HH TYR 23 HH TYR 23 -2.716 -4.282 7.416 195 H HIS 24 HN HIS 24 -4.362 -6.355 -0.026 196 HA HIS 24 HA HIS 24 -2.994 -8.014 1.981 197 HB2 HIS 24 HB2 HIS 24 -4.422 -9.411 0.566 198 HB3 HIS 24 HB1 HIS 24 -3.698 -8.737 -0.870 199 HD1 HIS 24 HD1 HIS 24 -1.369 -9.514 1.892 200 HD2 HIS 24 HD2 HIS 24 -2.827 -11.379 -1.535 201 HE1 HIS 24 HE1 HIS 24 0.148 -11.481 1.486 202 HE2 HIS 24 HE2 HIS 24 -0.691 -12.532 -0.642 203 H CYS 25 HN CYS 25 -1.172 -6.774 2.214 204 HA CYS 25 HA CYS 25 0.337 -6.386 -0.257 205 HB2 CYS 25 HB2 CYS 25 -0.322 -4.424 1.412 206 HB3 CYS 25 HB1 CYS 25 1.122 -4.979 2.248 207 H ARG 26 HN ARG 26 2.366 -7.183 -0.446 208 HA ARG 26 HA ARG 26 3.614 -8.573 1.777 209 HB2 ARG 26 HB2 ARG 26 3.750 -10.713 0.583 210 HB3 ARG 26 HB1 ARG 26 2.080 -10.275 0.913 211 HG2 ARG 26 HG2 ARG 26 1.649 -9.759 -1.319 212 HG3 ARG 26 HG1 ARG 26 3.364 -9.642 -1.717 213 HD2 ARG 26 HD2 ARG 26 2.026 -12.197 -0.859 214 HD3 ARG 26 HD1 ARG 26 2.202 -11.713 -2.544 215 HE ARG 26 HE ARG 26 4.736 -11.565 -1.584 216 HH11 ARG 26 HH11 ARG 26 2.291 -14.065 -1.499 217 HH12 ARG 26 HH12 ARG 26 3.433 -15.369 -1.590 218 HH21 ARG 26 HH21 ARG 26 6.251 -13.281 -1.723 219 HH22 ARG 26 HH22 ARG 26 5.687 -14.920 -1.720 220 H SER 27 HN SER 27 5.792 -9.164 1.337 221 HA SER 27 HA SER 27 7.026 -7.668 -0.815 222 HB2 SER 27 HB2 SER 27 8.060 -7.776 1.463 223 HB3 SER 27 HB1 SER 27 8.307 -9.506 1.230 224 HG SER 27 HG SER 27 10.190 -8.503 0.647 225 H GLY 28 HN GLY 28 8.674 -8.807 -2.192 226 HA2 GLY 28 HA2 GLY 28 7.554 -10.886 -3.675 227 HA3 GLY 28 HA1 GLY 28 9.263 -10.449 -3.682 228 H ASN 29 HN ASN 29 9.968 -10.944 -1.109 229 HA ASN 29 HA ASN 29 9.815 -13.867 -1.011 230 HB2 ASN 29 HB2 ASN 29 12.049 -12.979 -0.864 231 HB3 ASN 29 HB1 ASN 29 11.590 -11.907 0.454 232 HD21 ASN 29 HD21 ASN 29 12.351 -15.174 -0.451 233 HD22 ASN 29 HD22 ASN 29 12.523 -15.792 1.155 234 H THR 30 HN THR 30 9.486 -11.157 1.297 235 HA THR 30 HA THR 30 8.463 -12.976 3.294 236 HB THR 30 HB THR 30 8.650 -10.004 3.609 237 HG1 THR 30 HG1 THR 30 10.855 -10.984 4.549 238 HG21 THR 30 HG21 THR 30 9.104 -10.584 5.938 239 HG22 THR 30 HG22 THR 30 9.033 -12.299 5.534 240 HG23 THR 30 HG23 THR 30 7.583 -11.302 5.405 241 H ASN 31 HN ASN 31 6.372 -13.523 3.302 242 HA ASN 31 HA ASN 31 4.351 -11.585 2.445 243 HB2 ASN 31 HB2 ASN 31 4.168 -13.895 1.593 244 HB3 ASN 31 HB1 ASN 31 4.061 -14.495 3.245 245 HD21 ASN 31 HD21 ASN 31 2.047 -15.410 2.906 246 HD22 ASN 31 HD22 ASN 31 0.612 -14.460 2.749 247 H VAL 32 HN VAL 32 2.789 -10.759 3.841 248 HA VAL 32 HA VAL 32 3.419 -11.131 6.645 249 HB VAL 32 HB VAL 32 3.922 -9.017 6.643 250 HG11 VAL 32 HG11 VAL 32 3.704 -9.216 4.204 251 HG12 VAL 32 HG12 VAL 32 3.520 -7.584 4.859 252 HG13 VAL 32 HG13 VAL 32 2.101 -8.507 4.346 253 HG21 VAL 32 HG21 VAL 32 2.122 -7.524 7.185 254 HG22 VAL 32 HG22 VAL 32 1.791 -9.111 7.888 255 HG23 VAL 32 HG23 VAL 32 0.948 -8.602 6.426 256 H GLY 33 HN GLY 33 0.686 -10.668 4.429 257 HA2 GLY 33 HA2 GLY 33 -1.121 -12.322 5.305 258 HA3 GLY 33 HA1 GLY 33 -1.134 -11.173 6.634 259 H VAL 34 HN VAL 34 -3.390 -11.049 5.918 260 HA VAL 34 HA VAL 34 -3.707 -8.994 3.851 261 HB VAL 34 HB VAL 34 -5.475 -11.435 4.127 262 HG11 VAL 34 HG11 VAL 34 -6.750 -9.581 3.346 263 HG12 VAL 34 HG12 VAL 34 -6.399 -10.606 1.954 264 HG13 VAL 34 HG13 VAL 34 -5.489 -9.115 2.209 265 HG21 VAL 34 HG21 VAL 34 -3.746 -10.830 1.762 266 HG22 VAL 34 HG22 VAL 34 -4.408 -12.382 2.300 267 HG23 VAL 34 HG23 VAL 34 -3.054 -11.641 3.174 268 H GLN 35 HN GLN 35 -4.177 -7.373 5.303 269 HA GLN 35 HA GLN 35 -6.025 -7.907 7.509 270 HB2 GLN 35 HB2 GLN 35 -3.765 -6.055 7.083 271 HB3 GLN 35 HB1 GLN 35 -5.059 -5.545 8.157 272 HG2 GLN 35 HG2 GLN 35 -3.300 -6.588 9.388 273 HG3 GLN 35 HG1 GLN 35 -4.755 -7.549 9.490 274 HE21 GLN 35 HE21 GLN 35 -4.750 -9.604 8.708 275 HE22 GLN 35 HE22 GLN 35 -3.332 -10.396 8.115 276 H TYR 36 HN TYR 36 -7.633 -6.343 8.089 277 HA TYR 36 HA TYR 36 -8.539 -4.644 5.899 278 HB2 TYR 36 HB2 TYR 36 -10.634 -4.393 7.120 279 HB3 TYR 36 HB1 TYR 36 -10.277 -6.067 6.724 280 HD1 TYR 36 HD1 TYR 36 -9.177 -7.468 8.530 281 HD2 TYR 36 HD2 TYR 36 -11.086 -3.783 9.215 282 HE1 TYR 36 HE1 TYR 36 -9.378 -8.060 10.904 283 HE2 TYR 36 HE2 TYR 36 -11.321 -4.319 11.619 284 HH TYR 36 HH TYR 36 -9.662 -6.951 13.061 285 H LEU 37 HN LEU 37 -9.296 -2.451 6.434 286 HA LEU 37 HA LEU 37 -7.955 -1.357 8.784 287 HB2 LEU 37 HB2 LEU 37 -6.545 -1.129 6.669 288 HB3 LEU 37 HB1 LEU 37 -7.777 -0.033 6.080 289 HG LEU 37 HG LEU 37 -5.576 0.843 7.266 290 HD11 LEU 37 HD11 LEU 37 -8.307 2.011 7.720 291 HD12 LEU 37 HD12 LEU 37 -7.264 2.278 6.323 292 HD13 LEU 37 HD13 LEU 37 -6.781 2.872 7.912 293 HD21 LEU 37 HD21 LEU 37 -6.012 -0.416 9.353 294 HD22 LEU 37 HD22 LEU 37 -7.463 0.556 9.597 295 HD23 LEU 37 HD23 LEU 37 -5.876 1.323 9.602 296 H ASN 38 HN ASN 38 -9.173 -0.042 9.878 297 HA ASN 38 HA ASN 38 -11.870 0.483 9.013 298 HB2 ASN 38 HB2 ASN 38 -10.434 1.298 11.551 299 HB3 ASN 38 HB1 ASN 38 -12.156 1.447 11.266 300 HD21 ASN 38 HD21 ASN 38 -12.678 0.198 13.016 301 HD22 ASN 38 HD22 ASN 38 -12.440 -1.514 13.046 302 H PHE 39 HN PHE 39 -12.812 2.643 9.311 303 HA PHE 39 HA PHE 39 -11.194 4.624 7.989 304 HB2 PHE 39 HB2 PHE 39 -13.401 4.649 7.241 305 HB3 PHE 39 HB1 PHE 39 -14.037 4.527 8.870 306 HD1 PHE 39 HD1 PHE 39 -12.108 6.817 6.685 307 HD2 PHE 39 HD2 PHE 39 -14.838 6.458 9.944 308 HE1 PHE 39 HE1 PHE 39 -12.371 9.256 6.728 309 HE2 PHE 39 HE2 PHE 39 -15.096 8.904 9.979 310 HZ PHE 39 HZ PHE 39 -13.930 10.294 8.460 311 H LYS 40 HN LYS 40 -9.680 5.536 9.174 312 HA LYS 40 HA LYS 40 -10.264 7.425 11.138 313 HB2 LYS 40 HB2 LYS 40 -10.715 5.409 12.538 314 HB3 LYS 40 HB1 LYS 40 -9.046 4.924 12.294 315 HG2 LYS 40 HG2 LYS 40 -8.284 6.962 13.400 316 HG3 LYS 40 HG1 LYS 40 -9.960 7.449 13.652 317 HD2 LYS 40 HD2 LYS 40 -10.314 5.393 14.980 318 HD3 LYS 40 HD1 LYS 40 -8.604 5.005 14.789 319 HE2 LYS 40 HE2 LYS 40 -9.730 7.463 16.127 320 HE3 LYS 40 HE1 LYS 40 -9.038 6.066 16.946 321 HZ1 LYS 40 HZ1 LYS 40 -7.458 7.887 16.784 322 HZ2 LYS 40 HZ2 LYS 40 -7.577 7.876 15.100 323 HZ3 LYS 40 HZ3 LYS 40 -6.915 6.547 15.907 324 H GLY 41 HN GLY 41 -7.723 4.992 10.548 325 HA2 GLY 41 HA2 GLY 41 -5.853 7.206 10.092 326 HA3 GLY 41 HA1 GLY 41 -5.476 6.005 11.312 327 H THR 42 HN THR 42 -4.245 4.374 10.698 328 HA THR 42 HA THR 42 -3.976 3.755 7.833 329 HB THR 42 HB THR 42 -1.418 3.756 8.355 330 HG1 THR 42 HG1 THR 42 -2.536 5.298 10.435 331 HG21 THR 42 HG21 THR 42 -2.406 5.177 6.689 332 HG22 THR 42 HG22 THR 42 -1.274 6.125 7.655 333 HG23 THR 42 HG23 THR 42 -3.010 6.279 7.929 334 H ARG 43 HN ARG 43 -2.746 1.810 7.433 335 HA ARG 43 HA ARG 43 -2.334 0.053 9.750 336 HB2 ARG 43 HB2 ARG 43 -4.126 -0.405 7.580 337 HB3 ARG 43 HB1 ARG 43 -2.770 -1.501 7.386 338 HG2 ARG 43 HG2 ARG 43 -4.325 -1.255 9.949 339 HG3 ARG 43 HG1 ARG 43 -4.723 -2.407 8.678 340 HD2 ARG 43 HD2 ARG 43 -3.430 -3.603 10.235 341 HD3 ARG 43 HD1 ARG 43 -2.346 -3.255 8.894 342 HE ARG 43 HE ARG 43 -2.282 -1.407 11.147 343 HH11 ARG 43 HH11 ARG 43 -0.824 -4.142 9.506 344 HH12 ARG 43 HH12 ARG 43 0.692 -3.993 10.329 345 HH21 ARG 43 HH21 ARG 43 -0.270 -1.226 12.243 346 HH22 ARG 43 HH22 ARG 43 1.006 -2.345 11.883 347 H ILE 44 HN ILE 44 -0.166 -0.173 9.903 348 HA ILE 44 HA ILE 44 1.301 0.302 7.417 349 HB ILE 44 HB ILE 44 2.248 0.903 10.212 350 HG12 ILE 44 HG12 ILE 44 2.170 3.260 8.983 351 HG13 ILE 44 HG11 ILE 44 0.898 2.463 8.077 352 HG21 ILE 44 HG21 ILE 44 4.154 1.885 9.183 353 HG22 ILE 44 HG22 ILE 44 3.441 1.706 7.581 354 HG23 ILE 44 HG23 ILE 44 3.972 0.274 8.473 355 HD11 ILE 44 HD11 ILE 44 -0.002 3.743 9.942 356 HD12 ILE 44 HD12 ILE 44 0.968 2.792 11.067 357 HD13 ILE 44 HD13 ILE 44 -0.315 2.019 10.137 358 H ILE 45 HN ILE 45 2.353 -1.178 6.602 359 HA ILE 45 HA ILE 45 3.302 -3.499 8.026 360 HB ILE 45 HB ILE 45 3.594 -2.707 5.212 361 HG12 ILE 45 HG12 ILE 45 1.716 -4.658 6.369 362 HG13 ILE 45 HG11 ILE 45 1.322 -2.974 6.092 363 HG21 ILE 45 HG21 ILE 45 4.053 -5.325 6.583 364 HG22 ILE 45 HG22 ILE 45 5.250 -4.338 5.738 365 HG23 ILE 45 HG23 ILE 45 3.957 -5.126 4.835 366 HD11 ILE 45 HD11 ILE 45 1.847 -5.115 4.152 367 HD12 ILE 45 HD12 ILE 45 2.290 -3.455 3.747 368 HD13 ILE 45 HD13 ILE 45 0.608 -3.857 4.134 369 H LYS 46 HN LYS 46 5.579 -4.096 7.881 370 HA LYS 46 HA LYS 46 7.339 -1.934 7.011 371 HB2 LYS 46 HB2 LYS 46 7.800 -3.335 9.655 372 HB3 LYS 46 HB1 LYS 46 8.748 -2.023 8.980 373 HG2 LYS 46 HG2 LYS 46 6.647 -0.608 9.178 374 HG3 LYS 46 HG1 LYS 46 5.992 -1.917 10.158 375 HD2 LYS 46 HD2 LYS 46 8.544 -0.407 10.715 376 HD3 LYS 46 HD1 LYS 46 7.007 -0.170 11.545 377 HE2 LYS 46 HE2 LYS 46 7.119 -2.248 12.598 378 HE3 LYS 46 HE1 LYS 46 8.309 -2.866 11.456 379 HZ1 LYS 46 HZ1 LYS 46 9.280 -2.358 13.616 380 HZ2 LYS 46 HZ2 LYS 46 8.818 -0.741 13.460 381 HZ3 LYS 46 HZ3 LYS 46 9.954 -1.400 12.391 382 H PHE 47 HN PHE 47 9.226 -2.587 6.109 383 HA PHE 47 HA PHE 47 10.097 -5.360 6.487 384 HB2 PHE 47 HB2 PHE 47 9.488 -4.123 3.805 385 HB3 PHE 47 HB1 PHE 47 10.571 -5.496 3.981 386 HD1 PHE 47 HD1 PHE 47 7.278 -4.533 3.351 387 HD2 PHE 47 HD2 PHE 47 9.551 -7.510 5.369 388 HE1 PHE 47 HE1 PHE 47 5.350 -6.054 3.277 389 HE2 PHE 47 HE2 PHE 47 7.629 -9.030 5.293 390 HZ PHE 47 HZ PHE 47 5.528 -8.309 4.243 391 H LYS 48 HN LYS 48 12.258 -5.551 6.629 392 HA LYS 48 HA LYS 48 13.839 -3.149 6.001 393 HB2 LYS 48 HB2 LYS 48 15.226 -3.658 7.984 394 HB3 LYS 48 HB1 LYS 48 13.561 -3.263 8.375 395 HG2 LYS 48 HG2 LYS 48 13.087 -5.687 8.599 396 HG3 LYS 48 HG1 LYS 48 14.809 -5.997 8.354 397 HD2 LYS 48 HD2 LYS 48 15.336 -4.644 10.316 398 HD3 LYS 48 HD1 LYS 48 13.621 -4.315 10.558 399 HE2 LYS 48 HE2 LYS 48 14.961 -7.012 10.682 400 HE3 LYS 48 HE1 LYS 48 14.385 -6.073 12.055 401 HZ1 LYS 48 HZ1 LYS 48 12.826 -7.809 11.449 402 HZ2 LYS 48 HZ2 LYS 48 12.686 -7.185 9.889 403 HZ3 LYS 48 HZ3 LYS 48 12.131 -6.287 11.211 404 H ASP 49 HN ASP 49 15.649 -3.418 4.880 405 HA ASP 49 HA ASP 49 17.260 -4.351 3.591 406 HB2 ASP 49 HB2 ASP 49 17.932 -5.069 5.976 407 HB3 ASP 49 HB1 ASP 49 17.335 -6.663 5.524 408 H ASP 50 HN ASP 50 17.891 -7.082 3.069 409 HA ASP 50 HA ASP 50 17.378 -8.655 1.508 410 HB2 ASP 50 HB2 ASP 50 16.156 -9.525 3.461 411 HB3 ASP 50 HB1 ASP 50 14.738 -8.635 2.938 412 H GLY 51 HN GLY 51 17.527 -7.048 -0.165 413 HA2 GLY 51 HA2 GLY 51 15.368 -5.403 -0.932 414 HA3 GLY 51 HA1 GLY 51 16.809 -5.715 -1.881 415 H THR 52 HN THR 52 16.212 -8.627 -1.845 416 HA THR 52 HA THR 52 15.300 -10.185 -3.174 417 HB THR 52 HB THR 52 12.940 -10.250 -3.552 418 HG1 THR 52 HG1 THR 52 13.078 -7.590 -3.306 419 HG21 THR 52 HG21 THR 52 13.799 -10.990 -1.426 420 HG22 THR 52 HG22 THR 52 12.215 -10.243 -1.211 421 HG23 THR 52 HG23 THR 52 13.677 -9.354 -0.780 422 H GLU 53 HN GLU 53 15.477 -10.702 -5.184 423 HA GLU 53 HA GLU 53 15.446 -8.634 -7.212 424 HB2 GLU 53 HB2 GLU 53 17.380 -10.080 -7.103 425 HB3 GLU 53 HB1 GLU 53 16.364 -11.511 -7.170 426 HG2 GLU 53 HG2 GLU 53 15.677 -10.903 -9.415 427 HG3 GLU 53 HG1 GLU 53 16.730 -9.493 -9.351 428 H ARG 54 HN ARG 54 13.481 -11.072 -5.922 429 HA ARG 54 HA ARG 54 12.163 -12.010 -8.238 430 HB2 ARG 54 HB2 ARG 54 11.137 -11.866 -5.396 431 HB3 ARG 54 HB1 ARG 54 10.459 -12.852 -6.682 432 HG2 ARG 54 HG2 ARG 54 13.276 -13.143 -5.680 433 HG3 ARG 54 HG1 ARG 54 11.914 -14.069 -5.054 434 HD2 ARG 54 HD2 ARG 54 12.720 -14.018 -7.953 435 HD3 ARG 54 HD1 ARG 54 13.279 -15.229 -6.803 436 HE ARG 54 HE ARG 54 10.490 -15.163 -6.687 437 HH11 ARG 54 HH11 ARG 54 13.014 -15.997 -8.953 438 HH12 ARG 54 HH12 ARG 54 12.077 -17.220 -9.747 439 HH21 ARG 54 HH21 ARG 54 9.247 -16.772 -7.724 440 HH22 ARG 54 HH22 ARG 54 9.928 -17.663 -9.048 441 H SER 55 HN SER 55 11.153 -9.582 -5.821 442 HA SER 55 HA SER 55 9.993 -7.869 -7.729 443 HB2 SER 55 HB2 SER 55 8.102 -9.470 -5.972 444 HB3 SER 55 HB1 SER 55 7.649 -8.015 -6.857 445 HG SER 55 HG SER 55 8.854 -9.885 -8.443 446 H ARG 56 HN ARG 56 8.141 -7.873 -4.999 447 HA ARG 56 HA ARG 56 9.571 -6.877 -2.912 448 HB2 ARG 56 HB2 ARG 56 10.066 -5.262 -4.987 449 HB3 ARG 56 HB1 ARG 56 8.600 -4.472 -4.400 450 HG2 ARG 56 HG2 ARG 56 10.501 -3.383 -3.416 451 HG3 ARG 56 HG1 ARG 56 9.638 -4.274 -2.160 452 HD2 ARG 56 HD2 ARG 56 11.273 -6.160 -2.577 453 HD3 ARG 56 HD1 ARG 56 12.204 -5.018 -3.537 454 HE ARG 56 HE ARG 56 12.290 -3.653 -1.423 455 HH11 ARG 56 HH11 ARG 56 11.875 -7.122 -1.362 456 HH12 ARG 56 HH12 ARG 56 12.736 -7.335 0.130 457 HH21 ARG 56 HH21 ARG 56 13.411 -3.929 0.582 458 HH22 ARG 56 HH22 ARG 56 13.591 -5.523 1.244 459 H TRP 57 HN TRP 57 7.645 -4.372 -2.971 460 HA TRP 57 HA TRP 57 5.610 -5.924 -1.577 461 HB2 TRP 57 HB2 TRP 57 6.125 -2.947 -1.402 462 HB3 TRP 57 HB1 TRP 57 5.213 -3.953 -0.272 463 HD1 TRP 57 HD1 TRP 57 7.050 -6.254 0.378 464 HE1 TRP 57 HE1 TRP 57 9.344 -5.977 1.478 465 HE3 TRP 57 HE3 TRP 57 7.906 -1.346 -0.732 466 HZ2 TRP 57 HZ2 TRP 57 11.251 -3.948 1.878 467 HZ3 TRP 57 HZ3 TRP 57 9.988 -0.311 0.058 468 HH2 TRP 57 HH2 TRP 57 11.628 -1.585 1.338 469 H ASN 58 HN ASN 58 3.590 -6.071 -2.270 470 HA ASN 58 HA ASN 58 2.466 -3.930 -3.906 471 HB2 ASN 58 HB2 ASN 58 1.462 -5.471 -5.503 472 HB3 ASN 58 HB1 ASN 58 3.210 -5.640 -5.522 473 HD21 ASN 58 HD21 ASN 58 1.147 -7.477 -6.411 474 HD22 ASN 58 HD22 ASN 58 1.391 -8.943 -5.528 475 H CYS 59 HN CYS 59 0.434 -3.421 -3.315 476 HA CYS 59 HA CYS 59 -0.787 -5.083 -1.205 477 HB2 CYS 59 HB2 CYS 59 -1.372 -2.167 -1.722 478 HB3 CYS 59 HB1 CYS 59 -1.757 -3.103 -0.285 479 H LEU 60 HN LEU 60 -2.775 -5.976 -1.656 480 HA LEU 60 HA LEU 60 -4.169 -4.906 -4.005 481 HB2 LEU 60 HB2 LEU 60 -3.864 -7.811 -3.210 482 HB3 LEU 60 HB1 LEU 60 -4.892 -7.228 -4.499 483 HG LEU 60 HG LEU 60 -2.691 -6.266 -5.500 484 HD11 LEU 60 HD11 LEU 60 -0.709 -7.590 -4.959 485 HD12 LEU 60 HD12 LEU 60 -1.602 -8.395 -3.670 486 HD13 LEU 60 HD13 LEU 60 -1.274 -6.666 -3.568 487 HD21 LEU 60 HD21 LEU 60 -3.972 -8.013 -6.555 488 HD22 LEU 60 HD22 LEU 60 -3.300 -9.215 -5.453 489 HD23 LEU 60 HD23 LEU 60 -2.257 -8.412 -6.626 490 H PHE 61 HN PHE 61 -6.293 -4.518 -3.659 491 HA PHE 61 HA PHE 61 -7.137 -4.992 -0.891 492 HB2 PHE 61 HB2 PHE 61 -8.032 -3.065 -3.035 493 HB3 PHE 61 HB1 PHE 61 -9.055 -3.342 -1.644 494 HD1 PHE 61 HD1 PHE 61 -5.337 -3.012 -1.929 495 HD2 PHE 61 HD2 PHE 61 -8.944 -1.338 -0.440 496 HE1 PHE 61 HE1 PHE 61 -4.073 -1.226 -0.908 497 HE2 PHE 61 HE2 PHE 61 -7.673 0.492 0.571 498 HZ PHE 61 HZ PHE 61 -5.218 0.537 0.363 499 H ARG 62 HN ARG 62 -8.734 -6.536 -0.487 500 HA ARG 62 HA ARG 62 -10.167 -7.765 -2.661 501 HB2 ARG 62 HB2 ARG 62 -8.762 -9.800 -2.811 502 HB3 ARG 62 HB1 ARG 62 -7.960 -8.358 -3.419 503 HG2 ARG 62 HG2 ARG 62 -6.478 -8.274 -1.652 504 HG3 ARG 62 HG1 ARG 62 -7.523 -9.222 -0.594 505 HD2 ARG 62 HD2 ARG 62 -5.568 -10.499 -1.317 506 HD3 ARG 62 HD1 ARG 62 -7.068 -11.217 -1.893 507 HE ARG 62 HE ARG 62 -6.106 -9.543 -3.902 508 HH11 ARG 62 HH11 ARG 62 -5.179 -12.472 -2.240 509 HH12 ARG 62 HH12 ARG 62 -4.330 -13.134 -3.600 510 HH21 ARG 62 HH21 ARG 62 -4.987 -10.410 -5.710 511 HH22 ARG 62 HH22 ARG 62 -4.212 -11.955 -5.571 512 H GLN 63 HN GLN 63 -11.440 -9.472 -2.019 513 HA GLN 63 HA GLN 63 -10.794 -10.772 0.535 514 HB2 GLN 63 HB2 GLN 63 -12.847 -9.379 0.792 515 HB3 GLN 63 HB1 GLN 63 -13.605 -10.320 -0.488 516 HG2 GLN 63 HG2 GLN 63 -13.350 -12.346 0.873 517 HG3 GLN 63 HG1 GLN 63 -12.641 -11.376 2.160 518 HE21 GLN 63 HE21 GLN 63 -14.250 -11.979 3.592 519 HE22 GLN 63 HE22 GLN 63 -15.853 -11.337 3.496 520 H GLY 64 HN GLY 64 -11.762 -10.938 -2.764 521 HA2 GLY 64 HA2 GLY 64 -11.163 -12.665 -4.206 522 HA3 GLY 64 HA1 GLY 64 -10.956 -13.734 -2.829 523 H ILE 65 HN ILE 65 -13.161 -12.415 -5.147 524 HA ILE 65 HA ILE 65 -14.870 -14.648 -4.906 525 HB ILE 65 HB ILE 65 -15.829 -13.628 -3.107 526 HG12 ILE 65 HG12 ILE 65 -18.068 -12.784 -3.829 527 HG13 ILE 65 HG11 ILE 65 -17.476 -12.749 -5.485 528 HG21 ILE 65 HG21 ILE 65 -16.010 -10.978 -4.438 529 HG22 ILE 65 HG22 ILE 65 -14.572 -11.519 -3.578 530 HG23 ILE 65 HG23 ILE 65 -16.111 -11.371 -2.721 531 HD11 ILE 65 HD11 ILE 65 -17.131 -15.166 -5.406 532 HD12 ILE 65 HD12 ILE 65 -18.806 -14.731 -5.072 533 HD13 ILE 65 HD13 ILE 65 -17.735 -15.193 -3.750 534 H ASN 66 HN ASN 66 -15.842 -11.420 -5.926 535 HA ASN 66 HA ASN 66 -15.844 -12.338 -8.719 536 HB2 ASN 66 HB2 ASN 66 -17.587 -10.271 -7.343 537 HB3 ASN 66 HB1 ASN 66 -17.605 -10.591 -9.073 538 HD21 ASN 66 HD21 ASN 66 -19.754 -10.843 -7.135 539 HD22 ASN 66 HD22 ASN 66 -20.272 -12.490 -7.203 540 H MET 67 HN MET 67 -16.225 -9.609 -9.734 541 HA MET 67 HA MET 67 -13.583 -8.535 -9.417 542 HB2 MET 67 HB2 MET 67 -16.057 -7.576 -10.825 543 HB3 MET 67 HB1 MET 67 -14.670 -6.513 -10.629 544 HG2 MET 67 HG2 MET 67 -14.649 -9.200 -11.984 545 HG3 MET 67 HG1 MET 67 -14.647 -7.630 -12.789 546 HE1 MET 67 HE1 MET 67 -12.488 -9.989 -13.288 547 HE2 MET 67 HE2 MET 67 -11.016 -9.026 -13.414 548 HE3 MET 67 HE3 MET 67 -12.507 -8.462 -14.169 549 H LYS 68 HN LYS 68 -16.441 -8.393 -7.660 550 HA LYS 68 HA LYS 68 -16.034 -5.925 -6.289 551 HB2 LYS 68 HB2 LYS 68 -17.388 -8.344 -5.105 552 HB3 LYS 68 HB1 LYS 68 -17.743 -6.648 -4.820 553 HG2 LYS 68 HG2 LYS 68 -18.256 -8.096 -7.409 554 HG3 LYS 68 HG1 LYS 68 -19.460 -7.813 -6.156 555 HD2 LYS 68 HD2 LYS 68 -17.943 -5.603 -7.531 556 HD3 LYS 68 HD1 LYS 68 -19.503 -6.203 -8.088 557 HE2 LYS 68 HE2 LYS 68 -20.408 -5.684 -5.805 558 HE3 LYS 68 HE1 LYS 68 -18.876 -4.885 -5.455 559 HZ1 LYS 68 HZ1 LYS 68 -20.572 -3.322 -6.193 560 HZ2 LYS 68 HZ2 LYS 68 -20.728 -4.156 -7.655 561 HZ3 LYS 68 HZ3 LYS 68 -19.281 -3.372 -7.283 562 H PHE 69 HN PHE 69 -15.210 -5.713 -4.095 563 HA PHE 69 HA PHE 69 -13.504 -5.913 -2.575 564 HB2 PHE 69 HB2 PHE 69 -13.984 -8.887 -2.967 565 HB3 PHE 69 HB1 PHE 69 -13.122 -8.151 -1.626 566 HD1 PHE 69 HD1 PHE 69 -14.291 -7.180 0.208 567 HD2 PHE 69 HD2 PHE 69 -16.417 -8.688 -3.152 568 HE1 PHE 69 HE1 PHE 69 -16.383 -7.093 1.497 569 HE2 PHE 69 HE2 PHE 69 -18.515 -8.594 -1.875 570 HZ PHE 69 HZ PHE 69 -18.500 -7.797 0.457 571 H PHE 70 HN PHE 70 -12.384 -5.321 -4.949 572 HA PHE 70 HA PHE 70 -9.910 -6.769 -4.904 573 HB2 PHE 70 HB2 PHE 70 -11.854 -7.278 -7.002 574 HB3 PHE 70 HB1 PHE 70 -10.228 -6.966 -7.575 575 HD1 PHE 70 HD1 PHE 70 -8.513 -8.168 -5.633 576 HD2 PHE 70 HD2 PHE 70 -12.275 -9.493 -7.064 577 HE1 PHE 70 HE1 PHE 70 -7.897 -10.465 -5.108 578 HE2 PHE 70 HE2 PHE 70 -11.684 -11.771 -6.561 579 HZ PHE 70 HZ PHE 70 -9.391 -12.235 -5.389 580 H THR 71 HN THR 71 -8.269 -5.764 -5.720 581 HA THR 71 HA THR 71 -8.205 -3.478 -7.319 582 HB THR 71 HB THR 71 -8.887 -3.056 -4.599 583 HG1 THR 71 HG1 THR 71 -8.631 -1.135 -6.629 584 HG21 THR 71 HG21 THR 71 -7.418 -1.347 -3.918 585 HG22 THR 71 HG22 THR 71 -6.730 -1.192 -5.538 586 HG23 THR 71 HG23 THR 71 -6.354 -2.610 -4.546 587 H GLU 72 HN GLU 72 -5.972 -2.733 -7.573 588 HA GLU 72 HA GLU 72 -4.050 -4.452 -6.197 589 HB2 GLU 72 HB2 GLU 72 -4.732 -5.567 -8.286 590 HB3 GLU 72 HB1 GLU 72 -4.257 -4.146 -9.197 591 HG2 GLU 72 HG2 GLU 72 -1.942 -4.490 -8.577 592 HG3 GLU 72 HG1 GLU 72 -2.399 -5.871 -7.580 593 H VAL 73 HN VAL 73 -2.661 -3.104 -5.276 594 HA VAL 73 HA VAL 73 -1.822 -0.692 -6.750 595 HB VAL 73 HB VAL 73 -1.419 -0.817 -3.825 596 HG11 VAL 73 HG11 VAL 73 -2.233 1.368 -5.726 597 HG12 VAL 73 HG12 VAL 73 -0.614 1.070 -5.093 598 HG13 VAL 73 HG13 VAL 73 -1.906 1.581 -4.007 599 HG21 VAL 73 HG21 VAL 73 -3.680 0.058 -3.369 600 HG22 VAL 73 HG22 VAL 73 -3.686 -1.618 -3.926 601 HG23 VAL 73 HG23 VAL 73 -4.125 -0.319 -5.039 602 H GLU 74 HN GLU 74 0.311 -0.682 -7.305 603 HA GLU 74 HA GLU 74 2.109 -2.604 -6.153 604 HB2 GLU 74 HB2 GLU 74 2.466 -0.369 -8.151 605 HB3 GLU 74 HB1 GLU 74 3.817 -1.301 -7.543 606 HG2 GLU 74 HG2 GLU 74 3.316 -2.328 -9.551 607 HG3 GLU 74 HG1 GLU 74 2.512 -3.352 -8.365 608 H ALA 75 HN ALA 75 2.252 -2.120 -3.991 609 HA ALA 75 HA ALA 75 2.861 0.216 -2.680 610 HB1 ALA 75 HB1 ALA 75 2.572 -1.873 -1.500 611 HB2 ALA 75 HB2 ALA 75 4.146 -1.179 -1.095 612 HB3 ALA 75 HB3 ALA 75 4.039 -2.521 -2.233 613 H TYR 76 HN TYR 76 5.194 -2.081 -4.080 614 HA TYR 76 HA TYR 76 6.901 0.102 -4.909 615 HB2 TYR 76 HB2 TYR 76 7.335 -0.749 -2.408 616 HB3 TYR 76 HB1 TYR 76 8.290 -1.956 -3.276 617 HD1 TYR 76 HD1 TYR 76 9.422 -0.422 -5.488 618 HD2 TYR 76 HD2 TYR 76 8.867 0.705 -1.430 619 HE1 TYR 76 HE1 TYR 76 11.302 1.134 -5.669 620 HE2 TYR 76 HE2 TYR 76 10.732 2.268 -1.601 621 HH TYR 76 HH TYR 76 12.761 2.541 -2.965 622 H ARG 77 HN ARG 77 7.508 -0.429 -6.883 623 HA ARG 77 HA ARG 77 7.625 -3.181 -7.747 624 HB2 ARG 77 HB2 ARG 77 8.331 -0.602 -9.171 625 HB3 ARG 77 HB1 ARG 77 8.286 -2.190 -9.930 626 HG2 ARG 77 HG2 ARG 77 5.905 -2.374 -9.370 627 HG3 ARG 77 HG1 ARG 77 5.960 -0.760 -8.665 628 HD2 ARG 77 HD2 ARG 77 6.570 0.170 -10.836 629 HD3 ARG 77 HD1 ARG 77 6.539 -1.446 -11.543 630 HE ARG 77 HE ARG 77 4.072 -0.829 -10.274 631 HH11 ARG 77 HH11 ARG 77 5.926 -0.227 -13.168 632 HH12 ARG 77 HH12 ARG 77 4.534 0.092 -14.149 633 HH21 ARG 77 HH21 ARG 77 2.223 -0.432 -11.553 634 HH22 ARG 77 HH22 ARG 77 2.425 -0.021 -13.231 635 HA PRO 78 HA PRO 78 11.512 -4.386 -6.497 636 HB2 PRO 78 HB2 PRO 78 12.661 -5.349 -8.813 637 HB3 PRO 78 HB1 PRO 78 11.603 -6.249 -7.733 638 HG2 PRO 78 HG2 PRO 78 10.944 -4.822 -10.277 639 HG3 PRO 78 HG1 PRO 78 10.320 -6.365 -9.661 640 HD2 PRO 78 HD2 PRO 78 8.842 -4.160 -9.509 641 HD3 PRO 78 HD1 PRO 78 8.872 -5.315 -8.157 642 H ASP 79 HN ASP 79 12.274 -2.243 -6.053 643 HA ASP 79 HA ASP 79 14.358 -1.293 -7.869 644 HB2 ASP 79 HB2 ASP 79 13.034 0.505 -7.163 645 HB3 ASP 79 HB1 ASP 79 13.020 -0.078 -5.511 646 H LEU 80 HN LEU 80 15.995 -2.759 -7.576 647 HA LEU 80 HA LEU 80 16.968 -3.205 -4.881 648 HB2 LEU 80 HB2 LEU 80 16.760 -5.108 -6.447 649 HB3 LEU 80 HB1 LEU 80 17.954 -4.346 -7.468 650 HG LEU 80 HG LEU 80 19.622 -4.563 -5.649 651 HD11 LEU 80 HD11 LEU 80 19.116 -6.030 -3.752 652 HD12 LEU 80 HD12 LEU 80 17.434 -6.115 -4.275 653 HD13 LEU 80 HD13 LEU 80 18.116 -4.579 -3.745 654 HD21 LEU 80 HD21 LEU 80 19.487 -6.243 -7.410 655 HD22 LEU 80 HD22 LEU 80 18.283 -7.134 -6.479 656 HD23 LEU 80 HD23 LEU 80 19.929 -6.979 -5.868 657 H LYS 81 HN LYS 81 17.403 -1.045 -7.305 658 HA LYS 81 HA LYS 81 20.299 -0.869 -7.083 659 HB2 LYS 81 HB2 LYS 81 20.117 0.777 -8.952 660 HB3 LYS 81 HB1 LYS 81 19.508 -0.825 -9.326 661 HG2 LYS 81 HG2 LYS 81 17.223 -0.048 -9.025 662 HG3 LYS 81 HG1 LYS 81 17.814 1.554 -8.588 663 HD2 LYS 81 HD2 LYS 81 17.252 1.815 -10.823 664 HD3 LYS 81 HD1 LYS 81 18.981 1.494 -10.899 665 HE2 LYS 81 HE2 LYS 81 16.881 -0.641 -11.237 666 HE3 LYS 81 HE1 LYS 81 17.554 0.274 -12.584 667 HZ1 LYS 81 HZ1 LYS 81 19.770 -0.557 -11.912 668 HZ2 LYS 81 HZ2 LYS 81 18.713 -1.784 -12.391 669 HZ3 LYS 81 HZ3 LYS 81 19.027 -1.538 -10.751 670 H HIS 82 HN HIS 82 17.448 1.089 -6.330 671 HA HIS 82 HA HIS 82 19.153 3.270 -5.403 672 HB2 HIS 82 HB2 HIS 82 16.143 3.011 -5.209 673 HB3 HIS 82 HB1 HIS 82 17.088 4.467 -4.932 674 HD1 HIS 82 HD1 HIS 82 15.591 2.367 -7.613 675 HD2 HIS 82 HD2 HIS 82 18.036 5.729 -7.287 676 HE1 HIS 82 HE1 HIS 82 15.580 3.460 -9.890 677 HE2 HIS 82 HE2 HIS 82 17.187 5.390 -9.704 678 HA PRO 83 HA PRO 83 19.318 1.597 -1.282 679 HB2 PRO 83 HB2 PRO 83 20.012 3.906 0.017 680 HB3 PRO 83 HB1 PRO 83 21.162 2.906 -0.877 681 HG2 PRO 83 HG2 PRO 83 19.772 5.412 -1.725 682 HG3 PRO 83 HG1 PRO 83 21.454 4.917 -1.993 683 HD2 PRO 83 HD2 PRO 83 19.568 4.721 -3.916 684 HD3 PRO 83 HD1 PRO 83 20.900 3.555 -3.775 685 H LEU 84 HN LEU 84 17.474 1.156 -0.190 686 HA LEU 84 HA LEU 84 15.435 3.232 -0.056 687 HB2 LEU 84 HB2 LEU 84 14.969 0.506 1.037 688 HB3 LEU 84 HB1 LEU 84 13.836 1.638 0.343 689 HG LEU 84 HG LEU 84 15.120 1.144 -1.890 690 HD11 LEU 84 HD11 LEU 84 15.685 -1.351 -0.293 691 HD12 LEU 84 HD12 LEU 84 16.884 -0.219 -0.915 692 HD13 LEU 84 HD13 LEU 84 15.907 -1.168 -2.032 693 HD21 LEU 84 HD21 LEU 84 13.198 -0.813 -0.641 694 HD22 LEU 84 HD22 LEU 84 13.533 -0.653 -2.366 695 HD23 LEU 84 HD23 LEU 84 12.769 0.673 -1.489 696 H CYS 85 HN CYS 85 15.473 4.500 1.590 697 HA CYS 85 HA CYS 85 15.809 3.465 4.256 698 HB2 CYS 85 HB2 CYS 85 17.401 5.839 4.079 699 HB3 CYS 85 HB1 CYS 85 17.866 4.246 4.644 700 H GLY 86 HN GLY 86 15.883 6.493 2.732 701 HA2 GLY 86 HA2 GLY 86 14.056 7.694 4.618 702 HA3 GLY 86 HA1 GLY 86 14.900 8.522 3.324 703 H LYS 87 HN LYS 87 13.038 5.666 2.604 704 HA LYS 87 HA LYS 87 11.263 7.401 1.035 705 HB2 LYS 87 HB2 LYS 87 12.260 4.596 0.579 706 HB3 LYS 87 HB1 LYS 87 10.889 5.251 -0.311 707 HG2 LYS 87 HG2 LYS 87 12.324 7.105 -1.098 708 HG3 LYS 87 HG1 LYS 87 13.692 6.359 -0.275 709 HD2 LYS 87 HD2 LYS 87 12.099 4.831 -2.303 710 HD3 LYS 87 HD1 LYS 87 13.369 5.946 -2.804 711 HE2 LYS 87 HE2 LYS 87 14.940 4.706 -1.314 712 HE3 LYS 87 HE1 LYS 87 13.657 3.530 -1.026 713 HZ1 LYS 87 HZ1 LYS 87 13.631 3.004 -3.373 714 HZ2 LYS 87 HZ2 LYS 87 15.200 2.815 -2.773 715 HZ3 LYS 87 HZ3 LYS 87 14.809 4.178 -3.689 716 H ARG 88 HN ARG 88 9.141 7.376 1.313 717 HA ARG 88 HA ARG 88 7.813 5.195 2.702 718 HB2 ARG 88 HB2 ARG 88 8.451 6.534 4.586 719 HB3 ARG 88 HB1 ARG 88 7.939 8.010 3.783 720 HG2 ARG 88 HG2 ARG 88 5.616 7.300 3.918 721 HG3 ARG 88 HG1 ARG 88 6.116 5.788 4.680 722 HD2 ARG 88 HD2 ARG 88 6.657 8.528 5.814 723 HD3 ARG 88 HD1 ARG 88 5.299 7.506 6.285 724 HE ARG 88 HE ARG 88 7.203 5.827 6.822 725 HH11 ARG 88 HH11 ARG 88 7.283 9.303 7.356 726 HH12 ARG 88 HH12 ARG 88 8.401 9.190 8.677 727 HH21 ARG 88 HH21 ARG 88 8.657 5.695 8.551 728 HH22 ARG 88 HH22 ARG 88 9.186 7.140 9.355 729 H TYR 89 HN TYR 89 5.870 4.859 1.851 730 HA TYR 89 HA TYR 89 4.529 7.032 0.406 731 HB2 TYR 89 HB2 TYR 89 3.947 5.360 -1.387 732 HB3 TYR 89 HB1 TYR 89 5.644 5.811 -1.330 733 HD1 TYR 89 HD1 TYR 89 3.234 3.134 -0.844 734 HD2 TYR 89 HD2 TYR 89 7.324 4.245 -0.509 735 HE1 TYR 89 HE1 TYR 89 3.856 0.768 -0.687 736 HE2 TYR 89 HE2 TYR 89 7.956 1.883 -0.347 737 HH TYR 89 HH TYR 89 6.904 -0.251 0.327 738 H GLU 90 HN GLU 90 2.258 6.563 -0.017 739 HA GLU 90 HA GLU 90 1.066 4.711 1.911 740 HB2 GLU 90 HB2 GLU 90 0.935 6.642 3.167 741 HB3 GLU 90 HB1 GLU 90 0.834 7.681 1.759 742 HG2 GLU 90 HG2 GLU 90 -1.501 6.830 1.421 743 HG3 GLU 90 HG1 GLU 90 -1.353 6.029 2.985 744 H LEU 91 HN LEU 91 -0.530 3.537 1.013 745 HA LEU 91 HA LEU 91 -1.932 4.757 -1.261 746 HB2 LEU 91 HB2 LEU 91 -2.391 1.868 -0.706 747 HB3 LEU 91 HB1 LEU 91 -2.426 2.740 -2.199 748 HG LEU 91 HG LEU 91 -0.637 1.199 -2.362 749 HD11 LEU 91 HD11 LEU 91 0.497 3.931 -1.832 750 HD12 LEU 91 HD12 LEU 91 -0.216 3.370 -3.345 751 HD13 LEU 91 HD13 LEU 91 1.277 2.643 -2.750 752 HD21 LEU 91 HD21 LEU 91 -0.259 0.745 -0.006 753 HD22 LEU 91 HD22 LEU 91 0.470 2.338 0.198 754 HD23 LEU 91 HD23 LEU 91 1.253 1.134 -0.824 755 H SER 92 HN SER 92 -4.147 4.887 -1.170 756 HA SER 92 HA SER 92 -5.347 4.168 1.399 757 HB2 SER 92 HB2 SER 92 -5.649 6.894 0.217 758 HB3 SER 92 HB1 SER 92 -6.103 6.365 1.827 759 HG SER 92 HG SER 92 -3.504 5.901 1.472 760 H ALA 93 HN ALA 93 -7.296 3.458 1.286 761 HA ALA 93 HA ALA 93 -8.735 3.578 -1.204 762 HB1 ALA 93 HB1 ALA 93 -10.438 2.558 0.610 763 HB2 ALA 93 HB2 ALA 93 -8.857 2.097 1.263 764 HB3 ALA 93 HB3 ALA 93 -9.312 1.639 -0.390 765 H ARG 94 HN ARG 94 -9.170 5.610 -1.502 766 HA ARG 94 HA ARG 94 -10.619 7.121 0.630 767 HB2 ARG 94 HB2 ARG 94 -8.508 8.030 -1.328 768 HB3 ARG 94 HB1 ARG 94 -9.598 9.161 -0.556 769 HG2 ARG 94 HG2 ARG 94 -8.695 8.650 1.594 770 HG3 ARG 94 HG1 ARG 94 -7.762 7.303 0.943 771 HD2 ARG 94 HD2 ARG 94 -6.352 9.263 1.341 772 HD3 ARG 94 HD1 ARG 94 -6.423 8.859 -0.373 773 HE ARG 94 HE ARG 94 -8.388 10.792 0.309 774 HH11 ARG 94 HH11 ARG 94 -4.953 10.433 -0.255 775 HH12 ARG 94 HH12 ARG 94 -4.745 12.066 -0.804 776 HH21 ARG 94 HH21 ARG 94 -8.119 12.940 -0.393 777 HH22 ARG 94 HH22 ARG 94 -6.547 13.494 -0.878 778 H MET 95 HN MET 95 -12.400 7.046 0.169 779 HA MET 95 HA MET 95 -14.382 7.591 -0.620 780 HB2 MET 95 HB2 MET 95 -12.839 9.899 -1.805 781 HB3 MET 95 HB1 MET 95 -14.536 9.900 -1.335 782 HG2 MET 95 HG2 MET 95 -13.862 9.466 0.992 783 HG3 MET 95 HG1 MET 95 -12.167 9.560 0.519 784 HE1 MET 95 HE1 MET 95 -11.816 11.368 2.439 785 HE2 MET 95 HE2 MET 95 -13.525 11.275 2.858 786 HE3 MET 95 HE3 MET 95 -12.768 12.845 2.584 787 H ASP 96 HN ASP 96 -12.289 8.510 -3.399 788 HA ASP 96 HA ASP 96 -14.287 7.183 -5.124 789 HB2 ASP 96 HB2 ASP 96 -13.659 8.754 -6.915 790 HB3 ASP 96 HB1 ASP 96 -14.306 9.573 -5.499 791 H ALA 97 HN ALA 97 -10.935 7.237 -4.238 792 HA ALA 97 HA ALA 97 -10.479 5.007 -6.035 793 HB1 ALA 97 HB1 ALA 97 -8.871 7.535 -6.331 794 HB2 ALA 97 HB2 ALA 97 -9.897 6.773 -7.549 795 HB3 ALA 97 HB3 ALA 97 -8.396 5.966 -7.022 796 H ILE 98 HN ILE 98 -8.152 4.307 -5.905 797 HA ILE 98 HA ILE 98 -7.184 4.372 -3.148 798 HB ILE 98 HB ILE 98 -6.616 2.580 -5.516 799 HG12 ILE 98 HG12 ILE 98 -8.627 2.383 -3.843 800 HG13 ILE 98 HG11 ILE 98 -7.722 0.935 -4.275 801 HG21 ILE 98 HG21 ILE 98 -5.247 2.347 -2.777 802 HG22 ILE 98 HG22 ILE 98 -4.498 3.198 -4.137 803 HG23 ILE 98 HG23 ILE 98 -4.864 1.477 -4.268 804 HD11 ILE 98 HD11 ILE 98 -8.191 1.023 -1.926 805 HD12 ILE 98 HD12 ILE 98 -7.397 2.610 -1.812 806 HD13 ILE 98 HD13 ILE 98 -6.456 1.162 -2.211 807 H TYR 99 HN TYR 99 -5.735 5.828 -2.708 808 HA TYR 99 HA TYR 99 -4.426 7.253 -4.883 809 HB2 TYR 99 HB2 TYR 99 -4.777 7.791 -1.948 810 HB3 TYR 99 HB1 TYR 99 -3.620 8.710 -2.902 811 HD1 TYR 99 HD1 TYR 99 -7.224 7.702 -2.955 812 HD2 TYR 99 HD2 TYR 99 -4.319 10.657 -3.911 813 HE1 TYR 99 HE1 TYR 99 -9.018 9.229 -3.665 814 HE2 TYR 99 HE2 TYR 99 -6.102 12.190 -4.622 815 HH TYR 99 HH TYR 99 -8.476 11.973 -5.482 816 H PHE 100 HN PHE 100 -2.325 7.208 -5.351 817 HA PHE 100 HA PHE 100 -0.535 5.663 -3.608 818 HB2 PHE 100 HB2 PHE 100 -0.575 4.976 -5.984 819 HB3 PHE 100 HB1 PHE 100 -0.142 6.610 -6.467 820 HD1 PHE 100 HD1 PHE 100 2.125 7.466 -6.069 821 HD2 PHE 100 HD2 PHE 100 1.062 3.455 -5.119 822 HE1 PHE 100 HE1 PHE 100 4.508 6.872 -5.923 823 HE2 PHE 100 HE2 PHE 100 3.444 2.856 -4.968 824 HZ PHE 100 HZ PHE 100 5.171 4.565 -5.371 825 H LYS 101 HN LYS 101 0.537 6.920 -2.186 826 HA LYS 101 HA LYS 101 0.840 9.745 -2.839 827 HB2 LYS 101 HB2 LYS 101 -0.416 9.514 -0.945 828 HB3 LYS 101 HB1 LYS 101 0.631 8.284 -0.246 829 HG2 LYS 101 HG2 LYS 101 2.315 9.944 0.229 830 HG3 LYS 101 HG1 LYS 101 1.382 11.180 -0.617 831 HD2 LYS 101 HD2 LYS 101 -0.403 10.984 1.018 832 HD3 LYS 101 HD1 LYS 101 0.469 9.693 1.843 833 HE2 LYS 101 HE2 LYS 101 1.501 12.500 1.496 834 HE3 LYS 101 HE1 LYS 101 0.670 11.916 2.936 835 HZ1 LYS 101 HZ1 LYS 101 3.068 11.856 3.198 836 HZ2 LYS 101 HZ2 LYS 101 3.217 10.830 1.862 837 HZ3 LYS 101 HZ3 LYS 101 2.419 10.295 3.256 838 H MET 102 HN MET 102 2.732 10.892 -1.954 839 HA MET 102 HA MET 102 4.433 10.243 -3.987 840 HB2 MET 102 HB2 MET 102 4.016 12.501 -3.141 841 HB3 MET 102 HB1 MET 102 4.992 12.142 -1.729 842 HG2 MET 102 HG2 MET 102 6.963 11.970 -3.024 843 HG3 MET 102 HG1 MET 102 6.050 11.979 -4.533 844 HE1 MET 102 HE1 MET 102 7.172 14.087 -1.417 845 HE2 MET 102 HE2 MET 102 5.417 14.255 -1.383 846 HE3 MET 102 HE3 MET 102 6.430 15.649 -1.759 847 H ASP 103 HN ASP 103 5.252 8.039 -3.541 848 HA ASP 103 HA ASP 103 8.011 8.809 -2.863 849 HB2 ASP 103 HB2 ASP 103 7.163 6.612 -1.798 850 HB3 ASP 103 HB1 ASP 103 7.287 6.001 -3.440 851 H GLU 104 HN GLU 104 9.494 8.181 -4.434 852 HA GLU 104 HA GLU 104 10.227 9.174 -6.343 853 HB2 GLU 104 HB2 GLU 104 10.176 7.750 -8.172 854 HB3 GLU 104 HB1 GLU 104 10.052 6.718 -6.768 855 HG2 GLU 104 HG2 GLU 104 7.735 6.357 -7.141 856 HG3 GLU 104 HG1 GLU 104 7.699 7.582 -8.408 857 H ARG 105 HN ARG 105 6.724 8.899 -6.406 858 HA ARG 105 HA ARG 105 6.585 11.305 -8.088 859 HB2 ARG 105 HB2 ARG 105 4.837 10.311 -9.453 860 HB3 ARG 105 HB1 ARG 105 6.276 9.305 -9.511 861 HG2 ARG 105 HG2 ARG 105 5.223 7.855 -7.759 862 HG3 ARG 105 HG1 ARG 105 3.740 8.785 -7.986 863 HD2 ARG 105 HD2 ARG 105 3.611 6.794 -9.323 864 HD3 ARG 105 HD1 ARG 105 3.796 8.182 -10.395 865 HE ARG 105 HE ARG 105 6.313 7.017 -9.753 866 HH11 ARG 105 HH11 ARG 105 3.499 6.612 -11.787 867 HH12 ARG 105 HH12 ARG 105 4.349 5.712 -12.999 868 HH21 ARG 105 HH21 ARG 105 7.433 5.824 -11.324 869 HH22 ARG 105 HH22 ARG 105 6.591 5.261 -12.741 870 HA PRO 106 HA PRO 106 3.832 12.816 -5.045 871 HB2 PRO 106 HB2 PRO 106 2.100 14.318 -6.524 872 HB3 PRO 106 HB1 PRO 106 3.766 14.793 -6.179 873 HG2 PRO 106 HG2 PRO 106 2.636 13.497 -8.629 874 HG3 PRO 106 HG1 PRO 106 3.786 14.841 -8.504 875 HD2 PRO 106 HD2 PRO 106 4.598 12.342 -9.039 876 HD3 PRO 106 HD1 PRO 106 5.567 13.439 -8.036 877 HA PRO 107 HA PRO 107 0.124 10.514 -4.221 878 HB2 PRO 107 HB2 PRO 107 -1.562 12.542 -3.398 879 HB3 PRO 107 HB1 PRO 107 -0.352 11.754 -2.381 880 HG2 PRO 107 HG2 PRO 107 -0.170 14.334 -3.890 881 HG3 PRO 107 HG1 PRO 107 0.370 13.960 -2.240 882 HD2 PRO 107 HD2 PRO 107 2.130 14.064 -4.219 883 HD3 PRO 107 HD1 PRO 107 2.236 12.784 -2.992 884 H GLN 108 HN GLN 108 -1.211 9.695 -5.716 885 HA GLN 108 HA GLN 108 -3.146 11.418 -7.020 886 HB2 GLN 108 HB2 GLN 108 -2.646 10.646 -9.279 887 HB3 GLN 108 HB1 GLN 108 -1.251 11.469 -8.595 888 HG2 GLN 108 HG2 GLN 108 -0.167 9.367 -8.157 889 HG3 GLN 108 HG1 GLN 108 -1.597 8.482 -8.682 890 HE21 GLN 108 HE21 GLN 108 -2.102 10.296 -10.915 891 HE22 GLN 108 HE22 GLN 108 -0.915 9.915 -12.111 892 HA PRO 109 HA PRO 109 -5.742 7.757 -6.644 893 HB2 PRO 109 HB2 PRO 109 -6.922 8.726 -9.186 894 HB3 PRO 109 HB1 PRO 109 -7.714 8.359 -7.652 895 HG2 PRO 109 HG2 PRO 109 -7.381 10.876 -8.440 896 HG3 PRO 109 HG1 PRO 109 -7.189 10.423 -6.737 897 HD2 PRO 109 HD2 PRO 109 -5.094 10.984 -8.797 898 HD3 PRO 109 HD1 PRO 109 -5.136 11.432 -7.079 899 H LEU 110 HN LEU 110 -4.343 6.057 -7.126 900 HA LEU 110 HA LEU 110 -3.513 5.747 -9.909 901 HB2 LEU 110 HB2 LEU 110 -1.780 5.776 -8.141 902 HB3 LEU 110 HB1 LEU 110 -2.497 4.335 -7.449 903 HG LEU 110 HG LEU 110 -1.993 3.121 -9.566 904 HD11 LEU 110 HD11 LEU 110 -0.511 5.655 -10.252 905 HD12 LEU 110 HD12 LEU 110 -1.918 5.001 -11.090 906 HD13 LEU 110 HD13 LEU 110 -0.387 4.129 -11.125 907 HD21 LEU 110 HD21 LEU 110 0.397 2.895 -9.148 908 HD22 LEU 110 HD22 LEU 110 -0.506 2.964 -7.636 909 HD23 LEU 110 HD23 LEU 110 0.381 4.381 -8.198 910 H ASN 111 HN ASN 111 -5.822 4.572 -7.800 911 HA ASN 111 HA ASN 111 -6.593 2.485 -9.597 912 HB2 ASN 111 HB2 ASN 111 -4.740 1.401 -8.188 913 HB3 ASN 111 HB1 ASN 111 -5.803 1.603 -6.805 914 HD21 ASN 111 HD21 ASN 111 -5.272 -0.087 -9.781 915 HD22 ASN 111 HD22 ASN 111 -6.452 -1.324 -9.527 916 H LYS 112 HN LYS 112 -8.547 1.296 -8.111 917 HA LYS 112 HA LYS 112 -9.572 3.326 -6.352 918 HB2 LYS 112 HB2 LYS 112 -11.828 3.045 -7.450 919 HB3 LYS 112 HB1 LYS 112 -10.604 3.923 -8.331 920 HG2 LYS 112 HG2 LYS 112 -10.212 2.102 -9.801 921 HG3 LYS 112 HG1 LYS 112 -11.211 1.034 -8.819 922 HD2 LYS 112 HD2 LYS 112 -12.288 3.497 -10.171 923 HD3 LYS 112 HD1 LYS 112 -12.271 1.911 -10.941 924 HE2 LYS 112 HE2 LYS 112 -13.594 2.518 -8.302 925 HE3 LYS 112 HE1 LYS 112 -14.432 2.478 -9.849 926 HZ1 LYS 112 HZ1 LYS 112 -14.619 0.398 -8.565 927 HZ2 LYS 112 HZ2 LYS 112 -12.949 0.178 -8.699 928 HZ3 LYS 112 HZ3 LYS 112 -13.916 0.170 -10.085 929 H TRP 113 HN TRP 113 -10.323 2.607 -4.653 930 HA TRP 113 HA TRP 113 -10.051 0.129 -3.590 931 HB2 TRP 113 HB2 TRP 113 -11.687 0.885 -1.855 932 HB3 TRP 113 HB1 TRP 113 -10.470 2.101 -2.241 933 HD1 TRP 113 HD1 TRP 113 -11.275 4.356 -3.322 934 HE1 TRP 113 HE1 TRP 113 -13.585 5.370 -3.823 935 HE3 TRP 113 HE3 TRP 113 -14.193 0.231 -2.494 936 HZ2 TRP 113 HZ2 TRP 113 -16.274 4.544 -3.874 937 HZ3 TRP 113 HZ3 TRP 113 -16.625 0.433 -2.791 938 HH2 TRP 113 HH2 TRP 113 -17.645 2.546 -3.466 939 H ARG 114 HN ARG 114 -11.402 -1.628 -3.107 940 HA ARG 114 HA ARG 114 -14.127 -1.557 -4.124 941 HB2 ARG 114 HB2 ARG 114 -12.036 -3.548 -4.838 942 HB3 ARG 114 HB1 ARG 114 -13.728 -4.020 -4.795 943 HG2 ARG 114 HG2 ARG 114 -12.452 -1.970 -6.584 944 HG3 ARG 114 HG1 ARG 114 -13.229 -3.485 -7.048 945 HD2 ARG 114 HD2 ARG 114 -14.481 -0.941 -6.076 946 HD3 ARG 114 HD1 ARG 114 -14.815 -1.838 -7.551 947 HE ARG 114 HE ARG 114 -15.577 -3.576 -5.655 948 HH11 ARG 114 HH11 ARG 114 -16.322 -0.215 -6.233 949 HH12 ARG 114 HH12 ARG 114 -17.836 -0.258 -5.384 950 HH21 ARG 114 HH21 ARG 114 -17.564 -3.639 -4.462 951 HH22 ARG 114 HH22 ARG 114 -18.533 -2.198 -4.372 952 H SER 115 HN SER 115 -15.276 -3.466 -3.522 953 HA SER 115 HA SER 115 -14.950 -5.422 -1.784 954 HB2 SER 115 HB2 SER 115 -15.211 -2.896 -0.244 955 HB3 SER 115 HB1 SER 115 -15.870 -4.389 0.395 956 HG SER 115 HG SER 115 -13.177 -3.833 -0.298 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 22.389 1.634 -3.022 2 H2 ALA 1 HT2 ALA 1 22.957 0.216 -2.296 3 H3 ALA 1 HT3 ALA 1 24.002 1.522 -2.531 4 HA ALA 1 HA ALA 1 22.832 2.852 -0.968 5 HB1 ALA 1 HB1 ALA 1 20.593 2.064 -1.403 6 HB2 ALA 1 HB2 ALA 1 20.952 1.876 0.313 7 HB3 ALA 1 HB3 ALA 1 20.991 0.476 -0.756 8 H MET 2 HN MET 2 23.362 2.768 1.270 9 HA MET 2 HA MET 2 25.400 0.770 1.826 10 HB2 MET 2 HB2 MET 2 25.979 2.220 3.753 11 HB3 MET 2 HB1 MET 2 26.009 3.077 2.221 12 HG2 MET 2 HG2 MET 2 23.831 4.050 2.718 13 HG3 MET 2 HG1 MET 2 23.790 3.184 4.250 14 HE1 MET 2 HE1 MET 2 24.321 6.918 5.337 15 HE2 MET 2 HE2 MET 2 23.286 5.495 5.460 16 HE3 MET 2 HE3 MET 2 23.397 6.376 3.936 17 H GLY 3 HN GLY 3 23.176 -0.599 1.858 18 HA2 GLY 3 HA2 GLY 3 21.939 -2.056 3.136 19 HA3 GLY 3 HA1 GLY 3 22.956 -1.606 4.497 20 H CYS 4 HN CYS 4 20.864 0.448 2.543 21 HA CYS 4 HA CYS 4 19.241 0.949 4.944 22 HB2 CYS 4 HB2 CYS 4 21.107 2.733 4.169 23 HB3 CYS 4 HB1 CYS 4 19.772 3.251 3.147 24 H LYS 5 HN LYS 5 17.789 -0.542 3.855 25 HA LYS 5 HA LYS 5 15.894 1.179 2.583 26 HB2 LYS 5 HB2 LYS 5 16.755 -1.324 1.456 27 HB3 LYS 5 HB1 LYS 5 15.072 -0.895 1.338 28 HG2 LYS 5 HG2 LYS 5 15.794 1.273 0.365 29 HG3 LYS 5 HG1 LYS 5 17.431 0.622 0.286 30 HD2 LYS 5 HD2 LYS 5 15.052 -0.683 -1.037 31 HD3 LYS 5 HD1 LYS 5 16.119 0.456 -1.858 32 HE2 LYS 5 HE2 LYS 5 18.021 -1.046 -1.420 33 HE3 LYS 5 HE1 LYS 5 16.924 -2.188 -0.646 34 HZ1 LYS 5 HZ1 LYS 5 16.716 -1.312 -3.486 35 HZ2 LYS 5 HZ2 LYS 5 15.778 -2.498 -2.722 36 HZ3 LYS 5 HZ3 LYS 5 17.426 -2.760 -2.971 37 H GLU 6 HN GLU 6 14.981 1.377 4.494 38 HA GLU 6 HA GLU 6 13.461 -0.915 5.477 39 HB2 GLU 6 HB2 GLU 6 13.796 1.654 6.983 40 HB3 GLU 6 HB1 GLU 6 13.537 0.019 7.596 41 HG2 GLU 6 HG2 GLU 6 15.744 -0.620 7.080 42 HG3 GLU 6 HG1 GLU 6 16.034 0.866 6.197 43 H ILE 7 HN ILE 7 11.789 -0.787 4.126 44 HA ILE 7 HA ILE 7 10.610 1.833 3.622 45 HB ILE 7 HB ILE 7 10.046 -0.752 2.210 46 HG12 ILE 7 HG12 ILE 7 12.173 -0.428 1.538 47 HG13 ILE 7 HG11 ILE 7 11.361 0.560 0.370 48 HG21 ILE 7 HG21 ILE 7 9.426 2.073 1.493 49 HG22 ILE 7 HG22 ILE 7 8.260 0.818 1.937 50 HG23 ILE 7 HG23 ILE 7 9.197 0.679 0.445 51 HD11 ILE 7 HD11 ILE 7 12.320 1.736 2.891 52 HD12 ILE 7 HD12 ILE 7 12.007 2.513 1.337 53 HD13 ILE 7 HD13 ILE 7 13.428 1.469 1.541 54 H GLU 8 HN GLU 8 8.897 2.460 4.560 55 HA GLU 8 HA GLU 8 7.114 0.478 5.802 56 HB2 GLU 8 HB2 GLU 8 7.538 3.385 6.498 57 HB3 GLU 8 HB1 GLU 8 6.385 2.316 7.285 58 HG2 GLU 8 HG2 GLU 8 8.241 0.876 7.983 59 HG3 GLU 8 HG1 GLU 8 9.375 2.012 7.266 60 H ILE 9 HN ILE 9 5.092 0.314 5.102 61 HA ILE 9 HA ILE 9 4.154 2.326 3.227 62 HB ILE 9 HB ILE 9 2.877 0.179 2.309 63 HG12 ILE 9 HG12 ILE 9 4.924 -0.993 3.888 64 HG13 ILE 9 HG11 ILE 9 3.759 -1.782 2.848 65 HG21 ILE 9 HG21 ILE 9 4.246 1.920 1.143 66 HG22 ILE 9 HG22 ILE 9 4.287 0.308 0.430 67 HG23 ILE 9 HG23 ILE 9 5.635 0.868 1.424 68 HD11 ILE 9 HD11 ILE 9 6.018 -2.389 2.263 69 HD12 ILE 9 HD12 ILE 9 6.402 -0.683 2.008 70 HD13 ILE 9 HD13 ILE 9 5.226 -1.484 0.971 71 H VAL 10 HN VAL 10 2.186 3.117 3.547 72 HA VAL 10 HA VAL 10 0.786 2.272 5.957 73 HB VAL 10 HB VAL 10 0.104 4.359 6.252 74 HG11 VAL 10 HG11 VAL 10 1.725 6.017 5.502 75 HG12 VAL 10 HG12 VAL 10 2.346 4.872 4.313 76 HG13 VAL 10 HG13 VAL 10 2.524 4.539 6.036 77 HG21 VAL 10 HG21 VAL 10 0.040 4.760 3.285 78 HG22 VAL 10 HG22 VAL 10 -0.632 5.848 4.528 79 HG23 VAL 10 HG23 VAL 10 -1.304 4.220 4.313 80 H ILE 11 HN ILE 11 -1.143 1.272 5.966 81 HA ILE 11 HA ILE 11 -2.580 1.284 3.438 82 HB ILE 11 HB ILE 11 -2.861 -0.649 5.721 83 HG12 ILE 11 HG12 ILE 11 -0.869 -1.107 4.512 84 HG13 ILE 11 HG11 ILE 11 -2.077 -2.282 3.987 85 HG21 ILE 11 HG21 ILE 11 -4.423 -1.871 4.252 86 HG22 ILE 11 HG22 ILE 11 -4.335 -0.531 3.104 87 HG23 ILE 11 HG23 ILE 11 -5.021 -0.272 4.709 88 HD11 ILE 11 HD11 ILE 11 -0.890 -1.448 2.088 89 HD12 ILE 11 HD12 ILE 11 -1.250 0.212 2.565 90 HD13 ILE 11 HD13 ILE 11 -2.551 -0.857 2.054 91 H LYS 12 HN LYS 12 -4.058 2.744 3.334 92 HA LYS 12 HA LYS 12 -5.727 3.242 5.699 93 HB2 LYS 12 HB2 LYS 12 -4.145 5.095 4.417 94 HB3 LYS 12 HB1 LYS 12 -5.704 5.311 3.597 95 HG2 LYS 12 HG2 LYS 12 -6.823 5.635 5.713 96 HG3 LYS 12 HG1 LYS 12 -5.306 5.357 6.563 97 HD2 LYS 12 HD2 LYS 12 -4.350 7.361 5.563 98 HD3 LYS 12 HD1 LYS 12 -5.831 7.621 4.635 99 HE2 LYS 12 HE2 LYS 12 -7.095 7.935 6.679 100 HE3 LYS 12 HE1 LYS 12 -5.670 7.564 7.649 101 HZ1 LYS 12 HZ1 LYS 12 -6.080 9.946 7.507 102 HZ2 LYS 12 HZ2 LYS 12 -5.942 9.889 5.823 103 HZ3 LYS 12 HZ3 LYS 12 -4.602 9.542 6.790 104 H ASN 13 HN ASN 13 -7.944 3.227 5.342 105 HA ASN 13 HA ASN 13 -8.906 3.249 2.594 106 HB2 ASN 13 HB2 ASN 13 -10.633 1.445 3.315 107 HB3 ASN 13 HB1 ASN 13 -9.021 0.941 2.839 108 HD21 ASN 13 HD21 ASN 13 -9.957 2.352 5.940 109 HD22 ASN 13 HD22 ASN 13 -9.582 0.950 6.875 110 H THR 14 HN THR 14 -9.930 5.121 2.610 111 HA THR 14 HA THR 14 -11.744 5.706 4.793 112 HB THR 14 HB THR 14 -9.656 6.548 5.595 113 HG1 THR 14 HG1 THR 14 -10.958 8.098 6.257 114 HG21 THR 14 HG21 THR 14 -9.605 7.934 2.952 115 HG22 THR 14 HG22 THR 14 -8.519 6.647 3.515 116 HG23 THR 14 HG23 THR 14 -8.460 8.246 4.266 117 H LEU 15 HN LEU 15 -13.164 5.332 2.753 118 HA LEU 15 HA LEU 15 -13.415 7.677 1.176 119 HB2 LEU 15 HB2 LEU 15 -15.419 5.430 1.532 120 HB3 LEU 15 HB1 LEU 15 -15.539 6.718 0.396 121 HG LEU 15 HG LEU 15 -13.728 5.937 -0.883 122 HD11 LEU 15 HD11 LEU 15 -13.225 4.034 1.322 123 HD12 LEU 15 HD12 LEU 15 -12.277 5.436 0.787 124 HD13 LEU 15 HD13 LEU 15 -12.421 4.017 -0.266 125 HD21 LEU 15 HD21 LEU 15 -15.839 4.776 -1.293 126 HD22 LEU 15 HD22 LEU 15 -15.422 3.588 -0.059 127 HD23 LEU 15 HD23 LEU 15 -14.468 3.696 -1.538 128 H GLY 16 HN GLY 16 -14.667 6.276 4.010 129 HA2 GLY 16 HA2 GLY 16 -15.210 8.500 5.452 130 HA3 GLY 16 HA1 GLY 16 -16.728 8.154 4.607 131 HA PRO 17 HA PRO 17 -16.564 6.025 8.806 132 HB2 PRO 17 HB2 PRO 17 -19.468 6.085 8.109 133 HB3 PRO 17 HB1 PRO 17 -18.681 6.347 9.670 134 HG2 PRO 17 HG2 PRO 17 -19.563 8.407 8.249 135 HG3 PRO 17 HG1 PRO 17 -18.026 8.507 9.126 136 HD2 PRO 17 HD2 PRO 17 -18.530 8.212 6.209 137 HD3 PRO 17 HD1 PRO 17 -17.198 9.030 7.050 138 H SER 18 HN SER 18 -16.138 3.950 8.887 139 HA SER 18 HA SER 18 -16.207 1.714 8.629 140 HB2 SER 18 HB2 SER 18 -18.999 2.187 7.567 141 HB3 SER 18 HB1 SER 18 -18.349 0.650 8.144 142 HG SER 18 HG SER 18 -17.911 2.442 10.036 143 H ARG 19 HN ARG 19 -14.942 3.117 6.576 144 HA ARG 19 HA ARG 19 -15.479 1.447 4.248 145 HB2 ARG 19 HB2 ARG 19 -13.902 3.892 4.729 146 HB3 ARG 19 HB1 ARG 19 -13.169 2.745 3.629 147 HG2 ARG 19 HG2 ARG 19 -14.544 4.521 2.614 148 HG3 ARG 19 HG1 ARG 19 -15.002 2.879 2.157 149 HD2 ARG 19 HD2 ARG 19 -16.438 3.633 4.501 150 HD3 ARG 19 HD1 ARG 19 -16.623 4.906 3.296 151 HE ARG 19 HE ARG 19 -17.088 2.635 1.883 152 HH11 ARG 19 HH11 ARG 19 -18.442 3.886 4.871 153 HH12 ARG 19 HH12 ARG 19 -20.000 3.179 4.594 154 HH21 ARG 19 HH21 ARG 19 -19.146 1.715 1.535 155 HH22 ARG 19 HH22 ARG 19 -20.403 1.954 2.707 156 H ILE 20 HN ILE 20 -14.752 -0.535 4.360 157 HA ILE 20 HA ILE 20 -12.303 -1.045 5.920 158 HB ILE 20 HB ILE 20 -14.497 -3.056 5.510 159 HG12 ILE 20 HG12 ILE 20 -15.380 -1.093 6.672 160 HG13 ILE 20 HG11 ILE 20 -15.396 -2.530 7.667 161 HG21 ILE 20 HG21 ILE 20 -12.403 -2.838 7.613 162 HG22 ILE 20 HG22 ILE 20 -12.256 -3.845 6.173 163 HG23 ILE 20 HG23 ILE 20 -13.515 -4.176 7.369 164 HD11 ILE 20 HD11 ILE 20 -13.416 -0.297 7.754 165 HD12 ILE 20 HD12 ILE 20 -13.363 -1.754 8.741 166 HD13 ILE 20 HD13 ILE 20 -14.694 -0.607 8.928 167 H LEU 21 HN LEU 21 -10.663 -1.748 4.703 168 HA LEU 21 HA LEU 21 -11.353 -3.559 2.495 169 HB2 LEU 21 HB2 LEU 21 -9.486 -1.248 2.501 170 HB3 LEU 21 HB1 LEU 21 -8.979 -2.694 1.603 171 HG LEU 21 HG LEU 21 -11.582 -1.200 1.175 172 HD11 LEU 21 HD11 LEU 21 -10.556 -0.493 -0.944 173 HD12 LEU 21 HD12 LEU 21 -9.028 -1.203 -0.418 174 HD13 LEU 21 HD13 LEU 21 -9.721 0.155 0.467 175 HD21 LEU 21 HD21 LEU 21 -10.300 -3.524 -0.249 176 HD22 LEU 21 HD22 LEU 21 -11.650 -2.595 -0.895 177 HD23 LEU 21 HD23 LEU 21 -11.843 -3.507 0.601 178 H GLN 22 HN GLN 22 -10.453 -5.454 2.504 179 HA GLN 22 HA GLN 22 -8.518 -6.069 4.568 180 HB2 GLN 22 HB2 GLN 22 -10.498 -7.511 4.315 181 HB3 GLN 22 HB1 GLN 22 -10.058 -7.820 2.641 182 HG2 GLN 22 HG2 GLN 22 -7.964 -8.814 3.427 183 HG3 GLN 22 HG1 GLN 22 -8.525 -8.633 5.086 184 HE21 GLN 22 HE21 GLN 22 -8.946 -10.332 2.090 185 HE22 GLN 22 HE22 GLN 22 -9.962 -11.588 2.703 186 H TYR 23 HN TYR 23 -6.524 -5.564 3.954 187 HA TYR 23 HA TYR 23 -5.847 -5.731 1.127 188 HB2 TYR 23 HB2 TYR 23 -4.052 -4.237 1.567 189 HB3 TYR 23 HB1 TYR 23 -5.458 -3.608 2.416 190 HD1 TYR 23 HD1 TYR 23 -5.613 -3.804 4.850 191 HD2 TYR 23 HD2 TYR 23 -2.122 -4.952 2.744 192 HE1 TYR 23 HE1 TYR 23 -4.332 -3.729 6.959 193 HE2 TYR 23 HE2 TYR 23 -0.820 -4.894 4.833 194 HH TYR 23 HH TYR 23 -2.258 -4.706 7.892 195 H HIS 24 HN HIS 24 -4.638 -7.287 0.361 196 HA HIS 24 HA HIS 24 -2.972 -8.770 2.265 197 HB2 HIS 24 HB2 HIS 24 -4.520 -10.173 0.985 198 HB3 HIS 24 HB1 HIS 24 -3.839 -9.564 -0.521 199 HD1 HIS 24 HD1 HIS 24 -1.419 -10.209 2.183 200 HD2 HIS 24 HD2 HIS 24 -3.012 -12.260 -1.078 201 HE1 HIS 24 HE1 HIS 24 0.100 -12.185 1.802 202 HE2 HIS 24 HE2 HIS 24 -0.808 -13.330 -0.248 203 H CYS 25 HN CYS 25 -1.230 -7.387 2.352 204 HA CYS 25 HA CYS 25 0.268 -7.079 -0.092 205 HB2 CYS 25 HB2 CYS 25 0.341 -5.852 2.541 206 HB3 CYS 25 HB1 CYS 25 1.945 -6.322 1.990 207 H ARG 26 HN ARG 26 2.102 -8.084 -0.614 208 HA ARG 26 HA ARG 26 3.227 -9.992 1.322 209 HB2 ARG 26 HB2 ARG 26 3.806 -11.532 -0.455 210 HB3 ARG 26 HB1 ARG 26 2.070 -11.246 -0.469 211 HG2 ARG 26 HG2 ARG 26 2.126 -10.108 -2.457 212 HG3 ARG 26 HG1 ARG 26 3.795 -9.582 -2.233 213 HD2 ARG 26 HD2 ARG 26 2.952 -12.421 -2.793 214 HD3 ARG 26 HD1 ARG 26 3.514 -11.285 -4.020 215 HE ARG 26 HE ARG 26 5.576 -11.194 -2.406 216 HH11 ARG 26 HH11 ARG 26 3.714 -14.003 -3.333 217 HH12 ARG 26 HH12 ARG 26 5.037 -15.104 -3.136 218 HH21 ARG 26 HH21 ARG 26 7.331 -12.631 -2.159 219 HH22 ARG 26 HH22 ARG 26 7.107 -14.321 -2.497 220 H SER 27 HN SER 27 5.509 -10.303 1.120 221 HA SER 27 HA SER 27 6.839 -7.917 0.065 222 HB2 SER 27 HB2 SER 27 7.071 -8.429 2.504 223 HB3 SER 27 HB1 SER 27 7.853 -9.947 2.073 224 HG SER 27 HG SER 27 9.625 -8.881 1.432 225 H GLY 28 HN GLY 28 9.149 -8.372 -0.697 226 HA2 GLY 28 HA2 GLY 28 9.047 -9.999 -2.956 227 HA3 GLY 28 HA1 GLY 28 10.518 -9.354 -2.245 228 H ASN 29 HN ASN 29 11.213 -10.546 -0.208 229 HA ASN 29 HA ASN 29 11.123 -13.424 -0.804 230 HB2 ASN 29 HB2 ASN 29 13.353 -12.445 -0.745 231 HB3 ASN 29 HB1 ASN 29 13.057 -11.792 0.860 232 HD21 ASN 29 HD21 ASN 29 13.569 -14.723 -0.983 233 HD22 ASN 29 HD22 ASN 29 14.062 -15.705 0.351 234 H THR 30 HN THR 30 9.604 -11.266 1.112 235 HA THR 30 HA THR 30 9.393 -13.101 3.404 236 HB THR 30 HB THR 30 8.925 -10.154 3.671 237 HG1 THR 30 HG1 THR 30 11.001 -10.386 2.678 238 HG21 THR 30 HG21 THR 30 9.759 -10.576 5.948 239 HG22 THR 30 HG22 THR 30 9.995 -12.274 5.534 240 HG23 THR 30 HG23 THR 30 8.369 -11.591 5.561 241 H ASN 31 HN ASN 31 7.292 -12.971 4.575 242 HA ASN 31 HA ASN 31 5.073 -12.322 2.737 243 HB2 ASN 31 HB2 ASN 31 3.719 -13.895 4.015 244 HB3 ASN 31 HB1 ASN 31 5.206 -14.688 3.510 245 HD21 ASN 31 HD21 ASN 31 6.744 -15.239 5.059 246 HD22 ASN 31 HD22 ASN 31 6.369 -15.272 6.748 247 H VAL 32 HN VAL 32 3.291 -11.119 3.527 248 HA VAL 32 HA VAL 32 4.018 -9.425 5.823 249 HB VAL 32 HB VAL 32 2.080 -8.744 3.611 250 HG11 VAL 32 HG11 VAL 32 1.627 -7.576 5.696 251 HG12 VAL 32 HG12 VAL 32 2.256 -6.461 4.482 252 HG13 VAL 32 HG13 VAL 32 3.305 -7.039 5.777 253 HG21 VAL 32 HG21 VAL 32 4.941 -7.865 3.970 254 HG22 VAL 32 HG22 VAL 32 3.824 -7.262 2.749 255 HG23 VAL 32 HG23 VAL 32 4.336 -8.948 2.720 256 H GLY 33 HN GLY 33 0.945 -10.416 4.215 257 HA2 GLY 33 HA2 GLY 33 -0.363 -11.859 5.932 258 HA3 GLY 33 HA1 GLY 33 -0.302 -10.360 6.850 259 H VAL 34 HN VAL 34 -2.680 -10.962 6.563 260 HA VAL 34 HA VAL 34 -3.738 -9.399 4.313 261 HB VAL 34 HB VAL 34 -4.945 -12.013 5.239 262 HG11 VAL 34 HG11 VAL 34 -6.313 -11.786 3.205 263 HG12 VAL 34 HG12 VAL 34 -5.576 -10.212 2.903 264 HG13 VAL 34 HG13 VAL 34 -6.572 -10.458 4.338 265 HG21 VAL 34 HG21 VAL 34 -2.750 -12.315 4.119 266 HG22 VAL 34 HG22 VAL 34 -3.399 -11.474 2.711 267 HG23 VAL 34 HG23 VAL 34 -4.100 -13.014 3.217 268 H GLN 35 HN GLN 35 -4.638 -7.682 5.484 269 HA GLN 35 HA GLN 35 -6.224 -8.299 7.857 270 HB2 GLN 35 HB2 GLN 35 -4.064 -7.579 8.605 271 HB3 GLN 35 HB1 GLN 35 -4.055 -6.238 7.466 272 HG2 GLN 35 HG2 GLN 35 -5.729 -5.102 8.661 273 HG3 GLN 35 HG1 GLN 35 -6.039 -6.515 9.653 274 HE21 GLN 35 HE21 GLN 35 -2.840 -5.416 8.786 275 HE22 GLN 35 HE22 GLN 35 -2.369 -4.919 10.372 276 H TYR 36 HN TYR 36 -8.025 -6.910 8.210 277 HA TYR 36 HA TYR 36 -8.501 -4.951 6.096 278 HB2 TYR 36 HB2 TYR 36 -10.892 -5.033 6.691 279 HB3 TYR 36 HB1 TYR 36 -10.246 -6.515 6.010 280 HD1 TYR 36 HD1 TYR 36 -9.450 -8.236 7.678 281 HD2 TYR 36 HD2 TYR 36 -12.131 -5.120 8.617 282 HE1 TYR 36 HE1 TYR 36 -10.311 -9.579 9.571 283 HE2 TYR 36 HE2 TYR 36 -13.015 -6.400 10.510 284 HH TYR 36 HH TYR 36 -13.164 -8.701 11.276 285 H LEU 37 HN LEU 37 -8.937 -2.833 6.561 286 HA LEU 37 HA LEU 37 -8.605 -2.104 9.398 287 HB2 LEU 37 HB2 LEU 37 -6.635 -1.550 8.070 288 HB3 LEU 37 HB1 LEU 37 -7.630 -0.654 6.940 289 HG LEU 37 HG LEU 37 -8.215 0.931 8.755 290 HD11 LEU 37 HD11 LEU 37 -6.249 -0.717 10.325 291 HD12 LEU 37 HD12 LEU 37 -7.931 -0.376 10.715 292 HD13 LEU 37 HD13 LEU 37 -6.734 0.916 10.775 293 HD21 LEU 37 HD21 LEU 37 -5.297 0.569 8.129 294 HD22 LEU 37 HD22 LEU 37 -5.998 2.021 8.842 295 HD23 LEU 37 HD23 LEU 37 -6.477 1.513 7.223 296 H ASN 38 HN ASN 38 -9.452 0.031 9.969 297 HA ASN 38 HA ASN 38 -12.054 0.515 8.733 298 HB2 ASN 38 HB2 ASN 38 -10.933 1.284 11.434 299 HB3 ASN 38 HB1 ASN 38 -12.512 1.786 10.852 300 HD21 ASN 38 HD21 ASN 38 -13.546 0.745 12.555 301 HD22 ASN 38 HD22 ASN 38 -13.703 -0.975 12.617 302 H PHE 39 HN PHE 39 -12.776 2.822 8.880 303 HA PHE 39 HA PHE 39 -11.264 4.300 7.028 304 HB2 PHE 39 HB2 PHE 39 -13.427 4.751 6.696 305 HB3 PHE 39 HB1 PHE 39 -13.835 4.456 8.374 306 HD1 PHE 39 HD1 PHE 39 -12.487 6.961 6.038 307 HD2 PHE 39 HD2 PHE 39 -14.215 6.225 9.854 308 HE1 PHE 39 HE1 PHE 39 -12.725 9.386 6.382 309 HE2 PHE 39 HE2 PHE 39 -14.457 8.657 10.210 310 HZ PHE 39 HZ PHE 39 -13.834 10.224 8.460 311 H LYS 40 HN LYS 40 -11.060 4.251 10.353 312 HA LYS 40 HA LYS 40 -10.704 7.013 10.858 313 HB2 LYS 40 HB2 LYS 40 -9.959 4.662 12.562 314 HB3 LYS 40 HB1 LYS 40 -10.015 6.328 13.105 315 HG2 LYS 40 HG2 LYS 40 -12.340 4.683 12.135 316 HG3 LYS 40 HG1 LYS 40 -12.008 5.159 13.799 317 HD2 LYS 40 HD2 LYS 40 -12.623 7.027 11.509 318 HD3 LYS 40 HD1 LYS 40 -13.734 6.570 12.797 319 HE2 LYS 40 HE2 LYS 40 -12.199 7.578 14.442 320 HE3 LYS 40 HE1 LYS 40 -11.142 8.081 13.126 321 HZ1 LYS 40 HZ1 LYS 40 -12.603 9.870 13.871 322 HZ2 LYS 40 HZ2 LYS 40 -13.962 8.947 13.476 323 HZ3 LYS 40 HZ3 LYS 40 -12.904 9.460 12.260 324 H GLY 41 HN GLY 41 -8.328 4.370 10.454 325 HA2 GLY 41 HA2 GLY 41 -6.260 6.460 10.478 326 HA3 GLY 41 HA1 GLY 41 -6.106 5.094 11.562 327 H THR 42 HN THR 42 -4.122 4.627 10.631 328 HA THR 42 HA THR 42 -4.235 3.358 7.961 329 HB THR 42 HB THR 42 -1.647 3.803 8.113 330 HG1 THR 42 HG1 THR 42 -2.725 5.838 9.806 331 HG21 THR 42 HG21 THR 42 -3.115 4.750 6.401 332 HG22 THR 42 HG22 THR 42 -1.916 5.925 6.942 333 HG23 THR 42 HG23 THR 42 -3.582 6.038 7.512 334 H ARG 43 HN ARG 43 -2.520 1.664 7.727 335 HA ARG 43 HA ARG 43 -1.711 0.362 10.219 336 HB2 ARG 43 HB2 ARG 43 -3.027 -0.949 7.872 337 HB3 ARG 43 HB1 ARG 43 -2.035 -1.855 8.994 338 HG2 ARG 43 HG2 ARG 43 -4.532 -0.330 9.677 339 HG3 ARG 43 HG1 ARG 43 -4.410 -2.078 9.490 340 HD2 ARG 43 HD2 ARG 43 -3.042 -0.377 11.571 341 HD3 ARG 43 HD1 ARG 43 -4.379 -1.490 11.833 342 HE ARG 43 HE ARG 43 -1.963 -2.658 10.736 343 HH11 ARG 43 HH11 ARG 43 -3.902 -2.013 13.579 344 HH12 ARG 43 HH12 ARG 43 -3.073 -3.182 14.559 345 HH21 ARG 43 HH21 ARG 43 -0.887 -4.210 12.024 346 HH22 ARG 43 HH22 ARG 43 -1.375 -4.440 13.674 347 H ILE 44 HN ILE 44 0.457 0.446 10.160 348 HA ILE 44 HA ILE 44 1.541 0.890 7.495 349 HB ILE 44 HB ILE 44 2.668 1.783 10.137 350 HG12 ILE 44 HG12 ILE 44 2.216 4.007 8.763 351 HG13 ILE 44 HG11 ILE 44 1.040 2.989 7.948 352 HG21 ILE 44 HG21 ILE 44 3.608 2.466 7.367 353 HG22 ILE 44 HG22 ILE 44 4.346 1.179 8.328 354 HG23 ILE 44 HG23 ILE 44 4.400 2.854 8.897 355 HD11 ILE 44 HD11 ILE 44 1.118 3.569 10.899 356 HD12 ILE 44 HD12 ILE 44 -0.048 2.529 10.081 357 HD13 ILE 44 HD13 ILE 44 -0.005 4.254 9.725 358 H ILE 45 HN ILE 45 2.494 -0.526 6.586 359 HA ILE 45 HA ILE 45 3.657 -2.845 7.728 360 HB ILE 45 HB ILE 45 3.719 -1.741 5.002 361 HG12 ILE 45 HG12 ILE 45 2.074 -3.943 6.100 362 HG13 ILE 45 HG11 ILE 45 1.545 -2.272 6.006 363 HG21 ILE 45 HG21 ILE 45 4.270 -3.990 4.254 364 HG22 ILE 45 HG22 ILE 45 4.383 -4.506 5.934 365 HG23 ILE 45 HG23 ILE 45 5.533 -3.332 5.293 366 HD11 ILE 45 HD11 ILE 45 2.195 -2.398 3.572 367 HD12 ILE 45 HD12 ILE 45 0.700 -3.203 4.078 368 HD13 ILE 45 HD13 ILE 45 2.168 -4.145 3.806 369 H LYS 46 HN LYS 46 5.927 -3.427 7.436 370 HA LYS 46 HA LYS 46 7.689 -1.431 6.406 371 HB2 LYS 46 HB2 LYS 46 9.060 -1.121 8.418 372 HB3 LYS 46 HB1 LYS 46 7.416 -0.563 8.670 373 HG2 LYS 46 HG2 LYS 46 6.932 -2.715 9.823 374 HG3 LYS 46 HG1 LYS 46 8.651 -3.098 9.704 375 HD2 LYS 46 HD2 LYS 46 8.551 -2.164 11.805 376 HD3 LYS 46 HD1 LYS 46 8.947 -0.753 10.826 377 HE2 LYS 46 HE2 LYS 46 6.179 -1.537 11.738 378 HE3 LYS 46 HE1 LYS 46 7.179 -0.292 12.477 379 HZ1 LYS 46 HZ1 LYS 46 7.103 0.953 10.396 380 HZ2 LYS 46 HZ2 LYS 46 5.547 0.658 10.990 381 HZ3 LYS 46 HZ3 LYS 46 6.135 -0.252 9.698 382 H PHE 47 HN PHE 47 9.665 -2.209 5.829 383 HA PHE 47 HA PHE 47 10.467 -4.888 6.532 384 HB2 PHE 47 HB2 PHE 47 9.474 -4.208 3.771 385 HB3 PHE 47 HB1 PHE 47 10.698 -5.451 4.007 386 HD1 PHE 47 HD1 PHE 47 7.186 -4.549 4.493 387 HD2 PHE 47 HD2 PHE 47 10.151 -7.534 5.122 388 HE1 PHE 47 HE1 PHE 47 5.430 -6.194 4.939 389 HE2 PHE 47 HE2 PHE 47 8.391 -9.182 5.574 390 HZ PHE 47 HZ PHE 47 6.027 -8.481 5.609 391 H LYS 48 HN LYS 48 12.517 -4.786 6.827 392 HA LYS 48 HA LYS 48 14.067 -2.668 5.516 393 HB2 LYS 48 HB2 LYS 48 15.012 -2.125 7.709 394 HB3 LYS 48 HB1 LYS 48 13.264 -1.887 7.641 395 HG2 LYS 48 HG2 LYS 48 12.977 -4.106 8.730 396 HG3 LYS 48 HG1 LYS 48 14.726 -4.198 8.924 397 HD2 LYS 48 HD2 LYS 48 13.031 -1.962 10.024 398 HD3 LYS 48 HD1 LYS 48 13.472 -3.400 10.944 399 HE2 LYS 48 HE2 LYS 48 15.828 -2.867 10.684 400 HE3 LYS 48 HE1 LYS 48 15.419 -1.463 9.702 401 HZ1 LYS 48 HZ1 LYS 48 15.915 -0.847 11.984 402 HZ2 LYS 48 HZ2 LYS 48 14.673 -1.844 12.549 403 HZ3 LYS 48 HZ3 LYS 48 14.305 -0.490 11.602 404 H ASP 49 HN ASP 49 13.699 -5.749 5.707 405 HA ASP 49 HA ASP 49 16.573 -6.359 5.559 406 HB2 ASP 49 HB2 ASP 49 15.559 -7.224 7.686 407 HB3 ASP 49 HB1 ASP 49 14.461 -8.199 6.718 408 H ASP 50 HN ASP 50 13.884 -5.966 3.901 409 HA ASP 50 HA ASP 50 14.348 -8.181 2.022 410 HB2 ASP 50 HB2 ASP 50 12.048 -7.971 3.035 411 HB3 ASP 50 HB1 ASP 50 11.908 -6.443 2.190 412 H GLY 51 HN GLY 51 12.597 -5.290 1.183 413 HA2 GLY 51 HA2 GLY 51 13.093 -3.521 -0.189 414 HA3 GLY 51 HA1 GLY 51 14.777 -3.763 0.240 415 H THR 52 HN THR 52 13.112 -6.449 -1.139 416 HA THR 52 HA THR 52 14.787 -6.769 -3.328 417 HB THR 52 HB THR 52 12.943 -8.100 -4.319 418 HG1 THR 52 HG1 THR 52 11.679 -7.664 -1.803 419 HG21 THR 52 HG21 THR 52 13.107 -9.877 -2.629 420 HG22 THR 52 HG22 THR 52 13.781 -8.705 -1.495 421 HG23 THR 52 HG23 THR 52 14.663 -9.121 -2.966 422 H GLU 53 HN GLU 53 14.807 -6.188 -5.408 423 HA GLU 53 HA GLU 53 13.784 -3.625 -6.049 424 HB2 GLU 53 HB2 GLU 53 15.145 -5.714 -7.752 425 HB3 GLU 53 HB1 GLU 53 14.819 -4.069 -8.274 426 HG2 GLU 53 HG2 GLU 53 16.495 -4.750 -5.878 427 HG3 GLU 53 HG1 GLU 53 17.150 -4.509 -7.497 428 H ARG 54 HN ARG 54 13.186 -6.802 -7.549 429 HA ARG 54 HA ARG 54 11.070 -5.625 -9.170 430 HB2 ARG 54 HB2 ARG 54 12.727 -7.070 -10.251 431 HB3 ARG 54 HB1 ARG 54 12.284 -8.394 -9.186 432 HG2 ARG 54 HG2 ARG 54 10.024 -8.385 -10.155 433 HG3 ARG 54 HG1 ARG 54 10.527 -7.110 -11.266 434 HD2 ARG 54 HD2 ARG 54 10.641 -9.257 -12.375 435 HD3 ARG 54 HD1 ARG 54 12.264 -8.607 -12.160 436 HE ARG 54 HE ARG 54 11.504 -10.346 -10.026 437 HH11 ARG 54 HH11 ARG 54 12.691 -10.295 -13.316 438 HH12 ARG 54 HH12 ARG 54 13.493 -11.826 -13.187 439 HH21 ARG 54 HH21 ARG 54 12.554 -12.367 -9.852 440 HH22 ARG 54 HH22 ARG 54 13.413 -13.009 -11.215 441 H SER 55 HN SER 55 11.487 -7.774 -6.482 442 HA SER 55 HA SER 55 8.856 -8.909 -6.671 443 HB2 SER 55 HB2 SER 55 10.647 -9.040 -4.250 444 HB3 SER 55 HB1 SER 55 9.473 -10.225 -4.826 445 HG SER 55 HG SER 55 10.864 -10.516 -6.674 446 H ARG 56 HN ARG 56 10.406 -7.034 -4.059 447 HA ARG 56 HA ARG 56 9.537 -5.867 -2.346 448 HB2 ARG 56 HB2 ARG 56 8.846 -3.723 -3.068 449 HB3 ARG 56 HB1 ARG 56 10.023 -4.310 -4.215 450 HG2 ARG 56 HG2 ARG 56 7.251 -4.875 -4.954 451 HG3 ARG 56 HG1 ARG 56 7.653 -3.159 -4.868 452 HD2 ARG 56 HD2 ARG 56 9.572 -3.562 -6.356 453 HD3 ARG 56 HD1 ARG 56 9.104 -5.258 -6.474 454 HE ARG 56 HE ARG 56 6.872 -3.869 -7.229 455 HH11 ARG 56 HH11 ARG 56 10.211 -3.908 -8.284 456 HH12 ARG 56 HH12 ARG 56 9.818 -3.586 -9.946 457 HH21 ARG 56 HH21 ARG 56 6.347 -3.415 -9.409 458 HH22 ARG 56 HH22 ARG 56 7.630 -3.308 -10.585 459 H TRP 57 HN TRP 57 7.059 -4.216 -2.666 460 HA TRP 57 HA TRP 57 5.336 -6.309 -1.541 461 HB2 TRP 57 HB2 TRP 57 5.416 -3.426 -0.651 462 HB3 TRP 57 HB1 TRP 57 4.750 -4.815 0.209 463 HD1 TRP 57 HD1 TRP 57 6.491 -6.459 1.404 464 HE1 TRP 57 HE1 TRP 57 8.943 -6.157 2.105 465 HE3 TRP 57 HE3 TRP 57 7.584 -2.231 -1.225 466 HZ2 TRP 57 HZ2 TRP 57 11.053 -4.349 1.649 467 HZ3 TRP 57 HZ3 TRP 57 9.840 -1.269 -1.038 468 HH2 TRP 57 HH2 TRP 57 11.540 -2.309 0.371 469 H ASN 58 HN ASN 58 3.185 -6.252 -1.951 470 HA ASN 58 HA ASN 58 1.994 -3.982 -3.274 471 HB2 ASN 58 HB2 ASN 58 1.028 -5.366 -5.110 472 HB3 ASN 58 HB1 ASN 58 2.777 -5.205 -5.214 473 HD21 ASN 58 HD21 ASN 58 0.126 -7.352 -4.717 474 HD22 ASN 58 HD22 ASN 58 1.034 -8.820 -4.747 475 H CYS 59 HN CYS 59 -0.065 -3.694 -2.599 476 HA CYS 59 HA CYS 59 -1.125 -5.783 -0.829 477 HB2 CYS 59 HB2 CYS 59 -1.594 -2.809 -0.994 478 HB3 CYS 59 HB1 CYS 59 -2.751 -3.843 -0.161 479 H LEU 60 HN LEU 60 -3.283 -6.476 -1.008 480 HA LEU 60 HA LEU 60 -4.567 -5.877 -3.576 481 HB2 LEU 60 HB2 LEU 60 -4.760 -8.451 -2.002 482 HB3 LEU 60 HB1 LEU 60 -5.456 -8.130 -3.575 483 HG LEU 60 HG LEU 60 -2.509 -8.356 -2.966 484 HD11 LEU 60 HD11 LEU 60 -4.389 -10.197 -4.434 485 HD12 LEU 60 HD12 LEU 60 -3.650 -10.497 -2.862 486 HD13 LEU 60 HD13 LEU 60 -2.642 -10.402 -4.306 487 HD21 LEU 60 HD21 LEU 60 -2.213 -8.252 -5.391 488 HD22 LEU 60 HD22 LEU 60 -2.925 -6.767 -4.761 489 HD23 LEU 60 HD23 LEU 60 -3.939 -7.950 -5.589 490 H PHE 61 HN PHE 61 -6.463 -4.890 -3.297 491 HA PHE 61 HA PHE 61 -7.447 -4.758 -0.549 492 HB2 PHE 61 HB2 PHE 61 -7.776 -3.022 -2.990 493 HB3 PHE 61 HB1 PHE 61 -8.867 -2.843 -1.642 494 HD1 PHE 61 HD1 PHE 61 -6.494 -3.576 0.287 495 HD2 PHE 61 HD2 PHE 61 -7.073 -0.646 -2.728 496 HE1 PHE 61 HE1 PHE 61 -4.859 -2.187 1.370 497 HE2 PHE 61 HE2 PHE 61 -5.490 0.831 -1.595 498 HZ PHE 61 HZ PHE 61 -4.448 0.309 0.262 499 H ARG 62 HN ARG 62 -9.171 -6.020 -0.043 500 HA ARG 62 HA ARG 62 -11.234 -6.431 -2.089 501 HB2 ARG 62 HB2 ARG 62 -9.588 -8.348 -2.107 502 HB3 ARG 62 HB1 ARG 62 -10.096 -8.714 -0.468 503 HG2 ARG 62 HG2 ARG 62 -12.349 -9.152 -1.220 504 HG3 ARG 62 HG1 ARG 62 -11.916 -8.682 -2.865 505 HD2 ARG 62 HD2 ARG 62 -10.279 -10.523 -2.928 506 HD3 ARG 62 HD1 ARG 62 -10.793 -11.009 -1.315 507 HE ARG 62 HE ARG 62 -13.097 -11.001 -2.768 508 HH11 ARG 62 HH11 ARG 62 -9.976 -12.523 -3.153 509 HH12 ARG 62 HH12 ARG 62 -10.608 -13.916 -3.973 510 HH21 ARG 62 HH21 ARG 62 -13.942 -12.853 -3.845 511 HH22 ARG 62 HH22 ARG 62 -12.857 -14.102 -4.368 512 H GLN 63 HN GLN 63 -13.290 -7.007 -1.236 513 HA GLN 63 HA GLN 63 -13.631 -7.283 1.630 514 HB2 GLN 63 HB2 GLN 63 -13.639 -4.816 1.225 515 HB3 GLN 63 HB1 GLN 63 -14.986 -5.033 0.118 516 HG2 GLN 63 HG2 GLN 63 -16.320 -5.955 1.987 517 HG3 GLN 63 HG1 GLN 63 -14.980 -5.596 3.074 518 HE21 GLN 63 HE21 GLN 63 -16.206 -4.178 4.298 519 HE22 GLN 63 HE22 GLN 63 -16.670 -2.614 3.722 520 H GLY 64 HN GLY 64 -15.644 -8.244 2.159 521 HA2 GLY 64 HA2 GLY 64 -16.999 -9.737 0.174 522 HA3 GLY 64 HA1 GLY 64 -17.587 -9.434 1.809 523 H ILE 65 HN ILE 65 -18.550 -9.106 -1.250 524 HA ILE 65 HA ILE 65 -19.825 -6.542 -0.882 525 HB ILE 65 HB ILE 65 -17.507 -6.054 -1.580 526 HG12 ILE 65 HG12 ILE 65 -18.087 -4.513 -3.438 527 HG13 ILE 65 HG11 ILE 65 -19.649 -5.302 -3.586 528 HG21 ILE 65 HG21 ILE 65 -16.934 -6.580 -3.966 529 HG22 ILE 65 HG22 ILE 65 -18.389 -7.585 -3.987 530 HG23 ILE 65 HG23 ILE 65 -17.080 -7.972 -2.881 531 HD11 ILE 65 HD11 ILE 65 -20.234 -4.579 -1.337 532 HD12 ILE 65 HD12 ILE 65 -19.813 -3.209 -2.362 533 HD13 ILE 65 HD13 ILE 65 -18.659 -3.808 -1.171 534 H ASN 66 HN ASN 66 -21.083 -5.881 -2.821 535 HA ASN 66 HA ASN 66 -22.673 -7.711 -4.155 536 HB2 ASN 66 HB2 ASN 66 -21.759 -4.940 -4.958 537 HB3 ASN 66 HB1 ASN 66 -23.025 -5.827 -5.796 538 HD21 ASN 66 HD21 ASN 66 -24.548 -4.257 -5.319 539 HD22 ASN 66 HD22 ASN 66 -25.211 -4.066 -3.732 540 H MET 67 HN MET 67 -22.095 -6.584 -6.928 541 HA MET 67 HA MET 67 -21.075 -8.674 -8.256 542 HB2 MET 67 HB2 MET 67 -20.324 -5.815 -8.902 543 HB3 MET 67 HB1 MET 67 -20.284 -7.168 -10.020 544 HG2 MET 67 HG2 MET 67 -22.694 -7.383 -9.882 545 HG3 MET 67 HG1 MET 67 -22.758 -6.069 -8.708 546 HE1 MET 67 HE1 MET 67 -24.556 -6.015 -11.307 547 HE2 MET 67 HE2 MET 67 -24.330 -4.342 -11.815 548 HE3 MET 67 HE3 MET 67 -24.506 -4.727 -10.104 549 H LYS 68 HN LYS 68 -18.962 -5.973 -7.239 550 HA LYS 68 HA LYS 68 -17.283 -7.586 -5.719 551 HB2 LYS 68 HB2 LYS 68 -16.230 -7.009 -8.417 552 HB3 LYS 68 HB1 LYS 68 -15.164 -6.977 -7.032 553 HG2 LYS 68 HG2 LYS 68 -16.782 -9.340 -7.950 554 HG3 LYS 68 HG1 LYS 68 -15.056 -9.104 -8.211 555 HD2 LYS 68 HD2 LYS 68 -14.815 -10.287 -6.318 556 HD3 LYS 68 HD1 LYS 68 -15.261 -8.786 -5.506 557 HE2 LYS 68 HE2 LYS 68 -16.556 -10.723 -4.698 558 HE3 LYS 68 HE1 LYS 68 -17.576 -9.479 -5.417 559 HZ1 LYS 68 HZ1 LYS 68 -16.677 -11.961 -6.773 560 HZ2 LYS 68 HZ2 LYS 68 -17.673 -10.772 -7.446 561 HZ3 LYS 68 HZ3 LYS 68 -18.221 -11.692 -6.140 562 H PHE 69 HN PHE 69 -15.174 -6.405 -5.229 563 HA PHE 69 HA PHE 69 -14.910 -3.632 -5.693 564 HB2 PHE 69 HB2 PHE 69 -16.725 -3.464 -4.047 565 HB3 PHE 69 HB1 PHE 69 -15.836 -4.484 -2.922 566 HD1 PHE 69 HD1 PHE 69 -15.705 -1.237 -4.704 567 HD2 PHE 69 HD2 PHE 69 -14.385 -3.527 -1.372 568 HE1 PHE 69 HE1 PHE 69 -14.699 0.779 -3.722 569 HE2 PHE 69 HE2 PHE 69 -13.373 -1.513 -0.387 570 HZ PHE 69 HZ PHE 69 -13.531 0.643 -1.562 571 H PHE 70 HN PHE 70 -12.769 -3.716 -5.952 572 HA PHE 70 HA PHE 70 -11.000 -5.204 -4.179 573 HB2 PHE 70 HB2 PHE 70 -12.024 -6.831 -5.790 574 HB3 PHE 70 HB1 PHE 70 -11.341 -5.891 -7.105 575 HD1 PHE 70 HD1 PHE 70 -10.249 -7.495 -3.926 576 HD2 PHE 70 HD2 PHE 70 -9.414 -6.549 -7.956 577 HE1 PHE 70 HE1 PHE 70 -8.182 -8.791 -3.790 578 HE2 PHE 70 HE2 PHE 70 -7.383 -7.819 -7.865 579 HZ PHE 70 HZ PHE 70 -6.656 -8.846 -5.520 580 H THR 71 HN THR 71 -8.681 -4.880 -5.023 581 HA THR 71 HA THR 71 -8.061 -3.884 -7.460 582 HB THR 71 HB THR 71 -9.177 -1.739 -6.403 583 HG1 THR 71 HG1 THR 71 -7.292 -2.207 -8.316 584 HG21 THR 71 HG21 THR 71 -6.359 -1.675 -5.406 585 HG22 THR 71 HG22 THR 71 -7.845 -1.294 -4.525 586 HG23 THR 71 HG23 THR 71 -7.227 -0.177 -5.779 587 H GLU 72 HN GLU 72 -5.958 -3.680 -7.869 588 HA GLU 72 HA GLU 72 -4.292 -4.793 -5.735 589 HB2 GLU 72 HB2 GLU 72 -3.103 -5.974 -7.529 590 HB3 GLU 72 HB1 GLU 72 -4.822 -6.344 -7.546 591 HG2 GLU 72 HG2 GLU 72 -3.539 -4.335 -9.382 592 HG3 GLU 72 HG1 GLU 72 -3.770 -6.030 -9.794 593 H VAL 73 HN VAL 73 -2.985 -3.236 -4.962 594 HA VAL 73 HA VAL 73 -1.933 -1.297 -6.906 595 HB VAL 73 HB VAL 73 -1.928 -0.477 -4.086 596 HG11 VAL 73 HG11 VAL 73 -1.117 0.940 -5.906 597 HG12 VAL 73 HG12 VAL 73 -2.486 1.679 -5.077 598 HG13 VAL 73 HG13 VAL 73 -2.719 0.907 -6.644 599 HG21 VAL 73 HG21 VAL 73 -4.510 -0.543 -5.638 600 HG22 VAL 73 HG22 VAL 73 -4.257 0.241 -4.066 601 HG23 VAL 73 HG23 VAL 73 -4.143 -1.518 -4.207 602 H GLU 74 HN GLU 74 0.231 -1.320 -7.132 603 HA GLU 74 HA GLU 74 1.888 -2.952 -5.519 604 HB2 GLU 74 HB2 GLU 74 2.470 -0.857 -7.603 605 HB3 GLU 74 HB1 GLU 74 3.742 -1.714 -6.751 606 HG2 GLU 74 HG2 GLU 74 2.773 -3.848 -7.569 607 HG3 GLU 74 HG1 GLU 74 1.640 -2.905 -8.535 608 H ALA 75 HN ALA 75 2.860 -2.518 -3.709 609 HA ALA 75 HA ALA 75 2.229 -0.159 -2.235 610 HB1 ALA 75 HB1 ALA 75 3.501 -1.237 -0.450 611 HB2 ALA 75 HB2 ALA 75 4.076 -2.452 -1.589 612 HB3 ALA 75 HB3 ALA 75 2.363 -2.368 -1.182 613 H TYR 76 HN TYR 76 5.114 -1.570 -3.688 614 HA TYR 76 HA TYR 76 6.296 1.069 -3.739 615 HB2 TYR 76 HB2 TYR 76 6.798 -0.433 -1.533 616 HB3 TYR 76 HB1 TYR 76 8.158 -0.877 -2.573 617 HD1 TYR 76 HD1 TYR 76 9.982 0.612 -2.835 618 HD2 TYR 76 HD2 TYR 76 6.365 2.015 -1.097 619 HE1 TYR 76 HE1 TYR 76 11.080 2.716 -2.260 620 HE2 TYR 76 HE2 TYR 76 7.450 4.125 -0.512 621 HH TYR 76 HH TYR 76 10.249 5.182 -1.826 622 H ARG 77 HN ARG 77 8.388 1.113 -4.776 623 HA ARG 77 HA ARG 77 9.329 -1.236 -6.163 624 HB2 ARG 77 HB2 ARG 77 7.662 -0.283 -7.734 625 HB3 ARG 77 HB1 ARG 77 8.502 1.257 -7.678 626 HG2 ARG 77 HG2 ARG 77 10.383 0.375 -8.818 627 HG3 ARG 77 HG1 ARG 77 9.796 -1.280 -8.638 628 HD2 ARG 77 HD2 ARG 77 9.432 -0.393 -10.909 629 HD3 ARG 77 HD1 ARG 77 7.925 -0.817 -10.100 630 HE ARG 77 HE ARG 77 8.852 1.972 -10.094 631 HH11 ARG 77 HH11 ARG 77 6.493 -0.431 -11.076 632 HH12 ARG 77 HH12 ARG 77 5.326 0.742 -11.592 633 HH21 ARG 77 HH21 ARG 77 7.311 3.516 -10.771 634 HH22 ARG 77 HH22 ARG 77 5.788 2.987 -11.409 635 HA PRO 78 HA PRO 78 12.427 1.590 -4.403 636 HB2 PRO 78 HB2 PRO 78 13.912 -0.232 -3.143 637 HB3 PRO 78 HB1 PRO 78 12.313 0.220 -2.541 638 HG2 PRO 78 HG2 PRO 78 13.152 -2.211 -4.053 639 HG3 PRO 78 HG1 PRO 78 11.977 -2.056 -2.736 640 HD2 PRO 78 HD2 PRO 78 11.370 -2.176 -5.461 641 HD3 PRO 78 HD1 PRO 78 10.281 -1.612 -4.179 642 H ASP 79 HN ASP 79 14.648 2.008 -4.726 643 HA ASP 79 HA ASP 79 15.800 0.689 -7.052 644 HB2 ASP 79 HB2 ASP 79 16.377 3.323 -5.778 645 HB3 ASP 79 HB1 ASP 79 17.420 2.618 -7.003 646 H LEU 80 HN LEU 80 18.023 0.076 -7.050 647 HA LEU 80 HA LEU 80 19.017 -0.758 -4.477 648 HB2 LEU 80 HB2 LEU 80 18.931 -2.256 -6.511 649 HB3 LEU 80 HB1 LEU 80 20.223 -1.277 -7.158 650 HG LEU 80 HG LEU 80 20.863 -3.506 -6.106 651 HD11 LEU 80 HD11 LEU 80 22.916 -2.627 -5.125 652 HD12 LEU 80 HD12 LEU 80 22.210 -1.012 -5.089 653 HD13 LEU 80 HD13 LEU 80 22.516 -1.805 -6.633 654 HD21 LEU 80 HD21 LEU 80 20.401 -1.957 -3.562 655 HD22 LEU 80 HD22 LEU 80 21.117 -3.563 -3.697 656 HD23 LEU 80 HD23 LEU 80 19.427 -3.311 -4.129 657 H LYS 81 HN LYS 81 19.841 1.261 -7.085 658 HA LYS 81 HA LYS 81 22.261 2.202 -5.781 659 HB2 LYS 81 HB2 LYS 81 22.237 3.737 -7.954 660 HB3 LYS 81 HB1 LYS 81 22.834 2.088 -7.971 661 HG2 LYS 81 HG2 LYS 81 21.509 2.310 -9.891 662 HG3 LYS 81 HG1 LYS 81 20.530 1.396 -8.749 663 HD2 LYS 81 HD2 LYS 81 19.218 3.338 -8.228 664 HD3 LYS 81 HD1 LYS 81 20.290 4.371 -9.179 665 HE2 LYS 81 HE2 LYS 81 19.651 3.191 -11.211 666 HE3 LYS 81 HE1 LYS 81 18.620 2.110 -10.278 667 HZ1 LYS 81 HZ1 LYS 81 18.228 5.047 -10.392 668 HZ2 LYS 81 HZ2 LYS 81 17.163 3.887 -9.756 669 HZ3 LYS 81 HZ3 LYS 81 17.448 3.959 -11.422 670 H HIS 82 HN HIS 82 19.019 3.229 -6.363 671 HA HIS 82 HA HIS 82 19.563 5.780 -5.032 672 HB2 HIS 82 HB2 HIS 82 18.224 6.369 -6.792 673 HB3 HIS 82 HB1 HIS 82 17.463 4.791 -6.885 674 HD1 HIS 82 HD1 HIS 82 15.137 4.628 -6.068 675 HD2 HIS 82 HD2 HIS 82 17.090 8.036 -4.639 676 HE1 HIS 82 HE1 HIS 82 13.378 5.997 -4.880 677 HE2 HIS 82 HE2 HIS 82 14.566 8.063 -4.064 678 HA PRO 83 HA PRO 83 18.357 3.386 -1.482 679 HB2 PRO 83 HB2 PRO 83 19.250 5.070 0.400 680 HB3 PRO 83 HB1 PRO 83 20.354 4.137 -0.618 681 HG2 PRO 83 HG2 PRO 83 19.530 7.004 -0.850 682 HG3 PRO 83 HG1 PRO 83 21.136 6.281 -1.050 683 HD2 PRO 83 HD2 PRO 83 19.475 6.947 -3.133 684 HD3 PRO 83 HD1 PRO 83 20.732 5.698 -3.223 685 H LEU 84 HN LEU 84 16.646 3.257 -0.195 686 HA LEU 84 HA LEU 84 15.315 5.663 0.774 687 HB2 LEU 84 HB2 LEU 84 13.479 3.447 0.120 688 HB3 LEU 84 HB1 LEU 84 13.217 5.177 0.042 689 HG LEU 84 HG LEU 84 14.826 4.983 -2.061 690 HD11 LEU 84 HD11 LEU 84 15.228 2.595 -1.806 691 HD12 LEU 84 HD12 LEU 84 14.394 2.946 -3.318 692 HD13 LEU 84 HD13 LEU 84 13.500 2.281 -1.952 693 HD21 LEU 84 HD21 LEU 84 11.883 4.409 -1.935 694 HD22 LEU 84 HD22 LEU 84 12.750 4.677 -3.445 695 HD23 LEU 84 HD23 LEU 84 12.682 5.953 -2.229 696 H CYS 85 HN CYS 85 14.750 5.388 2.876 697 HA CYS 85 HA CYS 85 14.413 2.900 4.133 698 HB2 CYS 85 HB2 CYS 85 16.543 2.635 5.316 699 HB3 CYS 85 HB1 CYS 85 16.823 2.719 3.590 700 H GLY 86 HN GLY 86 14.668 6.127 4.060 701 HA2 GLY 86 HA2 GLY 86 13.759 6.504 6.825 702 HA3 GLY 86 HA1 GLY 86 14.306 7.785 5.749 703 H LYS 87 HN LYS 87 12.123 5.286 4.656 704 HA LYS 87 HA LYS 87 10.297 7.466 3.899 705 HB2 LYS 87 HB2 LYS 87 11.551 5.612 2.337 706 HB3 LYS 87 HB1 LYS 87 10.008 4.835 2.658 707 HG2 LYS 87 HG2 LYS 87 9.785 5.983 0.618 708 HG3 LYS 87 HG1 LYS 87 8.878 6.885 1.828 709 HD2 LYS 87 HD2 LYS 87 10.450 8.602 1.902 710 HD3 LYS 87 HD1 LYS 87 11.714 7.601 1.180 711 HE2 LYS 87 HE2 LYS 87 10.537 7.615 -0.944 712 HE3 LYS 87 HE1 LYS 87 9.225 8.553 -0.233 713 HZ1 LYS 87 HZ1 LYS 87 10.625 10.409 0.025 714 HZ2 LYS 87 HZ2 LYS 87 10.898 9.841 -1.546 715 HZ3 LYS 87 HZ3 LYS 87 12.020 9.514 -0.327 716 H ARG 88 HN ARG 88 8.184 7.357 4.294 717 HA ARG 88 HA ARG 88 6.888 4.886 5.123 718 HB2 ARG 88 HB2 ARG 88 6.605 7.406 6.784 719 HB3 ARG 88 HB1 ARG 88 5.849 5.853 7.093 720 HG2 ARG 88 HG2 ARG 88 7.990 4.877 7.631 721 HG3 ARG 88 HG1 ARG 88 8.808 6.383 7.210 722 HD2 ARG 88 HD2 ARG 88 6.784 6.037 9.415 723 HD3 ARG 88 HD1 ARG 88 8.531 6.133 9.632 724 HE ARG 88 HE ARG 88 8.034 8.419 8.346 725 HH11 ARG 88 HH11 ARG 88 6.447 6.933 11.083 726 HH12 ARG 88 HH12 ARG 88 5.965 8.442 11.788 727 HH21 ARG 88 HH21 ARG 88 7.397 10.403 9.251 728 HH22 ARG 88 HH22 ARG 88 6.514 10.428 10.744 729 H TYR 89 HN TYR 89 5.723 5.027 3.195 730 HA TYR 89 HA TYR 89 3.517 6.904 3.167 731 HB2 TYR 89 HB2 TYR 89 5.575 6.868 0.944 732 HB3 TYR 89 HB1 TYR 89 3.971 7.572 0.779 733 HD1 TYR 89 HD1 TYR 89 3.376 9.591 2.081 734 HD2 TYR 89 HD2 TYR 89 7.323 8.017 2.095 735 HE1 TYR 89 HE1 TYR 89 4.216 11.728 2.942 736 HE2 TYR 89 HE2 TYR 89 8.178 10.156 2.962 737 HH TYR 89 HH TYR 89 6.138 12.586 4.188 738 H GLU 90 HN GLU 90 1.830 6.200 1.612 739 HA GLU 90 HA GLU 90 2.270 3.934 0.044 740 HB2 GLU 90 HB2 GLU 90 2.332 2.768 2.008 741 HB3 GLU 90 HB1 GLU 90 0.810 3.467 2.513 742 HG2 GLU 90 HG2 GLU 90 0.353 1.383 1.769 743 HG3 GLU 90 HG1 GLU 90 -0.214 2.474 0.521 744 H LEU 91 HN LEU 91 0.338 3.073 -1.039 745 HA LEU 91 HA LEU 91 -1.626 4.816 -1.817 746 HB2 LEU 91 HB2 LEU 91 -3.006 2.540 -1.967 747 HB3 LEU 91 HB1 LEU 91 -1.808 3.000 -3.156 748 HG LEU 91 HG LEU 91 -0.617 1.549 -0.942 749 HD11 LEU 91 HD11 LEU 91 -1.591 -0.642 -1.577 750 HD12 LEU 91 HD12 LEU 91 -2.836 0.230 -2.472 751 HD13 LEU 91 HD13 LEU 91 -2.703 0.428 -0.727 752 HD21 LEU 91 HD21 LEU 91 -0.758 1.156 -3.916 753 HD22 LEU 91 HD22 LEU 91 0.215 0.168 -2.830 754 HD23 LEU 91 HD23 LEU 91 0.551 1.891 -2.993 755 H SER 92 HN SER 92 -3.734 5.136 -1.289 756 HA SER 92 HA SER 92 -4.713 4.071 1.243 757 HB2 SER 92 HB2 SER 92 -5.568 6.457 1.732 758 HB3 SER 92 HB1 SER 92 -3.860 6.141 2.030 759 HG SER 92 HG SER 92 -3.761 6.915 -0.351 760 H ALA 93 HN ALA 93 -6.682 3.428 1.065 761 HA ALA 93 HA ALA 93 -7.923 3.709 -1.510 762 HB1 ALA 93 HB1 ALA 93 -7.729 1.607 -0.108 763 HB2 ALA 93 HB2 ALA 93 -9.264 1.950 -0.918 764 HB3 ALA 93 HB3 ALA 93 -9.086 2.261 0.815 765 H ARG 94 HN ARG 94 -8.964 5.480 -1.871 766 HA ARG 94 HA ARG 94 -10.371 6.741 0.413 767 HB2 ARG 94 HB2 ARG 94 -8.723 8.042 -1.758 768 HB3 ARG 94 HB1 ARG 94 -9.837 8.936 -0.737 769 HG2 ARG 94 HG2 ARG 94 -8.539 8.180 1.241 770 HG3 ARG 94 HG1 ARG 94 -7.372 7.446 0.136 771 HD2 ARG 94 HD2 ARG 94 -6.899 9.596 -0.858 772 HD3 ARG 94 HD1 ARG 94 -8.158 10.357 0.109 773 HE ARG 94 HE ARG 94 -6.383 9.203 1.891 774 HH11 ARG 94 HH11 ARG 94 -6.330 11.678 -0.572 775 HH12 ARG 94 HH12 ARG 94 -5.082 12.606 0.197 776 HH21 ARG 94 HH21 ARG 94 -4.754 10.443 2.934 777 HH22 ARG 94 HH22 ARG 94 -4.199 11.913 2.198 778 H MET 95 HN MET 95 -11.893 7.938 0.178 779 HA MET 95 HA MET 95 -14.164 7.656 -0.661 780 HB2 MET 95 HB2 MET 95 -12.932 10.286 -1.455 781 HB3 MET 95 HB1 MET 95 -14.543 9.996 -0.811 782 HG2 MET 95 HG2 MET 95 -13.597 9.351 1.334 783 HG3 MET 95 HG1 MET 95 -11.956 9.571 0.723 784 HE1 MET 95 HE1 MET 95 -15.341 11.342 1.664 785 HE2 MET 95 HE2 MET 95 -15.123 11.843 -0.013 786 HE3 MET 95 HE3 MET 95 -14.986 13.027 1.285 787 H ASP 96 HN ASP 96 -12.150 9.294 -3.178 788 HA ASP 96 HA ASP 96 -14.186 8.477 -5.111 789 HB2 ASP 96 HB2 ASP 96 -13.302 10.172 -6.597 790 HB3 ASP 96 HB1 ASP 96 -13.617 10.870 -5.013 791 H ALA 97 HN ALA 97 -10.879 7.846 -4.303 792 HA ALA 97 HA ALA 97 -10.721 5.690 -6.152 793 HB1 ALA 97 HB1 ALA 97 -8.623 6.524 -7.338 794 HB2 ALA 97 HB2 ALA 97 -9.078 8.148 -6.761 795 HB3 ALA 97 HB3 ALA 97 -10.158 7.272 -7.844 796 H ILE 98 HN ILE 98 -8.500 4.794 -6.149 797 HA ILE 98 HA ILE 98 -7.445 4.698 -3.493 798 HB ILE 98 HB ILE 98 -6.865 3.368 -6.116 799 HG12 ILE 98 HG12 ILE 98 -8.749 2.896 -4.315 800 HG13 ILE 98 HG11 ILE 98 -7.965 1.583 -5.189 801 HG21 ILE 98 HG21 ILE 98 -4.665 3.688 -5.117 802 HG22 ILE 98 HG22 ILE 98 -5.138 2.003 -4.888 803 HG23 ILE 98 HG23 ILE 98 -5.246 3.144 -3.544 804 HD11 ILE 98 HD11 ILE 98 -8.258 1.284 -2.733 805 HD12 ILE 98 HD12 ILE 98 -7.070 2.581 -2.523 806 HD13 ILE 98 HD13 ILE 98 -6.618 1.081 -3.344 807 H TYR 99 HN TYR 99 -6.057 6.104 -2.755 808 HA TYR 99 HA TYR 99 -4.712 7.898 -4.647 809 HB2 TYR 99 HB2 TYR 99 -5.694 8.124 -1.848 810 HB3 TYR 99 HB1 TYR 99 -4.306 9.102 -2.296 811 HD1 TYR 99 HD1 TYR 99 -7.605 8.184 -3.808 812 HD2 TYR 99 HD2 TYR 99 -4.818 11.262 -2.897 813 HE1 TYR 99 HE1 TYR 99 -9.129 9.844 -4.784 814 HE2 TYR 99 HE2 TYR 99 -6.336 12.930 -3.870 815 HH TYR 99 HH TYR 99 -9.599 12.145 -4.737 816 H PHE 100 HN PHE 100 -2.698 7.294 -5.141 817 HA PHE 100 HA PHE 100 -1.033 6.043 -3.108 818 HB2 PHE 100 HB2 PHE 100 -0.937 5.152 -5.402 819 HB3 PHE 100 HB1 PHE 100 -0.400 6.725 -5.988 820 HD1 PHE 100 HD1 PHE 100 1.855 7.086 -6.245 821 HD2 PHE 100 HD2 PHE 100 0.535 4.142 -3.471 822 HE1 PHE 100 HE1 PHE 100 4.190 6.459 -5.806 823 HE2 PHE 100 HE2 PHE 100 2.869 3.507 -3.028 824 HZ PHE 100 HZ PHE 100 4.699 4.668 -4.196 825 H LYS 101 HN LYS 101 0.209 7.231 -1.793 826 HA LYS 101 HA LYS 101 1.025 9.881 -2.732 827 HB2 LYS 101 HB2 LYS 101 0.506 10.800 -0.471 828 HB3 LYS 101 HB1 LYS 101 -0.894 10.329 -1.416 829 HG2 LYS 101 HG2 LYS 101 -0.916 8.175 -0.128 830 HG3 LYS 101 HG1 LYS 101 0.320 8.877 0.918 831 HD2 LYS 101 HD2 LYS 101 -1.216 10.744 1.423 832 HD3 LYS 101 HD1 LYS 101 -2.453 9.966 0.436 833 HE2 LYS 101 HE2 LYS 101 -2.901 9.427 2.715 834 HE3 LYS 101 HE1 LYS 101 -2.281 7.973 1.934 835 HZ1 LYS 101 HZ1 LYS 101 -1.272 8.296 4.100 836 HZ2 LYS 101 HZ2 LYS 101 -0.713 9.824 3.644 837 HZ3 LYS 101 HZ3 LYS 101 -0.107 8.447 2.884 838 H MET 102 HN MET 102 3.014 10.276 -2.516 839 HA MET 102 HA MET 102 4.555 9.336 -0.223 840 HB2 MET 102 HB2 MET 102 5.506 9.061 -3.090 841 HB3 MET 102 HB1 MET 102 6.498 8.796 -1.666 842 HG2 MET 102 HG2 MET 102 4.791 6.994 -1.046 843 HG3 MET 102 HG1 MET 102 4.236 7.138 -2.713 844 HE1 MET 102 HE1 MET 102 5.965 6.887 -4.808 845 HE2 MET 102 HE2 MET 102 7.615 6.290 -4.629 846 HE3 MET 102 HE3 MET 102 7.186 7.889 -4.022 847 H ASP 103 HN ASP 103 6.649 10.660 -0.100 848 HA ASP 103 HA ASP 103 5.980 13.396 -0.509 849 HB2 ASP 103 HB2 ASP 103 8.189 13.932 0.302 850 HB3 ASP 103 HB1 ASP 103 7.420 12.748 1.350 851 H GLU 104 HN GLU 104 7.337 14.942 -1.628 852 HA GLU 104 HA GLU 104 8.294 15.802 -3.494 853 HB2 GLU 104 HB2 GLU 104 10.047 14.076 -2.969 854 HB3 GLU 104 HB1 GLU 104 9.243 13.040 -4.126 855 HG2 GLU 104 HG2 GLU 104 9.611 14.860 -5.831 856 HG3 GLU 104 HG1 GLU 104 10.662 15.626 -4.641 857 H ARG 105 HN ARG 105 5.881 13.625 -3.409 858 HA ARG 105 HA ARG 105 5.129 14.154 -6.213 859 HB2 ARG 105 HB2 ARG 105 4.847 11.497 -4.788 860 HB3 ARG 105 HB1 ARG 105 4.158 11.870 -6.362 861 HG2 ARG 105 HG2 ARG 105 6.409 12.205 -7.263 862 HG3 ARG 105 HG1 ARG 105 7.091 11.812 -5.684 863 HD2 ARG 105 HD2 ARG 105 7.188 9.880 -7.146 864 HD3 ARG 105 HD1 ARG 105 6.072 9.581 -5.815 865 HE ARG 105 HE ARG 105 4.679 10.592 -8.063 866 HH11 ARG 105 HH11 ARG 105 6.280 7.687 -6.948 867 HH12 ARG 105 HH12 ARG 105 5.272 6.623 -7.878 868 HH21 ARG 105 HH21 ARG 105 3.368 9.193 -9.302 869 HH22 ARG 105 HH22 ARG 105 3.621 7.478 -9.223 870 HA PRO 106 HA PRO 106 1.412 15.488 -4.154 871 HB2 PRO 106 HB2 PRO 106 -0.130 15.828 -6.370 872 HB3 PRO 106 HB1 PRO 106 1.112 16.980 -5.866 873 HG2 PRO 106 HG2 PRO 106 1.222 14.870 -7.978 874 HG3 PRO 106 HG1 PRO 106 1.884 16.514 -7.997 875 HD2 PRO 106 HD2 PRO 106 3.392 14.293 -7.529 876 HD3 PRO 106 HD1 PRO 106 3.783 15.895 -6.871 877 HA PRO 107 HA PRO 107 -0.774 11.566 -3.697 878 HB2 PRO 107 HB2 PRO 107 -2.739 13.413 -2.433 879 HB3 PRO 107 HB1 PRO 107 -2.035 11.921 -1.803 880 HG2 PRO 107 HG2 PRO 107 -1.232 14.283 -0.888 881 HG3 PRO 107 HG1 PRO 107 -0.068 12.969 -1.149 882 HD2 PRO 107 HD2 PRO 107 -0.600 15.393 -2.815 883 HD3 PRO 107 HD1 PRO 107 0.941 14.596 -2.442 884 H GLN 108 HN GLN 108 -1.742 10.824 -5.489 885 HA GLN 108 HA GLN 108 -4.042 12.303 -6.559 886 HB2 GLN 108 HB2 GLN 108 -1.721 11.176 -8.132 887 HB3 GLN 108 HB1 GLN 108 -3.223 11.732 -8.858 888 HG2 GLN 108 HG2 GLN 108 -2.822 13.967 -8.196 889 HG3 GLN 108 HG1 GLN 108 -1.484 13.486 -7.152 890 HE21 GLN 108 HE21 GLN 108 0.473 12.916 -8.062 891 HE22 GLN 108 HE22 GLN 108 0.891 13.346 -9.689 892 HA PRO 109 HA PRO 109 -6.146 8.387 -6.850 893 HB2 PRO 109 HB2 PRO 109 -6.911 9.222 -9.594 894 HB3 PRO 109 HB1 PRO 109 -7.937 8.735 -8.244 895 HG2 PRO 109 HG2 PRO 109 -7.777 11.287 -8.973 896 HG3 PRO 109 HG1 PRO 109 -7.862 10.833 -7.260 897 HD2 PRO 109 HD2 PRO 109 -5.496 11.686 -8.880 898 HD3 PRO 109 HD1 PRO 109 -5.923 12.094 -7.205 899 H LEU 110 HN LEU 110 -4.901 6.662 -7.105 900 HA LEU 110 HA LEU 110 -3.168 6.431 -9.414 901 HB2 LEU 110 HB2 LEU 110 -2.460 6.020 -6.991 902 HB3 LEU 110 HB1 LEU 110 -3.380 4.537 -7.087 903 HG LEU 110 HG LEU 110 -0.874 4.344 -7.390 904 HD11 LEU 110 HD11 LEU 110 -2.641 3.285 -9.585 905 HD12 LEU 110 HD12 LEU 110 -2.353 2.535 -8.016 906 HD13 LEU 110 HD13 LEU 110 -1.035 2.681 -9.178 907 HD21 LEU 110 HD21 LEU 110 -1.495 5.517 -10.094 908 HD22 LEU 110 HD22 LEU 110 0.055 4.866 -9.561 909 HD23 LEU 110 HD23 LEU 110 -0.594 6.322 -8.808 910 H ASN 111 HN ASN 111 -6.060 5.093 -8.093 911 HA ASN 111 HA ASN 111 -6.874 3.711 -10.364 912 HB2 ASN 111 HB2 ASN 111 -4.781 2.267 -9.539 913 HB3 ASN 111 HB1 ASN 111 -5.996 1.645 -8.396 914 HD21 ASN 111 HD21 ASN 111 -7.597 0.324 -9.113 915 HD22 ASN 111 HD22 ASN 111 -7.672 -0.301 -10.725 916 H LYS 112 HN LYS 112 -8.933 4.115 -9.798 917 HA LYS 112 HA LYS 112 -9.801 3.993 -7.135 918 HB2 LYS 112 HB2 LYS 112 -12.111 4.146 -8.006 919 HB3 LYS 112 HB1 LYS 112 -11.053 5.362 -8.679 920 HG2 LYS 112 HG2 LYS 112 -12.191 4.719 -10.554 921 HG3 LYS 112 HG1 LYS 112 -10.819 3.614 -10.631 922 HD2 LYS 112 HD2 LYS 112 -12.162 1.874 -9.550 923 HD3 LYS 112 HD1 LYS 112 -13.532 2.982 -9.471 924 HE2 LYS 112 HE2 LYS 112 -13.570 3.108 -11.912 925 HE3 LYS 112 HE1 LYS 112 -12.191 2.013 -11.994 926 HZ1 LYS 112 HZ1 LYS 112 -14.857 1.354 -10.870 927 HZ2 LYS 112 HZ2 LYS 112 -13.538 0.301 -10.949 928 HZ3 LYS 112 HZ3 LYS 112 -14.267 0.846 -12.371 929 H TRP 113 HN TRP 113 -10.857 2.511 -6.037 930 HA TRP 113 HA TRP 113 -9.890 -0.078 -6.484 931 HB2 TRP 113 HB2 TRP 113 -11.630 -0.338 -4.423 932 HB3 TRP 113 HB1 TRP 113 -9.964 0.269 -4.272 933 HD1 TRP 113 HD1 TRP 113 -9.916 2.390 -2.823 934 HE1 TRP 113 HE1 TRP 113 -11.374 4.492 -2.511 935 HE3 TRP 113 HE3 TRP 113 -13.787 1.223 -5.983 936 HZ2 TRP 113 HZ2 TRP 113 -13.816 5.494 -3.432 937 HZ3 TRP 113 HZ3 TRP 113 -15.643 2.817 -6.194 938 HH2 TRP 113 HH2 TRP 113 -15.658 4.910 -4.942 939 H ARG 114 HN ARG 114 -10.714 -0.904 -8.269 940 HA ARG 114 HA ARG 114 -12.264 -1.725 -9.808 941 HB2 ARG 114 HB2 ARG 114 -12.054 -3.227 -7.316 942 HB3 ARG 114 HB1 ARG 114 -13.396 -3.718 -8.335 943 HG2 ARG 114 HG2 ARG 114 -11.367 -5.024 -8.779 944 HG3 ARG 114 HG1 ARG 114 -11.887 -4.112 -10.195 945 HD2 ARG 114 HD2 ARG 114 -10.223 -2.404 -9.728 946 HD3 ARG 114 HD1 ARG 114 -9.732 -3.257 -8.270 947 HE ARG 114 HE ARG 114 -8.611 -4.817 -9.574 948 HH11 ARG 114 HH11 ARG 114 -10.344 -2.532 -11.582 949 HH12 ARG 114 HH12 ARG 114 -9.518 -2.998 -13.036 950 HH21 ARG 114 HH21 ARG 114 -7.489 -5.390 -11.467 951 HH22 ARG 114 HH22 ARG 114 -7.904 -4.622 -12.975 952 H SER 115 HN SER 115 -14.671 -3.130 -9.078 953 HA SER 115 HA SER 115 -16.858 -2.979 -8.734 954 HB2 SER 115 HB2 SER 115 -17.780 -1.328 -7.126 955 HB3 SER 115 HB1 SER 115 -16.440 -2.264 -6.480 956 HG SER 115 HG SER 115 -15.301 -0.164 -7.464 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 23.514 -2.414 -2.729 2 H2 ALA 1 HT2 ALA 1 22.299 -2.434 -3.901 3 H3 ALA 1 HT3 ALA 1 22.197 -3.457 -2.565 4 HA ALA 1 HA ALA 1 22.071 -0.505 -2.507 5 HB1 ALA 1 HB1 ALA 1 19.921 -2.556 -2.005 6 HB2 ALA 1 HB2 ALA 1 20.058 -1.539 -3.437 7 HB3 ALA 1 HB3 ALA 1 19.741 -0.810 -1.864 8 H MET 2 HN MET 2 22.894 0.261 -0.696 9 HA MET 2 HA MET 2 23.173 -1.436 1.649 10 HB2 MET 2 HB2 MET 2 24.013 1.436 1.190 11 HB3 MET 2 HB1 MET 2 24.417 0.473 2.602 12 HG2 MET 2 HG2 MET 2 25.275 -0.114 -0.222 13 HG3 MET 2 HG1 MET 2 26.275 0.623 1.027 14 HE1 MET 2 HE1 MET 2 26.726 -2.279 3.584 15 HE2 MET 2 HE2 MET 2 25.489 -1.024 3.628 16 HE3 MET 2 HE3 MET 2 27.141 -0.618 3.161 17 H GLY 3 HN GLY 3 21.530 1.500 0.645 18 HA2 GLY 3 HA2 GLY 3 19.517 2.378 1.301 19 HA3 GLY 3 HA1 GLY 3 19.271 0.941 2.274 20 H CYS 4 HN CYS 4 18.270 2.882 3.444 21 HA CYS 4 HA CYS 4 19.576 2.975 5.817 22 HB2 CYS 4 HB2 CYS 4 19.976 5.461 6.122 23 HB3 CYS 4 HB1 CYS 4 21.166 4.550 5.216 24 H LYS 5 HN LYS 5 16.916 2.746 4.509 25 HA LYS 5 HA LYS 5 15.581 3.655 6.877 26 HB2 LYS 5 HB2 LYS 5 15.399 5.442 5.019 27 HB3 LYS 5 HB1 LYS 5 14.207 4.325 4.418 28 HG2 LYS 5 HG2 LYS 5 13.080 5.982 5.696 29 HG3 LYS 5 HG1 LYS 5 13.014 4.448 6.561 30 HD2 LYS 5 HD2 LYS 5 13.553 5.969 8.230 31 HD3 LYS 5 HD1 LYS 5 15.122 5.305 7.783 32 HE2 LYS 5 HE2 LYS 5 13.983 7.903 6.760 33 HE3 LYS 5 HE1 LYS 5 15.141 7.763 8.077 34 HZ1 LYS 5 HZ1 LYS 5 15.569 7.103 5.217 35 HZ2 LYS 5 HZ2 LYS 5 16.656 6.662 6.441 36 HZ3 LYS 5 HZ3 LYS 5 16.341 8.296 6.134 37 H GLU 6 HN GLU 6 14.201 2.134 7.561 38 HA GLU 6 HA GLU 6 13.545 -0.120 5.994 39 HB2 GLU 6 HB2 GLU 6 11.983 0.951 8.350 40 HB3 GLU 6 HB1 GLU 6 11.995 -0.699 7.738 41 HG2 GLU 6 HG2 GLU 6 13.393 -0.910 9.519 42 HG3 GLU 6 HG1 GLU 6 14.542 -0.549 8.229 43 H ILE 7 HN ILE 7 12.196 -0.203 4.337 44 HA ILE 7 HA ILE 7 10.687 2.151 3.637 45 HB ILE 7 HB ILE 7 10.842 -0.499 2.223 46 HG12 ILE 7 HG12 ILE 7 12.973 0.426 2.174 47 HG13 ILE 7 HG11 ILE 7 12.264 0.826 0.625 48 HG21 ILE 7 HG21 ILE 7 9.849 2.135 1.229 49 HG22 ILE 7 HG22 ILE 7 8.834 0.744 1.620 50 HG23 ILE 7 HG23 ILE 7 9.991 0.655 0.290 51 HD11 ILE 7 HD11 ILE 7 13.441 2.719 1.534 52 HD12 ILE 7 HD12 ILE 7 12.465 2.622 3.003 53 HD13 ILE 7 HD13 ILE 7 11.704 3.027 1.471 54 H GLU 8 HN GLU 8 8.688 2.544 4.164 55 HA GLU 8 HA GLU 8 7.059 0.290 5.087 56 HB2 GLU 8 HB2 GLU 8 6.126 2.226 6.681 57 HB3 GLU 8 HB1 GLU 8 7.428 1.128 7.119 58 HG2 GLU 8 HG2 GLU 8 9.054 2.775 6.417 59 HG3 GLU 8 HG1 GLU 8 7.737 3.887 6.021 60 H ILE 9 HN ILE 9 4.819 0.499 5.022 61 HA ILE 9 HA ILE 9 3.898 2.221 2.817 62 HB ILE 9 HB ILE 9 2.795 -0.487 2.933 63 HG12 ILE 9 HG12 ILE 9 5.233 -0.833 3.406 64 HG13 ILE 9 HG11 ILE 9 4.580 -1.665 2.004 65 HG21 ILE 9 HG21 ILE 9 2.236 1.106 1.204 66 HG22 ILE 9 HG22 ILE 9 2.984 -0.361 0.564 67 HG23 ILE 9 HG23 ILE 9 3.933 1.112 0.721 68 HD11 ILE 9 HD11 ILE 9 5.455 -0.073 0.543 69 HD12 ILE 9 HD12 ILE 9 6.761 -0.568 1.623 70 HD13 ILE 9 HD13 ILE 9 5.941 0.975 1.867 71 H VAL 10 HN VAL 10 2.170 3.364 3.567 72 HA VAL 10 HA VAL 10 0.530 2.198 5.676 73 HB VAL 10 HB VAL 10 0.259 4.242 6.391 74 HG11 VAL 10 HG11 VAL 10 1.279 6.196 5.224 75 HG12 VAL 10 HG12 VAL 10 1.714 5.104 3.909 76 HG13 VAL 10 HG13 VAL 10 2.382 4.851 5.521 77 HG21 VAL 10 HG21 VAL 10 -0.985 4.751 3.720 78 HG22 VAL 10 HG22 VAL 10 -1.046 5.887 5.070 79 HG23 VAL 10 HG23 VAL 10 -1.787 4.286 5.226 80 H ILE 11 HN ILE 11 -1.385 1.329 5.420 81 HA ILE 11 HA ILE 11 -2.781 1.725 2.877 82 HB ILE 11 HB ILE 11 -3.086 -0.520 4.876 83 HG12 ILE 11 HG12 ILE 11 -1.065 -0.831 3.648 84 HG13 ILE 11 HG11 ILE 11 -2.272 -1.942 2.993 85 HG21 ILE 11 HG21 ILE 11 -4.480 -0.118 2.244 86 HG22 ILE 11 HG22 ILE 11 -5.209 0.057 3.839 87 HG23 ILE 11 HG23 ILE 11 -4.647 -1.527 3.297 88 HD11 ILE 11 HD11 ILE 11 -1.521 0.713 1.858 89 HD12 ILE 11 HD12 ILE 11 -2.713 -0.401 1.196 90 HD13 ILE 11 HD13 ILE 11 -1.009 -0.861 1.240 91 H LYS 12 HN LYS 12 -4.233 3.230 3.095 92 HA LYS 12 HA LYS 12 -5.663 3.542 5.657 93 HB2 LYS 12 HB2 LYS 12 -4.277 5.425 4.216 94 HB3 LYS 12 HB1 LYS 12 -5.921 5.659 3.620 95 HG2 LYS 12 HG2 LYS 12 -5.280 5.598 6.535 96 HG3 LYS 12 HG1 LYS 12 -5.192 7.078 5.584 97 HD2 LYS 12 HD2 LYS 12 -7.565 6.708 4.920 98 HD3 LYS 12 HD1 LYS 12 -7.617 5.348 6.041 99 HE2 LYS 12 HE2 LYS 12 -8.555 7.353 7.058 100 HE3 LYS 12 HE1 LYS 12 -7.088 6.847 7.894 101 HZ1 LYS 12 HZ1 LYS 12 -7.183 8.983 5.834 102 HZ2 LYS 12 HZ2 LYS 12 -5.857 8.559 6.792 103 HZ3 LYS 12 HZ3 LYS 12 -7.219 9.262 7.501 104 H ASN 13 HN ASN 13 -7.949 3.607 5.569 105 HA ASN 13 HA ASN 13 -9.154 3.585 2.892 106 HB2 ASN 13 HB2 ASN 13 -10.134 2.004 5.284 107 HB3 ASN 13 HB1 ASN 13 -10.997 2.175 3.757 108 HD21 ASN 13 HD21 ASN 13 -8.397 0.621 5.405 109 HD22 ASN 13 HD22 ASN 13 -7.971 -0.466 4.133 110 H THR 14 HN THR 14 -10.639 5.147 2.597 111 HA THR 14 HA THR 14 -11.829 6.498 4.812 112 HB THR 14 HB THR 14 -9.741 7.544 5.047 113 HG1 THR 14 HG1 THR 14 -11.066 9.384 3.339 114 HG21 THR 14 HG21 THR 14 -9.854 7.963 2.090 115 HG22 THR 14 HG22 THR 14 -8.886 6.746 2.945 116 HG23 THR 14 HG23 THR 14 -8.542 8.462 3.167 117 H LEU 15 HN LEU 15 -13.594 5.634 3.201 118 HA LEU 15 HA LEU 15 -14.110 7.728 1.327 119 HB2 LEU 15 HB2 LEU 15 -15.813 5.316 1.935 120 HB3 LEU 15 HB1 LEU 15 -16.129 6.504 0.729 121 HG LEU 15 HG LEU 15 -14.350 5.854 -0.588 122 HD11 LEU 15 HD11 LEU 15 -13.369 4.279 1.675 123 HD12 LEU 15 HD12 LEU 15 -12.678 5.678 0.831 124 HD13 LEU 15 HD13 LEU 15 -12.788 4.118 0.004 125 HD21 LEU 15 HD21 LEU 15 -14.792 3.476 -1.032 126 HD22 LEU 15 HD22 LEU 15 -16.272 4.407 -0.811 127 HD23 LEU 15 HD23 LEU 15 -15.668 3.391 0.497 128 H GLY 16 HN GLY 16 -15.249 6.294 4.274 129 HA2 GLY 16 HA2 GLY 16 -16.335 8.442 5.552 130 HA3 GLY 16 HA1 GLY 16 -17.653 7.780 4.581 131 HA PRO 17 HA PRO 17 -17.507 6.185 9.000 132 HB2 PRO 17 HB2 PRO 17 -20.200 5.346 7.992 133 HB3 PRO 17 HB1 PRO 17 -19.740 5.949 9.590 134 HG2 PRO 17 HG2 PRO 17 -20.900 7.556 7.810 135 HG3 PRO 17 HG1 PRO 17 -19.607 8.146 8.867 136 HD2 PRO 17 HD2 PRO 17 -19.550 7.562 5.967 137 HD3 PRO 17 HD1 PRO 17 -18.555 8.683 6.915 138 H SER 18 HN SER 18 -16.323 4.460 9.246 139 HA SER 18 HA SER 18 -15.533 2.352 9.208 140 HB2 SER 18 HB2 SER 18 -18.444 1.680 8.747 141 HB3 SER 18 HB1 SER 18 -17.202 0.547 9.284 142 HG SER 18 HG SER 18 -18.659 2.196 10.762 143 H ARG 19 HN ARG 19 -14.735 3.347 6.998 144 HA ARG 19 HA ARG 19 -15.491 1.573 4.818 145 HB2 ARG 19 HB2 ARG 19 -14.287 4.173 4.977 146 HB3 ARG 19 HB1 ARG 19 -13.218 3.100 4.095 147 HG2 ARG 19 HG2 ARG 19 -14.745 4.302 2.663 148 HG3 ARG 19 HG1 ARG 19 -14.971 2.559 2.551 149 HD2 ARG 19 HD2 ARG 19 -16.671 4.333 4.300 150 HD3 ARG 19 HD1 ARG 19 -17.081 3.973 2.627 151 HE ARG 19 HE ARG 19 -17.079 2.072 4.867 152 HH11 ARG 19 HH11 ARG 19 -17.837 2.810 1.527 153 HH12 ARG 19 HH12 ARG 19 -18.848 1.421 1.321 154 HH21 ARG 19 HH21 ARG 19 -18.398 0.235 4.586 155 HH22 ARG 19 HH22 ARG 19 -19.157 -0.048 3.051 156 H ILE 20 HN ILE 20 -14.562 -0.317 4.570 157 HA ILE 20 HA ILE 20 -11.924 -0.755 5.791 158 HB ILE 20 HB ILE 20 -13.935 -2.937 6.017 159 HG12 ILE 20 HG12 ILE 20 -14.422 -0.362 7.080 160 HG13 ILE 20 HG11 ILE 20 -15.351 -1.830 7.331 161 HG21 ILE 20 HG21 ILE 20 -11.582 -3.253 6.623 162 HG22 ILE 20 HG22 ILE 20 -12.671 -3.472 7.998 163 HG23 ILE 20 HG23 ILE 20 -11.751 -1.977 7.833 164 HD11 ILE 20 HD11 ILE 20 -14.836 -1.076 9.460 165 HD12 ILE 20 HD12 ILE 20 -13.189 -0.644 9.002 166 HD13 ILE 20 HD13 ILE 20 -13.647 -2.344 9.149 167 H LEU 21 HN LEU 21 -10.603 -1.489 4.287 168 HA LEU 21 HA LEU 21 -11.618 -3.542 2.450 169 HB2 LEU 21 HB2 LEU 21 -9.756 -1.249 1.857 170 HB3 LEU 21 HB1 LEU 21 -9.789 -2.693 0.836 171 HG LEU 21 HG LEU 21 -12.086 -0.785 1.339 172 HD11 LEU 21 HD11 LEU 21 -10.507 -1.389 -1.153 173 HD12 LEU 21 HD12 LEU 21 -10.358 0.064 -0.165 174 HD13 LEU 21 HD13 LEU 21 -11.864 -0.270 -1.020 175 HD21 LEU 21 HD21 LEU 21 -13.271 -2.140 -0.365 176 HD22 LEU 21 HD22 LEU 21 -12.973 -3.014 1.136 177 HD23 LEU 21 HD23 LEU 21 -11.969 -3.326 -0.281 178 H GLN 22 HN GLN 22 -10.432 -5.328 2.233 179 HA GLN 22 HA GLN 22 -8.363 -5.711 4.245 180 HB2 GLN 22 HB2 GLN 22 -10.238 -7.214 4.340 181 HB3 GLN 22 HB1 GLN 22 -10.104 -7.573 2.627 182 HG2 GLN 22 HG2 GLN 22 -7.918 -8.617 3.082 183 HG3 GLN 22 HG1 GLN 22 -8.206 -8.381 4.805 184 HE21 GLN 22 HE21 GLN 22 -9.751 -9.630 5.848 185 HE22 GLN 22 HE22 GLN 22 -10.449 -11.034 5.123 186 H TYR 23 HN TYR 23 -6.297 -5.542 3.591 187 HA TYR 23 HA TYR 23 -5.768 -5.832 0.736 188 HB2 TYR 23 HB2 TYR 23 -3.851 -4.438 1.003 189 HB3 TYR 23 HB1 TYR 23 -5.209 -3.668 1.808 190 HD1 TYR 23 HD1 TYR 23 -5.395 -3.970 4.335 191 HD2 TYR 23 HD2 TYR 23 -1.869 -4.807 2.144 192 HE1 TYR 23 HE1 TYR 23 -4.074 -3.783 6.409 193 HE2 TYR 23 HE2 TYR 23 -0.528 -4.632 4.194 194 HH TYR 23 HH TYR 23 -0.662 -3.606 6.392 195 H HIS 24 HN HIS 24 -4.758 -7.478 -0.034 196 HA HIS 24 HA HIS 24 -3.163 -9.214 1.720 197 HB2 HIS 24 HB2 HIS 24 -4.939 -10.279 0.376 198 HB3 HIS 24 HB1 HIS 24 -4.194 -9.673 -1.090 199 HD1 HIS 24 HD1 HIS 24 -1.602 -10.773 1.182 200 HD2 HIS 24 HD2 HIS 24 -4.113 -12.593 -1.597 201 HE1 HIS 24 HE1 HIS 24 -0.591 -13.026 0.718 202 HE2 HIS 24 HE2 HIS 24 -2.089 -14.090 -1.000 203 H CYS 25 HN CYS 25 -1.066 -8.532 1.780 204 HA CYS 25 HA CYS 25 -0.029 -7.364 -0.676 205 HB2 CYS 25 HB2 CYS 25 -0.254 -6.136 1.628 206 HB3 CYS 25 HB1 CYS 25 1.279 -6.928 1.969 207 H ARG 26 HN ARG 26 0.804 -9.289 -1.741 208 HA ARG 26 HA ARG 26 3.592 -9.203 -1.084 209 HB2 ARG 26 HB2 ARG 26 3.986 -11.617 -1.350 210 HB3 ARG 26 HB1 ARG 26 3.161 -11.151 0.134 211 HG2 ARG 26 HG2 ARG 26 1.125 -12.065 -0.606 212 HG3 ARG 26 HG1 ARG 26 1.672 -12.141 -2.284 213 HD2 ARG 26 HD2 ARG 26 1.702 -14.362 -1.375 214 HD3 ARG 26 HD1 ARG 26 3.364 -13.825 -1.601 215 HE ARG 26 HE ARG 26 2.070 -13.657 1.036 216 HH11 ARG 26 HH11 ARG 26 4.681 -14.814 -1.003 217 HH12 ARG 26 HH12 ARG 26 5.562 -15.517 0.314 218 HH21 ARG 26 HH21 ARG 26 3.239 -14.574 2.767 219 HH22 ARG 26 HH22 ARG 26 4.749 -15.369 2.458 220 H SER 27 HN SER 27 3.872 -8.084 -3.122 221 HA SER 27 HA SER 27 5.156 -9.641 -5.018 222 HB2 SER 27 HB2 SER 27 2.506 -8.588 -6.016 223 HB3 SER 27 HB1 SER 27 3.859 -8.951 -7.080 224 HG SER 27 HG SER 27 2.830 -10.861 -5.261 225 H GLY 28 HN GLY 28 6.853 -8.084 -4.825 226 HA2 GLY 28 HA2 GLY 28 7.356 -5.913 -6.153 227 HA3 GLY 28 HA1 GLY 28 6.111 -5.236 -5.124 228 H ASN 29 HN ASN 29 6.687 -4.970 -2.742 229 HA ASN 29 HA ASN 29 9.399 -5.722 -2.069 230 HB2 ASN 29 HB2 ASN 29 9.844 -3.701 -3.259 231 HB3 ASN 29 HB1 ASN 29 8.696 -2.814 -2.277 232 HD21 ASN 29 HD21 ASN 29 11.800 -4.416 -2.299 233 HD22 ASN 29 HD22 ASN 29 12.444 -3.608 -0.914 234 H THR 30 HN THR 30 6.233 -5.218 -0.748 235 HA THR 30 HA THR 30 7.506 -5.381 1.891 236 HB THR 30 HB THR 30 5.608 -3.596 2.532 237 HG1 THR 30 HG1 THR 30 6.722 -2.156 0.506 238 HG21 THR 30 HG21 THR 30 8.013 -3.652 3.199 239 HG22 THR 30 HG22 THR 30 7.408 -2.034 2.869 240 HG23 THR 30 HG23 THR 30 8.408 -2.864 1.677 241 H ASN 31 HN ASN 31 6.657 -7.039 2.885 242 HA ASN 31 HA ASN 31 4.222 -8.272 1.868 243 HB2 ASN 31 HB2 ASN 31 6.127 -9.699 2.027 244 HB3 ASN 31 HB1 ASN 31 6.445 -9.216 3.682 245 HD21 ASN 31 HD21 ASN 31 4.498 -11.176 1.592 246 HD22 ASN 31 HD22 ASN 31 3.805 -12.160 2.831 247 H VAL 32 HN VAL 32 2.452 -8.834 3.023 248 HA VAL 32 HA VAL 32 2.597 -8.344 5.928 249 HB VAL 32 HB VAL 32 0.525 -7.121 4.133 250 HG11 VAL 32 HG11 VAL 32 0.354 -7.522 7.123 251 HG12 VAL 32 HG12 VAL 32 -0.694 -8.263 5.915 252 HG13 VAL 32 HG13 VAL 32 -0.733 -6.518 6.162 253 HG21 VAL 32 HG21 VAL 32 1.836 -5.803 6.456 254 HG22 VAL 32 HG22 VAL 32 1.302 -5.119 4.921 255 HG23 VAL 32 HG23 VAL 32 2.800 -6.065 4.997 256 H GLY 33 HN GLY 33 0.290 -9.541 3.460 257 HA2 GLY 33 HA2 GLY 33 -0.374 -11.926 3.867 258 HA3 GLY 33 HA1 GLY 33 -0.694 -11.359 5.516 259 H VAL 34 HN VAL 34 -2.825 -11.046 5.768 260 HA VAL 34 HA VAL 34 -4.184 -9.501 3.706 261 HB VAL 34 HB VAL 34 -5.335 -12.116 4.680 262 HG11 VAL 34 HG11 VAL 34 -6.122 -10.241 2.450 263 HG12 VAL 34 HG12 VAL 34 -6.982 -10.470 3.972 264 HG13 VAL 34 HG13 VAL 34 -6.889 -11.790 2.805 265 HG21 VAL 34 HG21 VAL 34 -4.556 -11.971 1.876 266 HG22 VAL 34 HG22 VAL 34 -4.239 -13.234 3.071 267 HG23 VAL 34 HG23 VAL 34 -3.170 -11.811 2.972 268 H GLN 35 HN GLN 35 -4.535 -7.814 5.049 269 HA GLN 35 HA GLN 35 -6.047 -8.311 7.533 270 HB2 GLN 35 HB2 GLN 35 -3.663 -6.589 7.025 271 HB3 GLN 35 HB1 GLN 35 -4.861 -6.035 8.186 272 HG2 GLN 35 HG2 GLN 35 -4.608 -8.193 9.372 273 HG3 GLN 35 HG1 GLN 35 -3.274 -8.582 8.284 274 HE21 GLN 35 HE21 GLN 35 -4.368 -6.511 10.855 275 HE22 GLN 35 HE22 GLN 35 -2.808 -5.930 11.323 276 H TYR 36 HN TYR 36 -7.444 -6.576 8.211 277 HA TYR 36 HA TYR 36 -8.279 -4.881 5.981 278 HB2 TYR 36 HB2 TYR 36 -10.461 -4.675 7.021 279 HB3 TYR 36 HB1 TYR 36 -10.062 -6.343 6.653 280 HD1 TYR 36 HD1 TYR 36 -9.134 -7.752 8.543 281 HD2 TYR 36 HD2 TYR 36 -11.093 -4.068 9.084 282 HE1 TYR 36 HE1 TYR 36 -9.538 -8.359 10.889 283 HE2 TYR 36 HE2 TYR 36 -11.532 -4.621 11.456 284 HH TYR 36 HH TYR 36 -9.998 -7.199 13.042 285 H LEU 37 HN LEU 37 -9.087 -2.716 6.524 286 HA LEU 37 HA LEU 37 -8.065 -1.599 9.008 287 HB2 LEU 37 HB2 LEU 37 -6.210 -1.543 7.329 288 HB3 LEU 37 HB1 LEU 37 -7.222 -0.570 6.288 289 HG LEU 37 HG LEU 37 -5.388 0.583 7.684 290 HD11 LEU 37 HD11 LEU 37 -8.210 1.624 7.715 291 HD12 LEU 37 HD12 LEU 37 -7.035 1.808 6.411 292 HD13 LEU 37 HD13 LEU 37 -6.755 2.587 7.968 293 HD21 LEU 37 HD21 LEU 37 -7.514 0.312 9.804 294 HD22 LEU 37 HD22 LEU 37 -6.043 1.277 9.918 295 HD23 LEU 37 HD23 LEU 37 -5.940 -0.482 9.820 296 H ASN 38 HN ASN 38 -9.316 0.089 9.706 297 HA ASN 38 HA ASN 38 -11.743 0.536 8.145 298 HB2 ASN 38 HB2 ASN 38 -12.704 1.388 10.228 299 HB3 ASN 38 HB1 ASN 38 -12.040 -0.214 10.441 300 HD21 ASN 38 HD21 ASN 38 -10.104 -0.461 11.640 301 HD22 ASN 38 HD22 ASN 38 -9.564 0.774 12.722 302 H PHE 39 HN PHE 39 -12.768 2.678 8.380 303 HA PHE 39 HA PHE 39 -10.866 4.670 7.524 304 HB2 PHE 39 HB2 PHE 39 -12.856 4.664 6.230 305 HB3 PHE 39 HB1 PHE 39 -13.885 4.684 7.655 306 HD1 PHE 39 HD1 PHE 39 -10.969 6.783 6.683 307 HD2 PHE 39 HD2 PHE 39 -15.101 6.641 7.654 308 HE1 PHE 39 HE1 PHE 39 -11.100 9.226 6.441 309 HE2 PHE 39 HE2 PHE 39 -15.241 9.088 7.413 310 HZ PHE 39 HZ PHE 39 -13.189 10.402 7.101 311 H LYS 40 HN LYS 40 -9.673 5.077 9.274 312 HA LYS 40 HA LYS 40 -10.653 7.088 11.059 313 HB2 LYS 40 HB2 LYS 40 -11.388 5.024 12.218 314 HB3 LYS 40 HB1 LYS 40 -9.729 4.461 12.205 315 HG2 LYS 40 HG2 LYS 40 -9.077 6.357 13.613 316 HG3 LYS 40 HG1 LYS 40 -10.762 6.884 13.653 317 HD2 LYS 40 HD2 LYS 40 -11.396 4.758 14.695 318 HD3 LYS 40 HD1 LYS 40 -9.710 4.240 14.661 319 HE2 LYS 40 HE2 LYS 40 -10.787 6.630 16.150 320 HE3 LYS 40 HE1 LYS 40 -10.377 5.075 16.869 321 HZ1 LYS 40 HZ1 LYS 40 -8.475 6.890 15.491 322 HZ2 LYS 40 HZ2 LYS 40 -8.083 5.404 16.195 323 HZ3 LYS 40 HZ3 LYS 40 -8.608 6.686 17.164 324 H GLY 41 HN GLY 41 -8.112 4.657 10.581 325 HA2 GLY 41 HA2 GLY 41 -6.143 6.831 10.563 326 HA3 GLY 41 HA1 GLY 41 -5.896 5.460 11.631 327 H THR 42 HN THR 42 -3.930 5.079 10.537 328 HA THR 42 HA THR 42 -4.183 3.954 7.811 329 HB THR 42 HB THR 42 -1.600 4.270 7.928 330 HG1 THR 42 HG1 THR 42 -0.892 5.757 9.375 331 HG21 THR 42 HG21 THR 42 -1.843 6.523 7.018 332 HG22 THR 42 HG22 THR 42 -3.471 6.624 7.689 333 HG23 THR 42 HG23 THR 42 -3.112 5.451 6.417 334 H ARG 43 HN ARG 43 -2.584 2.212 7.386 335 HA ARG 43 HA ARG 43 -1.940 0.570 9.719 336 HB2 ARG 43 HB2 ARG 43 -3.958 -0.388 8.803 337 HB3 ARG 43 HB1 ARG 43 -3.277 -0.341 7.192 338 HG2 ARG 43 HG2 ARG 43 -3.269 -2.593 8.083 339 HG3 ARG 43 HG1 ARG 43 -1.625 -2.010 7.817 340 HD2 ARG 43 HD2 ARG 43 -1.450 -1.471 10.204 341 HD3 ARG 43 HD1 ARG 43 -3.080 -2.096 10.458 342 HE ARG 43 HE ARG 43 -1.933 -4.217 9.386 343 HH11 ARG 43 HH11 ARG 43 -0.670 -2.026 11.805 344 HH12 ARG 43 HH12 ARG 43 0.302 -3.236 12.579 345 HH21 ARG 43 HH21 ARG 43 -0.662 -5.820 10.398 346 HH22 ARG 43 HH22 ARG 43 0.305 -5.398 11.779 347 H ILE 44 HN ILE 44 0.247 0.416 9.693 348 HA ILE 44 HA ILE 44 1.459 0.964 7.088 349 HB ILE 44 HB ILE 44 2.659 1.598 9.785 350 HG12 ILE 44 HG12 ILE 44 2.281 3.977 8.720 351 HG13 ILE 44 HG11 ILE 44 1.028 3.143 7.817 352 HG21 ILE 44 HG21 ILE 44 4.227 1.135 7.850 353 HG22 ILE 44 HG22 ILE 44 4.370 2.741 8.572 354 HG23 ILE 44 HG23 ILE 44 3.500 2.533 7.051 355 HD11 ILE 44 HD11 ILE 44 1.213 3.333 10.816 356 HD12 ILE 44 HD12 ILE 44 -0.038 2.479 9.911 357 HD13 ILE 44 HD13 ILE 44 0.106 4.231 9.776 358 H ILE 45 HN ILE 45 2.646 -0.338 6.180 359 HA ILE 45 HA ILE 45 3.724 -2.730 7.331 360 HB ILE 45 HB ILE 45 4.048 -1.535 4.658 361 HG12 ILE 45 HG12 ILE 45 2.248 -3.689 5.580 362 HG13 ILE 45 HG11 ILE 45 1.777 -2.016 5.374 363 HG21 ILE 45 HG21 ILE 45 4.724 -4.224 5.752 364 HG22 ILE 45 HG22 ILE 45 5.766 -3.111 4.860 365 HG23 ILE 45 HG23 ILE 45 4.455 -3.954 4.035 366 HD11 ILE 45 HD11 ILE 45 2.405 -4.053 3.349 367 HD12 ILE 45 HD12 ILE 45 2.823 -2.370 3.014 368 HD13 ILE 45 HD13 ILE 45 1.143 -2.816 3.354 369 H LYS 46 HN LYS 46 6.085 -3.173 7.189 370 HA LYS 46 HA LYS 46 7.740 -1.104 6.156 371 HB2 LYS 46 HB2 LYS 46 9.067 -0.518 8.072 372 HB3 LYS 46 HB1 LYS 46 7.386 -0.185 8.422 373 HG2 LYS 46 HG2 LYS 46 7.222 -2.084 9.849 374 HG3 LYS 46 HG1 LYS 46 8.811 -2.662 9.346 375 HD2 LYS 46 HD2 LYS 46 9.280 -1.669 11.383 376 HD3 LYS 46 HD1 LYS 46 9.649 -0.375 10.248 377 HE2 LYS 46 HE2 LYS 46 7.079 -0.678 11.799 378 HE3 LYS 46 HE1 LYS 46 8.388 0.424 12.200 379 HZ1 LYS 46 HZ1 LYS 46 6.672 0.512 9.782 380 HZ2 LYS 46 HZ2 LYS 46 8.010 1.525 10.030 381 HZ3 LYS 46 HZ3 LYS 46 6.673 1.609 11.066 382 H PHE 47 HN PHE 47 9.614 -1.769 5.450 383 HA PHE 47 HA PHE 47 10.692 -4.362 6.348 384 HB2 PHE 47 HB2 PHE 47 9.842 -3.806 3.503 385 HB3 PHE 47 HB1 PHE 47 11.091 -4.988 3.865 386 HD1 PHE 47 HD1 PHE 47 7.630 -4.107 4.911 387 HD2 PHE 47 HD2 PHE 47 10.462 -7.187 4.117 388 HE1 PHE 47 HE1 PHE 47 5.892 -5.775 5.322 389 HE2 PHE 47 HE2 PHE 47 8.755 -8.875 4.608 390 HZ PHE 47 HZ PHE 47 6.477 -8.176 5.225 391 H LYS 48 HN LYS 48 12.811 -4.282 6.584 392 HA LYS 48 HA LYS 48 14.188 -1.910 5.557 393 HB2 LYS 48 HB2 LYS 48 15.846 -2.314 7.255 394 HB3 LYS 48 HB1 LYS 48 14.243 -2.351 7.977 395 HG2 LYS 48 HG2 LYS 48 14.278 -4.713 8.158 396 HG3 LYS 48 HG1 LYS 48 15.726 -4.832 7.159 397 HD2 LYS 48 HD2 LYS 48 15.546 -3.588 9.902 398 HD3 LYS 48 HD1 LYS 48 16.271 -5.148 9.512 399 HE2 LYS 48 HE2 LYS 48 17.218 -2.417 8.661 400 HE3 LYS 48 HE1 LYS 48 18.028 -3.541 9.746 401 HZ1 LYS 48 HZ1 LYS 48 17.584 -3.902 6.832 402 HZ2 LYS 48 HZ2 LYS 48 18.233 -5.084 7.850 403 HZ3 LYS 48 HZ3 LYS 48 19.062 -3.632 7.610 404 H ASP 49 HN ASP 49 13.582 -4.562 4.171 405 HA ASP 49 HA ASP 49 16.297 -5.505 3.609 406 HB2 ASP 49 HB2 ASP 49 13.586 -6.718 3.051 407 HB3 ASP 49 HB1 ASP 49 15.095 -7.403 2.458 408 H ASP 50 HN ASP 50 16.623 -3.466 2.406 409 HA ASP 50 HA ASP 50 15.053 -3.058 0.026 410 HB2 ASP 50 HB2 ASP 50 16.324 -1.038 -0.274 411 HB3 ASP 50 HB1 ASP 50 15.864 -1.166 1.418 412 H GLY 51 HN GLY 51 18.338 -4.109 0.791 413 HA2 GLY 51 HA2 GLY 51 18.987 -4.329 -2.035 414 HA3 GLY 51 HA1 GLY 51 20.069 -4.652 -0.690 415 H THR 52 HN THR 52 16.866 -6.003 -1.402 416 HA THR 52 HA THR 52 18.092 -8.621 -1.870 417 HB THR 52 HB THR 52 16.440 -9.702 -0.418 418 HG1 THR 52 HG1 THR 52 15.782 -7.030 0.078 419 HG21 THR 52 HG21 THR 52 18.726 -9.421 0.346 420 HG22 THR 52 HG22 THR 52 17.604 -9.246 1.694 421 HG23 THR 52 HG23 THR 52 18.337 -7.818 0.966 422 H GLU 53 HN GLU 53 17.076 -9.824 -3.358 423 HA GLU 53 HA GLU 53 15.042 -8.505 -4.916 424 HB2 GLU 53 HB2 GLU 53 16.445 -11.149 -5.318 425 HB3 GLU 53 HB1 GLU 53 15.398 -10.366 -6.488 426 HG2 GLU 53 HG2 GLU 53 16.946 -8.493 -6.633 427 HG3 GLU 53 HG1 GLU 53 17.991 -9.264 -5.441 428 H ARG 54 HN ARG 54 15.183 -11.056 -2.585 429 HA ARG 54 HA ARG 54 12.754 -12.345 -3.445 430 HB2 ARG 54 HB2 ARG 54 13.011 -13.762 -1.500 431 HB3 ARG 54 HB1 ARG 54 14.554 -13.610 -2.326 432 HG2 ARG 54 HG2 ARG 54 15.339 -12.051 -0.663 433 HG3 ARG 54 HG1 ARG 54 13.758 -12.048 0.122 434 HD2 ARG 54 HD2 ARG 54 15.585 -14.433 -0.156 435 HD3 ARG 54 HD1 ARG 54 15.363 -13.475 1.304 436 HE ARG 54 HE ARG 54 12.853 -14.385 0.492 437 HH11 ARG 54 HH11 ARG 54 15.866 -15.694 1.684 438 HH12 ARG 54 HH12 ARG 54 15.125 -17.075 2.428 439 HH21 ARG 54 HH21 ARG 54 11.863 -16.192 1.484 440 HH22 ARG 54 HH22 ARG 54 12.838 -17.351 2.328 441 H SER 55 HN SER 55 13.279 -9.487 -1.952 442 HA SER 55 HA SER 55 11.041 -9.706 -0.097 443 HB2 SER 55 HB2 SER 55 13.017 -7.444 -0.481 444 HB3 SER 55 HB1 SER 55 11.799 -7.549 0.789 445 HG SER 55 HG SER 55 14.262 -8.498 0.824 446 H ARG 56 HN ARG 56 9.792 -9.951 -2.180 447 HA ARG 56 HA ARG 56 9.035 -7.304 -3.166 448 HB2 ARG 56 HB2 ARG 56 8.419 -8.491 -5.274 449 HB3 ARG 56 HB1 ARG 56 10.133 -8.455 -4.917 450 HG2 ARG 56 HG2 ARG 56 10.065 -10.750 -4.193 451 HG3 ARG 56 HG1 ARG 56 8.311 -10.796 -4.405 452 HD2 ARG 56 HD2 ARG 56 10.330 -10.306 -6.592 453 HD3 ARG 56 HD1 ARG 56 9.503 -11.833 -6.291 454 HE ARG 56 HE ARG 56 7.443 -10.782 -6.931 455 HH11 ARG 56 HH11 ARG 56 10.318 -8.890 -7.617 456 HH12 ARG 56 HH12 ARG 56 9.540 -7.936 -8.839 457 HH21 ARG 56 HH21 ARG 56 6.431 -9.506 -8.535 458 HH22 ARG 56 HH22 ARG 56 7.343 -8.274 -9.347 459 H TRP 57 HN TRP 57 7.081 -6.656 -2.476 460 HA TRP 57 HA TRP 57 4.964 -8.635 -2.240 461 HB2 TRP 57 HB2 TRP 57 5.413 -6.735 -0.016 462 HB3 TRP 57 HB1 TRP 57 4.637 -8.318 -0.008 463 HD1 TRP 57 HD1 TRP 57 7.962 -6.680 0.558 464 HE1 TRP 57 HE1 TRP 57 9.727 -8.368 1.255 465 HE3 TRP 57 HE3 TRP 57 5.359 -10.945 -0.453 466 HZ2 TRP 57 HZ2 TRP 57 9.988 -11.203 1.348 467 HZ3 TRP 57 HZ3 TRP 57 6.438 -13.112 -0.036 468 HH2 TRP 57 HH2 TRP 57 8.708 -13.235 0.848 469 H ASN 58 HN ASN 58 2.757 -7.667 -2.051 470 HA ASN 58 HA ASN 58 2.400 -4.970 -3.201 471 HB2 ASN 58 HB2 ASN 58 2.893 -6.585 -5.074 472 HB3 ASN 58 HB1 ASN 58 1.465 -7.481 -4.589 473 HD21 ASN 58 HD21 ASN 58 2.696 -4.865 -6.349 474 HD22 ASN 58 HD22 ASN 58 1.189 -4.249 -6.937 475 H CYS 59 HN CYS 59 0.334 -4.169 -2.575 476 HA CYS 59 HA CYS 59 -1.174 -6.068 -0.922 477 HB2 CYS 59 HB2 CYS 59 -1.555 -3.092 -0.929 478 HB3 CYS 59 HB1 CYS 59 -2.008 -4.254 0.310 479 H LEU 60 HN LEU 60 -3.180 -6.712 -1.480 480 HA LEU 60 HA LEU 60 -4.440 -5.297 -3.723 481 HB2 LEU 60 HB2 LEU 60 -4.463 -8.248 -3.058 482 HB3 LEU 60 HB1 LEU 60 -5.562 -7.510 -4.206 483 HG LEU 60 HG LEU 60 -3.419 -6.726 -5.420 484 HD11 LEU 60 HD11 LEU 60 -2.297 -8.990 -3.791 485 HD12 LEU 60 HD12 LEU 60 -1.829 -7.295 -3.675 486 HD13 LEU 60 HD13 LEU 60 -1.499 -8.203 -5.151 487 HD21 LEU 60 HD21 LEU 60 -4.955 -8.332 -6.351 488 HD22 LEU 60 HD22 LEU 60 -4.256 -9.615 -5.365 489 HD23 LEU 60 HD23 LEU 60 -3.297 -8.860 -6.637 490 H PHE 61 HN PHE 61 -6.519 -4.672 -3.381 491 HA PHE 61 HA PHE 61 -7.315 -5.015 -0.587 492 HB2 PHE 61 HB2 PHE 61 -8.207 -2.998 -2.677 493 HB3 PHE 61 HB1 PHE 61 -8.931 -3.122 -1.091 494 HD1 PHE 61 HD1 PHE 61 -5.319 -3.594 -1.235 495 HD2 PHE 61 HD2 PHE 61 -8.465 -0.778 -0.900 496 HE1 PHE 61 HE1 PHE 61 -3.723 -1.928 -0.468 497 HE2 PHE 61 HE2 PHE 61 -6.896 0.922 -0.187 498 HZ PHE 61 HZ PHE 61 -4.495 0.365 0.068 499 H ARG 62 HN ARG 62 -9.065 -6.209 -0.082 500 HA ARG 62 HA ARG 62 -11.067 -6.774 -2.146 501 HB2 ARG 62 HB2 ARG 62 -10.980 -9.177 -1.672 502 HB3 ARG 62 HB1 ARG 62 -9.434 -8.601 -2.280 503 HG2 ARG 62 HG2 ARG 62 -8.572 -8.536 0.017 504 HG3 ARG 62 HG1 ARG 62 -10.114 -9.166 0.598 505 HD2 ARG 62 HD2 ARG 62 -8.222 -10.548 -1.298 506 HD3 ARG 62 HD1 ARG 62 -8.463 -10.943 0.402 507 HE ARG 62 HE ARG 62 -10.726 -11.116 -1.464 508 HH11 ARG 62 HH11 ARG 62 -8.454 -12.686 0.687 509 HH12 ARG 62 HH12 ARG 62 -9.306 -14.196 0.688 510 HH21 ARG 62 HH21 ARG 62 -11.843 -13.107 -1.465 511 HH22 ARG 62 HH22 ARG 62 -11.229 -14.436 -0.538 512 H GLN 63 HN GLN 63 -12.899 -8.094 -1.111 513 HA GLN 63 HA GLN 63 -13.161 -7.746 1.773 514 HB2 GLN 63 HB2 GLN 63 -14.143 -5.715 0.732 515 HB3 GLN 63 HB1 GLN 63 -15.220 -6.734 -0.207 516 HG2 GLN 63 HG2 GLN 63 -16.328 -5.715 1.717 517 HG3 GLN 63 HG1 GLN 63 -16.335 -7.473 1.790 518 HE21 GLN 63 HE21 GLN 63 -16.653 -7.504 3.985 519 HE22 GLN 63 HE22 GLN 63 -15.424 -7.066 5.118 520 H GLY 64 HN GLY 64 -12.756 -9.904 -0.184 521 HA2 GLY 64 HA2 GLY 64 -13.431 -12.095 -0.394 522 HA3 GLY 64 HA1 GLY 64 -14.706 -11.759 0.773 523 H ILE 65 HN ILE 65 -16.547 -12.322 -0.068 524 HA ILE 65 HA ILE 65 -18.164 -12.749 -1.571 525 HB ILE 65 HB ILE 65 -18.915 -10.777 -0.622 526 HG12 ILE 65 HG12 ILE 65 -20.189 -9.667 -2.477 527 HG13 ILE 65 HG11 ILE 65 -19.270 -10.645 -3.616 528 HG21 ILE 65 HG21 ILE 65 -16.881 -9.514 -0.908 529 HG22 ILE 65 HG22 ILE 65 -18.320 -8.573 -1.303 530 HG23 ILE 65 HG23 ILE 65 -17.300 -9.211 -2.587 531 HD11 ILE 65 HD11 ILE 65 -21.446 -11.617 -3.188 532 HD12 ILE 65 HD12 ILE 65 -21.094 -11.688 -1.462 533 HD13 ILE 65 HD13 ILE 65 -20.166 -12.674 -2.592 534 H ASN 66 HN ASN 66 -17.410 -10.181 -3.782 535 HA ASN 66 HA ASN 66 -16.820 -12.215 -5.821 536 HB2 ASN 66 HB2 ASN 66 -18.300 -9.594 -5.980 537 HB3 ASN 66 HB1 ASN 66 -17.680 -10.392 -7.416 538 HD21 ASN 66 HD21 ASN 66 -18.624 -12.294 -8.118 539 HD22 ASN 66 HD22 ASN 66 -20.162 -12.826 -7.534 540 H MET 67 HN MET 67 -16.084 -10.402 -7.853 541 HA MET 67 HA MET 67 -13.452 -9.542 -7.083 542 HB2 MET 67 HB2 MET 67 -15.039 -9.108 -9.623 543 HB3 MET 67 HB1 MET 67 -13.364 -8.620 -9.405 544 HG2 MET 67 HG2 MET 67 -12.702 -10.929 -9.099 545 HG3 MET 67 HG1 MET 67 -14.381 -11.447 -9.232 546 HE1 MET 67 HE1 MET 67 -13.714 -13.199 -11.112 547 HE2 MET 67 HE2 MET 67 -12.029 -12.697 -10.979 548 HE3 MET 67 HE3 MET 67 -12.802 -12.778 -12.562 549 H LYS 68 HN LYS 68 -16.390 -8.337 -6.447 550 HA LYS 68 HA LYS 68 -15.991 -5.539 -6.815 551 HB2 LYS 68 HB2 LYS 68 -17.824 -7.048 -4.939 552 HB3 LYS 68 HB1 LYS 68 -17.885 -5.315 -5.219 553 HG2 LYS 68 HG2 LYS 68 -18.456 -5.699 -7.557 554 HG3 LYS 68 HG1 LYS 68 -18.370 -7.444 -7.295 555 HD2 LYS 68 HD2 LYS 68 -20.200 -7.325 -5.708 556 HD3 LYS 68 HD1 LYS 68 -20.247 -5.568 -5.854 557 HE2 LYS 68 HE2 LYS 68 -20.835 -5.798 -8.226 558 HE3 LYS 68 HE1 LYS 68 -20.817 -7.552 -8.053 559 HZ1 LYS 68 HZ1 LYS 68 -23.060 -6.590 -7.927 560 HZ2 LYS 68 HZ2 LYS 68 -22.609 -5.730 -6.543 561 HZ3 LYS 68 HZ3 LYS 68 -22.638 -7.420 -6.517 562 H PHE 69 HN PHE 69 -15.744 -4.012 -5.031 563 HA PHE 69 HA PHE 69 -14.588 -3.107 -3.311 564 HB2 PHE 69 HB2 PHE 69 -14.973 -5.877 -2.165 565 HB3 PHE 69 HB1 PHE 69 -14.239 -4.553 -1.267 566 HD1 PHE 69 HD1 PHE 69 -15.589 -2.592 -0.638 567 HD2 PHE 69 HD2 PHE 69 -17.312 -5.995 -2.523 568 HE1 PHE 69 HE1 PHE 69 -17.827 -1.835 0.049 569 HE2 PHE 69 HE2 PHE 69 -19.551 -5.246 -1.841 570 HZ PHE 69 HZ PHE 69 -19.799 -3.170 -0.506 571 H PHE 70 HN PHE 70 -13.190 -4.618 -5.532 572 HA PHE 70 HA PHE 70 -10.735 -5.522 -4.194 573 HB2 PHE 70 HB2 PHE 70 -12.075 -6.927 -5.885 574 HB3 PHE 70 HB1 PHE 70 -11.352 -5.890 -7.104 575 HD1 PHE 70 HD1 PHE 70 -10.302 -7.725 -4.073 576 HD2 PHE 70 HD2 PHE 70 -9.432 -6.732 -8.107 577 HE1 PHE 70 HE1 PHE 70 -8.316 -9.064 -3.956 578 HE2 PHE 70 HE2 PHE 70 -7.418 -8.099 -8.009 579 HZ PHE 70 HZ PHE 70 -6.830 -9.292 -5.923 580 H THR 71 HN THR 71 -8.712 -4.942 -4.996 581 HA THR 71 HA THR 71 -8.205 -3.433 -7.274 582 HB THR 71 HB THR 71 -9.144 -1.634 -5.564 583 HG1 THR 71 HG1 THR 71 -8.556 -0.618 -7.310 584 HG21 THR 71 HG21 THR 71 -7.771 -1.457 -3.756 585 HG22 THR 71 HG22 THR 71 -6.787 -0.484 -4.873 586 HG23 THR 71 HG23 THR 71 -6.414 -2.195 -4.610 587 H GLU 72 HN GLU 72 -5.847 -2.535 -7.157 588 HA GLU 72 HA GLU 72 -4.267 -4.609 -5.827 589 HB2 GLU 72 HB2 GLU 72 -5.099 -5.249 -8.136 590 HB3 GLU 72 HB1 GLU 72 -4.068 -3.971 -8.748 591 HG2 GLU 72 HG2 GLU 72 -2.099 -5.076 -7.845 592 HG3 GLU 72 HG1 GLU 72 -3.116 -6.366 -7.209 593 H VAL 73 HN VAL 73 -2.761 -3.460 -4.693 594 HA VAL 73 HA VAL 73 -1.735 -1.006 -5.955 595 HB VAL 73 HB VAL 73 -1.794 -1.120 -3.007 596 HG11 VAL 73 HG11 VAL 73 -0.815 0.749 -4.150 597 HG12 VAL 73 HG12 VAL 73 -2.278 1.267 -3.308 598 HG13 VAL 73 HG13 VAL 73 -2.307 1.016 -5.051 599 HG21 VAL 73 HG21 VAL 73 -4.016 -1.897 -3.353 600 HG22 VAL 73 HG22 VAL 73 -4.279 -0.715 -4.647 601 HG23 VAL 73 HG23 VAL 73 -4.101 -0.172 -2.972 602 H GLU 74 HN GLU 74 0.402 -1.148 -6.286 603 HA GLU 74 HA GLU 74 2.068 -3.112 -5.159 604 HB2 GLU 74 HB2 GLU 74 2.848 -0.408 -6.289 605 HB3 GLU 74 HB1 GLU 74 3.905 -1.789 -6.077 606 HG2 GLU 74 HG2 GLU 74 2.470 -3.039 -7.688 607 HG3 GLU 74 HG1 GLU 74 1.611 -1.530 -7.992 608 H ALA 75 HN ALA 75 2.546 -3.265 -3.102 609 HA ALA 75 HA ALA 75 2.498 -1.394 -1.098 610 HB1 ALA 75 HB1 ALA 75 2.895 -3.581 -0.335 611 HB2 ALA 75 HB2 ALA 75 4.449 -2.759 -0.102 612 HB3 ALA 75 HB3 ALA 75 4.222 -3.848 -1.475 613 H TYR 76 HN TYR 76 5.444 -2.568 -2.737 614 HA TYR 76 HA TYR 76 6.116 0.204 -3.270 615 HB2 TYR 76 HB2 TYR 76 6.930 -0.086 -1.008 616 HB3 TYR 76 HB1 TYR 76 7.826 -1.519 -1.481 617 HD1 TYR 76 HD1 TYR 76 9.996 -1.338 -2.434 618 HD2 TYR 76 HD2 TYR 76 7.631 2.161 -1.972 619 HE1 TYR 76 HE1 TYR 76 11.943 0.043 -2.953 620 HE2 TYR 76 HE2 TYR 76 9.570 3.549 -2.492 621 HH TYR 76 HH TYR 76 12.056 3.362 -2.364 622 H ARG 77 HN ARG 77 7.391 0.452 -5.025 623 HA ARG 77 HA ARG 77 8.048 -1.953 -6.525 624 HB2 ARG 77 HB2 ARG 77 6.920 0.095 -7.551 625 HB3 ARG 77 HB1 ARG 77 8.462 0.919 -7.379 626 HG2 ARG 77 HG2 ARG 77 8.298 0.128 -9.617 627 HG3 ARG 77 HG1 ARG 77 9.492 -0.869 -8.781 628 HD2 ARG 77 HD2 ARG 77 7.775 -2.593 -8.425 629 HD3 ARG 77 HD1 ARG 77 6.610 -1.600 -9.299 630 HE ARG 77 HE ARG 77 9.060 -2.377 -10.691 631 HH11 ARG 77 HH11 ARG 77 5.611 -2.803 -10.218 632 HH12 ARG 77 HH12 ARG 77 5.393 -3.668 -11.713 633 HH21 ARG 77 HH21 ARG 77 8.770 -3.516 -12.648 634 HH22 ARG 77 HH22 ARG 77 7.190 -4.077 -13.091 635 HA PRO 78 HA PRO 78 11.970 -1.659 -4.483 636 HB2 PRO 78 HB2 PRO 78 13.120 -3.867 -5.543 637 HB3 PRO 78 HB1 PRO 78 11.860 -3.947 -4.303 638 HG2 PRO 78 HG2 PRO 78 11.622 -4.282 -7.271 639 HG3 PRO 78 HG1 PRO 78 10.881 -5.240 -5.974 640 HD2 PRO 78 HD2 PRO 78 9.531 -3.317 -7.322 641 HD3 PRO 78 HD1 PRO 78 9.206 -3.696 -5.618 642 H ASP 79 HN ASP 79 13.581 -0.332 -4.979 643 HA ASP 79 HA ASP 79 14.685 -0.347 -7.692 644 HB2 ASP 79 HB2 ASP 79 15.507 1.444 -5.417 645 HB3 ASP 79 HB1 ASP 79 15.864 1.652 -7.115 646 H LEU 80 HN LEU 80 15.982 -2.133 -7.833 647 HA LEU 80 HA LEU 80 17.374 -3.068 -5.516 648 HB2 LEU 80 HB2 LEU 80 16.348 -4.584 -7.185 649 HB3 LEU 80 HB1 LEU 80 17.555 -4.057 -8.330 650 HG LEU 80 HG LEU 80 19.308 -4.946 -6.759 651 HD11 LEU 80 HD11 LEU 80 16.892 -6.169 -5.439 652 HD12 LEU 80 HD12 LEU 80 18.000 -4.999 -4.723 653 HD13 LEU 80 HD13 LEU 80 18.566 -6.621 -5.122 654 HD21 LEU 80 HD21 LEU 80 17.299 -6.874 -7.908 655 HD22 LEU 80 HD22 LEU 80 18.951 -7.277 -7.442 656 HD23 LEU 80 HD23 LEU 80 18.658 -6.143 -8.761 657 H LYS 81 HN LYS 81 18.017 -1.014 -8.027 658 HA LYS 81 HA LYS 81 20.911 -1.233 -7.823 659 HB2 LYS 81 HB2 LYS 81 20.958 0.467 -9.605 660 HB3 LYS 81 HB1 LYS 81 20.000 -0.936 -10.049 661 HG2 LYS 81 HG2 LYS 81 17.963 0.356 -9.405 662 HG3 LYS 81 HG1 LYS 81 18.997 1.767 -9.193 663 HD2 LYS 81 HD2 LYS 81 18.854 0.209 -11.767 664 HD3 LYS 81 HD1 LYS 81 17.795 1.572 -11.416 665 HE2 LYS 81 HE2 LYS 81 19.550 2.472 -12.685 666 HE3 LYS 81 HE1 LYS 81 19.915 2.921 -11.023 667 HZ1 LYS 81 HZ1 LYS 81 21.109 0.568 -12.377 668 HZ2 LYS 81 HZ2 LYS 81 21.579 1.253 -10.903 669 HZ3 LYS 81 HZ3 LYS 81 21.835 2.092 -12.343 670 H HIS 82 HN HIS 82 18.326 0.636 -6.564 671 HA HIS 82 HA HIS 82 20.152 2.759 -5.680 672 HB2 HIS 82 HB2 HIS 82 17.131 2.655 -5.733 673 HB3 HIS 82 HB1 HIS 82 18.064 3.981 -5.054 674 HD1 HIS 82 HD1 HIS 82 16.410 2.993 -8.065 675 HD2 HIS 82 HD2 HIS 82 19.835 5.178 -7.158 676 HE1 HIS 82 HE1 HIS 82 16.921 4.344 -10.127 677 HE2 HIS 82 HE2 HIS 82 19.046 5.589 -9.589 678 HA PRO 83 HA PRO 83 19.844 1.133 -1.507 679 HB2 PRO 83 HB2 PRO 83 20.781 3.334 -0.211 680 HB3 PRO 83 HB1 PRO 83 21.842 2.195 -1.046 681 HG2 PRO 83 HG2 PRO 83 20.822 4.852 -1.958 682 HG3 PRO 83 HG1 PRO 83 22.439 4.150 -2.142 683 HD2 PRO 83 HD2 PRO 83 20.600 4.181 -4.142 684 HD3 PRO 83 HD1 PRO 83 21.827 2.910 -3.977 685 H LEU 84 HN LEU 84 17.873 1.022 -0.530 686 HA LEU 84 HA LEU 84 16.063 3.251 -0.942 687 HB2 LEU 84 HB2 LEU 84 15.476 0.625 0.412 688 HB3 LEU 84 HB1 LEU 84 14.304 1.804 -0.134 689 HG LEU 84 HG LEU 84 16.109 0.175 -1.921 690 HD11 LEU 84 HD11 LEU 84 13.144 0.024 -1.401 691 HD12 LEU 84 HD12 LEU 84 14.352 -1.173 -0.938 692 HD13 LEU 84 HD13 LEU 84 14.009 -0.880 -2.643 693 HD21 LEU 84 HD21 LEU 84 14.011 2.241 -2.540 694 HD22 LEU 84 HD22 LEU 84 14.688 1.130 -3.725 695 HD23 LEU 84 HD23 LEU 84 15.730 2.308 -2.929 696 H CYS 85 HN CYS 85 15.353 4.628 0.469 697 HA CYS 85 HA CYS 85 15.575 4.513 3.215 698 HB2 CYS 85 HB2 CYS 85 17.855 4.291 3.230 699 HB3 CYS 85 HB1 CYS 85 18.027 5.196 1.719 700 H GLY 86 HN GLY 86 15.464 6.172 0.360 701 HA2 GLY 86 HA2 GLY 86 14.529 8.657 1.609 702 HA3 GLY 86 HA1 GLY 86 15.038 8.494 -0.062 703 H LYS 87 HN LYS 87 12.931 6.047 1.207 704 HA LYS 87 HA LYS 87 10.698 7.307 -0.230 705 HB2 LYS 87 HB2 LYS 87 11.687 4.478 -0.497 706 HB3 LYS 87 HB1 LYS 87 10.042 4.924 -0.912 707 HG2 LYS 87 HG2 LYS 87 11.094 5.026 -2.952 708 HG3 LYS 87 HG1 LYS 87 11.175 6.706 -2.423 709 HD2 LYS 87 HD2 LYS 87 13.464 6.387 -1.681 710 HD3 LYS 87 HD1 LYS 87 13.386 4.676 -2.106 711 HE2 LYS 87 HE2 LYS 87 13.162 7.005 -4.010 712 HE3 LYS 87 HE1 LYS 87 14.555 5.940 -3.828 713 HZ1 LYS 87 HZ1 LYS 87 13.219 4.090 -4.609 714 HZ2 LYS 87 HZ2 LYS 87 13.183 5.347 -5.739 715 HZ3 LYS 87 HZ3 LYS 87 11.856 5.085 -4.731 716 H ARG 88 HN ARG 88 8.713 7.082 0.591 717 HA ARG 88 HA ARG 88 8.115 5.030 2.548 718 HB2 ARG 88 HB2 ARG 88 8.885 7.238 3.709 719 HB3 ARG 88 HB1 ARG 88 7.327 7.862 3.186 720 HG2 ARG 88 HG2 ARG 88 6.193 6.089 4.419 721 HG3 ARG 88 HG1 ARG 88 7.756 5.453 4.933 722 HD2 ARG 88 HD2 ARG 88 6.442 8.041 5.694 723 HD3 ARG 88 HD1 ARG 88 6.999 6.740 6.745 724 HE ARG 88 HE ARG 88 8.783 8.569 5.268 725 HH11 ARG 88 HH11 ARG 88 8.162 6.453 8.000 726 HH12 ARG 88 HH12 ARG 88 9.579 6.966 8.861 727 HH21 ARG 88 HH21 ARG 88 10.647 9.210 6.382 728 HH22 ARG 88 HH22 ARG 88 10.983 8.545 7.953 729 H TYR 89 HN TYR 89 6.223 4.152 1.909 730 HA TYR 89 HA TYR 89 4.713 5.682 -0.087 731 HB2 TYR 89 HB2 TYR 89 5.347 2.795 0.215 732 HB3 TYR 89 HB1 TYR 89 3.815 3.222 -0.537 733 HD1 TYR 89 HD1 TYR 89 4.296 2.432 -2.729 734 HD2 TYR 89 HD2 TYR 89 6.922 5.209 -0.857 735 HE1 TYR 89 HE1 TYR 89 5.431 2.802 -4.879 736 HE2 TYR 89 HE2 TYR 89 8.062 5.585 -3.002 737 HH TYR 89 HH TYR 89 6.795 4.482 -5.978 738 H GLU 90 HN GLU 90 2.503 5.623 -0.169 739 HA GLU 90 HA GLU 90 0.987 4.599 2.077 740 HB2 GLU 90 HB2 GLU 90 1.322 6.680 3.031 741 HB3 GLU 90 HB1 GLU 90 1.453 7.488 1.488 742 HG2 GLU 90 HG2 GLU 90 -0.993 7.206 1.186 743 HG3 GLU 90 HG1 GLU 90 -1.064 6.520 2.810 744 H LEU 91 HN LEU 91 -0.646 3.551 1.156 745 HA LEU 91 HA LEU 91 -1.933 4.862 -1.132 746 HB2 LEU 91 HB2 LEU 91 -2.495 1.972 -0.754 747 HB3 LEU 91 HB1 LEU 91 -2.386 2.918 -2.198 748 HG LEU 91 HG LEU 91 -0.666 1.269 -2.281 749 HD11 LEU 91 HD11 LEU 91 0.515 3.971 -1.710 750 HD12 LEU 91 HD12 LEU 91 -0.086 3.386 -3.262 751 HD13 LEU 91 HD13 LEU 91 1.338 2.645 -2.530 752 HD21 LEU 91 HD21 LEU 91 0.344 2.347 0.336 753 HD22 LEU 91 HD22 LEU 91 1.137 1.125 -0.657 754 HD23 LEU 91 HD23 LEU 91 -0.429 0.784 0.076 755 H SER 92 HN SER 92 -4.162 4.933 -1.102 756 HA SER 92 HA SER 92 -5.443 4.083 1.371 757 HB2 SER 92 HB2 SER 92 -5.427 6.914 0.377 758 HB3 SER 92 HB1 SER 92 -6.288 6.328 1.800 759 HG SER 92 HG SER 92 -3.628 5.688 1.812 760 H ALA 93 HN ALA 93 -7.391 3.429 1.129 761 HA ALA 93 HA ALA 93 -8.690 3.704 -1.438 762 HB1 ALA 93 HB1 ALA 93 -9.878 1.917 -0.890 763 HB2 ALA 93 HB2 ALA 93 -10.077 2.426 0.795 764 HB3 ALA 93 HB3 ALA 93 -8.564 1.678 0.271 765 H ARG 94 HN ARG 94 -9.418 5.643 -1.649 766 HA ARG 94 HA ARG 94 -10.959 6.832 0.612 767 HB2 ARG 94 HB2 ARG 94 -10.099 8.949 0.127 768 HB3 ARG 94 HB1 ARG 94 -8.718 7.931 -0.232 769 HG2 ARG 94 HG2 ARG 94 -9.062 8.080 -2.552 770 HG3 ARG 94 HG1 ARG 94 -10.641 8.828 -2.335 771 HD2 ARG 94 HD2 ARG 94 -9.584 10.808 -1.384 772 HD3 ARG 94 HD1 ARG 94 -7.998 10.058 -1.558 773 HE ARG 94 HE ARG 94 -9.044 9.995 -4.073 774 HH11 ARG 94 HH11 ARG 94 -8.396 12.537 -1.751 775 HH12 ARG 94 HH12 ARG 94 -8.256 13.768 -2.964 776 HH21 ARG 94 HH21 ARG 94 -8.891 11.607 -5.658 777 HH22 ARG 94 HH22 ARG 94 -8.533 13.243 -5.183 778 H MET 95 HN MET 95 -12.592 8.028 0.283 779 HA MET 95 HA MET 95 -14.710 7.514 -0.984 780 HB2 MET 95 HB2 MET 95 -13.952 10.342 -1.524 781 HB3 MET 95 HB1 MET 95 -15.378 9.705 -0.720 782 HG2 MET 95 HG2 MET 95 -14.183 9.380 1.314 783 HG3 MET 95 HG1 MET 95 -12.628 9.726 0.554 784 HE1 MET 95 HE1 MET 95 -11.963 12.139 -0.336 785 HE2 MET 95 HE2 MET 95 -12.969 13.576 -0.160 786 HE3 MET 95 HE3 MET 95 -13.451 12.295 -1.271 787 H ASP 96 HN ASP 96 -12.186 9.353 -2.654 788 HA ASP 96 HA ASP 96 -13.430 9.219 -5.232 789 HB2 ASP 96 HB2 ASP 96 -12.218 11.191 -4.745 790 HB3 ASP 96 HB1 ASP 96 -10.804 10.283 -4.225 791 H ALA 97 HN ALA 97 -10.288 7.902 -3.993 792 HA ALA 97 HA ALA 97 -10.539 5.566 -5.661 793 HB1 ALA 97 HB1 ALA 97 -8.675 7.775 -6.497 794 HB2 ALA 97 HB2 ALA 97 -9.826 6.873 -7.484 795 HB3 ALA 97 HB3 ALA 97 -8.332 6.082 -6.917 796 H ILE 98 HN ILE 98 -8.226 4.552 -5.813 797 HA ILE 98 HA ILE 98 -7.036 4.498 -3.161 798 HB ILE 98 HB ILE 98 -6.532 2.873 -5.676 799 HG12 ILE 98 HG12 ILE 98 -8.659 2.620 -4.198 800 HG13 ILE 98 HG11 ILE 98 -7.761 1.160 -4.602 801 HG21 ILE 98 HG21 ILE 98 -4.456 3.231 -4.259 802 HG22 ILE 98 HG22 ILE 98 -4.957 1.543 -4.366 803 HG23 ILE 98 HG23 ILE 98 -5.295 2.469 -2.901 804 HD11 ILE 98 HD11 ILE 98 -8.514 1.373 -2.251 805 HD12 ILE 98 HD12 ILE 98 -7.384 2.736 -2.089 806 HD13 ILE 98 HD13 ILE 98 -6.783 1.106 -2.459 807 H TYR 99 HN TYR 99 -5.542 6.008 -2.768 808 HA TYR 99 HA TYR 99 -4.153 7.067 -5.107 809 HB2 TYR 99 HB2 TYR 99 -3.734 9.095 -3.899 810 HB3 TYR 99 HB1 TYR 99 -5.438 8.737 -3.897 811 HD1 TYR 99 HD1 TYR 99 -6.629 8.805 -1.928 812 HD2 TYR 99 HD2 TYR 99 -2.389 8.590 -1.761 813 HE1 TYR 99 HE1 TYR 99 -6.707 9.308 0.476 814 HE2 TYR 99 HE2 TYR 99 -2.452 9.074 0.649 815 HH TYR 99 HH TYR 99 -3.909 10.105 2.278 816 H PHE 100 HN PHE 100 -2.038 7.191 -5.301 817 HA PHE 100 HA PHE 100 -0.510 5.467 -3.479 818 HB2 PHE 100 HB2 PHE 100 0.034 6.367 -6.321 819 HB3 PHE 100 HB1 PHE 100 1.148 5.406 -5.366 820 HD1 PHE 100 HD1 PHE 100 1.262 3.452 -6.703 821 HD2 PHE 100 HD2 PHE 100 -2.515 5.005 -5.510 822 HE1 PHE 100 HE1 PHE 100 0.172 1.391 -7.477 823 HE2 PHE 100 HE2 PHE 100 -3.612 2.946 -6.286 824 HZ PHE 100 HZ PHE 100 -2.187 1.174 -7.472 825 H LYS 101 HN LYS 101 1.065 6.366 -2.245 826 HA LYS 101 HA LYS 101 1.966 9.048 -3.012 827 HB2 LYS 101 HB2 LYS 101 1.038 9.042 -0.817 828 HB3 LYS 101 HB1 LYS 101 2.067 7.710 -0.317 829 HG2 LYS 101 HG2 LYS 101 4.033 9.147 -0.621 830 HG3 LYS 101 HG1 LYS 101 2.975 10.477 -1.095 831 HD2 LYS 101 HD2 LYS 101 1.875 10.327 1.121 832 HD3 LYS 101 HD1 LYS 101 3.049 9.093 1.583 833 HE2 LYS 101 HE2 LYS 101 3.736 11.901 0.724 834 HE3 LYS 101 HE1 LYS 101 3.640 11.355 2.397 835 HZ1 LYS 101 HZ1 LYS 101 5.502 10.270 0.354 836 HZ2 LYS 101 HZ2 LYS 101 5.439 9.817 1.981 837 HZ3 LYS 101 HZ3 LYS 101 5.918 11.382 1.554 838 H MET 102 HN MET 102 3.696 9.105 -4.013 839 HA MET 102 HA MET 102 5.895 7.254 -3.404 840 HB2 MET 102 HB2 MET 102 5.171 7.387 -5.786 841 HB3 MET 102 HB1 MET 102 5.503 9.112 -5.770 842 HG2 MET 102 HG2 MET 102 7.849 8.679 -5.376 843 HG3 MET 102 HG1 MET 102 7.541 6.945 -5.335 844 HE1 MET 102 HE1 MET 102 9.434 7.178 -8.697 845 HE2 MET 102 HE2 MET 102 9.246 6.301 -7.180 846 HE3 MET 102 HE3 MET 102 9.785 7.979 -7.167 847 H ASP 103 HN ASP 103 7.580 8.110 -2.250 848 HA ASP 103 HA ASP 103 7.160 10.615 -1.049 849 HB2 ASP 103 HB2 ASP 103 8.640 8.527 -0.325 850 HB3 ASP 103 HB1 ASP 103 9.888 9.573 -0.991 851 H GLU 104 HN GLU 104 8.918 12.266 -0.905 852 HA GLU 104 HA GLU 104 9.753 14.118 -1.895 853 HB2 GLU 104 HB2 GLU 104 11.397 12.467 -2.824 854 HB3 GLU 104 HB1 GLU 104 10.404 12.412 -4.265 855 HG2 GLU 104 HG2 GLU 104 10.781 14.779 -4.644 856 HG3 GLU 104 HG1 GLU 104 11.746 14.867 -3.172 857 H ARG 105 HN ARG 105 7.194 12.390 -3.024 858 HA ARG 105 HA ARG 105 6.210 14.684 -4.608 859 HB2 ARG 105 HB2 ARG 105 5.742 11.743 -5.119 860 HB3 ARG 105 HB1 ARG 105 4.860 13.032 -5.918 861 HG2 ARG 105 HG2 ARG 105 6.939 13.828 -6.924 862 HG3 ARG 105 HG1 ARG 105 7.817 12.521 -6.118 863 HD2 ARG 105 HD2 ARG 105 6.568 10.864 -7.316 864 HD3 ARG 105 HD1 ARG 105 5.506 12.090 -8.003 865 HE ARG 105 HE ARG 105 8.210 12.575 -8.717 866 HH11 ARG 105 HH11 ARG 105 5.465 10.531 -9.431 867 HH12 ARG 105 HH12 ARG 105 5.969 10.190 -11.054 868 HH21 ARG 105 HH21 ARG 105 8.874 12.142 -10.873 869 HH22 ARG 105 HH22 ARG 105 7.910 11.102 -11.871 870 HA PRO 106 HA PRO 106 2.541 14.343 -2.004 871 HB2 PRO 106 HB2 PRO 106 0.913 15.302 -4.228 872 HB3 PRO 106 HB1 PRO 106 1.317 16.122 -2.719 873 HG2 PRO 106 HG2 PRO 106 2.284 16.918 -5.122 874 HG3 PRO 106 HG1 PRO 106 3.184 17.119 -3.607 875 HD2 PRO 106 HD2 PRO 106 3.497 15.032 -5.734 876 HD3 PRO 106 HD1 PRO 106 4.745 15.919 -4.832 877 HA PRO 107 HA PRO 107 0.553 10.567 -3.261 878 HB2 PRO 107 HB2 PRO 107 -1.827 10.792 -1.958 879 HB3 PRO 107 HB1 PRO 107 -0.312 10.397 -1.143 880 HG2 PRO 107 HG2 PRO 107 -1.727 13.021 -1.345 881 HG3 PRO 107 HG1 PRO 107 -0.922 12.287 0.053 882 HD2 PRO 107 HD2 PRO 107 0.236 14.224 -1.439 883 HD3 PRO 107 HD1 PRO 107 1.173 12.940 -0.648 884 H GLN 108 HN GLN 108 -0.579 9.916 -5.003 885 HA GLN 108 HA GLN 108 -2.612 11.740 -6.094 886 HB2 GLN 108 HB2 GLN 108 -1.830 11.102 -8.379 887 HB3 GLN 108 HB1 GLN 108 -0.699 12.095 -7.467 888 HG2 GLN 108 HG2 GLN 108 0.598 10.082 -6.914 889 HG3 GLN 108 HG1 GLN 108 -0.524 9.114 -7.868 890 HE21 GLN 108 HE21 GLN 108 -0.822 11.170 -9.913 891 HE22 GLN 108 HE22 GLN 108 0.640 11.157 -10.831 892 HA PRO 109 HA PRO 109 -5.344 8.167 -6.178 893 HB2 PRO 109 HB2 PRO 109 -6.436 9.897 -8.343 894 HB3 PRO 109 HB1 PRO 109 -7.294 9.076 -7.033 895 HG2 PRO 109 HG2 PRO 109 -6.870 11.672 -6.884 896 HG3 PRO 109 HG1 PRO 109 -6.623 10.658 -5.449 897 HD2 PRO 109 HD2 PRO 109 -4.601 11.857 -7.293 898 HD3 PRO 109 HD1 PRO 109 -4.544 11.659 -5.529 899 H LEU 110 HN LEU 110 -4.332 6.436 -7.156 900 HA LEU 110 HA LEU 110 -3.793 6.693 -10.034 901 HB2 LEU 110 HB2 LEU 110 -1.995 6.234 -7.920 902 HB3 LEU 110 HB1 LEU 110 -2.126 4.734 -8.812 903 HG LEU 110 HG LEU 110 -1.394 7.407 -10.020 904 HD11 LEU 110 HD11 LEU 110 0.857 6.470 -10.223 905 HD12 LEU 110 HD12 LEU 110 0.335 5.032 -9.344 906 HD13 LEU 110 HD13 LEU 110 0.354 6.600 -8.537 907 HD21 LEU 110 HD21 LEU 110 -0.773 6.070 -11.988 908 HD22 LEU 110 HD22 LEU 110 -2.494 5.958 -11.624 909 HD23 LEU 110 HD23 LEU 110 -1.415 4.631 -11.199 910 H ASN 111 HN ASN 111 -5.567 5.035 -7.761 911 HA ASN 111 HA ASN 111 -6.267 3.022 -9.708 912 HB2 ASN 111 HB2 ASN 111 -4.307 2.113 -8.118 913 HB3 ASN 111 HB1 ASN 111 -5.657 1.848 -7.001 914 HD21 ASN 111 HD21 ASN 111 -3.954 -0.092 -8.347 915 HD22 ASN 111 HD22 ASN 111 -5.011 -1.098 -9.272 916 H LYS 112 HN LYS 112 -8.148 1.698 -8.594 917 HA LYS 112 HA LYS 112 -9.370 3.298 -6.537 918 HB2 LYS 112 HB2 LYS 112 -11.488 3.352 -7.760 919 HB3 LYS 112 HB1 LYS 112 -10.215 4.244 -8.549 920 HG2 LYS 112 HG2 LYS 112 -9.924 2.500 -10.176 921 HG3 LYS 112 HG1 LYS 112 -11.085 1.477 -9.324 922 HD2 LYS 112 HD2 LYS 112 -12.847 3.121 -9.765 923 HD3 LYS 112 HD1 LYS 112 -11.685 4.131 -10.627 924 HE2 LYS 112 HE2 LYS 112 -11.335 2.327 -12.246 925 HE3 LYS 112 HE1 LYS 112 -12.513 1.333 -11.387 926 HZ1 LYS 112 HZ1 LYS 112 -13.456 2.456 -13.331 927 HZ2 LYS 112 HZ2 LYS 112 -13.102 3.958 -12.640 928 HZ3 LYS 112 HZ3 LYS 112 -14.220 2.929 -11.898 929 H TRP 113 HN TRP 113 -10.583 2.219 -5.216 930 HA TRP 113 HA TRP 113 -10.701 -0.608 -5.212 931 HB2 TRP 113 HB2 TRP 113 -12.373 -0.199 -3.369 932 HB3 TRP 113 HB1 TRP 113 -10.737 0.461 -3.081 933 HD1 TRP 113 HD1 TRP 113 -10.508 3.063 -2.867 934 HE1 TRP 113 HE1 TRP 113 -12.165 5.030 -2.846 935 HE3 TRP 113 HE3 TRP 113 -14.751 0.593 -4.321 936 HZ2 TRP 113 HZ2 TRP 113 -14.889 5.479 -3.367 937 HZ3 TRP 113 HZ3 TRP 113 -16.839 1.874 -4.532 938 HH2 TRP 113 HH2 TRP 113 -16.904 4.264 -4.064 939 H ARG 114 HN ARG 114 -13.043 -1.458 -4.687 940 HA ARG 114 HA ARG 114 -14.820 -0.584 -6.855 941 HB2 ARG 114 HB2 ARG 114 -13.893 -3.308 -6.095 942 HB3 ARG 114 HB1 ARG 114 -15.253 -3.049 -7.183 943 HG2 ARG 114 HG2 ARG 114 -13.764 -1.922 -8.760 944 HG3 ARG 114 HG1 ARG 114 -12.408 -2.162 -7.653 945 HD2 ARG 114 HD2 ARG 114 -12.881 -4.631 -7.802 946 HD3 ARG 114 HD1 ARG 114 -13.993 -4.256 -9.114 947 HE ARG 114 HE ARG 114 -11.574 -3.066 -9.750 948 HH11 ARG 114 HH11 ARG 114 -12.830 -6.290 -9.241 949 HH12 ARG 114 HH12 ARG 114 -11.686 -7.041 -10.312 950 HH21 ARG 114 HH21 ARG 114 -10.051 -4.053 -11.145 951 HH22 ARG 114 HH22 ARG 114 -10.083 -5.774 -11.368 952 H SER 115 HN SER 115 -16.954 -1.803 -6.605 953 HA SER 115 HA SER 115 -17.895 -3.074 -4.399 954 HB2 SER 115 HB2 SER 115 -19.018 -1.346 -3.058 955 HB3 SER 115 HB1 SER 115 -17.279 -1.109 -3.052 956 HG SER 115 HG SER 115 -18.734 0.213 -5.022 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 17.425 -3.289 -1.378 2 H2 ALA 1 HT2 ALA 1 15.753 -3.038 -1.313 3 H3 ALA 1 HT3 ALA 1 16.494 -4.109 -0.229 4 HA ALA 1 HA ALA 1 17.166 -1.238 -0.334 5 HB1 ALA 1 HB1 ALA 1 15.140 -2.565 1.467 6 HB2 ALA 1 HB2 ALA 1 14.770 -1.455 0.143 7 HB3 ALA 1 HB3 ALA 1 15.666 -0.884 1.552 8 H MET 2 HN MET 2 19.322 -2.300 -0.129 9 HA MET 2 HA MET 2 19.929 -3.830 2.209 10 HB2 MET 2 HB2 MET 2 21.208 -4.112 0.146 11 HB3 MET 2 HB1 MET 2 21.752 -2.443 0.236 12 HG2 MET 2 HG2 MET 2 22.905 -2.970 2.354 13 HG3 MET 2 HG1 MET 2 22.426 -4.655 2.161 14 HE1 MET 2 HE1 MET 2 26.248 -4.807 1.390 15 HE2 MET 2 HE2 MET 2 24.928 -5.435 2.375 16 HE3 MET 2 HE3 MET 2 25.459 -3.767 2.574 17 H GLY 3 HN GLY 3 21.461 -0.763 1.222 18 HA2 GLY 3 HA2 GLY 3 21.890 -0.096 4.022 19 HA3 GLY 3 HA1 GLY 3 22.486 0.800 2.631 20 H CYS 4 HN CYS 4 19.300 -0.169 3.812 21 HA CYS 4 HA CYS 4 18.385 2.585 3.307 22 HB2 CYS 4 HB2 CYS 4 17.184 -0.063 2.573 23 HB3 CYS 4 HB1 CYS 4 16.162 1.349 2.762 24 H LYS 5 HN LYS 5 16.411 3.155 4.456 25 HA LYS 5 HA LYS 5 16.287 2.385 7.167 26 HB2 LYS 5 HB2 LYS 5 15.629 4.589 6.282 27 HB3 LYS 5 HB1 LYS 5 14.286 3.781 5.538 28 HG2 LYS 5 HG2 LYS 5 13.552 4.898 7.533 29 HG3 LYS 5 HG1 LYS 5 13.402 3.150 7.711 30 HD2 LYS 5 HD2 LYS 5 15.511 3.104 8.958 31 HD3 LYS 5 HD1 LYS 5 15.644 4.855 8.788 32 HE2 LYS 5 HE2 LYS 5 13.504 3.327 10.262 33 HE3 LYS 5 HE1 LYS 5 14.766 4.331 10.970 34 HZ1 LYS 5 HZ1 LYS 5 13.778 6.251 9.821 35 HZ2 LYS 5 HZ2 LYS 5 12.713 5.535 10.920 36 HZ3 LYS 5 HZ3 LYS 5 12.523 5.260 9.265 37 H GLU 6 HN GLU 6 14.752 1.092 8.246 38 HA GLU 6 HA GLU 6 13.337 -0.938 7.042 39 HB2 GLU 6 HB2 GLU 6 12.427 0.642 9.453 40 HB3 GLU 6 HB1 GLU 6 11.992 -1.013 9.041 41 HG2 GLU 6 HG2 GLU 6 13.596 -1.388 10.604 42 HG3 GLU 6 HG1 GLU 6 14.558 -1.397 9.124 43 H ILE 7 HN ILE 7 12.060 -0.682 5.384 44 HA ILE 7 HA ILE 7 10.736 1.821 4.878 45 HB ILE 7 HB ILE 7 10.764 -0.742 3.318 46 HG12 ILE 7 HG12 ILE 7 12.880 0.240 3.194 47 HG13 ILE 7 HG11 ILE 7 12.082 0.609 1.691 48 HG21 ILE 7 HG21 ILE 7 9.309 1.768 2.937 49 HG22 ILE 7 HG22 ILE 7 8.894 0.095 2.456 50 HG23 ILE 7 HG23 ILE 7 10.077 1.018 1.525 51 HD11 ILE 7 HD11 ILE 7 11.614 2.802 2.405 52 HD12 ILE 7 HD12 ILE 7 13.338 2.483 2.614 53 HD13 ILE 7 HD13 ILE 7 12.260 2.463 4.010 54 H GLU 8 HN GLU 8 8.459 2.157 4.646 55 HA GLU 8 HA GLU 8 6.889 0.245 6.244 56 HB2 GLU 8 HB2 GLU 8 7.186 3.201 6.751 57 HB3 GLU 8 HB1 GLU 8 5.905 2.227 7.449 58 HG2 GLU 8 HG2 GLU 8 7.589 0.830 8.556 59 HG3 GLU 8 HG1 GLU 8 8.857 1.856 7.885 60 H ILE 9 HN ILE 9 5.173 -0.299 5.173 61 HA ILE 9 HA ILE 9 4.095 1.356 3.024 62 HB ILE 9 HB ILE 9 2.741 -1.157 3.669 63 HG12 ILE 9 HG12 ILE 9 5.607 -1.130 3.701 64 HG13 ILE 9 HG11 ILE 9 4.469 -2.433 4.016 65 HG21 ILE 9 HG21 ILE 9 2.232 -0.077 1.632 66 HG22 ILE 9 HG22 ILE 9 3.061 -1.604 1.293 67 HG23 ILE 9 HG23 ILE 9 3.930 -0.076 1.156 68 HD11 ILE 9 HD11 ILE 9 5.633 -1.646 1.384 69 HD12 ILE 9 HD12 ILE 9 4.316 -2.798 1.585 70 HD13 ILE 9 HD13 ILE 9 5.900 -3.138 2.285 71 H VAL 10 HN VAL 10 2.283 2.557 3.279 72 HA VAL 10 HA VAL 10 0.628 1.874 5.618 73 HB VAL 10 HB VAL 10 1.136 3.952 6.289 74 HG11 VAL 10 HG11 VAL 10 2.765 4.439 4.593 75 HG12 VAL 10 HG12 VAL 10 1.728 5.847 4.820 76 HG13 VAL 10 HG13 VAL 10 1.500 4.802 3.424 77 HG21 VAL 10 HG21 VAL 10 -1.235 4.093 6.007 78 HG22 VAL 10 HG22 VAL 10 -1.070 4.488 4.295 79 HG23 VAL 10 HG23 VAL 10 -0.547 5.644 5.519 80 H ILE 11 HN ILE 11 -1.277 1.163 5.273 81 HA ILE 11 HA ILE 11 -2.571 1.720 2.705 82 HB ILE 11 HB ILE 11 -3.073 -0.559 4.619 83 HG12 ILE 11 HG12 ILE 11 -0.998 -0.876 3.457 84 HG13 ILE 11 HG11 ILE 11 -2.208 -1.973 2.787 85 HG21 ILE 11 HG21 ILE 11 -4.558 -1.453 2.854 86 HG22 ILE 11 HG22 ILE 11 -4.352 0.063 1.969 87 HG23 ILE 11 HG23 ILE 11 -5.131 0.064 3.553 88 HD11 ILE 11 HD11 ILE 11 -0.902 -0.946 1.043 89 HD12 ILE 11 HD12 ILE 11 -1.367 0.652 1.639 90 HD13 ILE 11 HD13 ILE 11 -2.586 -0.426 0.969 91 H LYS 12 HN LYS 12 -3.979 3.234 2.883 92 HA LYS 12 HA LYS 12 -5.386 3.656 5.438 93 HB2 LYS 12 HB2 LYS 12 -3.997 5.440 3.910 94 HB3 LYS 12 HB1 LYS 12 -5.632 5.623 3.233 95 HG2 LYS 12 HG2 LYS 12 -6.495 6.068 5.481 96 HG3 LYS 12 HG1 LYS 12 -4.843 5.980 6.093 97 HD2 LYS 12 HD2 LYS 12 -4.175 7.879 4.833 98 HD3 LYS 12 HD1 LYS 12 -5.668 7.862 3.896 99 HE2 LYS 12 HE2 LYS 12 -5.695 9.645 5.551 100 HE3 LYS 12 HE1 LYS 12 -6.936 8.443 5.898 101 HZ1 LYS 12 HZ1 LYS 12 -5.764 9.133 7.893 102 HZ2 LYS 12 HZ2 LYS 12 -4.294 8.617 7.235 103 HZ3 LYS 12 HZ3 LYS 12 -5.508 7.489 7.583 104 H ASN 13 HN ASN 13 -7.700 4.057 5.271 105 HA ASN 13 HA ASN 13 -8.915 3.795 2.649 106 HB2 ASN 13 HB2 ASN 13 -8.949 1.499 3.659 107 HB3 ASN 13 HB1 ASN 13 -9.909 2.145 4.988 108 HD21 ASN 13 HD21 ASN 13 -10.404 0.156 2.817 109 HD22 ASN 13 HD22 ASN 13 -11.899 0.642 2.106 110 H THR 14 HN THR 14 -10.636 5.106 2.438 111 HA THR 14 HA THR 14 -11.946 6.304 4.597 112 HB THR 14 HB THR 14 -10.054 7.526 5.141 113 HG1 THR 14 HG1 THR 14 -10.544 9.658 4.521 114 HG21 THR 14 HG21 THR 14 -9.665 7.944 2.205 115 HG22 THR 14 HG22 THR 14 -8.756 6.824 3.242 116 HG23 THR 14 HG23 THR 14 -8.615 8.569 3.483 117 H LEU 15 HN LEU 15 -13.641 5.636 3.074 118 HA LEU 15 HA LEU 15 -14.113 7.664 1.111 119 HB2 LEU 15 HB2 LEU 15 -15.708 5.207 1.859 120 HB3 LEU 15 HB1 LEU 15 -16.276 6.408 0.743 121 HG LEU 15 HG LEU 15 -14.437 5.976 -0.708 122 HD11 LEU 15 HD11 LEU 15 -12.996 4.070 -0.309 123 HD12 LEU 15 HD12 LEU 15 -13.576 4.127 1.367 124 HD13 LEU 15 HD13 LEU 15 -12.779 5.538 0.647 125 HD21 LEU 15 HD21 LEU 15 -16.500 4.671 -0.998 126 HD22 LEU 15 HD22 LEU 15 -15.825 3.430 0.055 127 HD23 LEU 15 HD23 LEU 15 -15.070 3.772 -1.499 128 H GLY 16 HN GLY 16 -15.682 6.107 3.834 129 HA2 GLY 16 HA2 GLY 16 -16.360 8.516 5.189 130 HA3 GLY 16 HA1 GLY 16 -17.769 7.717 4.488 131 HA PRO 17 HA PRO 17 -16.788 6.193 8.801 132 HB2 PRO 17 HB2 PRO 17 -19.444 5.589 9.375 133 HB3 PRO 17 HB1 PRO 17 -18.628 7.099 9.783 134 HG2 PRO 17 HG2 PRO 17 -20.424 6.477 7.483 135 HG3 PRO 17 HG1 PRO 17 -20.307 7.959 8.450 136 HD2 PRO 17 HD2 PRO 17 -19.240 7.800 5.994 137 HD3 PRO 17 HD1 PRO 17 -18.448 8.718 7.292 138 H SER 18 HN SER 18 -16.354 4.167 9.370 139 HA SER 18 HA SER 18 -16.172 1.907 9.363 140 HB2 SER 18 HB2 SER 18 -18.891 1.885 8.030 141 HB3 SER 18 HB1 SER 18 -18.119 0.550 8.887 142 HG SER 18 HG SER 18 -18.279 2.824 10.394 143 H ARG 19 HN ARG 19 -15.105 3.431 7.152 144 HA ARG 19 HA ARG 19 -15.359 1.589 4.943 145 HB2 ARG 19 HB2 ARG 19 -13.915 4.085 5.367 146 HB3 ARG 19 HB1 ARG 19 -13.238 3.028 4.201 147 HG2 ARG 19 HG2 ARG 19 -15.937 4.324 4.194 148 HG3 ARG 19 HG1 ARG 19 -14.622 4.512 3.032 149 HD2 ARG 19 HD2 ARG 19 -16.039 3.101 1.898 150 HD3 ARG 19 HD1 ARG 19 -14.936 1.963 2.663 151 HE ARG 19 HE ARG 19 -16.819 1.899 4.452 152 HH11 ARG 19 HH11 ARG 19 -17.317 2.266 1.008 153 HH12 ARG 19 HH12 ARG 19 -18.833 1.430 1.012 154 HH21 ARG 19 HH21 ARG 19 -18.823 0.784 4.448 155 HH22 ARG 19 HH22 ARG 19 -19.685 0.594 2.954 156 H ILE 20 HN ILE 20 -13.997 0.207 4.315 157 HA ILE 20 HA ILE 20 -11.640 -0.529 5.828 158 HB ILE 20 HB ILE 20 -13.531 -2.786 5.548 159 HG12 ILE 20 HG12 ILE 20 -14.758 -0.780 6.613 160 HG13 ILE 20 HG11 ILE 20 -14.928 -2.370 7.318 161 HG21 ILE 20 HG21 ILE 20 -12.459 -3.554 7.544 162 HG22 ILE 20 HG22 ILE 20 -11.697 -1.985 7.752 163 HG23 ILE 20 HG23 ILE 20 -11.230 -3.012 6.391 164 HD11 ILE 20 HD11 ILE 20 -14.603 -0.547 8.948 165 HD12 ILE 20 HD12 ILE 20 -13.008 -0.271 8.239 166 HD13 ILE 20 HD13 ILE 20 -13.366 -1.808 9.016 167 H LEU 21 HN LEU 21 -10.262 -1.736 4.570 168 HA LEU 21 HA LEU 21 -11.374 -3.475 2.565 169 HB2 LEU 21 HB2 LEU 21 -9.992 -1.019 1.811 170 HB3 LEU 21 HB1 LEU 21 -9.235 -2.462 1.128 171 HG LEU 21 HG LEU 21 -12.173 -1.806 0.854 172 HD11 LEU 21 HD11 LEU 21 -10.577 -0.204 -0.305 173 HD12 LEU 21 HD12 LEU 21 -11.778 -1.009 -1.312 174 HD13 LEU 21 HD13 LEU 21 -10.112 -1.577 -1.310 175 HD21 LEU 21 HD21 LEU 21 -10.383 -3.955 -0.225 176 HD22 LEU 21 HD22 LEU 21 -11.884 -3.515 -1.027 177 HD23 LEU 21 HD23 LEU 21 -11.918 -4.119 0.629 178 H GLN 22 HN GLN 22 -10.266 -5.317 2.400 179 HA GLN 22 HA GLN 22 -8.074 -5.603 4.268 180 HB2 GLN 22 HB2 GLN 22 -9.999 -7.089 4.481 181 HB3 GLN 22 HB1 GLN 22 -9.797 -7.615 2.817 182 HG2 GLN 22 HG2 GLN 22 -7.682 -8.597 3.361 183 HG3 GLN 22 HG1 GLN 22 -7.814 -8.049 5.030 184 HE21 GLN 22 HE21 GLN 22 -10.709 -8.602 5.063 185 HE22 GLN 22 HE22 GLN 22 -10.856 -10.317 5.215 186 H TYR 23 HN TYR 23 -6.156 -5.220 3.424 187 HA TYR 23 HA TYR 23 -5.680 -5.797 0.607 188 HB2 TYR 23 HB2 TYR 23 -3.747 -4.346 0.785 189 HB3 TYR 23 HB1 TYR 23 -5.150 -3.529 1.463 190 HD1 TYR 23 HD1 TYR 23 -5.402 -3.358 3.908 191 HD2 TYR 23 HD2 TYR 23 -1.869 -4.865 2.128 192 HE1 TYR 23 HE1 TYR 23 -4.203 -3.013 6.027 193 HE2 TYR 23 HE2 TYR 23 -0.641 -4.534 4.235 194 HH TYR 23 HH TYR 23 -0.780 -3.259 6.265 195 H HIS 24 HN HIS 24 -4.426 -7.434 -0.030 196 HA HIS 24 HA HIS 24 -2.754 -8.731 2.012 197 HB2 HIS 24 HB2 HIS 24 -4.385 -10.220 0.959 198 HB3 HIS 24 HB1 HIS 24 -3.730 -9.836 -0.630 199 HD1 HIS 24 HD1 HIS 24 -1.093 -10.169 1.856 200 HD2 HIS 24 HD2 HIS 24 -3.233 -12.739 -0.620 201 HE1 HIS 24 HE1 HIS 24 0.223 -12.316 1.799 202 HE2 HIS 24 HE2 HIS 24 -1.234 -13.920 0.519 203 H CYS 25 HN CYS 25 -0.947 -7.517 1.922 204 HA CYS 25 HA CYS 25 0.323 -7.065 -0.611 205 HB2 CYS 25 HB2 CYS 25 0.177 -5.618 1.701 206 HB3 CYS 25 HB1 CYS 25 1.782 -6.301 1.808 207 H ARG 26 HN ARG 26 1.443 -8.533 -1.559 208 HA ARG 26 HA ARG 26 3.597 -9.896 -0.151 209 HB2 ARG 26 HB2 ARG 26 2.955 -12.112 -1.117 210 HB3 ARG 26 HB1 ARG 26 1.840 -11.529 0.112 211 HG2 ARG 26 HG2 ARG 26 0.179 -11.046 -1.446 212 HG3 ARG 26 HG1 ARG 26 1.312 -11.049 -2.796 213 HD2 ARG 26 HD2 ARG 26 1.597 -13.468 -2.546 214 HD3 ARG 26 HD1 ARG 26 0.461 -13.461 -1.196 215 HE ARG 26 HE ARG 26 -1.000 -12.362 -3.161 216 HH11 ARG 26 HH11 ARG 26 0.975 -15.252 -3.091 217 HH12 ARG 26 HH12 ARG 26 0.005 -16.096 -4.256 218 HH21 ARG 26 HH21 ARG 26 -2.278 -13.478 -4.703 219 HH22 ARG 26 HH22 ARG 26 -1.848 -15.095 -5.160 220 H SER 27 HN SER 27 5.239 -9.124 -1.405 221 HA SER 27 HA SER 27 5.733 -10.334 -3.891 222 HB2 SER 27 HB2 SER 27 4.844 -7.471 -4.039 223 HB3 SER 27 HB1 SER 27 6.043 -8.093 -5.170 224 HG SER 27 HG SER 27 3.525 -9.327 -4.730 225 H GLY 28 HN GLY 28 7.842 -9.422 -4.856 226 HA2 GLY 28 HA2 GLY 28 9.816 -8.084 -4.369 227 HA3 GLY 28 HA1 GLY 28 9.391 -8.215 -2.643 228 H ASN 29 HN ASN 29 9.500 -10.318 -1.671 229 HA ASN 29 HA ASN 29 10.521 -12.609 -2.963 230 HB2 ASN 29 HB2 ASN 29 12.571 -11.047 -2.948 231 HB3 ASN 29 HB1 ASN 29 12.602 -11.306 -1.208 232 HD21 ASN 29 HD21 ASN 29 11.677 -13.726 -3.581 233 HD22 ASN 29 HD22 ASN 29 13.029 -14.767 -3.309 234 H THR 30 HN THR 30 8.579 -11.617 -0.980 235 HA THR 30 HA THR 30 8.950 -13.591 1.075 236 HB THR 30 HB THR 30 8.775 -10.690 1.944 237 HG1 THR 30 HG1 THR 30 10.979 -12.327 1.399 238 HG21 THR 30 HG21 THR 30 9.092 -11.437 4.116 239 HG22 THR 30 HG22 THR 30 9.520 -13.078 3.591 240 HG23 THR 30 HG23 THR 30 7.856 -12.508 3.432 241 H ASN 31 HN ASN 31 6.990 -14.028 2.196 242 HA ASN 31 HA ASN 31 4.633 -12.443 1.452 243 HB2 ASN 31 HB2 ASN 31 4.527 -14.306 -0.067 244 HB3 ASN 31 HB1 ASN 31 4.915 -15.448 1.214 245 HD21 ASN 31 HD21 ASN 31 3.329 -16.045 2.676 246 HD22 ASN 31 HD22 ASN 31 1.649 -15.736 2.403 247 H VAL 32 HN VAL 32 3.242 -12.120 3.149 248 HA VAL 32 HA VAL 32 3.989 -13.487 5.643 249 HB VAL 32 HB VAL 32 3.289 -10.580 5.277 250 HG11 VAL 32 HG11 VAL 32 3.861 -12.066 7.837 251 HG12 VAL 32 HG12 VAL 32 2.285 -11.458 7.338 252 HG13 VAL 32 HG13 VAL 32 3.598 -10.330 7.675 253 HG21 VAL 32 HG21 VAL 32 5.806 -11.965 6.197 254 HG22 VAL 32 HG22 VAL 32 5.551 -10.220 6.178 255 HG23 VAL 32 HG23 VAL 32 5.573 -11.126 4.664 256 H GLY 33 HN GLY 33 1.217 -11.464 4.405 257 HA2 GLY 33 HA2 GLY 33 -0.749 -13.256 5.173 258 HA3 GLY 33 HA1 GLY 33 -0.392 -12.248 6.568 259 H VAL 34 HN VAL 34 -2.658 -11.658 6.278 260 HA VAL 34 HA VAL 34 -3.056 -9.600 4.203 261 HB VAL 34 HB VAL 34 -5.102 -11.693 4.942 262 HG11 VAL 34 HG11 VAL 34 -6.151 -10.939 2.819 263 HG12 VAL 34 HG12 VAL 34 -4.950 -9.649 2.738 264 HG13 VAL 34 HG13 VAL 34 -6.099 -9.699 4.073 265 HG21 VAL 34 HG21 VAL 34 -4.221 -13.134 3.479 266 HG22 VAL 34 HG22 VAL 34 -2.748 -12.142 3.570 267 HG23 VAL 34 HG23 VAL 34 -3.937 -11.867 2.284 268 H GLN 35 HN GLN 35 -4.496 -7.875 4.919 269 HA GLN 35 HA GLN 35 -5.591 -7.987 7.579 270 HB2 GLN 35 HB2 GLN 35 -3.363 -7.572 8.153 271 HB3 GLN 35 HB1 GLN 35 -3.124 -6.486 6.793 272 HG2 GLN 35 HG2 GLN 35 -4.247 -4.772 7.806 273 HG3 GLN 35 HG1 GLN 35 -5.047 -5.849 8.936 274 HE21 GLN 35 HE21 GLN 35 -1.983 -4.377 8.088 275 HE22 GLN 35 HE22 GLN 35 -1.257 -4.527 9.656 276 H TYR 36 HN TYR 36 -7.041 -6.258 8.029 277 HA TYR 36 HA TYR 36 -7.670 -4.540 5.744 278 HB2 TYR 36 HB2 TYR 36 -9.955 -4.336 6.719 279 HB3 TYR 36 HB1 TYR 36 -9.537 -5.897 6.039 280 HD1 TYR 36 HD1 TYR 36 -8.527 -7.551 7.733 281 HD2 TYR 36 HD2 TYR 36 -10.979 -4.281 8.764 282 HE1 TYR 36 HE1 TYR 36 -9.167 -8.713 9.817 283 HE2 TYR 36 HE2 TYR 36 -11.637 -5.382 10.849 284 HH TYR 36 HH TYR 36 -11.757 -7.690 11.762 285 H LEU 37 HN LEU 37 -8.760 -2.445 6.337 286 HA LEU 37 HA LEU 37 -7.703 -1.274 8.794 287 HB2 LEU 37 HB2 LEU 37 -5.946 -1.020 7.083 288 HB3 LEU 37 HB1 LEU 37 -7.092 -0.244 6.017 289 HG LEU 37 HG LEU 37 -5.381 1.211 7.296 290 HD11 LEU 37 HD11 LEU 37 -7.203 2.119 5.976 291 HD12 LEU 37 HD12 LEU 37 -6.949 3.058 7.448 292 HD13 LEU 37 HD13 LEU 37 -8.300 1.929 7.345 293 HD21 LEU 37 HD21 LEU 37 -6.068 1.963 9.489 294 HD22 LEU 37 HD22 LEU 37 -5.799 0.222 9.509 295 HD23 LEU 37 HD23 LEU 37 -7.440 0.858 9.466 296 H ASN 38 HN ASN 38 -9.047 0.242 9.628 297 HA ASN 38 HA ASN 38 -11.445 0.875 8.091 298 HB2 ASN 38 HB2 ASN 38 -12.363 1.679 10.252 299 HB3 ASN 38 HB1 ASN 38 -11.932 -0.014 10.251 300 HD21 ASN 38 HD21 ASN 38 -10.118 -0.687 11.450 301 HD22 ASN 38 HD22 ASN 38 -9.433 0.306 12.689 302 H PHE 39 HN PHE 39 -12.348 2.935 8.163 303 HA PHE 39 HA PHE 39 -10.442 4.943 7.513 304 HB2 PHE 39 HB2 PHE 39 -12.403 4.890 6.177 305 HB3 PHE 39 HB1 PHE 39 -13.430 4.936 7.600 306 HD1 PHE 39 HD1 PHE 39 -10.488 7.085 7.191 307 HD2 PHE 39 HD2 PHE 39 -14.734 6.844 6.944 308 HE1 PHE 39 HE1 PHE 39 -10.616 9.531 6.931 309 HE2 PHE 39 HE2 PHE 39 -14.862 9.288 6.684 310 HZ PHE 39 HZ PHE 39 -12.865 10.646 6.895 311 H LYS 40 HN LYS 40 -9.298 5.336 9.342 312 HA LYS 40 HA LYS 40 -10.387 7.429 10.967 313 HB2 LYS 40 HB2 LYS 40 -11.081 5.412 12.236 314 HB3 LYS 40 HB1 LYS 40 -9.399 4.920 12.306 315 HG2 LYS 40 HG2 LYS 40 -10.156 5.955 14.396 316 HG3 LYS 40 HG1 LYS 40 -8.834 6.844 13.643 317 HD2 LYS 40 HD2 LYS 40 -10.527 8.377 14.479 318 HD3 LYS 40 HD1 LYS 40 -10.450 8.446 12.718 319 HE2 LYS 40 HE2 LYS 40 -12.401 6.952 12.599 320 HE3 LYS 40 HE1 LYS 40 -12.484 6.943 14.359 321 HZ1 LYS 40 HZ1 LYS 40 -12.878 9.317 14.329 322 HZ2 LYS 40 HZ2 LYS 40 -14.036 8.521 13.390 323 HZ3 LYS 40 HZ3 LYS 40 -12.767 9.345 12.641 324 H GLY 41 HN GLY 41 -7.744 5.067 10.800 325 HA2 GLY 41 HA2 GLY 41 -5.874 7.341 10.771 326 HA3 GLY 41 HA1 GLY 41 -5.557 5.891 11.707 327 H THR 42 HN THR 42 -4.369 4.393 10.808 328 HA THR 42 HA THR 42 -4.248 3.979 7.920 329 HB THR 42 HB THR 42 -1.616 4.118 8.270 330 HG1 THR 42 HG1 THR 42 -2.670 5.490 10.414 331 HG21 THR 42 HG21 THR 42 -2.839 5.282 6.546 332 HG22 THR 42 HG22 THR 42 -1.696 6.391 7.311 333 HG23 THR 42 HG23 THR 42 -3.412 6.478 7.713 334 H ARG 43 HN ARG 43 -2.697 2.159 7.462 335 HA ARG 43 HA ARG 43 -2.472 0.315 9.734 336 HB2 ARG 43 HB2 ARG 43 -4.392 -0.163 8.107 337 HB3 ARG 43 HB1 ARG 43 -3.143 -0.551 6.946 338 HG2 ARG 43 HG2 ARG 43 -3.830 -2.595 7.849 339 HG3 ARG 43 HG1 ARG 43 -2.289 -2.234 8.624 340 HD2 ARG 43 HD2 ARG 43 -4.853 -1.417 9.924 341 HD3 ARG 43 HD1 ARG 43 -4.303 -3.083 10.041 342 HE ARG 43 HE ARG 43 -2.133 -1.668 10.815 343 HH11 ARG 43 HH11 ARG 43 -5.489 -1.635 11.799 344 HH12 ARG 43 HH12 ARG 43 -5.135 -1.221 13.446 345 HH21 ARG 43 HH21 ARG 43 -1.663 -1.122 12.986 346 HH22 ARG 43 HH22 ARG 43 -2.961 -0.917 14.118 347 H ILE 44 HN ILE 44 -0.315 0.091 10.033 348 HA ILE 44 HA ILE 44 1.307 0.523 7.640 349 HB ILE 44 HB ILE 44 2.076 1.181 10.474 350 HG12 ILE 44 HG12 ILE 44 2.160 3.488 9.169 351 HG13 ILE 44 HG11 ILE 44 0.971 2.690 8.159 352 HG21 ILE 44 HG21 ILE 44 3.906 0.412 8.895 353 HG22 ILE 44 HG22 ILE 44 4.100 2.037 9.567 354 HG23 ILE 44 HG23 ILE 44 3.507 1.831 7.917 355 HD11 ILE 44 HD11 ILE 44 -0.439 2.318 10.127 356 HD12 ILE 44 HD12 ILE 44 -0.122 4.029 9.844 357 HD13 ILE 44 HD13 ILE 44 0.745 3.171 11.120 358 H ILE 45 HN ILE 45 2.242 -1.011 6.885 359 HA ILE 45 HA ILE 45 3.132 -3.311 8.420 360 HB ILE 45 HB ILE 45 1.632 -4.182 7.047 361 HG12 ILE 45 HG12 ILE 45 4.041 -3.671 5.429 362 HG13 ILE 45 HG11 ILE 45 3.403 -5.165 6.111 363 HG21 ILE 45 HG21 ILE 45 0.764 -1.975 6.395 364 HG22 ILE 45 HG22 ILE 45 0.778 -3.115 5.049 365 HG23 ILE 45 HG23 ILE 45 2.024 -1.875 5.162 366 HD11 ILE 45 HD11 ILE 45 3.089 -4.980 3.676 367 HD12 ILE 45 HD12 ILE 45 2.090 -3.554 4.025 368 HD13 ILE 45 HD13 ILE 45 1.598 -5.140 4.613 369 H LYS 46 HN LYS 46 5.324 -4.103 7.788 370 HA LYS 46 HA LYS 46 6.783 -2.325 6.019 371 HB2 LYS 46 HB2 LYS 46 8.510 -1.807 7.725 372 HB3 LYS 46 HB1 LYS 46 6.942 -1.088 8.051 373 HG2 LYS 46 HG2 LYS 46 6.490 -2.910 9.658 374 HG3 LYS 46 HG1 LYS 46 8.127 -3.508 9.386 375 HD2 LYS 46 HD2 LYS 46 9.064 -1.435 10.199 376 HD3 LYS 46 HD1 LYS 46 7.452 -0.737 10.360 377 HE2 LYS 46 HE2 LYS 46 8.537 -3.091 11.897 378 HE3 LYS 46 HE1 LYS 46 8.303 -1.460 12.520 379 HZ1 LYS 46 HZ1 LYS 46 5.920 -1.707 12.108 380 HZ2 LYS 46 HZ2 LYS 46 6.492 -2.876 13.184 381 HZ3 LYS 46 HZ3 LYS 46 6.167 -3.294 11.580 382 H PHE 47 HN PHE 47 9.147 -2.867 5.975 383 HA PHE 47 HA PHE 47 9.836 -5.627 6.571 384 HB2 PHE 47 HB2 PHE 47 9.053 -5.708 4.179 385 HB3 PHE 47 HB1 PHE 47 10.223 -4.466 3.789 386 HD1 PHE 47 HD1 PHE 47 12.694 -5.015 4.311 387 HD2 PHE 47 HD2 PHE 47 9.671 -8.044 3.879 388 HE1 PHE 47 HE1 PHE 47 14.416 -6.691 3.845 389 HE2 PHE 47 HE2 PHE 47 11.424 -9.680 3.438 390 HZ PHE 47 HZ PHE 47 13.791 -9.025 3.415 391 H LYS 48 HN LYS 48 12.003 -5.727 7.028 392 HA LYS 48 HA LYS 48 13.460 -3.216 7.013 393 HB2 LYS 48 HB2 LYS 48 13.574 -3.100 9.457 394 HB3 LYS 48 HB1 LYS 48 11.927 -2.955 8.840 395 HG2 LYS 48 HG2 LYS 48 11.447 -5.244 9.470 396 HG3 LYS 48 HG1 LYS 48 13.110 -5.472 10.014 397 HD2 LYS 48 HD2 LYS 48 12.773 -3.702 11.698 398 HD3 LYS 48 HD1 LYS 48 11.093 -3.552 11.178 399 HE2 LYS 48 HE2 LYS 48 12.322 -6.095 12.230 400 HE3 LYS 48 HE1 LYS 48 11.427 -4.948 13.223 401 HZ1 LYS 48 HZ1 LYS 48 9.471 -5.341 11.926 402 HZ2 LYS 48 HZ2 LYS 48 10.075 -6.831 12.447 403 HZ3 LYS 48 HZ3 LYS 48 10.312 -6.337 10.850 404 H ASP 49 HN ASP 49 14.581 -4.865 5.669 405 HA ASP 49 HA ASP 49 16.950 -5.803 6.799 406 HB2 ASP 49 HB2 ASP 49 15.301 -7.484 7.810 407 HB3 ASP 49 HB1 ASP 49 15.020 -8.060 6.171 408 H ASP 50 HN ASP 50 17.676 -7.775 4.974 409 HA ASP 50 HA ASP 50 16.453 -7.413 2.429 410 HB2 ASP 50 HB2 ASP 50 17.884 -5.305 2.772 411 HB3 ASP 50 HB1 ASP 50 19.254 -6.378 2.550 412 H GLY 51 HN GLY 51 17.565 -9.451 4.383 413 HA2 GLY 51 HA2 GLY 51 18.800 -11.077 2.264 414 HA3 GLY 51 HA1 GLY 51 19.564 -10.987 3.843 415 H THR 52 HN THR 52 16.279 -10.771 4.215 416 HA THR 52 HA THR 52 15.985 -13.673 4.591 417 HB THR 52 HB THR 52 14.889 -13.301 6.734 418 HG1 THR 52 HG1 THR 52 15.963 -10.658 6.525 419 HG21 THR 52 HG21 THR 52 16.915 -12.914 8.050 420 HG22 THR 52 HG22 THR 52 17.725 -12.312 6.605 421 HG23 THR 52 HG23 THR 52 17.210 -13.997 6.690 422 H GLU 53 HN GLU 53 13.849 -14.424 4.743 423 HA GLU 53 HA GLU 53 11.904 -12.899 3.273 424 HB2 GLU 53 HB2 GLU 53 11.760 -15.593 4.634 425 HB3 GLU 53 HB1 GLU 53 10.464 -14.902 3.674 426 HG2 GLU 53 HG2 GLU 53 11.902 -14.904 1.713 427 HG3 GLU 53 HG1 GLU 53 13.220 -15.574 2.675 428 H ARG 54 HN ARG 54 12.254 -11.240 5.102 429 HA ARG 54 HA ARG 54 10.811 -11.758 7.526 430 HB2 ARG 54 HB2 ARG 54 12.819 -10.344 7.465 431 HB3 ARG 54 HB1 ARG 54 11.964 -9.179 6.465 432 HG2 ARG 54 HG2 ARG 54 10.591 -8.501 8.216 433 HG3 ARG 54 HG1 ARG 54 10.932 -9.947 9.168 434 HD2 ARG 54 HD2 ARG 54 12.968 -7.826 8.498 435 HD3 ARG 54 HD1 ARG 54 12.061 -7.891 10.009 436 HE ARG 54 HE ARG 54 13.228 -10.364 9.761 437 HH11 ARG 54 HH11 ARG 54 14.432 -7.069 9.866 438 HH12 ARG 54 HH12 ARG 54 15.924 -7.512 10.628 439 HH21 ARG 54 HH21 ARG 54 15.195 -10.934 10.760 440 HH22 ARG 54 HH22 ARG 54 16.361 -9.701 11.131 441 H SER 55 HN SER 55 10.065 -9.944 4.524 442 HA SER 55 HA SER 55 7.309 -9.798 5.312 443 HB2 SER 55 HB2 SER 55 8.944 -7.275 5.232 444 HB3 SER 55 HB1 SER 55 7.191 -7.326 5.316 445 HG SER 55 HG SER 55 8.066 -8.918 7.212 446 H ARG 56 HN ARG 56 8.642 -7.301 3.081 447 HA ARG 56 HA ARG 56 8.521 -6.944 0.837 448 HB2 ARG 56 HB2 ARG 56 9.640 -9.340 1.319 449 HB3 ARG 56 HB1 ARG 56 8.481 -9.667 0.064 450 HG2 ARG 56 HG2 ARG 56 10.254 -9.043 -1.229 451 HG3 ARG 56 HG1 ARG 56 9.547 -7.454 -0.942 452 HD2 ARG 56 HD2 ARG 56 11.852 -7.223 -0.536 453 HD3 ARG 56 HD1 ARG 56 11.091 -7.289 1.053 454 HE ARG 56 HE ARG 56 11.747 -9.741 0.999 455 HH11 ARG 56 HH11 ARG 56 13.564 -7.289 -0.733 456 HH12 ARG 56 HH12 ARG 56 15.070 -8.137 -0.607 457 HH21 ARG 56 HH21 ARG 56 13.745 -10.856 1.163 458 HH22 ARG 56 HH22 ARG 56 15.172 -10.154 0.466 459 H TRP 57 HN TRP 57 6.884 -6.319 -0.427 460 HA TRP 57 HA TRP 57 4.282 -7.595 0.027 461 HB2 TRP 57 HB2 TRP 57 4.814 -4.706 0.650 462 HB3 TRP 57 HB1 TRP 57 3.372 -5.625 1.022 463 HD1 TRP 57 HD1 TRP 57 6.919 -4.971 2.206 464 HE1 TRP 57 HE1 TRP 57 7.227 -5.885 4.585 465 HE3 TRP 57 HE3 TRP 57 2.508 -7.537 2.682 466 HZ2 TRP 57 HZ2 TRP 57 5.729 -7.408 6.453 467 HZ3 TRP 57 HZ3 TRP 57 2.025 -8.666 4.793 468 HH2 TRP 57 HH2 TRP 57 3.610 -8.613 6.637 469 H ASN 58 HN ASN 58 3.086 -7.599 -1.839 470 HA ASN 58 HA ASN 58 2.557 -4.944 -3.034 471 HB2 ASN 58 HB2 ASN 58 3.582 -5.972 -4.881 472 HB3 ASN 58 HB1 ASN 58 2.927 -7.556 -4.489 473 HD21 ASN 58 HD21 ASN 58 0.867 -8.097 -5.171 474 HD22 ASN 58 HD22 ASN 58 -0.015 -7.136 -6.305 475 H CYS 59 HN CYS 59 0.365 -4.433 -2.798 476 HA CYS 59 HA CYS 59 -1.069 -6.595 -1.439 477 HB2 CYS 59 HB2 CYS 59 -2.221 -4.047 -0.854 478 HB3 CYS 59 HB1 CYS 59 -1.518 -5.223 0.226 479 H LEU 60 HN LEU 60 -3.236 -6.796 -1.496 480 HA LEU 60 HA LEU 60 -4.525 -5.880 -3.963 481 HB2 LEU 60 HB2 LEU 60 -3.713 -8.240 -4.109 482 HB3 LEU 60 HB1 LEU 60 -4.647 -8.627 -2.678 483 HG LEU 60 HG LEU 60 -6.696 -7.891 -4.036 484 HD11 LEU 60 HD11 LEU 60 -6.463 -8.088 -6.457 485 HD12 LEU 60 HD12 LEU 60 -4.719 -8.277 -6.277 486 HD13 LEU 60 HD13 LEU 60 -5.493 -6.758 -5.824 487 HD21 LEU 60 HD21 LEU 60 -6.872 -10.095 -5.082 488 HD22 LEU 60 HD22 LEU 60 -6.218 -10.205 -3.448 489 HD23 LEU 60 HD23 LEU 60 -5.145 -10.347 -4.839 490 H PHE 61 HN PHE 61 -6.522 -5.014 -3.520 491 HA PHE 61 HA PHE 61 -7.294 -5.073 -0.698 492 HB2 PHE 61 HB2 PHE 61 -8.103 -3.230 -2.973 493 HB3 PHE 61 HB1 PHE 61 -8.878 -3.208 -1.405 494 HD1 PHE 61 HD1 PHE 61 -5.224 -3.670 -1.649 495 HD2 PHE 61 HD2 PHE 61 -8.408 -0.931 -1.133 496 HE1 PHE 61 HE1 PHE 61 -3.641 -1.967 -0.956 497 HE2 PHE 61 HE2 PHE 61 -6.861 0.795 -0.500 498 HZ PHE 61 HZ PHE 61 -4.435 0.301 -0.367 499 H ARG 62 HN ARG 62 -8.904 -6.373 -0.122 500 HA ARG 62 HA ARG 62 -11.041 -6.989 -2.043 501 HB2 ARG 62 HB2 ARG 62 -9.415 -8.797 -2.237 502 HB3 ARG 62 HB1 ARG 62 -9.377 -8.996 -0.494 503 HG2 ARG 62 HG2 ARG 62 -10.659 -10.767 -1.428 504 HG3 ARG 62 HG1 ARG 62 -11.762 -9.685 -0.580 505 HD2 ARG 62 HD2 ARG 62 -12.596 -8.793 -2.592 506 HD3 ARG 62 HD1 ARG 62 -11.262 -9.461 -3.535 507 HE ARG 62 HE ARG 62 -12.545 -11.623 -2.409 508 HH11 ARG 62 HH11 ARG 62 -13.452 -9.014 -4.554 509 HH12 ARG 62 HH12 ARG 62 -14.597 -9.968 -5.438 510 HH21 ARG 62 HH21 ARG 62 -14.053 -12.884 -3.575 511 HH22 ARG 62 HH22 ARG 62 -14.943 -12.166 -4.882 512 H GLN 63 HN GLN 63 -13.030 -7.158 -1.081 513 HA GLN 63 HA GLN 63 -14.656 -7.359 0.487 514 HB2 GLN 63 HB2 GLN 63 -13.424 -9.346 1.253 515 HB3 GLN 63 HB1 GLN 63 -12.434 -8.333 2.292 516 HG2 GLN 63 HG2 GLN 63 -14.452 -7.690 3.544 517 HG3 GLN 63 HG1 GLN 63 -15.401 -8.776 2.531 518 HE21 GLN 63 HE21 GLN 63 -13.226 -10.756 2.431 519 HE22 GLN 63 HE22 GLN 63 -13.252 -11.545 3.966 520 H GLY 64 HN GLY 64 -14.957 -5.117 0.455 521 HA2 GLY 64 HA2 GLY 64 -13.669 -3.570 2.593 522 HA3 GLY 64 HA1 GLY 64 -14.622 -2.911 1.271 523 H ILE 65 HN ILE 65 -16.603 -5.118 1.835 524 HA ILE 65 HA ILE 65 -17.698 -4.533 4.394 525 HB ILE 65 HB ILE 65 -18.507 -2.587 3.378 526 HG12 ILE 65 HG12 ILE 65 -20.975 -2.938 3.321 527 HG13 ILE 65 HG11 ILE 65 -20.697 -4.677 3.337 528 HG21 ILE 65 HG21 ILE 65 -19.581 -4.217 1.123 529 HG22 ILE 65 HG22 ILE 65 -18.034 -3.376 1.101 530 HG23 ILE 65 HG23 ILE 65 -19.535 -2.459 1.257 531 HD11 ILE 65 HD11 ILE 65 -19.632 -4.479 5.527 532 HD12 ILE 65 HD12 ILE 65 -21.284 -3.860 5.542 533 HD13 ILE 65 HD13 ILE 65 -19.923 -2.740 5.507 534 H ASN 66 HN ASN 66 -18.628 -5.650 1.186 535 HA ASN 66 HA ASN 66 -19.406 -8.243 2.332 536 HB2 ASN 66 HB2 ASN 66 -20.130 -7.027 -0.356 537 HB3 ASN 66 HB1 ASN 66 -20.654 -8.601 0.224 538 HD21 ASN 66 HD21 ASN 66 -22.272 -6.381 -0.613 539 HD22 ASN 66 HD22 ASN 66 -23.259 -5.942 0.737 540 H MET 67 HN MET 67 -19.145 -9.545 -0.304 541 HA MET 67 HA MET 67 -16.311 -9.915 -0.417 542 HB2 MET 67 HB2 MET 67 -18.449 -10.759 -2.389 543 HB3 MET 67 HB1 MET 67 -16.779 -11.302 -2.413 544 HG2 MET 67 HG2 MET 67 -18.791 -11.820 -0.235 545 HG3 MET 67 HG1 MET 67 -18.215 -12.982 -1.428 546 HE1 MET 67 HE1 MET 67 -15.812 -14.028 -1.452 547 HE2 MET 67 HE2 MET 67 -14.508 -13.537 -0.372 548 HE3 MET 67 HE3 MET 67 -15.111 -12.417 -1.593 549 H LYS 68 HN LYS 68 -18.427 -7.615 -1.609 550 HA LYS 68 HA LYS 68 -17.177 -6.757 -3.975 551 HB2 LYS 68 HB2 LYS 68 -18.879 -5.347 -1.928 552 HB3 LYS 68 HB1 LYS 68 -18.279 -4.534 -3.365 553 HG2 LYS 68 HG2 LYS 68 -19.949 -7.031 -3.447 554 HG3 LYS 68 HG1 LYS 68 -20.616 -5.400 -3.522 555 HD2 LYS 68 HD2 LYS 68 -19.130 -4.985 -5.497 556 HD3 LYS 68 HD1 LYS 68 -18.725 -6.701 -5.470 557 HE2 LYS 68 HE2 LYS 68 -20.980 -7.320 -5.918 558 HE3 LYS 68 HE1 LYS 68 -21.543 -5.667 -5.672 559 HZ1 LYS 68 HZ1 LYS 68 -19.804 -6.625 -7.876 560 HZ2 LYS 68 HZ2 LYS 68 -20.213 -5.004 -7.608 561 HZ3 LYS 68 HZ3 LYS 68 -21.416 -6.128 -8.007 562 H PHE 69 HN PHE 69 -16.215 -4.509 -4.134 563 HA PHE 69 HA PHE 69 -14.614 -2.979 -3.725 564 HB2 PHE 69 HB2 PHE 69 -14.948 -3.998 -0.920 565 HB3 PHE 69 HB1 PHE 69 -13.610 -2.923 -1.314 566 HD1 PHE 69 HD1 PHE 69 -13.961 -0.605 -1.665 567 HD2 PHE 69 HD2 PHE 69 -17.274 -3.237 -1.210 568 HE1 PHE 69 HE1 PHE 69 -15.464 1.327 -1.429 569 HE2 PHE 69 HE2 PHE 69 -18.780 -1.307 -0.970 570 HZ PHE 69 HZ PHE 69 -17.861 0.989 -1.072 571 H PHE 70 HN PHE 70 -12.940 -3.465 -4.914 572 HA PHE 70 HA PHE 70 -10.912 -5.369 -4.040 573 HB2 PHE 70 HB2 PHE 70 -12.692 -6.507 -5.405 574 HB3 PHE 70 HB1 PHE 70 -12.199 -5.512 -6.761 575 HD1 PHE 70 HD1 PHE 70 -10.500 -7.424 -4.134 576 HD2 PHE 70 HD2 PHE 70 -10.924 -6.683 -8.272 577 HE1 PHE 70 HE1 PHE 70 -8.775 -9.041 -4.574 578 HE2 PHE 70 HE2 PHE 70 -9.182 -8.321 -8.759 579 HZ PHE 70 HZ PHE 70 -8.080 -9.532 -6.905 580 H THR 71 HN THR 71 -8.920 -5.073 -5.091 581 HA THR 71 HA THR 71 -8.351 -3.782 -7.434 582 HB THR 71 HB THR 71 -9.213 -1.721 -6.082 583 HG1 THR 71 HG1 THR 71 -8.372 -0.842 -7.793 584 HG21 THR 71 HG21 THR 71 -6.485 -2.159 -4.952 585 HG22 THR 71 HG22 THR 71 -7.947 -1.606 -4.131 586 HG23 THR 71 HG23 THR 71 -7.064 -0.509 -5.211 587 H GLU 72 HN GLU 72 -5.974 -2.936 -7.478 588 HA GLU 72 HA GLU 72 -4.381 -4.643 -5.707 589 HB2 GLU 72 HB2 GLU 72 -4.941 -5.675 -7.985 590 HB3 GLU 72 HB1 GLU 72 -3.845 -4.469 -8.639 591 HG2 GLU 72 HG2 GLU 72 -2.074 -5.331 -7.120 592 HG3 GLU 72 HG1 GLU 72 -3.172 -6.635 -6.672 593 H VAL 73 HN VAL 73 -2.667 -3.598 -4.888 594 HA VAL 73 HA VAL 73 -1.680 -1.237 -6.313 595 HB VAL 73 HB VAL 73 -1.873 -1.012 -3.370 596 HG11 VAL 73 HG11 VAL 73 -2.275 1.366 -3.989 597 HG12 VAL 73 HG12 VAL 73 -2.096 0.896 -5.677 598 HG13 VAL 73 HG13 VAL 73 -0.744 0.709 -4.565 599 HG21 VAL 73 HG21 VAL 73 -4.099 -1.718 -3.697 600 HG22 VAL 73 HG22 VAL 73 -4.251 -0.765 -5.181 601 HG23 VAL 73 HG23 VAL 73 -4.151 0.049 -3.618 602 H GLU 74 HN GLU 74 0.428 -1.589 -6.627 603 HA GLU 74 HA GLU 74 1.900 -3.461 -5.109 604 HB2 GLU 74 HB2 GLU 74 3.835 -2.049 -6.389 605 HB3 GLU 74 HB1 GLU 74 2.971 -3.430 -7.053 606 HG2 GLU 74 HG2 GLU 74 1.390 -1.991 -8.093 607 HG3 GLU 74 HG1 GLU 74 2.165 -0.565 -7.408 608 H ALA 75 HN ALA 75 3.491 -3.187 -3.640 609 HA ALA 75 HA ALA 75 3.732 -0.514 -2.420 610 HB1 ALA 75 HB1 ALA 75 2.569 -2.074 -0.980 611 HB2 ALA 75 HB2 ALA 75 4.162 -1.704 -0.317 612 HB3 ALA 75 HB3 ALA 75 3.885 -3.237 -1.142 613 H TYR 76 HN TYR 76 5.365 -3.597 -2.924 614 HA TYR 76 HA TYR 76 7.955 -2.261 -3.144 615 HB2 TYR 76 HB2 TYR 76 7.426 -3.016 -0.742 616 HB3 TYR 76 HB1 TYR 76 7.548 -4.660 -1.358 617 HD1 TYR 76 HD1 TYR 76 9.851 -4.564 -3.148 618 HD2 TYR 76 HD2 TYR 76 9.258 -2.664 0.609 619 HE1 TYR 76 HE1 TYR 76 12.273 -4.471 -2.817 620 HE2 TYR 76 HE2 TYR 76 11.678 -2.563 0.950 621 HH TYR 76 HH TYR 76 13.905 -3.053 -1.503 622 H ARG 77 HN ARG 77 8.320 -2.809 -5.206 623 HA ARG 77 HA ARG 77 8.610 -5.553 -6.016 624 HB2 ARG 77 HB2 ARG 77 6.080 -4.863 -6.102 625 HB3 ARG 77 HB1 ARG 77 6.550 -3.920 -7.503 626 HG2 ARG 77 HG2 ARG 77 7.293 -6.792 -7.471 627 HG3 ARG 77 HG1 ARG 77 5.596 -6.378 -7.693 628 HD2 ARG 77 HD2 ARG 77 7.884 -5.341 -9.363 629 HD3 ARG 77 HD1 ARG 77 6.763 -6.619 -9.836 630 HE ARG 77 HE ARG 77 5.108 -4.576 -9.272 631 HH11 ARG 77 HH11 ARG 77 7.928 -4.854 -11.321 632 HH12 ARG 77 HH12 ARG 77 7.437 -3.584 -12.388 633 HH21 ARG 77 HH21 ARG 77 4.459 -2.880 -10.666 634 HH22 ARG 77 HH22 ARG 77 5.476 -2.455 -12.013 635 HA PRO 78 HA PRO 78 11.726 -3.552 -8.485 636 HB2 PRO 78 HB2 PRO 78 11.761 -5.170 -10.670 637 HB3 PRO 78 HB1 PRO 78 12.580 -5.519 -9.150 638 HG2 PRO 78 HG2 PRO 78 9.937 -6.499 -10.153 639 HG3 PRO 78 HG1 PRO 78 11.210 -7.390 -9.296 640 HD2 PRO 78 HD2 PRO 78 9.031 -6.561 -8.015 641 HD3 PRO 78 HD1 PRO 78 10.622 -6.488 -7.233 642 H ASP 79 HN ASP 79 9.326 -2.254 -8.829 643 HA ASP 79 HA ASP 79 9.312 -1.482 -11.662 644 HB2 ASP 79 HB2 ASP 79 7.157 -1.862 -10.266 645 HB3 ASP 79 HB1 ASP 79 7.572 -0.335 -9.506 646 H LEU 80 HN LEU 80 9.039 1.183 -11.719 647 HA LEU 80 HA LEU 80 11.341 2.368 -10.692 648 HB2 LEU 80 HB2 LEU 80 9.776 3.283 -12.462 649 HB3 LEU 80 HB1 LEU 80 8.752 3.799 -11.148 650 HG LEU 80 HG LEU 80 10.315 5.524 -12.254 651 HD11 LEU 80 HD11 LEU 80 9.045 6.018 -10.256 652 HD12 LEU 80 HD12 LEU 80 10.668 6.695 -10.132 653 HD13 LEU 80 HD13 LEU 80 10.259 5.219 -9.259 654 HD21 LEU 80 HD21 LEU 80 12.550 5.666 -11.334 655 HD22 LEU 80 HD22 LEU 80 12.334 4.133 -12.181 656 HD23 LEU 80 HD23 LEU 80 12.292 4.181 -10.418 657 H LYS 81 HN LYS 81 8.516 1.455 -9.239 658 HA LYS 81 HA LYS 81 8.526 2.952 -6.835 659 HB2 LYS 81 HB2 LYS 81 6.596 1.664 -7.780 660 HB3 LYS 81 HB1 LYS 81 7.403 0.186 -7.288 661 HG2 LYS 81 HG2 LYS 81 7.309 0.930 -4.952 662 HG3 LYS 81 HG1 LYS 81 6.464 2.391 -5.461 663 HD2 LYS 81 HD2 LYS 81 5.382 -0.308 -6.175 664 HD3 LYS 81 HD1 LYS 81 5.109 0.357 -4.566 665 HE2 LYS 81 HE2 LYS 81 3.219 0.910 -5.902 666 HE3 LYS 81 HE1 LYS 81 4.142 2.386 -5.656 667 HZ1 LYS 81 HZ1 LYS 81 4.998 2.246 -7.855 668 HZ2 LYS 81 HZ2 LYS 81 3.321 2.062 -7.950 669 HZ3 LYS 81 HZ3 LYS 81 4.327 0.707 -8.100 670 H HIS 82 HN HIS 82 10.941 1.221 -7.890 671 HA HIS 82 HA HIS 82 11.736 -0.859 -6.389 672 HB2 HIS 82 HB2 HIS 82 13.035 1.243 -7.884 673 HB3 HIS 82 HB1 HIS 82 14.025 0.765 -6.513 674 HD1 HIS 82 HD1 HIS 82 12.365 -0.763 -9.569 675 HD2 HIS 82 HD2 HIS 82 15.454 -1.525 -6.884 676 HE1 HIS 82 HE1 HIS 82 13.613 -2.742 -10.501 677 HE2 HIS 82 HE2 HIS 82 15.370 -3.279 -8.782 678 HA PRO 83 HA PRO 83 12.441 -0.375 -2.058 679 HB2 PRO 83 HB2 PRO 83 15.286 -0.645 -2.203 680 HB3 PRO 83 HB1 PRO 83 14.095 -1.857 -1.731 681 HG2 PRO 83 HG2 PRO 83 15.411 -1.423 -4.344 682 HG3 PRO 83 HG1 PRO 83 14.748 -2.912 -3.647 683 HD2 PRO 83 HD2 PRO 83 13.501 -1.662 -5.644 684 HD3 PRO 83 HD1 PRO 83 12.576 -2.399 -4.316 685 H LEU 84 HN LEU 84 12.620 1.304 -0.782 686 HA LEU 84 HA LEU 84 14.211 3.621 -1.648 687 HB2 LEU 84 HB2 LEU 84 11.577 3.449 -0.832 688 HB3 LEU 84 HB1 LEU 84 12.399 3.953 0.620 689 HG LEU 84 HG LEU 84 13.341 5.893 -0.578 690 HD11 LEU 84 HD11 LEU 84 11.686 4.877 -2.881 691 HD12 LEU 84 HD12 LEU 84 13.443 5.009 -2.818 692 HD13 LEU 84 HD13 LEU 84 12.449 6.464 -2.808 693 HD21 LEU 84 HD21 LEU 84 10.345 5.653 -0.798 694 HD22 LEU 84 HD22 LEU 84 11.261 7.160 -0.829 695 HD23 LEU 84 HD23 LEU 84 11.249 6.165 0.626 696 H CYS 85 HN CYS 85 15.248 4.849 0.147 697 HA CYS 85 HA CYS 85 15.952 3.054 2.342 698 HB2 CYS 85 HB2 CYS 85 17.467 5.369 1.202 699 HB3 CYS 85 HB1 CYS 85 17.875 4.640 2.732 700 H GLY 86 HN GLY 86 13.877 5.392 1.733 701 HA2 GLY 86 HA2 GLY 86 14.090 6.534 4.435 702 HA3 GLY 86 HA1 GLY 86 13.160 7.240 3.128 703 H LYS 87 HN LYS 87 11.352 5.616 2.288 704 HA LYS 87 HA LYS 87 10.468 3.603 4.058 705 HB2 LYS 87 HB2 LYS 87 8.342 4.501 4.731 706 HB3 LYS 87 HB1 LYS 87 9.684 5.386 5.447 707 HG2 LYS 87 HG2 LYS 87 9.379 7.165 3.761 708 HG3 LYS 87 HG1 LYS 87 7.994 6.284 3.115 709 HD2 LYS 87 HD2 LYS 87 8.236 7.328 5.936 710 HD3 LYS 87 HD1 LYS 87 7.329 8.104 4.638 711 HE2 LYS 87 HE2 LYS 87 5.859 6.178 4.479 712 HE3 LYS 87 HE1 LYS 87 6.801 5.331 5.705 713 HZ1 LYS 87 HZ1 LYS 87 4.808 6.308 6.646 714 HZ2 LYS 87 HZ2 LYS 87 5.283 7.846 6.126 715 HZ3 LYS 87 HZ3 LYS 87 6.188 7.034 7.300 716 H ARG 88 HN ARG 88 7.788 3.519 3.568 717 HA ARG 88 HA ARG 88 7.638 3.186 0.684 718 HB2 ARG 88 HB2 ARG 88 7.406 1.159 2.366 719 HB3 ARG 88 HB1 ARG 88 5.755 1.734 2.442 720 HG2 ARG 88 HG2 ARG 88 5.690 0.133 0.779 721 HG3 ARG 88 HG1 ARG 88 5.812 1.640 -0.119 722 HD2 ARG 88 HD2 ARG 88 8.118 -0.180 0.554 723 HD3 ARG 88 HD1 ARG 88 7.279 -0.144 -0.991 724 HE ARG 88 HE ARG 88 8.718 2.212 0.049 725 HH11 ARG 88 HH11 ARG 88 7.999 -0.066 -2.497 726 HH12 ARG 88 HH12 ARG 88 9.047 0.698 -3.656 727 HH21 ARG 88 HH21 ARG 88 10.075 3.247 -1.489 728 HH22 ARG 88 HH22 ARG 88 10.233 2.572 -3.079 729 H TYR 89 HN TYR 89 5.286 3.343 -0.125 730 HA TYR 89 HA TYR 89 4.510 6.020 0.753 731 HB2 TYR 89 HB2 TYR 89 3.723 4.640 -1.814 732 HB3 TYR 89 HB1 TYR 89 3.715 6.365 -1.463 733 HD1 TYR 89 HD1 TYR 89 5.457 3.787 -3.062 734 HD2 TYR 89 HD2 TYR 89 6.104 7.358 -0.846 735 HE1 TYR 89 HE1 TYR 89 7.704 3.974 -4.036 736 HE2 TYR 89 HE2 TYR 89 8.352 7.561 -1.819 737 HH TYR 89 HH TYR 89 9.360 5.797 -4.491 738 H GLU 90 HN GLU 90 2.216 6.576 0.682 739 HA GLU 90 HA GLU 90 0.645 4.448 1.892 740 HB2 GLU 90 HB2 GLU 90 0.491 6.346 3.213 741 HB3 GLU 90 HB1 GLU 90 0.439 7.428 1.842 742 HG2 GLU 90 HG2 GLU 90 -1.855 6.469 1.349 743 HG3 GLU 90 HG1 GLU 90 -1.757 5.696 2.929 744 H LEU 91 HN LEU 91 -0.831 3.377 0.935 745 HA LEU 91 HA LEU 91 -2.133 4.526 -1.437 746 HB2 LEU 91 HB2 LEU 91 -2.725 1.736 -1.027 747 HB3 LEU 91 HB1 LEU 91 -2.024 2.520 -2.417 748 HG LEU 91 HG LEU 91 -0.353 1.734 -0.034 749 HD11 LEU 91 HD11 LEU 91 -1.438 -0.249 -1.072 750 HD12 LEU 91 HD12 LEU 91 0.320 -0.237 -1.210 751 HD13 LEU 91 HD13 LEU 91 -0.674 0.196 -2.597 752 HD21 LEU 91 HD21 LEU 91 0.607 3.448 -1.484 753 HD22 LEU 91 HD22 LEU 91 0.360 2.408 -2.887 754 HD23 LEU 91 HD23 LEU 91 1.494 1.928 -1.625 755 H SER 92 HN SER 92 -4.159 5.178 -1.101 756 HA SER 92 HA SER 92 -5.523 4.075 1.261 757 HB2 SER 92 HB2 SER 92 -6.529 6.337 1.572 758 HB3 SER 92 HB1 SER 92 -4.775 6.333 1.756 759 HG SER 92 HG SER 92 -4.560 7.260 -0.232 760 H ALA 93 HN ALA 93 -7.429 3.298 0.997 761 HA ALA 93 HA ALA 93 -8.710 3.500 -1.585 762 HB1 ALA 93 HB1 ALA 93 -9.505 1.531 -1.079 763 HB2 ALA 93 HB2 ALA 93 -10.295 2.179 0.367 764 HB3 ALA 93 HB3 ALA 93 -8.620 1.610 0.456 765 H ARG 94 HN ARG 94 -9.651 5.282 -1.943 766 HA ARG 94 HA ARG 94 -10.982 6.713 0.316 767 HB2 ARG 94 HB2 ARG 94 -8.706 7.568 -0.697 768 HB3 ARG 94 HB1 ARG 94 -9.690 8.077 -2.037 769 HG2 ARG 94 HG2 ARG 94 -10.837 9.650 -0.787 770 HG3 ARG 94 HG1 ARG 94 -10.364 8.924 0.747 771 HD2 ARG 94 HD2 ARG 94 -8.085 9.646 0.435 772 HD3 ARG 94 HD1 ARG 94 -8.457 10.240 -1.182 773 HE ARG 94 HE ARG 94 -10.048 11.802 0.062 774 HH11 ARG 94 HH11 ARG 94 -7.019 10.656 1.419 775 HH12 ARG 94 HH12 ARG 94 -6.788 12.064 2.402 776 HH21 ARG 94 HH21 ARG 94 -9.722 13.659 1.331 777 HH22 ARG 94 HH22 ARG 94 -8.319 13.778 2.340 778 H MET 95 HN MET 95 -12.543 7.824 0.077 779 HA MET 95 HA MET 95 -14.762 7.615 -0.990 780 HB2 MET 95 HB2 MET 95 -13.612 10.313 -1.600 781 HB3 MET 95 HB1 MET 95 -15.144 9.908 -0.841 782 HG2 MET 95 HG2 MET 95 -14.048 9.342 1.214 783 HG3 MET 95 HG1 MET 95 -12.449 9.514 0.487 784 HE1 MET 95 HE1 MET 95 -11.693 11.103 2.467 785 HE2 MET 95 HE2 MET 95 -13.278 10.914 3.218 786 HE3 MET 95 HE3 MET 95 -12.599 12.525 2.986 787 H ASP 96 HN ASP 96 -12.227 9.091 -3.038 788 HA ASP 96 HA ASP 96 -13.955 8.813 -5.380 789 HB2 ASP 96 HB2 ASP 96 -12.824 10.984 -4.944 790 HB3 ASP 96 HB1 ASP 96 -11.271 10.187 -5.167 791 H ALA 97 HN ALA 97 -10.705 7.769 -4.257 792 HA ALA 97 HA ALA 97 -10.791 5.469 -5.977 793 HB1 ALA 97 HB1 ALA 97 -9.103 7.814 -6.760 794 HB2 ALA 97 HB2 ALA 97 -10.081 6.761 -7.779 795 HB3 ALA 97 HB3 ALA 97 -8.536 6.172 -7.117 796 H ILE 98 HN ILE 98 -8.396 4.584 -6.064 797 HA ILE 98 HA ILE 98 -7.396 4.495 -3.353 798 HB ILE 98 HB ILE 98 -6.590 3.040 -5.889 799 HG12 ILE 98 HG12 ILE 98 -8.736 2.579 -4.413 800 HG13 ILE 98 HG11 ILE 98 -7.771 1.232 -5.010 801 HG21 ILE 98 HG21 ILE 98 -4.622 3.546 -4.342 802 HG22 ILE 98 HG22 ILE 98 -4.933 1.828 -4.601 803 HG23 ILE 98 HG23 ILE 98 -5.438 2.595 -3.094 804 HD11 ILE 98 HD11 ILE 98 -6.709 1.029 -2.877 805 HD12 ILE 98 HD12 ILE 98 -8.460 1.047 -2.659 806 HD13 ILE 98 HD13 ILE 98 -7.504 2.505 -2.314 807 H TYR 99 HN TYR 99 -6.178 6.025 -2.712 808 HA TYR 99 HA TYR 99 -4.846 7.784 -4.612 809 HB2 TYR 99 HB2 TYR 99 -5.505 7.932 -1.693 810 HB3 TYR 99 HB1 TYR 99 -4.266 8.987 -2.349 811 HD1 TYR 99 HD1 TYR 99 -7.608 7.895 -3.649 812 HD2 TYR 99 HD2 TYR 99 -5.094 11.123 -2.485 813 HE1 TYR 99 HE1 TYR 99 -9.357 9.492 -4.315 814 HE2 TYR 99 HE2 TYR 99 -6.832 12.726 -3.149 815 HH TYR 99 HH TYR 99 -10.015 11.844 -3.757 816 H PHE 100 HN PHE 100 -2.674 8.117 -4.737 817 HA PHE 100 HA PHE 100 -1.011 6.248 -3.187 818 HB2 PHE 100 HB2 PHE 100 -1.140 5.737 -5.623 819 HB3 PHE 100 HB1 PHE 100 -0.461 7.323 -5.963 820 HD1 PHE 100 HD1 PHE 100 1.854 7.647 -5.984 821 HD2 PHE 100 HD2 PHE 100 0.237 4.105 -4.272 822 HE1 PHE 100 HE1 PHE 100 4.115 6.698 -5.817 823 HE2 PHE 100 HE2 PHE 100 2.498 3.149 -4.102 824 HZ PHE 100 HZ PHE 100 4.440 4.448 -4.875 825 H LYS 101 HN LYS 101 -0.065 7.399 -1.633 826 HA LYS 101 HA LYS 101 0.689 10.175 -2.174 827 HB2 LYS 101 HB2 LYS 101 -0.606 10.115 -0.248 828 HB3 LYS 101 HB1 LYS 101 0.142 8.641 0.343 829 HG2 LYS 101 HG2 LYS 101 0.848 10.471 1.714 830 HG3 LYS 101 HG1 LYS 101 2.224 9.930 0.755 831 HD2 LYS 101 HD2 LYS 101 1.779 11.774 -0.840 832 HD3 LYS 101 HD1 LYS 101 0.489 12.341 0.223 833 HE2 LYS 101 HE2 LYS 101 3.400 12.093 0.968 834 HE3 LYS 101 HE1 LYS 101 2.571 13.593 0.557 835 HZ1 LYS 101 HZ1 LYS 101 1.925 11.836 2.865 836 HZ2 LYS 101 HZ2 LYS 101 1.132 13.278 2.473 837 HZ3 LYS 101 HZ3 LYS 101 2.755 13.306 2.944 838 H MET 102 HN MET 102 2.625 10.618 -2.658 839 HA MET 102 HA MET 102 4.878 9.372 -1.314 840 HB2 MET 102 HB2 MET 102 6.083 8.911 -3.366 841 HB3 MET 102 HB1 MET 102 4.546 8.061 -3.423 842 HG2 MET 102 HG2 MET 102 3.634 9.843 -4.843 843 HG3 MET 102 HG1 MET 102 5.198 10.652 -4.808 844 HE1 MET 102 HE1 MET 102 7.404 9.661 -5.900 845 HE2 MET 102 HE2 MET 102 7.478 8.099 -6.716 846 HE3 MET 102 HE3 MET 102 7.215 8.172 -4.974 847 H ASP 103 HN ASP 103 6.883 10.719 -1.777 848 HA ASP 103 HA ASP 103 6.149 13.499 -1.712 849 HB2 ASP 103 HB2 ASP 103 8.110 12.247 -0.495 850 HB3 ASP 103 HB1 ASP 103 8.961 12.634 -1.983 851 H GLU 104 HN GLU 104 8.004 14.876 -3.030 852 HA GLU 104 HA GLU 104 8.557 15.744 -5.035 853 HB2 GLU 104 HB2 GLU 104 9.627 13.527 -5.376 854 HB3 GLU 104 HB1 GLU 104 8.144 12.993 -6.139 855 HG2 GLU 104 HG2 GLU 104 9.730 13.570 -7.828 856 HG3 GLU 104 HG1 GLU 104 8.416 14.743 -7.838 857 H ARG 105 HN ARG 105 5.627 14.169 -4.475 858 HA ARG 105 HA ARG 105 4.275 15.981 -6.323 859 HB2 ARG 105 HB2 ARG 105 3.160 14.370 -7.599 860 HB3 ARG 105 HB1 ARG 105 4.791 13.726 -7.483 861 HG2 ARG 105 HG2 ARG 105 4.115 12.179 -5.773 862 HG3 ARG 105 HG1 ARG 105 2.500 12.888 -5.721 863 HD2 ARG 105 HD2 ARG 105 2.418 12.288 -8.235 864 HD3 ARG 105 HD1 ARG 105 3.761 11.209 -7.856 865 HE ARG 105 HE ARG 105 1.977 10.520 -5.992 866 HH11 ARG 105 HH11 ARG 105 1.705 10.903 -9.454 867 HH12 ARG 105 HH12 ARG 105 0.346 9.833 -9.597 868 HH21 ARG 105 HH21 ARG 105 0.178 9.112 -6.170 869 HH22 ARG 105 HH22 ARG 105 -0.530 8.830 -7.733 870 HA PRO 106 HA PRO 106 1.225 15.886 -3.066 871 HB2 PRO 106 HB2 PRO 106 -0.916 16.409 -4.970 872 HB3 PRO 106 HB1 PRO 106 -0.217 17.492 -3.767 873 HG2 PRO 106 HG2 PRO 106 0.118 17.847 -6.433 874 HG3 PRO 106 HG1 PRO 106 1.331 18.338 -5.238 875 HD2 PRO 106 HD2 PRO 106 1.257 15.890 -6.967 876 HD3 PRO 106 HD1 PRO 106 2.627 16.952 -6.576 877 HA PRO 107 HA PRO 107 -0.667 11.840 -3.069 878 HB2 PRO 107 HB2 PRO 107 -2.710 12.393 -1.296 879 HB3 PRO 107 HB1 PRO 107 -1.063 11.966 -0.832 880 HG2 PRO 107 HG2 PRO 107 -2.351 14.650 -0.992 881 HG3 PRO 107 HG1 PRO 107 -1.195 14.029 0.199 882 HD2 PRO 107 HD2 PRO 107 -0.451 15.705 -1.772 883 HD3 PRO 107 HD1 PRO 107 0.623 14.423 -1.176 884 H GLN 108 HN GLN 108 -1.791 11.262 -4.837 885 HA GLN 108 HA GLN 108 -4.464 12.371 -5.212 886 HB2 GLN 108 HB2 GLN 108 -3.978 12.525 -7.703 887 HB3 GLN 108 HB1 GLN 108 -3.274 13.776 -6.682 888 HG2 GLN 108 HG2 GLN 108 -1.130 12.599 -6.735 889 HG3 GLN 108 HG1 GLN 108 -1.842 11.363 -7.769 890 HE21 GLN 108 HE21 GLN 108 0.388 13.189 -8.255 891 HE22 GLN 108 HE22 GLN 108 -0.018 14.063 -9.687 892 HA PRO 109 HA PRO 109 -5.953 8.354 -6.349 893 HB2 PRO 109 HB2 PRO 109 -7.034 9.048 -8.849 894 HB3 PRO 109 HB1 PRO 109 -7.881 9.058 -7.303 895 HG2 PRO 109 HG2 PRO 109 -6.622 11.296 -8.801 896 HG3 PRO 109 HG1 PRO 109 -8.074 11.297 -7.784 897 HD2 PRO 109 HD2 PRO 109 -5.790 12.343 -6.907 898 HD3 PRO 109 HD1 PRO 109 -6.846 11.420 -5.816 899 H LEU 110 HN LEU 110 -4.835 6.673 -7.149 900 HA LEU 110 HA LEU 110 -3.605 6.972 -9.795 901 HB2 LEU 110 HB2 LEU 110 -1.876 7.183 -8.030 902 HB3 LEU 110 HB1 LEU 110 -2.310 5.588 -7.451 903 HG LEU 110 HG LEU 110 -1.634 4.660 -9.674 904 HD11 LEU 110 HD11 LEU 110 -1.882 6.700 -10.994 905 HD12 LEU 110 HD12 LEU 110 -0.260 6.028 -11.144 906 HD13 LEU 110 HD13 LEU 110 -0.538 7.432 -10.115 907 HD21 LEU 110 HD21 LEU 110 0.769 4.823 -9.255 908 HD22 LEU 110 HD22 LEU 110 -0.136 4.565 -7.763 909 HD23 LEU 110 HD23 LEU 110 0.482 6.171 -8.152 910 H ASN 111 HN ASN 111 -5.721 5.320 -7.859 911 HA ASN 111 HA ASN 111 -5.952 3.105 -9.689 912 HB2 ASN 111 HB2 ASN 111 -4.898 2.742 -6.886 913 HB3 ASN 111 HB1 ASN 111 -5.944 1.503 -7.575 914 HD21 ASN 111 HD21 ASN 111 -3.123 1.475 -6.766 915 HD22 ASN 111 HD22 ASN 111 -2.237 0.944 -8.150 916 H LYS 112 HN LYS 112 -7.969 1.824 -8.872 917 HA LYS 112 HA LYS 112 -9.399 3.325 -6.871 918 HB2 LYS 112 HB2 LYS 112 -11.442 3.274 -8.239 919 HB3 LYS 112 HB1 LYS 112 -10.172 4.274 -8.888 920 HG2 LYS 112 HG2 LYS 112 -9.642 2.606 -10.546 921 HG3 LYS 112 HG1 LYS 112 -10.830 1.507 -9.843 922 HD2 LYS 112 HD2 LYS 112 -11.770 2.554 -11.804 923 HD3 LYS 112 HD1 LYS 112 -12.605 3.144 -10.368 924 HE2 LYS 112 HE2 LYS 112 -12.190 4.995 -11.837 925 HE3 LYS 112 HE1 LYS 112 -11.160 5.158 -10.418 926 HZ1 LYS 112 HZ1 LYS 112 -9.896 5.654 -12.369 927 HZ2 LYS 112 HZ2 LYS 112 -10.343 4.198 -13.105 928 HZ3 LYS 112 HZ3 LYS 112 -9.337 4.182 -11.747 929 H TRP 113 HN TRP 113 -10.645 2.177 -5.625 930 HA TRP 113 HA TRP 113 -10.535 -0.650 -5.673 931 HB2 TRP 113 HB2 TRP 113 -12.271 -0.410 -3.842 932 HB3 TRP 113 HB1 TRP 113 -10.667 0.300 -3.508 933 HD1 TRP 113 HD1 TRP 113 -10.568 2.861 -3.076 934 HE1 TRP 113 HE1 TRP 113 -12.302 4.762 -2.977 935 HE3 TRP 113 HE3 TRP 113 -14.633 0.353 -4.901 936 HZ2 TRP 113 HZ2 TRP 113 -15.027 5.140 -3.586 937 HZ3 TRP 113 HZ3 TRP 113 -16.765 1.558 -5.109 938 HH2 TRP 113 HH2 TRP 113 -16.958 3.901 -4.464 939 H ARG 114 HN ARG 114 -12.842 -1.675 -5.213 940 HA ARG 114 HA ARG 114 -14.437 -1.056 -7.601 941 HB2 ARG 114 HB2 ARG 114 -13.489 -3.655 -6.480 942 HB3 ARG 114 HB1 ARG 114 -14.780 -3.575 -7.674 943 HG2 ARG 114 HG2 ARG 114 -11.963 -2.570 -8.072 944 HG3 ARG 114 HG1 ARG 114 -12.588 -4.109 -8.667 945 HD2 ARG 114 HD2 ARG 114 -13.640 -1.385 -9.419 946 HD3 ARG 114 HD1 ARG 114 -12.563 -2.371 -10.405 947 HE ARG 114 HE ARG 114 -14.550 -4.064 -10.124 948 HH11 ARG 114 HH11 ARG 114 -14.716 -0.614 -10.706 949 HH12 ARG 114 HH12 ARG 114 -16.205 -0.706 -11.586 950 HH21 ARG 114 HH21 ARG 114 -16.501 -4.192 -11.292 951 HH22 ARG 114 HH22 ARG 114 -17.231 -2.745 -11.911 952 H SER 115 HN SER 115 -16.542 -2.370 -7.468 953 HA SER 115 HA SER 115 -17.842 -3.151 -5.221 954 HB2 SER 115 HB2 SER 115 -17.375 -1.048 -4.148 955 HB3 SER 115 HB1 SER 115 -18.004 -0.180 -5.526 956 HG SER 115 HG SER 115 -19.701 -0.166 -4.218 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 19.919 6.773 2.244 2 H2 ALA 1 HT2 ALA 1 20.687 8.275 2.169 3 H3 ALA 1 HT3 ALA 1 19.017 8.167 1.933 4 HA ALA 1 HA ALA 1 19.548 9.023 4.129 5 HB1 ALA 1 HB1 ALA 1 17.486 7.742 3.794 6 HB2 ALA 1 HB2 ALA 1 18.148 7.488 5.408 7 HB3 ALA 1 HB3 ALA 1 18.352 6.251 4.168 8 H MET 2 HN MET 2 20.252 8.411 6.325 9 HA MET 2 HA MET 2 22.846 7.156 6.236 10 HB2 MET 2 HB2 MET 2 21.276 8.323 8.543 11 HB3 MET 2 HB1 MET 2 22.931 7.745 8.653 12 HG2 MET 2 HG2 MET 2 21.957 10.030 6.958 13 HG3 MET 2 HG1 MET 2 22.864 10.157 8.464 14 HE1 MET 2 HE1 MET 2 26.329 8.624 7.443 15 HE2 MET 2 HE2 MET 2 24.961 7.713 8.079 16 HE3 MET 2 HE3 MET 2 25.356 9.294 8.753 17 H GLY 3 HN GLY 3 22.456 5.012 5.773 18 HA2 GLY 3 HA2 GLY 3 22.379 2.830 6.758 19 HA3 GLY 3 HA1 GLY 3 21.246 3.451 7.949 20 H CYS 4 HN CYS 4 19.962 1.594 7.385 21 HA CYS 4 HA CYS 4 18.234 2.342 5.181 22 HB2 CYS 4 HB2 CYS 4 19.977 0.171 5.016 23 HB3 CYS 4 HB1 CYS 4 18.397 -0.536 5.337 24 H LYS 5 HN LYS 5 16.674 3.037 6.509 25 HA LYS 5 HA LYS 5 15.498 1.821 8.662 26 HB2 LYS 5 HB2 LYS 5 14.795 3.962 8.170 27 HB3 LYS 5 HB1 LYS 5 14.497 3.522 6.512 28 HG2 LYS 5 HG2 LYS 5 12.516 2.367 7.043 29 HG3 LYS 5 HG1 LYS 5 12.867 2.454 8.769 30 HD2 LYS 5 HD2 LYS 5 12.630 4.916 8.646 31 HD3 LYS 5 HD1 LYS 5 12.178 4.754 6.947 32 HE2 LYS 5 HE2 LYS 5 10.198 4.956 8.357 33 HE3 LYS 5 HE1 LYS 5 10.265 3.372 7.584 34 HZ1 LYS 5 HZ1 LYS 5 11.263 2.528 9.688 35 HZ2 LYS 5 HZ2 LYS 5 9.660 3.047 9.844 36 HZ3 LYS 5 HZ3 LYS 5 10.928 4.026 10.401 37 H GLU 6 HN GLU 6 14.002 0.130 8.959 38 HA GLU 6 HA GLU 6 13.359 -1.506 6.752 39 HB2 GLU 6 HB2 GLU 6 13.499 -2.625 8.795 40 HB3 GLU 6 HB1 GLU 6 12.548 -1.408 9.636 41 HG2 GLU 6 HG2 GLU 6 10.565 -2.182 8.743 42 HG3 GLU 6 HG1 GLU 6 11.380 -3.107 7.487 43 H ILE 7 HN ILE 7 11.967 -0.959 5.245 44 HA ILE 7 HA ILE 7 10.475 1.476 5.523 45 HB ILE 7 HB ILE 7 10.755 -0.441 3.220 46 HG12 ILE 7 HG12 ILE 7 12.806 0.449 3.286 47 HG13 ILE 7 HG11 ILE 7 12.021 1.682 2.345 48 HG21 ILE 7 HG21 ILE 7 8.717 0.823 2.956 49 HG22 ILE 7 HG22 ILE 7 9.958 1.319 1.797 50 HG23 ILE 7 HG23 ILE 7 9.632 2.318 3.209 51 HD11 ILE 7 HD11 ILE 7 12.692 1.758 5.232 52 HD12 ILE 7 HD12 ILE 7 11.627 2.918 4.448 53 HD13 ILE 7 HD13 ILE 7 13.329 2.789 3.940 54 H GLU 8 HN GLU 8 8.160 1.703 5.175 55 HA GLU 8 HA GLU 8 6.757 -0.772 5.894 56 HB2 GLU 8 HB2 GLU 8 5.567 1.072 7.556 57 HB3 GLU 8 HB1 GLU 8 6.700 -0.191 8.014 58 HG2 GLU 8 HG2 GLU 8 8.544 1.347 7.747 59 HG3 GLU 8 HG1 GLU 8 7.418 2.627 7.282 60 H ILE 9 HN ILE 9 4.701 -0.963 5.401 61 HA ILE 9 HA ILE 9 3.832 0.797 3.233 62 HB ILE 9 HB ILE 9 2.154 -1.490 3.458 63 HG12 ILE 9 HG12 ILE 9 4.216 -2.490 4.606 64 HG13 ILE 9 HG11 ILE 9 3.507 -3.356 3.257 65 HG21 ILE 9 HG21 ILE 9 2.567 -0.194 1.461 66 HG22 ILE 9 HG22 ILE 9 2.852 -1.917 1.225 67 HG23 ILE 9 HG23 ILE 9 4.216 -0.824 1.432 68 HD11 ILE 9 HD11 ILE 9 5.866 -3.327 3.045 69 HD12 ILE 9 HD12 ILE 9 5.882 -1.567 3.175 70 HD13 ILE 9 HD13 ILE 9 5.127 -2.340 1.779 71 H VAL 10 HN VAL 10 2.224 2.226 3.623 72 HA VAL 10 HA VAL 10 0.326 1.558 5.768 73 HB VAL 10 HB VAL 10 0.911 3.612 6.486 74 HG11 VAL 10 HG11 VAL 10 1.575 4.381 3.652 75 HG12 VAL 10 HG12 VAL 10 2.710 3.936 4.924 76 HG13 VAL 10 HG13 VAL 10 1.779 5.427 5.057 77 HG21 VAL 10 HG21 VAL 10 -0.579 5.390 5.683 78 HG22 VAL 10 HG22 VAL 10 -1.452 3.865 5.862 79 HG23 VAL 10 HG23 VAL 10 -0.967 4.428 4.259 80 H ILE 11 HN ILE 11 -1.616 0.996 5.293 81 HA ILE 11 HA ILE 11 -2.776 1.784 2.719 82 HB ILE 11 HB ILE 11 -3.188 -0.671 4.383 83 HG12 ILE 11 HG12 ILE 11 -1.381 -0.985 2.960 84 HG13 ILE 11 HG11 ILE 11 -2.734 -1.750 2.127 85 HG21 ILE 11 HG21 ILE 11 -5.390 -0.210 3.851 86 HG22 ILE 11 HG22 ILE 11 -4.875 -1.324 2.573 87 HG23 ILE 11 HG23 ILE 11 -4.970 0.410 2.250 88 HD11 ILE 11 HD11 ILE 11 -1.510 0.910 1.580 89 HD12 ILE 11 HD12 ILE 11 -3.012 0.349 0.852 90 HD13 ILE 11 HD13 ILE 11 -1.506 -0.517 0.543 91 H LYS 12 HN LYS 12 -4.276 3.228 2.868 92 HA LYS 12 HA LYS 12 -5.800 3.525 5.363 93 HB2 LYS 12 HB2 LYS 12 -4.180 5.342 4.148 94 HB3 LYS 12 HB1 LYS 12 -5.722 5.706 3.356 95 HG2 LYS 12 HG2 LYS 12 -6.773 6.223 5.395 96 HG3 LYS 12 HG1 LYS 12 -5.437 5.541 6.318 97 HD2 LYS 12 HD2 LYS 12 -5.338 7.974 6.360 98 HD3 LYS 12 HD1 LYS 12 -3.958 7.313 5.485 99 HE2 LYS 12 HE2 LYS 12 -5.253 7.717 3.362 100 HE3 LYS 12 HE1 LYS 12 -6.426 8.601 4.337 101 HZ1 LYS 12 HZ1 LYS 12 -4.582 10.053 5.060 102 HZ2 LYS 12 HZ2 LYS 12 -4.879 10.139 3.399 103 HZ3 LYS 12 HZ3 LYS 12 -3.555 9.255 3.973 104 H ASN 13 HN ASN 13 -8.075 3.981 5.102 105 HA ASN 13 HA ASN 13 -9.215 3.963 2.435 106 HB2 ASN 13 HB2 ASN 13 -9.155 1.566 2.995 107 HB3 ASN 13 HB1 ASN 13 -10.015 1.894 4.497 108 HD21 ASN 13 HD21 ASN 13 -11.689 0.543 3.901 109 HD22 ASN 13 HD22 ASN 13 -12.849 0.981 2.698 110 H THR 14 HN THR 14 -10.323 5.802 2.555 111 HA THR 14 HA THR 14 -11.945 6.293 4.881 112 HB THR 14 HB THR 14 -10.334 7.404 5.912 113 HG1 THR 14 HG1 THR 14 -10.376 9.571 5.534 114 HG21 THR 14 HG21 THR 14 -8.651 6.567 4.481 115 HG22 THR 14 HG22 THR 14 -8.338 8.280 4.763 116 HG23 THR 14 HG23 THR 14 -9.045 7.743 3.237 117 H LEU 15 HN LEU 15 -13.588 6.039 3.300 118 HA LEU 15 HA LEU 15 -14.125 8.322 1.660 119 HB2 LEU 15 HB2 LEU 15 -15.925 6.036 2.477 120 HB3 LEU 15 HB1 LEU 15 -16.269 7.227 1.272 121 HG LEU 15 HG LEU 15 -14.727 6.347 -0.252 122 HD11 LEU 15 HD11 LEU 15 -13.685 4.511 1.859 123 HD12 LEU 15 HD12 LEU 15 -12.942 6.033 1.295 124 HD13 LEU 15 HD13 LEU 15 -13.138 4.679 0.165 125 HD21 LEU 15 HD21 LEU 15 -16.782 5.100 -0.161 126 HD22 LEU 15 HD22 LEU 15 -16.162 4.111 1.159 127 HD23 LEU 15 HD23 LEU 15 -15.444 3.987 -0.446 128 H GLY 16 HN GLY 16 -14.819 6.919 4.688 129 HA2 GLY 16 HA2 GLY 16 -15.203 9.058 6.251 130 HA3 GLY 16 HA1 GLY 16 -16.819 8.777 5.579 131 HA PRO 17 HA PRO 17 -16.164 6.458 9.650 132 HB2 PRO 17 HB2 PRO 17 -19.137 6.644 9.347 133 HB3 PRO 17 HB1 PRO 17 -18.146 6.785 10.803 134 HG2 PRO 17 HG2 PRO 17 -19.110 8.960 9.633 135 HG3 PRO 17 HG1 PRO 17 -17.462 8.945 10.287 136 HD2 PRO 17 HD2 PRO 17 -18.379 8.833 7.456 137 HD3 PRO 17 HD1 PRO 17 -16.913 9.560 8.141 138 H SER 18 HN SER 18 -15.795 4.367 9.599 139 HA SER 18 HA SER 18 -15.925 2.141 9.226 140 HB2 SER 18 HB2 SER 18 -18.799 2.723 8.469 141 HB3 SER 18 HB1 SER 18 -18.127 1.127 8.807 142 HG SER 18 HG SER 18 -17.521 2.765 10.831 143 H ARG 19 HN ARG 19 -14.503 3.050 7.362 144 HA ARG 19 HA ARG 19 -15.511 1.762 4.912 145 HB2 ARG 19 HB2 ARG 19 -13.865 4.204 5.259 146 HB3 ARG 19 HB1 ARG 19 -13.299 3.088 4.030 147 HG2 ARG 19 HG2 ARG 19 -14.748 4.893 3.198 148 HG3 ARG 19 HG1 ARG 19 -15.356 3.266 2.850 149 HD2 ARG 19 HD2 ARG 19 -16.842 3.435 4.822 150 HD3 ARG 19 HD1 ARG 19 -16.264 5.081 5.076 151 HE ARG 19 HE ARG 19 -17.298 4.763 2.451 152 HH11 ARG 19 HH11 ARG 19 -18.315 5.089 5.786 153 HH12 ARG 19 HH12 ARG 19 -19.851 5.785 5.378 154 HH21 ARG 19 HH21 ARG 19 -19.319 5.679 1.912 155 HH22 ARG 19 HH22 ARG 19 -20.428 6.108 3.177 156 H ILE 20 HN ILE 20 -14.718 -0.235 4.776 157 HA ILE 20 HA ILE 20 -12.072 -0.738 5.973 158 HB ILE 20 HB ILE 20 -14.193 -2.838 5.985 159 HG12 ILE 20 HG12 ILE 20 -15.115 -0.842 7.077 160 HG13 ILE 20 HG11 ILE 20 -14.947 -2.202 8.160 161 HG21 ILE 20 HG21 ILE 20 -12.949 -3.704 7.818 162 HG22 ILE 20 HG22 ILE 20 -11.931 -2.272 7.829 163 HG23 ILE 20 HG23 ILE 20 -11.849 -3.395 6.470 164 HD11 ILE 20 HD11 ILE 20 -14.285 -0.169 9.243 165 HD12 ILE 20 HD12 ILE 20 -13.155 0.179 7.938 166 HD13 ILE 20 HD13 ILE 20 -12.881 -1.207 8.987 167 H LEU 21 HN LEU 21 -10.681 -1.336 4.458 168 HA LEU 21 HA LEU 21 -11.566 -3.310 2.452 169 HB2 LEU 21 HB2 LEU 21 -9.952 -0.855 2.111 170 HB3 LEU 21 HB1 LEU 21 -9.272 -2.299 1.347 171 HG LEU 21 HG LEU 21 -10.618 -0.959 -0.210 172 HD11 LEU 21 HD11 LEU 21 -11.980 -2.788 -1.084 173 HD12 LEU 21 HD12 LEU 21 -11.802 -3.646 0.444 174 HD13 LEU 21 HD13 LEU 21 -10.392 -3.349 -0.565 175 HD21 LEU 21 HD21 LEU 21 -12.255 -0.031 1.311 176 HD22 LEU 21 HD22 LEU 21 -12.917 -1.637 1.616 177 HD23 LEU 21 HD23 LEU 21 -13.061 -0.912 0.014 178 H GLN 22 HN GLN 22 -10.335 -5.161 2.304 179 HA GLN 22 HA GLN 22 -8.230 -5.390 4.307 180 HB2 GLN 22 HB2 GLN 22 -10.023 -6.999 4.549 181 HB3 GLN 22 HB1 GLN 22 -9.852 -7.492 2.869 182 HG2 GLN 22 HG2 GLN 22 -7.642 -8.321 3.322 183 HG3 GLN 22 HG1 GLN 22 -7.762 -7.813 5.002 184 HE21 GLN 22 HE21 GLN 22 -8.791 -10.107 2.622 185 HE22 GLN 22 HE22 GLN 22 -9.506 -11.234 3.719 186 H TYR 23 HN TYR 23 -6.286 -5.072 3.552 187 HA TYR 23 HA TYR 23 -5.748 -5.558 0.715 188 HB2 TYR 23 HB2 TYR 23 -3.939 -3.987 0.907 189 HB3 TYR 23 HB1 TYR 23 -5.375 -3.244 1.608 190 HD1 TYR 23 HD1 TYR 23 -5.643 -3.428 4.158 191 HD2 TYR 23 HD2 TYR 23 -2.009 -4.190 2.124 192 HE1 TYR 23 HE1 TYR 23 -4.420 -3.150 6.276 193 HE2 TYR 23 HE2 TYR 23 -0.762 -3.908 4.227 194 HH TYR 23 HH TYR 23 -2.245 -3.886 7.251 195 H HIS 24 HN HIS 24 -3.905 -6.688 0.096 196 HA HIS 24 HA HIS 24 -2.311 -7.847 2.281 197 HB2 HIS 24 HB2 HIS 24 -3.387 -9.600 0.947 198 HB3 HIS 24 HB1 HIS 24 -2.719 -8.906 -0.529 199 HD1 HIS 24 HD1 HIS 24 -0.385 -8.895 2.300 200 HD2 HIS 24 HD2 HIS 24 -1.401 -11.474 -0.811 201 HE1 HIS 24 HE1 HIS 24 1.455 -10.601 2.197 202 HE2 HIS 24 HE2 HIS 24 0.726 -12.250 0.443 203 H CYS 25 HN CYS 25 -0.778 -6.256 2.493 204 HA CYS 25 HA CYS 25 0.680 -5.538 0.070 205 HB2 CYS 25 HB2 CYS 25 0.586 -4.241 2.787 206 HB3 CYS 25 HB1 CYS 25 1.792 -3.811 1.585 207 H ARG 26 HN ARG 26 2.850 -5.836 -0.150 208 HA ARG 26 HA ARG 26 4.422 -6.607 2.178 209 HB2 ARG 26 HB2 ARG 26 5.465 -8.371 0.421 210 HB3 ARG 26 HB1 ARG 26 4.187 -8.798 1.551 211 HG2 ARG 26 HG2 ARG 26 2.510 -8.538 -0.127 212 HG3 ARG 26 HG1 ARG 26 3.672 -7.853 -1.259 213 HD2 ARG 26 HD2 ARG 26 4.896 -10.033 -1.188 214 HD3 ARG 26 HD1 ARG 26 3.560 -10.682 -0.234 215 HE ARG 26 HE ARG 26 2.349 -9.633 -2.436 216 HH11 ARG 26 HH11 ARG 26 4.962 -11.920 -1.967 217 HH12 ARG 26 HH12 ARG 26 4.590 -12.824 -3.404 218 HH21 ARG 26 HH21 ARG 26 1.866 -10.820 -4.336 219 HH22 ARG 26 HH22 ARG 26 2.827 -12.208 -4.739 220 H SER 27 HN SER 27 6.689 -5.990 1.856 221 HA SER 27 HA SER 27 7.451 -5.034 -0.766 222 HB2 SER 27 HB2 SER 27 7.338 -3.155 1.588 223 HB3 SER 27 HB1 SER 27 8.237 -2.824 0.107 224 HG SER 27 HG SER 27 5.658 -3.630 -0.346 225 H GLY 28 HN GLY 28 9.738 -4.231 -0.785 226 HA2 GLY 28 HA2 GLY 28 11.948 -4.418 -0.313 227 HA3 GLY 28 HA1 GLY 28 11.514 -4.912 1.316 228 H ASN 29 HN ASN 29 10.529 -7.237 1.314 229 HA ASN 29 HA ASN 29 11.770 -9.137 -0.406 230 HB2 ASN 29 HB2 ASN 29 13.677 -9.798 0.759 231 HB3 ASN 29 HB1 ASN 29 13.724 -8.047 0.936 232 HD21 ASN 29 HD21 ASN 29 13.246 -7.125 2.966 233 HD22 ASN 29 HD22 ASN 29 13.260 -8.074 4.413 234 H THR 30 HN THR 30 10.147 -8.344 2.554 235 HA THR 30 HA THR 30 9.862 -11.098 3.400 236 HB THR 30 HB THR 30 8.599 -8.636 4.579 237 HG1 THR 30 HG1 THR 30 11.148 -9.777 5.154 238 HG21 THR 30 HG21 THR 30 7.765 -10.831 5.386 239 HG22 THR 30 HG22 THR 30 8.536 -9.856 6.639 240 HG23 THR 30 HG23 THR 30 9.405 -11.215 5.913 241 H ASN 31 HN ASN 31 7.756 -12.133 3.667 242 HA ASN 31 HA ASN 31 5.615 -10.916 2.047 243 HB2 ASN 31 HB2 ASN 31 6.598 -13.772 1.916 244 HB3 ASN 31 HB1 ASN 31 5.065 -13.243 1.232 245 HD21 ASN 31 HD21 ASN 31 8.498 -13.235 0.906 246 HD22 ASN 31 HD22 ASN 31 8.556 -12.528 -0.669 247 H VAL 32 HN VAL 32 4.497 -10.293 3.930 248 HA VAL 32 HA VAL 32 2.709 -12.138 4.914 249 HB VAL 32 HB VAL 32 4.232 -13.109 6.300 250 HG11 VAL 32 HG11 VAL 32 5.734 -11.250 5.811 251 HG12 VAL 32 HG12 VAL 32 5.898 -11.955 7.422 252 HG13 VAL 32 HG13 VAL 32 5.059 -10.415 7.195 253 HG21 VAL 32 HG21 VAL 32 2.164 -12.547 7.498 254 HG22 VAL 32 HG22 VAL 32 2.854 -10.990 7.959 255 HG23 VAL 32 HG23 VAL 32 3.558 -12.485 8.576 256 H GLY 33 HN GLY 33 0.967 -10.824 4.782 257 HA2 GLY 33 HA2 GLY 33 0.368 -8.995 6.747 258 HA3 GLY 33 HA1 GLY 33 1.145 -8.052 5.487 259 H VAL 34 HN VAL 34 -1.650 -10.014 6.296 260 HA VAL 34 HA VAL 34 -3.091 -8.582 4.158 261 HB VAL 34 HB VAL 34 -3.898 -11.306 5.171 262 HG11 VAL 34 HG11 VAL 34 -5.687 -9.964 4.220 263 HG12 VAL 34 HG12 VAL 34 -5.295 -11.308 3.144 264 HG13 VAL 34 HG13 VAL 34 -4.731 -9.678 2.767 265 HG21 VAL 34 HG21 VAL 34 -2.260 -10.600 2.742 266 HG22 VAL 34 HG22 VAL 34 -3.028 -12.168 2.999 267 HG23 VAL 34 HG23 VAL 34 -1.770 -11.609 4.103 268 H GLN 35 HN GLN 35 -4.162 -7.010 5.300 269 HA GLN 35 HA GLN 35 -5.802 -7.851 7.575 270 HB2 GLN 35 HB2 GLN 35 -3.683 -5.730 7.605 271 HB3 GLN 35 HB1 GLN 35 -5.073 -5.624 8.679 272 HG2 GLN 35 HG2 GLN 35 -4.524 -7.813 9.585 273 HG3 GLN 35 HG1 GLN 35 -3.101 -7.890 8.546 274 HE21 GLN 35 HE21 GLN 35 -1.641 -7.981 10.231 275 HE22 GLN 35 HE22 GLN 35 -1.323 -6.631 11.270 276 H TYR 36 HN TYR 36 -7.270 -6.090 8.301 277 HA TYR 36 HA TYR 36 -8.175 -4.488 6.021 278 HB2 TYR 36 HB2 TYR 36 -10.416 -4.526 6.952 279 HB3 TYR 36 HB1 TYR 36 -9.830 -6.142 6.581 280 HD1 TYR 36 HD1 TYR 36 -8.881 -7.482 8.429 281 HD2 TYR 36 HD2 TYR 36 -11.130 -3.983 9.067 282 HE1 TYR 36 HE1 TYR 36 -9.358 -8.240 10.736 283 HE2 TYR 36 HE2 TYR 36 -11.638 -4.680 11.366 284 HH TYR 36 HH TYR 36 -11.728 -6.722 12.696 285 H LEU 37 HN LEU 37 -8.986 -2.336 6.482 286 HA LEU 37 HA LEU 37 -8.193 -1.310 9.090 287 HB2 LEU 37 HB2 LEU 37 -6.680 0.284 8.291 288 HB3 LEU 37 HB1 LEU 37 -6.271 -1.189 7.448 289 HG LEU 37 HG LEU 37 -6.015 0.495 5.873 290 HD11 LEU 37 HD11 LEU 37 -7.205 -1.372 4.929 291 HD12 LEU 37 HD12 LEU 37 -7.733 0.136 4.181 292 HD13 LEU 37 HD13 LEU 37 -8.748 -0.653 5.388 293 HD21 LEU 37 HD21 LEU 37 -7.068 2.302 7.045 294 HD22 LEU 37 HD22 LEU 37 -8.663 1.616 6.736 295 HD23 LEU 37 HD23 LEU 37 -7.685 2.216 5.396 296 H ASN 38 HN ASN 38 -9.053 0.793 9.597 297 HA ASN 38 HA ASN 38 -11.636 1.174 8.266 298 HB2 ASN 38 HB2 ASN 38 -11.309 0.672 10.815 299 HB3 ASN 38 HB1 ASN 38 -10.975 2.382 10.920 300 HD21 ASN 38 HD21 ASN 38 -13.123 0.779 12.056 301 HD22 ASN 38 HD22 ASN 38 -14.600 1.482 11.496 302 H PHE 39 HN PHE 39 -12.454 3.481 8.836 303 HA PHE 39 HA PHE 39 -11.153 5.231 7.063 304 HB2 PHE 39 HB2 PHE 39 -13.407 5.583 7.106 305 HB3 PHE 39 HB1 PHE 39 -13.499 5.355 8.840 306 HD1 PHE 39 HD1 PHE 39 -12.451 7.771 6.228 307 HD2 PHE 39 HD2 PHE 39 -13.605 7.184 10.281 308 HE1 PHE 39 HE1 PHE 39 -12.596 10.207 6.538 309 HE2 PHE 39 HE2 PHE 39 -13.751 9.617 10.596 310 HZ PHE 39 HZ PHE 39 -13.245 11.133 8.723 311 H LYS 40 HN LYS 40 -10.902 4.846 10.411 312 HA LYS 40 HA LYS 40 -9.900 7.538 10.842 313 HB2 LYS 40 HB2 LYS 40 -11.543 6.565 12.408 314 HB3 LYS 40 HB1 LYS 40 -10.363 5.339 12.839 315 HG2 LYS 40 HG2 LYS 40 -8.873 7.059 13.714 316 HG3 LYS 40 HG1 LYS 40 -10.041 8.301 13.264 317 HD2 LYS 40 HD2 LYS 40 -10.223 7.803 15.630 318 HD3 LYS 40 HD1 LYS 40 -11.683 7.282 14.787 319 HE2 LYS 40 HE2 LYS 40 -10.919 4.989 14.805 320 HE3 LYS 40 HE1 LYS 40 -9.385 5.475 15.527 321 HZ1 LYS 40 HZ1 LYS 40 -12.057 5.748 16.795 322 HZ2 LYS 40 HZ2 LYS 40 -10.584 6.207 17.489 323 HZ3 LYS 40 HZ3 LYS 40 -10.897 4.576 17.176 324 H GLY 41 HN GLY 41 -8.601 4.396 10.333 325 HA2 GLY 41 HA2 GLY 41 -6.024 5.329 11.371 326 HA3 GLY 41 HA1 GLY 41 -6.656 3.775 11.888 327 H THR 42 HN THR 42 -4.331 4.842 10.216 328 HA THR 42 HA THR 42 -4.515 3.439 7.710 329 HB THR 42 HB THR 42 -1.936 3.703 7.898 330 HG1 THR 42 HG1 THR 42 -1.547 5.605 9.366 331 HG21 THR 42 HG21 THR 42 -2.103 6.072 7.237 332 HG22 THR 42 HG22 THR 42 -3.779 6.087 7.790 333 HG23 THR 42 HG23 THR 42 -3.302 5.055 6.438 334 H ARG 43 HN ARG 43 -2.984 1.628 7.245 335 HA ARG 43 HA ARG 43 -2.616 -0.139 9.554 336 HB2 ARG 43 HB2 ARG 43 -4.626 -0.544 7.849 337 HB3 ARG 43 HB1 ARG 43 -3.349 -1.349 6.960 338 HG2 ARG 43 HG2 ARG 43 -4.488 -2.975 8.302 339 HG3 ARG 43 HG1 ARG 43 -2.878 -2.719 8.981 340 HD2 ARG 43 HD2 ARG 43 -3.861 -1.153 10.620 341 HD3 ARG 43 HD1 ARG 43 -5.457 -1.509 9.968 342 HE ARG 43 HE ARG 43 -4.046 -3.858 10.822 343 HH11 ARG 43 HH11 ARG 43 -6.055 -1.192 11.860 344 HH12 ARG 43 HH12 ARG 43 -6.638 -2.006 13.275 345 HH21 ARG 43 HH21 ARG 43 -4.810 -4.946 12.685 346 HH22 ARG 43 HH22 ARG 43 -5.920 -4.145 13.751 347 H ILE 44 HN ILE 44 -0.520 -0.610 9.718 348 HA ILE 44 HA ILE 44 1.045 -0.240 7.270 349 HB ILE 44 HB ILE 44 1.873 0.598 10.050 350 HG12 ILE 44 HG12 ILE 44 1.910 2.850 8.679 351 HG13 ILE 44 HG11 ILE 44 0.732 2.013 7.685 352 HG21 ILE 44 HG21 ILE 44 3.694 -0.203 8.501 353 HG22 ILE 44 HG22 ILE 44 3.850 1.471 9.045 354 HG23 ILE 44 HG23 ILE 44 3.238 1.125 7.427 355 HD11 ILE 44 HD11 ILE 44 -0.358 3.412 9.337 356 HD12 ILE 44 HD12 ILE 44 0.485 2.562 10.633 357 HD13 ILE 44 HD13 ILE 44 -0.698 1.708 9.640 358 H ILE 45 HN ILE 45 2.280 -1.722 6.661 359 HA ILE 45 HA ILE 45 3.171 -3.875 8.428 360 HB ILE 45 HB ILE 45 3.166 -3.562 5.510 361 HG12 ILE 45 HG12 ILE 45 2.035 -5.829 6.869 362 HG13 ILE 45 HG11 ILE 45 1.156 -4.304 6.927 363 HG21 ILE 45 HG21 ILE 45 5.231 -4.637 5.969 364 HG22 ILE 45 HG22 ILE 45 4.094 -5.823 5.326 365 HG23 ILE 45 HG23 ILE 45 4.427 -5.769 7.058 366 HD11 ILE 45 HD11 ILE 45 1.841 -6.021 4.623 367 HD12 ILE 45 HD12 ILE 45 1.719 -4.273 4.404 368 HD13 ILE 45 HD13 ILE 45 0.326 -5.199 5.008 369 H LYS 46 HN LYS 46 5.513 -4.346 8.472 370 HA LYS 46 HA LYS 46 7.058 -2.242 7.173 371 HB2 LYS 46 HB2 LYS 46 8.592 -2.659 9.422 372 HB3 LYS 46 HB1 LYS 46 7.513 -1.303 9.177 373 HG2 LYS 46 HG2 LYS 46 7.071 -2.163 11.333 374 HG3 LYS 46 HG1 LYS 46 5.718 -2.638 10.308 375 HD2 LYS 46 HD2 LYS 46 6.325 -4.496 11.702 376 HD3 LYS 46 HD1 LYS 46 6.777 -4.868 10.039 377 HE2 LYS 46 HE2 LYS 46 9.090 -4.281 10.520 378 HE3 LYS 46 HE1 LYS 46 8.650 -3.845 12.170 379 HZ1 LYS 46 HZ1 LYS 46 8.314 -6.557 11.013 380 HZ2 LYS 46 HZ2 LYS 46 8.081 -6.107 12.626 381 HZ3 LYS 46 HZ3 LYS 46 9.633 -6.082 11.957 382 H PHE 47 HN PHE 47 8.562 -2.965 5.920 383 HA PHE 47 HA PHE 47 9.956 -5.505 6.522 384 HB2 PHE 47 HB2 PHE 47 8.715 -4.864 3.824 385 HB3 PHE 47 HB1 PHE 47 9.882 -6.144 4.081 386 HD1 PHE 47 HD1 PHE 47 8.140 -6.379 6.944 387 HD2 PHE 47 HD2 PHE 47 7.466 -6.902 2.770 388 HE1 PHE 47 HE1 PHE 47 6.366 -8.008 7.419 389 HE2 PHE 47 HE2 PHE 47 5.682 -8.502 3.250 390 HZ PHE 47 HZ PHE 47 4.999 -8.956 5.427 391 H LYS 48 HN LYS 48 12.123 -5.191 6.333 392 HA LYS 48 HA LYS 48 13.107 -2.685 5.456 393 HB2 LYS 48 HB2 LYS 48 15.355 -3.645 5.808 394 HB3 LYS 48 HB1 LYS 48 14.290 -3.867 7.187 395 HG2 LYS 48 HG2 LYS 48 13.867 -6.186 6.404 396 HG3 LYS 48 HG1 LYS 48 15.076 -5.936 5.150 397 HD2 LYS 48 HD2 LYS 48 15.572 -5.700 8.115 398 HD3 LYS 48 HD1 LYS 48 15.979 -7.102 7.128 399 HE2 LYS 48 HE2 LYS 48 17.064 -4.316 6.717 400 HE3 LYS 48 HE1 LYS 48 17.911 -5.619 7.547 401 HZ1 LYS 48 HZ1 LYS 48 17.888 -6.898 5.512 402 HZ2 LYS 48 HZ2 LYS 48 18.615 -5.397 5.243 403 HZ3 LYS 48 HZ3 LYS 48 17.039 -5.678 4.712 404 H ASP 49 HN ASP 49 13.878 -2.008 3.578 405 HA ASP 49 HA ASP 49 13.163 -3.538 1.257 406 HB2 ASP 49 HB2 ASP 49 13.030 -0.940 1.723 407 HB3 ASP 49 HB1 ASP 49 14.672 -0.958 1.090 408 H ASP 50 HN ASP 50 14.889 -3.101 -0.670 409 HA ASP 50 HA ASP 50 16.743 -3.943 -1.658 410 HB2 ASP 50 HB2 ASP 50 17.894 -2.244 -0.255 411 HB3 ASP 50 HB1 ASP 50 18.088 -3.466 0.986 412 H GLY 51 HN GLY 51 16.013 -5.929 -2.018 413 HA2 GLY 51 HA2 GLY 51 17.281 -8.062 -0.602 414 HA3 GLY 51 HA1 GLY 51 15.554 -7.995 -0.288 415 H THR 52 HN THR 52 14.889 -7.020 -2.943 416 HA THR 52 HA THR 52 15.529 -9.409 -4.539 417 HB THR 52 HB THR 52 13.277 -9.249 -5.513 418 HG1 THR 52 HG1 THR 52 12.400 -7.847 -3.248 419 HG21 THR 52 HG21 THR 52 13.785 -10.933 -3.837 420 HG22 THR 52 HG22 THR 52 12.132 -10.351 -3.638 421 HG23 THR 52 HG23 THR 52 13.401 -9.787 -2.553 422 H GLU 53 HN GLU 53 14.658 -8.900 -6.959 423 HA GLU 53 HA GLU 53 16.378 -6.915 -7.926 424 HB2 GLU 53 HB2 GLU 53 15.788 -8.932 -9.164 425 HB3 GLU 53 HB1 GLU 53 14.117 -8.400 -9.258 426 HG2 GLU 53 HG2 GLU 53 15.240 -8.000 -11.327 427 HG3 GLU 53 HG1 GLU 53 14.803 -6.481 -10.555 428 H ARG 54 HN ARG 54 12.800 -7.092 -7.951 429 HA ARG 54 HA ARG 54 12.553 -4.309 -8.592 430 HB2 ARG 54 HB2 ARG 54 10.160 -4.612 -8.218 431 HB3 ARG 54 HB1 ARG 54 10.795 -5.917 -9.206 432 HG2 ARG 54 HG2 ARG 54 10.789 -7.407 -7.302 433 HG3 ARG 54 HG1 ARG 54 10.247 -6.099 -6.253 434 HD2 ARG 54 HD2 ARG 54 8.347 -7.436 -6.805 435 HD3 ARG 54 HD1 ARG 54 8.204 -5.905 -7.666 436 HE ARG 54 HE ARG 54 9.463 -7.847 -9.297 437 HH11 ARG 54 HH11 ARG 54 6.338 -6.891 -8.045 438 HH12 ARG 54 HH12 ARG 54 5.450 -7.662 -9.319 439 HH21 ARG 54 HH21 ARG 54 8.295 -8.865 -10.976 440 HH22 ARG 54 HH22 ARG 54 6.564 -8.787 -10.984 441 H SER 55 HN SER 55 12.795 -6.207 -5.745 442 HA SER 55 HA SER 55 13.581 -5.679 -3.706 443 HB2 SER 55 HB2 SER 55 14.763 -3.786 -4.996 444 HB3 SER 55 HB1 SER 55 13.462 -2.752 -4.398 445 HG SER 55 HG SER 55 14.274 -2.823 -2.443 446 H ARG 56 HN ARG 56 10.758 -5.770 -4.523 447 HA ARG 56 HA ARG 56 9.547 -4.960 -2.152 448 HB2 ARG 56 HB2 ARG 56 8.864 -2.907 -2.680 449 HB3 ARG 56 HB1 ARG 56 10.131 -2.958 -3.881 450 HG2 ARG 56 HG2 ARG 56 7.353 -3.832 -4.567 451 HG3 ARG 56 HG1 ARG 56 7.791 -2.124 -4.570 452 HD2 ARG 56 HD2 ARG 56 9.656 -2.661 -6.109 453 HD3 ARG 56 HD1 ARG 56 9.078 -4.324 -6.171 454 HE ARG 56 HE ARG 56 6.884 -3.023 -6.919 455 HH11 ARG 56 HH11 ARG 56 10.224 -2.529 -7.875 456 HH12 ARG 56 HH12 ARG 56 9.828 -2.008 -9.478 457 HH21 ARG 56 HH21 ARG 56 6.355 -2.321 -9.034 458 HH22 ARG 56 HH22 ARG 56 7.625 -1.885 -10.137 459 H TRP 57 HN TRP 57 6.997 -4.743 -2.750 460 HA TRP 57 HA TRP 57 6.205 -6.912 -4.516 461 HB2 TRP 57 HB2 TRP 57 5.215 -6.737 -1.697 462 HB3 TRP 57 HB1 TRP 57 5.015 -8.060 -2.845 463 HD1 TRP 57 HD1 TRP 57 7.041 -7.017 -0.005 464 HE1 TRP 57 HE1 TRP 57 9.035 -8.523 0.382 465 HE3 TRP 57 HE3 TRP 57 6.904 -9.517 -4.443 466 HZ2 TRP 57 HZ2 TRP 57 10.419 -10.578 -1.069 467 HZ3 TRP 57 HZ3 TRP 57 8.601 -11.245 -4.871 468 HH2 TRP 57 HH2 TRP 57 10.322 -11.763 -3.218 469 H ASN 58 HN ASN 58 3.621 -7.076 -4.005 470 HA ASN 58 HA ASN 58 2.657 -4.357 -4.532 471 HB2 ASN 58 HB2 ASN 58 0.864 -5.428 -5.899 472 HB3 ASN 58 HB1 ASN 58 2.483 -5.641 -6.550 473 HD21 ASN 58 HD21 ASN 58 1.827 -7.404 -7.746 474 HD22 ASN 58 HD22 ASN 58 1.497 -8.945 -7.028 475 H CYS 59 HN CYS 59 0.207 -4.186 -4.157 476 HA CYS 59 HA CYS 59 -0.546 -5.664 -1.720 477 HB2 CYS 59 HB2 CYS 59 -1.499 -2.906 -2.531 478 HB3 CYS 59 HB1 CYS 59 -1.939 -3.780 -1.060 479 H LEU 60 HN LEU 60 -2.763 -6.236 -1.520 480 HA LEU 60 HA LEU 60 -4.321 -6.119 -3.992 481 HB2 LEU 60 HB2 LEU 60 -4.059 -8.550 -2.216 482 HB3 LEU 60 HB1 LEU 60 -5.006 -8.416 -3.677 483 HG LEU 60 HG LEU 60 -1.997 -8.262 -3.601 484 HD11 LEU 60 HD11 LEU 60 -2.044 -10.519 -4.536 485 HD12 LEU 60 HD12 LEU 60 -3.798 -10.559 -4.361 486 HD13 LEU 60 HD13 LEU 60 -2.769 -10.475 -2.930 487 HD21 LEU 60 HD21 LEU 60 -2.985 -7.095 -5.495 488 HD22 LEU 60 HD22 LEU 60 -3.940 -8.524 -5.893 489 HD23 LEU 60 HD23 LEU 60 -2.183 -8.574 -6.023 490 H PHE 61 HN PHE 61 -6.170 -5.111 -3.505 491 HA PHE 61 HA PHE 61 -7.050 -5.109 -0.711 492 HB2 PHE 61 HB2 PHE 61 -7.829 -3.414 -3.091 493 HB3 PHE 61 HB1 PHE 61 -8.755 -3.415 -1.609 494 HD1 PHE 61 HD1 PHE 61 -5.054 -3.543 -1.640 495 HD2 PHE 61 HD2 PHE 61 -8.537 -1.172 -1.214 496 HE1 PHE 61 HE1 PHE 61 -3.694 -1.693 -0.866 497 HE2 PHE 61 HE2 PHE 61 -7.200 0.701 -0.504 498 HZ PHE 61 HZ PHE 61 -4.745 0.466 -0.280 499 H ARG 62 HN ARG 62 -8.756 -6.310 -0.102 500 HA ARG 62 HA ARG 62 -10.669 -7.147 -2.174 501 HB2 ARG 62 HB2 ARG 62 -9.214 -9.049 -1.869 502 HB3 ARG 62 HB1 ARG 62 -9.336 -8.928 -0.118 503 HG2 ARG 62 HG2 ARG 62 -11.689 -9.518 -0.222 504 HG3 ARG 62 HG1 ARG 62 -11.604 -9.594 -1.979 505 HD2 ARG 62 HD2 ARG 62 -10.055 -11.444 -1.860 506 HD3 ARG 62 HD1 ARG 62 -10.012 -11.328 -0.100 507 HE ARG 62 HE ARG 62 -12.669 -11.667 -0.826 508 HH11 ARG 62 HH11 ARG 62 -9.680 -13.473 -1.013 509 HH12 ARG 62 HH12 ARG 62 -10.462 -15.023 -0.953 510 HH21 ARG 62 HH21 ARG 62 -13.708 -13.700 -0.748 511 HH22 ARG 62 HH22 ARG 62 -12.752 -15.149 -0.787 512 H GLN 63 HN GLN 63 -12.760 -7.160 -1.536 513 HA GLN 63 HA GLN 63 -13.443 -7.379 1.270 514 HB2 GLN 63 HB2 GLN 63 -13.149 -4.911 0.796 515 HB3 GLN 63 HB1 GLN 63 -14.491 -5.033 -0.329 516 HG2 GLN 63 HG2 GLN 63 -15.160 -4.142 1.857 517 HG3 GLN 63 HG1 GLN 63 -15.989 -5.644 1.458 518 HE21 GLN 63 HE21 GLN 63 -12.666 -5.570 2.525 519 HE22 GLN 63 HE22 GLN 63 -12.943 -6.291 4.072 520 H GLY 64 HN GLY 64 -13.652 -8.981 -1.099 521 HA2 GLY 64 HA2 GLY 64 -16.483 -9.530 -1.014 522 HA3 GLY 64 HA1 GLY 64 -15.894 -8.990 -2.575 523 H ILE 65 HN ILE 65 -14.698 -10.392 -3.852 524 HA ILE 65 HA ILE 65 -14.169 -13.040 -2.915 525 HB ILE 65 HB ILE 65 -16.449 -13.336 -3.019 526 HG12 ILE 65 HG12 ILE 65 -16.865 -14.820 -4.976 527 HG13 ILE 65 HG11 ILE 65 -15.366 -14.246 -5.697 528 HG21 ILE 65 HG21 ILE 65 -16.619 -12.106 -5.729 529 HG22 ILE 65 HG22 ILE 65 -16.689 -11.149 -4.252 530 HG23 ILE 65 HG23 ILE 65 -17.911 -12.394 -4.560 531 HD11 ILE 65 HD11 ILE 65 -15.609 -15.755 -3.106 532 HD12 ILE 65 HD12 ILE 65 -14.107 -15.186 -3.833 533 HD13 ILE 65 HD13 ILE 65 -15.072 -16.414 -4.651 534 H ASN 66 HN ASN 66 -15.017 -11.459 -5.978 535 HA ASN 66 HA ASN 66 -12.765 -12.858 -7.260 536 HB2 ASN 66 HB2 ASN 66 -15.286 -13.247 -7.907 537 HB3 ASN 66 HB1 ASN 66 -15.114 -11.713 -8.748 538 HD21 ASN 66 HD21 ASN 66 -15.605 -14.413 -9.760 539 HD22 ASN 66 HD22 ASN 66 -14.345 -14.729 -10.899 540 H MET 67 HN MET 67 -13.078 -11.172 -9.675 541 HA MET 67 HA MET 67 -11.443 -8.992 -9.170 542 HB2 MET 67 HB2 MET 67 -13.591 -9.236 -11.288 543 HB3 MET 67 HB1 MET 67 -12.307 -8.036 -11.288 544 HG2 MET 67 HG2 MET 67 -10.653 -9.871 -11.398 545 HG3 MET 67 HG1 MET 67 -11.985 -11.017 -11.523 546 HE1 MET 67 HE1 MET 67 -13.715 -11.042 -13.553 547 HE2 MET 67 HE2 MET 67 -13.617 -9.956 -14.939 548 HE3 MET 67 HE3 MET 67 -14.039 -9.320 -13.349 549 H LYS 68 HN LYS 68 -14.902 -9.333 -8.801 550 HA LYS 68 HA LYS 68 -15.545 -6.640 -8.248 551 HB2 LYS 68 HB2 LYS 68 -16.790 -9.277 -7.524 552 HB3 LYS 68 HB1 LYS 68 -17.393 -7.794 -6.802 553 HG2 LYS 68 HG2 LYS 68 -18.746 -8.379 -8.692 554 HG3 LYS 68 HG1 LYS 68 -17.843 -6.910 -9.051 555 HD2 LYS 68 HD2 LYS 68 -16.277 -8.143 -10.396 556 HD3 LYS 68 HD1 LYS 68 -17.029 -9.672 -9.935 557 HE2 LYS 68 HE2 LYS 68 -17.687 -8.873 -12.194 558 HE3 LYS 68 HE1 LYS 68 -19.047 -9.100 -11.098 559 HZ1 LYS 68 HZ1 LYS 68 -17.759 -6.493 -11.683 560 HZ2 LYS 68 HZ2 LYS 68 -19.123 -6.737 -10.716 561 HZ3 LYS 68 HZ3 LYS 68 -19.199 -7.035 -12.377 562 H PHE 69 HN PHE 69 -15.260 -5.422 -6.469 563 HA PHE 69 HA PHE 69 -14.572 -4.726 -4.425 564 HB2 PHE 69 HB2 PHE 69 -15.296 -7.593 -3.759 565 HB3 PHE 69 HB1 PHE 69 -14.712 -6.457 -2.538 566 HD1 PHE 69 HD1 PHE 69 -16.093 -4.607 -1.805 567 HD2 PHE 69 HD2 PHE 69 -17.475 -7.353 -4.745 568 HE1 PHE 69 HE1 PHE 69 -18.390 -3.792 -1.479 569 HE2 PHE 69 HE2 PHE 69 -19.772 -6.537 -4.431 570 HZ PHE 69 HZ PHE 69 -20.234 -4.757 -2.795 571 H PHE 70 HN PHE 70 -12.492 -4.988 -6.009 572 HA PHE 70 HA PHE 70 -10.342 -6.092 -4.408 573 HB2 PHE 70 HB2 PHE 70 -11.318 -7.870 -5.951 574 HB3 PHE 70 HB1 PHE 70 -10.623 -6.947 -7.267 575 HD1 PHE 70 HD1 PHE 70 -9.723 -8.257 -3.972 576 HD2 PHE 70 HD2 PHE 70 -8.498 -7.534 -7.950 577 HE1 PHE 70 HE1 PHE 70 -7.612 -9.314 -3.487 578 HE2 PHE 70 HE2 PHE 70 -6.353 -8.607 -7.501 579 HZ PHE 70 HZ PHE 70 -5.879 -9.521 -5.250 580 H THR 71 HN THR 71 -8.289 -5.343 -5.063 581 HA THR 71 HA THR 71 -7.826 -4.058 -7.540 582 HB THR 71 HB THR 71 -8.871 -2.208 -5.957 583 HG1 THR 71 HG1 THR 71 -8.381 -1.382 -7.855 584 HG21 THR 71 HG21 THR 71 -7.444 -1.906 -4.170 585 HG22 THR 71 HG22 THR 71 -6.732 -0.769 -5.333 586 HG23 THR 71 HG23 THR 71 -6.029 -2.380 -5.110 587 H GLU 72 HN GLU 72 -5.731 -4.245 -8.100 588 HA GLU 72 HA GLU 72 -3.917 -5.051 -5.949 589 HB2 GLU 72 HB2 GLU 72 -2.438 -5.884 -7.769 590 HB3 GLU 72 HB1 GLU 72 -4.012 -6.661 -7.753 591 HG2 GLU 72 HG2 GLU 72 -4.735 -5.345 -9.632 592 HG3 GLU 72 HG1 GLU 72 -3.241 -4.411 -9.594 593 H VAL 73 HN VAL 73 -2.767 -3.446 -5.135 594 HA VAL 73 HA VAL 73 -2.012 -1.210 -6.887 595 HB VAL 73 HB VAL 73 -1.512 -0.963 -3.987 596 HG11 VAL 73 HG11 VAL 73 -0.942 0.866 -5.374 597 HG12 VAL 73 HG12 VAL 73 -2.393 1.340 -4.490 598 HG13 VAL 73 HG13 VAL 73 -2.513 0.837 -6.174 599 HG21 VAL 73 HG21 VAL 73 -4.307 -0.837 -5.097 600 HG22 VAL 73 HG22 VAL 73 -3.816 -0.257 -3.494 601 HG23 VAL 73 HG23 VAL 73 -3.712 -1.980 -3.885 602 H GLU 74 HN GLU 74 0.224 -0.382 -6.618 603 HA GLU 74 HA GLU 74 2.165 -2.440 -6.067 604 HB2 GLU 74 HB2 GLU 74 2.484 -0.640 -7.799 605 HB3 GLU 74 HB1 GLU 74 2.622 0.509 -6.481 606 HG2 GLU 74 HG2 GLU 74 4.814 -0.033 -7.208 607 HG3 GLU 74 HG1 GLU 74 4.568 -0.777 -5.633 608 H ALA 75 HN ALA 75 3.185 -2.756 -4.137 609 HA ALA 75 HA ALA 75 1.989 -1.530 -1.846 610 HB1 ALA 75 HB1 ALA 75 4.203 -3.584 -2.131 611 HB2 ALA 75 HB2 ALA 75 2.546 -3.831 -1.577 612 HB3 ALA 75 HB3 ALA 75 3.686 -2.931 -0.574 613 H TYR 76 HN TYR 76 4.934 -1.292 -3.659 614 HA TYR 76 HA TYR 76 5.549 1.177 -2.389 615 HB2 TYR 76 HB2 TYR 76 6.582 -1.217 -1.223 616 HB3 TYR 76 HB1 TYR 76 7.933 -0.256 -1.871 617 HD1 TYR 76 HD1 TYR 76 6.580 -0.899 1.017 618 HD2 TYR 76 HD2 TYR 76 6.981 2.493 -1.491 619 HE1 TYR 76 HE1 TYR 76 6.461 0.543 2.969 620 HE2 TYR 76 HE2 TYR 76 6.855 3.958 0.461 621 HH TYR 76 HH TYR 76 6.524 4.066 2.672 622 H ARG 77 HN ARG 77 5.783 2.225 -4.215 623 HA ARG 77 HA ARG 77 7.197 1.177 -6.487 624 HB2 ARG 77 HB2 ARG 77 6.153 3.960 -5.907 625 HB3 ARG 77 HB1 ARG 77 6.792 3.432 -7.454 626 HG2 ARG 77 HG2 ARG 77 4.990 1.790 -7.632 627 HG3 ARG 77 HG1 ARG 77 4.342 2.343 -6.089 628 HD2 ARG 77 HD2 ARG 77 3.095 3.376 -7.856 629 HD3 ARG 77 HD1 ARG 77 4.091 4.608 -7.082 630 HE ARG 77 HE ARG 77 5.575 3.655 -9.203 631 HH11 ARG 77 HH11 ARG 77 2.499 5.265 -8.762 632 HH12 ARG 77 HH12 ARG 77 2.514 6.003 -10.331 633 HH21 ARG 77 HH21 ARG 77 5.597 4.626 -11.276 634 HH22 ARG 77 HH22 ARG 77 4.264 5.628 -11.762 635 HA PRO 78 HA PRO 78 11.358 2.062 -5.422 636 HB2 PRO 78 HB2 PRO 78 11.550 3.047 -8.186 637 HB3 PRO 78 HB1 PRO 78 12.575 1.898 -7.340 638 HG2 PRO 78 HG2 PRO 78 10.781 1.053 -9.113 639 HG3 PRO 78 HG1 PRO 78 11.073 0.153 -7.614 640 HD2 PRO 78 HD2 PRO 78 8.779 1.892 -8.364 641 HD3 PRO 78 HD1 PRO 78 8.818 0.448 -7.333 642 H ASP 79 HN ASP 79 11.414 3.730 -4.029 643 HA ASP 79 HA ASP 79 11.381 6.460 -5.064 644 HB2 ASP 79 HB2 ASP 79 10.033 6.400 -3.198 645 HB3 ASP 79 HB1 ASP 79 11.090 5.276 -2.375 646 H LEU 80 HN LEU 80 13.301 7.111 -5.802 647 HA LEU 80 HA LEU 80 15.707 6.098 -4.554 648 HB2 LEU 80 HB2 LEU 80 15.428 6.012 -7.013 649 HB3 LEU 80 HB1 LEU 80 15.409 7.757 -7.022 650 HG LEU 80 HG LEU 80 17.791 6.423 -5.847 651 HD11 LEU 80 HD11 LEU 80 17.364 5.145 -7.895 652 HD12 LEU 80 HD12 LEU 80 18.797 6.158 -8.052 653 HD13 LEU 80 HD13 LEU 80 17.285 6.648 -8.814 654 HD21 LEU 80 HD21 LEU 80 18.921 8.331 -6.874 655 HD22 LEU 80 HD22 LEU 80 17.588 8.862 -5.850 656 HD23 LEU 80 HD23 LEU 80 17.401 8.847 -7.603 657 H LYS 81 HN LYS 81 13.806 8.845 -4.596 658 HA LYS 81 HA LYS 81 16.022 10.666 -4.092 659 HB2 LYS 81 HB2 LYS 81 14.373 12.467 -4.393 660 HB3 LYS 81 HB1 LYS 81 14.463 11.377 -5.768 661 HG2 LYS 81 HG2 LYS 81 12.441 10.211 -4.846 662 HG3 LYS 81 HG1 LYS 81 12.314 11.521 -3.672 663 HD2 LYS 81 HD2 LYS 81 12.235 11.803 -6.674 664 HD3 LYS 81 HD1 LYS 81 10.856 11.922 -5.581 665 HE2 LYS 81 HE2 LYS 81 11.855 13.877 -4.523 666 HE3 LYS 81 HE1 LYS 81 13.256 13.751 -5.586 667 HZ1 LYS 81 HZ1 LYS 81 11.794 14.123 -7.479 668 HZ2 LYS 81 HZ2 LYS 81 11.706 15.406 -6.384 669 HZ3 LYS 81 HZ3 LYS 81 10.462 14.264 -6.446 670 H HIS 82 HN HIS 82 13.175 9.438 -2.374 671 HA HIS 82 HA HIS 82 13.542 11.348 -0.212 672 HB2 HIS 82 HB2 HIS 82 11.690 8.954 -0.356 673 HB3 HIS 82 HB1 HIS 82 11.628 10.245 0.839 674 HD1 HIS 82 HD1 HIS 82 10.679 9.398 -2.659 675 HD2 HIS 82 HD2 HIS 82 10.545 12.672 -0.101 676 HE1 HIS 82 HE1 HIS 82 9.136 11.060 -3.756 677 HE2 HIS 82 HE2 HIS 82 9.370 13.144 -2.350 678 HA PRO 83 HA PRO 83 16.142 8.515 1.990 679 HB2 PRO 83 HB2 PRO 83 16.534 9.937 4.230 680 HB3 PRO 83 HB1 PRO 83 17.182 10.456 2.673 681 HG2 PRO 83 HG2 PRO 83 14.892 11.527 4.215 682 HG3 PRO 83 HG1 PRO 83 15.966 12.353 3.076 683 HD2 PRO 83 HD2 PRO 83 13.355 11.333 2.568 684 HD3 PRO 83 HD1 PRO 83 14.488 12.032 1.395 685 H LEU 84 HN LEU 84 15.152 6.671 2.590 686 HA LEU 84 HA LEU 84 14.349 6.526 5.381 687 HB2 LEU 84 HB2 LEU 84 12.789 5.035 3.231 688 HB3 LEU 84 HB1 LEU 84 12.628 4.824 4.955 689 HG LEU 84 HG LEU 84 10.750 6.022 4.226 690 HD11 LEU 84 HD11 LEU 84 11.621 6.756 6.346 691 HD12 LEU 84 HD12 LEU 84 10.887 8.107 5.480 692 HD13 LEU 84 HD13 LEU 84 12.641 7.948 5.541 693 HD21 LEU 84 HD21 LEU 84 12.607 7.992 2.908 694 HD22 LEU 84 HD22 LEU 84 10.856 8.162 3.036 695 HD23 LEU 84 HD23 LEU 84 11.547 6.839 2.095 696 H CYS 85 HN CYS 85 14.357 4.505 2.669 697 HA CYS 85 HA CYS 85 16.874 3.464 2.831 698 HB2 CYS 85 HB2 CYS 85 16.440 2.167 4.715 699 HB3 CYS 85 HB1 CYS 85 14.828 1.787 4.165 700 H GLY 86 HN GLY 86 13.780 2.207 2.293 701 HA2 GLY 86 HA2 GLY 86 14.452 1.832 -0.553 702 HA3 GLY 86 HA1 GLY 86 13.149 1.005 0.284 703 H LYS 87 HN LYS 87 11.639 2.882 1.405 704 HA LYS 87 HA LYS 87 11.023 5.058 -0.360 705 HB2 LYS 87 HB2 LYS 87 9.068 2.752 -0.262 706 HB3 LYS 87 HB1 LYS 87 8.857 4.260 -1.127 707 HG2 LYS 87 HG2 LYS 87 9.469 3.014 -2.885 708 HG3 LYS 87 HG1 LYS 87 11.098 3.356 -2.305 709 HD2 LYS 87 HD2 LYS 87 11.048 1.239 -1.024 710 HD3 LYS 87 HD1 LYS 87 9.464 0.891 -1.717 711 HE2 LYS 87 HE2 LYS 87 10.425 0.915 -3.957 712 HE3 LYS 87 HE1 LYS 87 12.005 1.310 -3.285 713 HZ1 LYS 87 HZ1 LYS 87 10.491 -1.214 -2.988 714 HZ2 LYS 87 HZ2 LYS 87 11.820 -0.840 -2.013 715 HZ3 LYS 87 HZ3 LYS 87 12.013 -0.989 -3.692 716 H ARG 88 HN ARG 88 8.794 6.016 0.282 717 HA ARG 88 HA ARG 88 7.578 4.955 2.704 718 HB2 ARG 88 HB2 ARG 88 9.187 6.649 3.547 719 HB3 ARG 88 HB1 ARG 88 8.399 7.864 2.560 720 HG2 ARG 88 HG2 ARG 88 6.319 7.523 3.809 721 HG3 ARG 88 HG1 ARG 88 7.133 6.323 4.814 722 HD2 ARG 88 HD2 ARG 88 8.690 8.015 5.608 723 HD3 ARG 88 HD1 ARG 88 7.934 9.218 4.564 724 HE ARG 88 HE ARG 88 5.935 8.174 6.190 725 HH11 ARG 88 HH11 ARG 88 8.901 9.998 6.563 726 HH12 ARG 88 HH12 ARG 88 8.360 10.836 7.983 727 HH21 ARG 88 HH21 ARG 88 5.210 9.297 8.047 728 HH22 ARG 88 HH22 ARG 88 6.259 10.437 8.825 729 H TYR 89 HN TYR 89 5.601 4.605 1.808 730 HA TYR 89 HA TYR 89 4.199 6.811 0.506 731 HB2 TYR 89 HB2 TYR 89 4.776 4.184 -0.874 732 HB3 TYR 89 HB1 TYR 89 3.539 5.312 -1.416 733 HD1 TYR 89 HD1 TYR 89 4.704 7.884 -1.289 734 HD2 TYR 89 HD2 TYR 89 6.587 4.225 -2.327 735 HE1 TYR 89 HE1 TYR 89 6.372 9.129 -2.597 736 HE2 TYR 89 HE2 TYR 89 8.266 5.453 -3.640 737 HH TYR 89 HH TYR 89 8.495 7.634 -4.775 738 H GLU 90 HN GLU 90 1.934 6.413 0.168 739 HA GLU 90 HA GLU 90 0.755 4.315 1.845 740 HB2 GLU 90 HB2 GLU 90 0.575 6.079 3.331 741 HB3 GLU 90 HB1 GLU 90 0.518 7.278 2.056 742 HG2 GLU 90 HG2 GLU 90 -1.800 6.597 1.557 743 HG3 GLU 90 HG1 GLU 90 -1.731 5.465 2.905 744 H LEU 91 HN LEU 91 -1.035 3.358 0.946 745 HA LEU 91 HA LEU 91 -2.311 4.809 -1.275 746 HB2 LEU 91 HB2 LEU 91 -2.752 1.881 -0.626 747 HB3 LEU 91 HB1 LEU 91 -3.364 2.766 -1.985 748 HG LEU 91 HG LEU 91 -1.609 1.386 -2.783 749 HD11 LEU 91 HD11 LEU 91 -0.023 2.984 -3.693 750 HD12 LEU 91 HD12 LEU 91 -0.538 4.184 -2.508 751 HD13 LEU 91 HD13 LEU 91 -1.667 3.621 -3.739 752 HD21 LEU 91 HD21 LEU 91 -0.476 0.904 -0.694 753 HD22 LEU 91 HD22 LEU 91 0.152 2.551 -0.634 754 HD23 LEU 91 HD23 LEU 91 0.675 1.453 -1.912 755 H SER 92 HN SER 92 -4.516 5.217 -1.198 756 HA SER 92 HA SER 92 -5.856 4.515 1.305 757 HB2 SER 92 HB2 SER 92 -6.021 7.275 0.167 758 HB3 SER 92 HB1 SER 92 -6.552 6.729 1.748 759 HG SER 92 HG SER 92 -3.923 6.222 1.357 760 H ALA 93 HN ALA 93 -7.926 3.910 1.049 761 HA ALA 93 HA ALA 93 -8.745 3.743 -1.727 762 HB1 ALA 93 HB1 ALA 93 -10.277 2.299 0.306 763 HB2 ALA 93 HB2 ALA 93 -8.573 1.873 0.141 764 HB3 ALA 93 HB3 ALA 93 -9.648 1.769 -1.267 765 H ARG 94 HN ARG 94 -10.403 4.560 -2.585 766 HA ARG 94 HA ARG 94 -12.145 5.892 -3.010 767 HB2 ARG 94 HB2 ARG 94 -13.034 3.676 -1.623 768 HB3 ARG 94 HB1 ARG 94 -14.094 5.047 -1.404 769 HG2 ARG 94 HG2 ARG 94 -13.188 4.042 -4.088 770 HG3 ARG 94 HG1 ARG 94 -14.700 3.559 -3.324 771 HD2 ARG 94 HD2 ARG 94 -13.923 6.387 -4.034 772 HD3 ARG 94 HD1 ARG 94 -15.008 5.361 -4.971 773 HE ARG 94 HE ARG 94 -16.153 5.372 -2.527 774 HH11 ARG 94 HH11 ARG 94 -15.107 7.889 -4.719 775 HH12 ARG 94 HH12 ARG 94 -16.229 9.064 -4.118 776 HH21 ARG 94 HH21 ARG 94 -17.649 6.911 -1.732 777 HH22 ARG 94 HH22 ARG 94 -17.679 8.505 -2.411 778 H MET 95 HN MET 95 -11.130 6.776 0.136 779 HA MET 95 HA MET 95 -12.407 9.012 0.397 780 HB2 MET 95 HB2 MET 95 -9.725 9.510 -0.868 781 HB3 MET 95 HB1 MET 95 -10.439 10.282 0.535 782 HG2 MET 95 HG2 MET 95 -10.063 8.223 1.816 783 HG3 MET 95 HG1 MET 95 -9.262 7.523 0.413 784 HE1 MET 95 HE1 MET 95 -9.038 11.289 1.659 785 HE2 MET 95 HE2 MET 95 -7.673 11.165 2.769 786 HE3 MET 95 HE3 MET 95 -9.180 10.322 3.127 787 H ASP 96 HN ASP 96 -11.307 7.757 -2.578 788 HA ASP 96 HA ASP 96 -12.988 8.589 -4.409 789 HB2 ASP 96 HB2 ASP 96 -12.453 10.985 -3.858 790 HB3 ASP 96 HB1 ASP 96 -10.814 10.702 -4.438 791 H ALA 97 HN ALA 97 -11.940 6.377 -4.487 792 HA ALA 97 HA ALA 97 -10.821 4.887 -5.835 793 HB1 ALA 97 HB1 ALA 97 -9.442 7.322 -6.921 794 HB2 ALA 97 HB2 ALA 97 -10.422 6.125 -7.772 795 HB3 ALA 97 HB3 ALA 97 -8.775 5.701 -7.228 796 H ILE 98 HN ILE 98 -8.329 4.321 -6.139 797 HA ILE 98 HA ILE 98 -7.322 4.232 -3.426 798 HB ILE 98 HB ILE 98 -6.467 2.801 -5.953 799 HG12 ILE 98 HG12 ILE 98 -8.672 2.329 -4.652 800 HG13 ILE 98 HG11 ILE 98 -7.658 0.963 -5.102 801 HG21 ILE 98 HG21 ILE 98 -4.539 3.264 -4.413 802 HG22 ILE 98 HG22 ILE 98 -4.906 1.541 -4.548 803 HG23 ILE 98 HG23 ILE 98 -5.407 2.439 -3.111 804 HD11 ILE 98 HD11 ILE 98 -7.714 2.345 -2.441 805 HD12 ILE 98 HD12 ILE 98 -6.774 0.901 -2.858 806 HD13 ILE 98 HD13 ILE 98 -8.535 0.827 -2.835 807 H TYR 99 HN TYR 99 -6.169 5.800 -2.807 808 HA TYR 99 HA TYR 99 -4.825 7.575 -4.650 809 HB2 TYR 99 HB2 TYR 99 -5.309 7.581 -1.689 810 HB3 TYR 99 HB1 TYR 99 -4.127 8.673 -2.395 811 HD1 TYR 99 HD1 TYR 99 -7.717 7.771 -2.359 812 HD2 TYR 99 HD2 TYR 99 -4.794 10.632 -3.521 813 HE1 TYR 99 HE1 TYR 99 -9.500 9.393 -2.848 814 HE2 TYR 99 HE2 TYR 99 -6.567 12.257 -4.014 815 HH TYR 99 HH TYR 99 -8.991 12.207 -4.606 816 H PHE 100 HN PHE 100 -2.703 7.771 -4.963 817 HA PHE 100 HA PHE 100 -0.918 6.089 -3.348 818 HB2 PHE 100 HB2 PHE 100 -0.732 5.580 -5.708 819 HB3 PHE 100 HB1 PHE 100 -0.572 7.284 -6.109 820 HD1 PHE 100 HD1 PHE 100 1.517 7.864 -6.804 821 HD2 PHE 100 HD2 PHE 100 1.126 4.914 -3.763 822 HE1 PHE 100 HE1 PHE 100 3.967 7.668 -6.685 823 HE2 PHE 100 HE2 PHE 100 3.574 4.715 -3.636 824 HZ PHE 100 HZ PHE 100 4.998 6.091 -5.099 825 H LYS 101 HN LYS 101 -0.103 7.282 -1.706 826 HA LYS 101 HA LYS 101 0.179 10.156 -2.146 827 HB2 LYS 101 HB2 LYS 101 -1.120 9.434 -0.177 828 HB3 LYS 101 HB1 LYS 101 0.318 8.660 0.471 829 HG2 LYS 101 HG2 LYS 101 1.447 10.809 0.579 830 HG3 LYS 101 HG1 LYS 101 0.043 11.601 -0.131 831 HD2 LYS 101 HD2 LYS 101 -0.087 11.999 2.189 832 HD3 LYS 101 HD1 LYS 101 -1.276 10.742 1.849 833 HE2 LYS 101 HE2 LYS 101 0.307 9.047 2.612 834 HE3 LYS 101 HE1 LYS 101 1.496 10.299 2.949 835 HZ1 LYS 101 HZ1 LYS 101 -0.126 11.259 4.532 836 HZ2 LYS 101 HZ2 LYS 101 0.407 9.713 4.969 837 HZ3 LYS 101 HZ3 LYS 101 -1.125 9.915 4.279 838 H MET 102 HN MET 102 1.978 11.155 -2.186 839 HA MET 102 HA MET 102 4.453 9.640 -1.744 840 HB2 MET 102 HB2 MET 102 3.966 11.956 -3.623 841 HB3 MET 102 HB1 MET 102 5.499 11.128 -3.399 842 HG2 MET 102 HG2 MET 102 4.463 9.052 -4.221 843 HG3 MET 102 HG1 MET 102 2.970 9.941 -4.515 844 HE1 MET 102 HE1 MET 102 6.699 9.409 -5.549 845 HE2 MET 102 HE2 MET 102 6.705 11.105 -5.065 846 HE3 MET 102 HE3 MET 102 6.934 10.670 -6.758 847 H ASP 103 HN ASP 103 6.299 11.025 -1.084 848 HA ASP 103 HA ASP 103 5.526 12.808 1.034 849 HB2 ASP 103 HB2 ASP 103 7.720 11.254 0.551 850 HB3 ASP 103 HB1 ASP 103 8.291 12.879 0.192 851 H GLU 104 HN GLU 104 6.667 14.980 1.149 852 HA GLU 104 HA GLU 104 6.698 17.097 0.508 853 HB2 GLU 104 HB2 GLU 104 7.569 16.239 -2.192 854 HB3 GLU 104 HB1 GLU 104 8.051 17.606 -1.225 855 HG2 GLU 104 HG2 GLU 104 9.408 16.319 0.177 856 HG3 GLU 104 HG1 GLU 104 8.727 14.814 -0.436 857 H ARG 105 HN ARG 105 5.076 15.011 -1.805 858 HA ARG 105 HA ARG 105 3.418 17.315 -2.657 859 HB2 ARG 105 HB2 ARG 105 3.078 16.144 -4.775 860 HB3 ARG 105 HB1 ARG 105 4.790 16.372 -4.459 861 HG2 ARG 105 HG2 ARG 105 4.919 14.040 -3.666 862 HG3 ARG 105 HG1 ARG 105 3.221 13.831 -4.102 863 HD2 ARG 105 HD2 ARG 105 4.612 12.966 -5.871 864 HD3 ARG 105 HD1 ARG 105 3.784 14.416 -6.432 865 HE ARG 105 HE ARG 105 6.141 15.389 -5.567 866 HH11 ARG 105 HH11 ARG 105 5.306 12.771 -7.733 867 HH12 ARG 105 HH12 ARG 105 6.764 12.901 -8.660 868 HH21 ARG 105 HH21 ARG 105 8.056 15.578 -6.802 869 HH22 ARG 105 HH22 ARG 105 8.325 14.498 -8.135 870 HA PRO 106 HA PRO 106 -0.196 15.411 -1.030 871 HB2 PRO 106 HB2 PRO 106 -2.098 16.152 -2.815 872 HB3 PRO 106 HB1 PRO 106 -1.336 17.292 -1.699 873 HG2 PRO 106 HG2 PRO 106 -0.716 16.766 -4.583 874 HG3 PRO 106 HG1 PRO 106 -0.880 18.320 -3.740 875 HD2 PRO 106 HD2 PRO 106 1.524 17.227 -4.281 876 HD3 PRO 106 HD1 PRO 106 1.232 18.181 -2.815 877 HA PRO 107 HA PRO 107 -0.981 11.435 -2.781 878 HB2 PRO 107 HB2 PRO 107 -3.542 11.012 -1.940 879 HB3 PRO 107 HB1 PRO 107 -2.135 10.893 -0.882 880 HG2 PRO 107 HG2 PRO 107 -4.046 13.167 -1.235 881 HG3 PRO 107 HG1 PRO 107 -3.370 12.497 0.261 882 HD2 PRO 107 HD2 PRO 107 -2.402 14.746 -0.840 883 HD3 PRO 107 HD1 PRO 107 -1.344 13.579 -0.021 884 H GLN 108 HN GLN 108 -1.639 10.609 -4.675 885 HA GLN 108 HA GLN 108 -3.690 12.098 -6.181 886 HB2 GLN 108 HB2 GLN 108 -2.481 11.216 -8.227 887 HB3 GLN 108 HB1 GLN 108 -1.639 12.461 -7.304 888 HG2 GLN 108 HG2 GLN 108 -0.271 10.748 -6.230 889 HG3 GLN 108 HG1 GLN 108 -1.121 9.497 -7.134 890 HE21 GLN 108 HE21 GLN 108 1.137 12.136 -7.318 891 HE22 GLN 108 HE22 GLN 108 1.794 11.730 -8.863 892 HA PRO 109 HA PRO 109 -6.075 8.288 -6.428 893 HB2 PRO 109 HB2 PRO 109 -6.908 9.593 -8.966 894 HB3 PRO 109 HB1 PRO 109 -7.912 8.908 -7.680 895 HG2 PRO 109 HG2 PRO 109 -7.701 11.528 -7.914 896 HG3 PRO 109 HG1 PRO 109 -7.626 10.781 -6.306 897 HD2 PRO 109 HD2 PRO 109 -5.392 11.812 -8.020 898 HD3 PRO 109 HD1 PRO 109 -5.642 11.986 -6.269 899 H LEU 110 HN LEU 110 -4.563 6.686 -6.935 900 HA LEU 110 HA LEU 110 -3.389 6.753 -9.606 901 HB2 LEU 110 HB2 LEU 110 -1.821 6.625 -7.739 902 HB3 LEU 110 HB1 LEU 110 -2.598 5.157 -7.179 903 HG LEU 110 HG LEU 110 -1.926 4.087 -9.368 904 HD11 LEU 110 HD11 LEU 110 -1.545 6.091 -10.668 905 HD12 LEU 110 HD12 LEU 110 -0.069 5.131 -10.584 906 HD13 LEU 110 HD13 LEU 110 -0.239 6.574 -9.584 907 HD21 LEU 110 HD21 LEU 110 0.282 5.056 -7.562 908 HD22 LEU 110 HD22 LEU 110 0.370 3.678 -8.659 909 HD23 LEU 110 HD23 LEU 110 -0.739 3.644 -7.287 910 H ASN 111 HN ASN 111 -5.804 5.120 -7.862 911 HA ASN 111 HA ASN 111 -6.063 3.094 -9.885 912 HB2 ASN 111 HB2 ASN 111 -4.329 2.478 -7.749 913 HB3 ASN 111 HB1 ASN 111 -5.850 1.691 -7.326 914 HD21 ASN 111 HD21 ASN 111 -5.144 -0.359 -7.637 915 HD22 ASN 111 HD22 ASN 111 -4.735 -1.002 -9.184 916 H LYS 112 HN LYS 112 -7.859 1.518 -8.935 917 HA LYS 112 HA LYS 112 -9.340 2.689 -6.767 918 HB2 LYS 112 HB2 LYS 112 -10.198 3.764 -8.863 919 HB3 LYS 112 HB1 LYS 112 -10.733 2.178 -9.342 920 HG2 LYS 112 HG2 LYS 112 -12.177 2.045 -7.399 921 HG3 LYS 112 HG1 LYS 112 -11.658 3.657 -6.911 922 HD2 LYS 112 HD2 LYS 112 -12.574 4.589 -8.966 923 HD3 LYS 112 HD1 LYS 112 -13.062 2.979 -9.490 924 HE2 LYS 112 HE2 LYS 112 -14.546 2.805 -7.546 925 HE3 LYS 112 HE1 LYS 112 -14.062 4.422 -7.037 926 HZ1 LYS 112 HZ1 LYS 112 -16.163 4.473 -8.209 927 HZ2 LYS 112 HZ2 LYS 112 -15.465 3.747 -9.566 928 HZ3 LYS 112 HZ3 LYS 112 -14.986 5.297 -9.098 929 H TRP 113 HN TRP 113 -10.717 1.248 -5.882 930 HA TRP 113 HA TRP 113 -10.264 -1.502 -6.617 931 HB2 TRP 113 HB2 TRP 113 -11.356 -2.008 -4.458 932 HB3 TRP 113 HB1 TRP 113 -9.843 -1.091 -4.268 933 HD1 TRP 113 HD1 TRP 113 -10.399 1.738 -4.164 934 HE1 TRP 113 HE1 TRP 113 -12.131 2.900 -2.682 935 HE3 TRP 113 HE3 TRP 113 -13.403 -2.274 -3.201 936 HZ2 TRP 113 HZ2 TRP 113 -14.477 2.181 -1.244 937 HZ3 TRP 113 HZ3 TRP 113 -15.367 -1.958 -1.756 938 HH2 TRP 113 HH2 TRP 113 -15.890 0.225 -0.798 939 H ARG 114 HN ARG 114 -11.848 -2.921 -6.888 940 HA ARG 114 HA ARG 114 -14.145 -1.929 -8.278 941 HB2 ARG 114 HB2 ARG 114 -13.150 -4.636 -7.513 942 HB3 ARG 114 HB1 ARG 114 -14.565 -4.394 -8.540 943 HG2 ARG 114 HG2 ARG 114 -11.688 -3.737 -9.141 944 HG3 ARG 114 HG1 ARG 114 -12.734 -4.887 -9.972 945 HD2 ARG 114 HD2 ARG 114 -12.967 -1.883 -9.973 946 HD3 ARG 114 HD1 ARG 114 -12.489 -2.910 -11.320 947 HE ARG 114 HE ARG 114 -14.987 -3.787 -10.624 948 HH11 ARG 114 HH11 ARG 114 -13.592 -0.740 -11.646 949 HH12 ARG 114 HH12 ARG 114 -15.071 -0.152 -12.335 950 HH21 ARG 114 HH21 ARG 114 -16.936 -2.999 -11.541 951 HH22 ARG 114 HH22 ARG 114 -16.957 -1.431 -12.283 952 H SER 115 HN SER 115 -16.237 -3.139 -7.872 953 HA SER 115 HA SER 115 -17.067 -4.096 -5.427 954 HB2 SER 115 HB2 SER 115 -16.439 -1.955 -4.476 955 HB3 SER 115 HB1 SER 115 -17.409 -1.135 -5.675 956 HG SER 115 HG SER 115 -18.236 -2.651 -3.467 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 19.281 6.682 5.381 2 H2 ALA 1 HT2 ALA 1 17.947 7.695 5.594 3 H3 ALA 1 HT3 ALA 1 19.474 8.361 5.324 4 HA ALA 1 HA ALA 1 17.941 6.719 3.401 5 HB1 ALA 1 HB1 ALA 1 17.644 8.760 2.131 6 HB2 ALA 1 HB2 ALA 1 18.535 9.672 3.347 7 HB3 ALA 1 HB3 ALA 1 16.978 8.950 3.753 8 H MET 2 HN MET 2 20.953 7.236 4.532 9 HA MET 2 HA MET 2 22.323 7.717 2.043 10 HB2 MET 2 HB2 MET 2 23.280 7.010 4.814 11 HB3 MET 2 HB1 MET 2 24.374 7.157 3.444 12 HG2 MET 2 HG2 MET 2 22.570 9.330 4.481 13 HG3 MET 2 HG1 MET 2 24.300 9.194 4.788 14 HE1 MET 2 HE1 MET 2 24.486 11.735 3.923 15 HE2 MET 2 HE2 MET 2 22.772 11.783 3.510 16 HE3 MET 2 HE3 MET 2 23.979 12.255 2.315 17 H GLY 3 HN GLY 3 22.073 4.964 4.288 18 HA2 GLY 3 HA2 GLY 3 23.109 3.162 2.249 19 HA3 GLY 3 HA1 GLY 3 22.655 2.732 3.893 20 H CYS 4 HN CYS 4 20.916 1.487 4.040 21 HA CYS 4 HA CYS 4 18.616 2.244 2.466 22 HB2 CYS 4 HB2 CYS 4 20.119 -0.141 1.891 23 HB3 CYS 4 HB1 CYS 4 18.478 -0.547 2.391 24 H LYS 5 HN LYS 5 16.713 0.706 3.129 25 HA LYS 5 HA LYS 5 16.595 0.473 5.991 26 HB2 LYS 5 HB2 LYS 5 16.417 2.819 5.682 27 HB3 LYS 5 HB1 LYS 5 15.234 2.552 4.449 28 HG2 LYS 5 HG2 LYS 5 14.169 3.314 6.466 29 HG3 LYS 5 HG1 LYS 5 13.670 1.673 6.054 30 HD2 LYS 5 HD2 LYS 5 15.287 0.778 7.669 31 HD3 LYS 5 HD1 LYS 5 15.780 2.419 8.084 32 HE2 LYS 5 HE2 LYS 5 13.017 1.272 8.451 33 HE3 LYS 5 HE1 LYS 5 14.220 1.469 9.725 34 HZ1 LYS 5 HZ1 LYS 5 12.662 3.278 9.770 35 HZ2 LYS 5 HZ2 LYS 5 12.959 3.644 8.150 36 HZ3 LYS 5 HZ3 LYS 5 14.176 3.868 9.302 37 H GLU 6 HN GLU 6 15.076 -1.077 6.550 38 HA GLU 6 HA GLU 6 13.241 -2.249 4.780 39 HB2 GLU 6 HB2 GLU 6 13.055 -1.864 7.788 40 HB3 GLU 6 HB1 GLU 6 11.931 -2.832 6.838 41 HG2 GLU 6 HG2 GLU 6 13.371 -4.441 7.564 42 HG3 GLU 6 HG1 GLU 6 14.090 -4.020 6.003 43 H ILE 7 HN ILE 7 11.886 -1.146 3.617 44 HA ILE 7 HA ILE 7 11.092 1.535 4.267 45 HB ILE 7 HB ILE 7 10.629 -0.297 1.952 46 HG12 ILE 7 HG12 ILE 7 12.708 0.434 1.659 47 HG13 ILE 7 HG11 ILE 7 11.861 1.721 0.865 48 HG21 ILE 7 HG21 ILE 7 9.706 1.527 0.693 49 HG22 ILE 7 HG22 ILE 7 9.671 2.511 2.155 50 HG23 ILE 7 HG23 ILE 7 8.665 1.064 2.040 51 HD11 ILE 7 HD11 ILE 7 13.041 1.748 3.589 52 HD12 ILE 7 HD12 ILE 7 11.961 2.993 2.974 53 HD13 ILE 7 HD13 ILE 7 13.527 2.717 2.184 54 H GLU 8 HN GLU 8 8.872 2.304 4.274 55 HA GLU 8 HA GLU 8 7.174 0.336 5.655 56 HB2 GLU 8 HB2 GLU 8 7.209 3.352 5.882 57 HB3 GLU 8 HB1 GLU 8 6.175 2.267 6.801 58 HG2 GLU 8 HG2 GLU 8 7.947 1.456 8.067 59 HG3 GLU 8 HG1 GLU 8 9.150 2.025 6.915 60 H ILE 9 HN ILE 9 4.885 0.517 5.335 61 HA ILE 9 HA ILE 9 3.975 1.895 2.933 62 HB ILE 9 HB ILE 9 2.856 -0.638 2.789 63 HG12 ILE 9 HG12 ILE 9 5.439 -0.786 4.058 64 HG13 ILE 9 HG11 ILE 9 4.267 -2.056 3.768 65 HG21 ILE 9 HG21 ILE 9 3.316 0.552 0.823 66 HG22 ILE 9 HG22 ILE 9 4.375 -0.866 0.785 67 HG23 ILE 9 HG23 ILE 9 5.024 0.710 1.236 68 HD11 ILE 9 HD11 ILE 9 5.120 -2.319 1.513 69 HD12 ILE 9 HD12 ILE 9 6.363 -2.595 2.739 70 HD13 ILE 9 HD13 ILE 9 6.318 -1.072 1.844 71 H VAL 10 HN VAL 10 2.241 3.128 3.929 72 HA VAL 10 HA VAL 10 0.508 1.585 5.727 73 HB VAL 10 HB VAL 10 0.026 3.420 6.750 74 HG11 VAL 10 HG11 VAL 10 2.187 4.240 6.122 75 HG12 VAL 10 HG12 VAL 10 1.022 5.560 6.221 76 HG13 VAL 10 HG13 VAL 10 1.514 4.934 4.647 77 HG21 VAL 10 HG21 VAL 10 -1.060 4.410 4.149 78 HG22 VAL 10 HG22 VAL 10 -1.297 5.217 5.698 79 HG23 VAL 10 HG23 VAL 10 -1.924 3.585 5.446 80 H ILE 11 HN ILE 11 -1.411 0.867 5.396 81 HA ILE 11 HA ILE 11 -2.716 1.421 2.838 82 HB ILE 11 HB ILE 11 -3.248 -0.773 4.842 83 HG12 ILE 11 HG12 ILE 11 -1.212 -1.196 3.669 84 HG13 ILE 11 HG11 ILE 11 -2.461 -2.264 3.023 85 HG21 ILE 11 HG21 ILE 11 -4.550 -0.288 2.173 86 HG22 ILE 11 HG22 ILE 11 -5.308 -0.108 3.758 87 HG23 ILE 11 HG23 ILE 11 -4.804 -1.703 3.200 88 HD11 ILE 11 HD11 ILE 11 -1.502 0.295 1.840 89 HD12 ILE 11 HD12 ILE 11 -2.815 -0.689 1.205 90 HD13 ILE 11 HD13 ILE 11 -1.169 -1.331 1.236 91 H LYS 12 HN LYS 12 -4.183 2.931 2.943 92 HA LYS 12 HA LYS 12 -5.556 3.412 5.520 93 HB2 LYS 12 HB2 LYS 12 -4.214 5.204 3.819 94 HB3 LYS 12 HB1 LYS 12 -5.938 5.506 3.524 95 HG2 LYS 12 HG2 LYS 12 -4.484 5.655 6.151 96 HG3 LYS 12 HG1 LYS 12 -5.142 6.992 5.214 97 HD2 LYS 12 HD2 LYS 12 -7.388 6.183 5.573 98 HD3 LYS 12 HD1 LYS 12 -6.769 4.769 6.429 99 HE2 LYS 12 HE2 LYS 12 -5.792 6.247 8.127 100 HE3 LYS 12 HE1 LYS 12 -6.460 7.643 7.281 101 HZ1 LYS 12 HZ1 LYS 12 -8.076 5.416 8.380 102 HZ2 LYS 12 HZ2 LYS 12 -8.659 6.854 7.700 103 HZ3 LYS 12 HZ3 LYS 12 -7.818 6.891 9.164 104 H ASN 13 HN ASN 13 -7.840 3.662 5.444 105 HA ASN 13 HA ASN 13 -9.111 3.457 2.826 106 HB2 ASN 13 HB2 ASN 13 -9.098 1.178 3.762 107 HB3 ASN 13 HB1 ASN 13 -9.904 1.770 5.212 108 HD21 ASN 13 HD21 ASN 13 -10.686 2.937 2.000 109 HD22 ASN 13 HD22 ASN 13 -12.242 2.191 1.921 110 H THR 14 HN THR 14 -10.405 5.137 2.618 111 HA THR 14 HA THR 14 -11.935 6.121 4.832 112 HB THR 14 HB THR 14 -9.837 7.131 5.361 113 HG1 THR 14 HG1 THR 14 -10.676 9.067 5.684 114 HG21 THR 14 HG21 THR 14 -8.799 6.982 3.238 115 HG22 THR 14 HG22 THR 14 -8.812 8.680 3.743 116 HG23 THR 14 HG23 THR 14 -9.988 8.103 2.548 117 H LEU 15 HN LEU 15 -13.514 5.406 3.025 118 HA LEU 15 HA LEU 15 -13.948 7.570 1.221 119 HB2 LEU 15 HB2 LEU 15 -15.858 5.300 1.825 120 HB3 LEU 15 HB1 LEU 15 -16.017 6.467 0.565 121 HG LEU 15 HG LEU 15 -14.236 5.577 -0.663 122 HD11 LEU 15 HD11 LEU 15 -13.631 3.945 1.706 123 HD12 LEU 15 HD12 LEU 15 -12.737 5.303 0.998 124 HD13 LEU 15 HD13 LEU 15 -12.871 3.775 0.107 125 HD21 LEU 15 HD21 LEU 15 -15.839 3.305 0.477 126 HD22 LEU 15 HD22 LEU 15 -14.936 3.263 -1.037 127 HD23 LEU 15 HD23 LEU 15 -16.329 4.332 -0.870 128 H GLY 16 HN GLY 16 -14.359 6.862 4.356 129 HA2 GLY 16 HA2 GLY 16 -15.324 8.862 5.617 130 HA3 GLY 16 HA1 GLY 16 -16.823 8.371 4.812 131 HA PRO 17 HA PRO 17 -16.310 6.393 9.065 132 HB2 PRO 17 HB2 PRO 17 -19.277 6.552 8.790 133 HB3 PRO 17 HB1 PRO 17 -18.256 6.889 10.191 134 HG2 PRO 17 HG2 PRO 17 -19.292 8.891 8.804 135 HG3 PRO 17 HG1 PRO 17 -17.623 8.982 9.394 136 HD2 PRO 17 HD2 PRO 17 -18.630 8.416 6.636 137 HD3 PRO 17 HD1 PRO 17 -17.223 9.372 7.149 138 H SER 18 HN SER 18 -16.198 4.278 9.388 139 HA SER 18 HA SER 18 -16.565 2.047 9.331 140 HB2 SER 18 HB2 SER 18 -19.239 2.763 8.103 141 HB3 SER 18 HB1 SER 18 -18.812 1.233 8.870 142 HG SER 18 HG SER 18 -18.248 2.835 10.720 143 H ARG 19 HN ARG 19 -15.439 3.481 6.905 144 HA ARG 19 HA ARG 19 -15.941 1.508 4.840 145 HB2 ARG 19 HB2 ARG 19 -14.178 3.910 5.082 146 HB3 ARG 19 HB1 ARG 19 -13.707 2.656 3.951 147 HG2 ARG 19 HG2 ARG 19 -14.980 4.545 3.023 148 HG3 ARG 19 HG1 ARG 19 -15.681 2.954 2.694 149 HD2 ARG 19 HD2 ARG 19 -17.266 3.285 4.534 150 HD3 ARG 19 HD1 ARG 19 -16.548 4.862 4.859 151 HE ARG 19 HE ARG 19 -17.555 4.506 2.167 152 HH11 ARG 19 HH11 ARG 19 -18.369 5.475 5.433 153 HH12 ARG 19 HH12 ARG 19 -19.642 6.544 4.929 154 HH21 ARG 19 HH21 ARG 19 -19.236 5.906 1.510 155 HH22 ARG 19 HH22 ARG 19 -20.131 6.790 2.707 156 H ILE 20 HN ILE 20 -15.038 -0.456 4.879 157 HA ILE 20 HA ILE 20 -12.419 -0.721 6.188 158 HB ILE 20 HB ILE 20 -14.406 -2.942 6.389 159 HG12 ILE 20 HG12 ILE 20 -15.405 -0.915 7.382 160 HG13 ILE 20 HG11 ILE 20 -15.161 -2.209 8.525 161 HG21 ILE 20 HG21 ILE 20 -12.241 -2.161 8.249 162 HG22 ILE 20 HG22 ILE 20 -11.923 -3.144 6.818 163 HG23 ILE 20 HG23 ILE 20 -13.020 -3.729 8.079 164 HD11 ILE 20 HD11 ILE 20 -13.245 -1.103 9.401 165 HD12 ILE 20 HD12 ILE 20 -14.606 0.030 9.384 166 HD13 ILE 20 HD13 ILE 20 -13.345 0.131 8.153 167 H LEU 21 HN LEU 21 -11.085 -1.157 4.558 168 HA LEU 21 HA LEU 21 -11.841 -3.322 2.708 169 HB2 LEU 21 HB2 LEU 21 -10.371 -0.771 2.218 170 HB3 LEU 21 HB1 LEU 21 -9.842 -2.199 1.313 171 HG LEU 21 HG LEU 21 -12.260 -2.439 0.559 172 HD11 LEU 21 HD11 LEU 21 -12.442 0.368 1.628 173 HD12 LEU 21 HD12 LEU 21 -13.335 -1.038 2.211 174 HD13 LEU 21 HD13 LEU 21 -13.631 -0.417 0.588 175 HD21 LEU 21 HD21 LEU 21 -10.716 0.008 -0.272 176 HD22 LEU 21 HD22 LEU 21 -12.015 -0.751 -1.193 177 HD23 LEU 21 HD23 LEU 21 -10.512 -1.626 -0.903 178 H GLN 22 HN GLN 22 -10.571 -5.067 2.627 179 HA GLN 22 HA GLN 22 -8.256 -5.108 4.395 180 HB2 GLN 22 HB2 GLN 22 -9.921 -6.779 4.882 181 HB3 GLN 22 HB1 GLN 22 -9.959 -7.295 3.204 182 HG2 GLN 22 HG2 GLN 22 -7.782 -8.198 3.357 183 HG3 GLN 22 HG1 GLN 22 -7.540 -7.521 4.965 184 HE21 GLN 22 HE21 GLN 22 -8.544 -8.478 6.724 185 HE22 GLN 22 HE22 GLN 22 -9.229 -10.060 6.653 186 H TYR 23 HN TYR 23 -6.241 -5.370 3.636 187 HA TYR 23 HA TYR 23 -5.951 -5.710 0.727 188 HB2 TYR 23 HB2 TYR 23 -3.983 -4.374 0.771 189 HB3 TYR 23 HB1 TYR 23 -5.198 -3.486 1.687 190 HD1 TYR 23 HD1 TYR 23 -5.188 -3.897 4.264 191 HD2 TYR 23 HD2 TYR 23 -1.928 -4.745 1.689 192 HE1 TYR 23 HE1 TYR 23 -3.657 -3.777 6.197 193 HE2 TYR 23 HE2 TYR 23 -0.375 -4.634 3.583 194 HH TYR 23 HH TYR 23 -1.463 -4.576 6.834 195 H HIS 24 HN HIS 24 -4.303 -7.059 -0.017 196 HA HIS 24 HA HIS 24 -2.783 -8.478 2.061 197 HB2 HIS 24 HB2 HIS 24 -4.418 -9.981 0.967 198 HB3 HIS 24 HB1 HIS 24 -3.666 -9.636 -0.584 199 HD1 HIS 24 HD1 HIS 24 -1.238 -9.838 2.118 200 HD2 HIS 24 HD2 HIS 24 -3.057 -12.505 -0.518 201 HE1 HIS 24 HE1 HIS 24 0.212 -11.901 2.118 202 HE2 HIS 24 HE2 HIS 24 -1.028 -13.567 0.691 203 H CYS 25 HN CYS 25 -0.794 -7.657 1.983 204 HA CYS 25 HA CYS 25 0.291 -7.060 -0.648 205 HB2 CYS 25 HB2 CYS 25 0.302 -5.563 1.654 206 HB3 CYS 25 HB1 CYS 25 1.925 -6.243 1.627 207 H ARG 26 HN ARG 26 1.580 -8.406 -1.588 208 HA ARG 26 HA ARG 26 3.687 -9.773 -0.179 209 HB2 ARG 26 HB2 ARG 26 3.070 -12.039 -0.856 210 HB3 ARG 26 HB1 ARG 26 1.834 -11.352 0.186 211 HG2 ARG 26 HG2 ARG 26 0.378 -10.981 -1.666 212 HG3 ARG 26 HG1 ARG 26 1.645 -11.410 -2.816 213 HD2 ARG 26 HD2 ARG 26 0.457 -13.276 -0.767 214 HD3 ARG 26 HD1 ARG 26 -0.001 -13.219 -2.467 215 HE ARG 26 HE ARG 26 2.731 -13.595 -2.440 216 HH11 ARG 26 HH11 ARG 26 -0.051 -15.296 -1.182 217 HH12 ARG 26 HH12 ARG 26 0.658 -16.864 -1.375 218 HH21 ARG 26 HH21 ARG 26 3.670 -15.656 -2.699 219 HH22 ARG 26 HH22 ARG 26 2.782 -17.070 -2.235 220 H SER 27 HN SER 27 5.441 -9.986 -1.532 221 HA SER 27 HA SER 27 5.198 -10.765 -4.247 222 HB2 SER 27 HB2 SER 27 5.754 -7.849 -3.722 223 HB3 SER 27 HB1 SER 27 6.370 -8.651 -5.163 224 HG SER 27 HG SER 27 3.657 -8.940 -4.543 225 H GLY 28 HN GLY 28 7.345 -10.866 -5.334 226 HA2 GLY 28 HA2 GLY 28 9.646 -10.929 -5.435 227 HA3 GLY 28 HA1 GLY 28 9.693 -10.051 -3.911 228 H ASN 29 HN ASN 29 8.931 -11.450 -2.022 229 HA ASN 29 HA ASN 29 9.428 -14.217 -1.969 230 HB2 ASN 29 HB2 ASN 29 11.753 -13.620 -2.444 231 HB3 ASN 29 HB1 ASN 29 11.753 -12.464 -1.117 232 HD21 ASN 29 HD21 ASN 29 12.140 -13.165 0.929 233 HD22 ASN 29 HD22 ASN 29 12.485 -14.812 1.335 234 H THR 30 HN THR 30 9.349 -11.112 -0.411 235 HA THR 30 HA THR 30 8.788 -12.243 2.192 236 HB THR 30 HB THR 30 8.569 -9.758 2.797 237 HG1 THR 30 HG1 THR 30 8.308 -9.072 0.559 238 HG21 THR 30 HG21 THR 30 11.182 -10.773 1.684 239 HG22 THR 30 HG22 THR 30 10.524 -11.156 3.274 240 HG23 THR 30 HG23 THR 30 10.986 -9.498 2.888 241 H ASN 31 HN ASN 31 6.832 -12.484 3.034 242 HA ASN 31 HA ASN 31 4.552 -11.107 1.899 243 HB2 ASN 31 HB2 ASN 31 3.355 -13.383 1.600 244 HB3 ASN 31 HB1 ASN 31 4.450 -12.823 0.349 245 HD21 ASN 31 HD21 ASN 31 5.277 -14.346 3.450 246 HD22 ASN 31 HD22 ASN 31 6.033 -15.735 2.745 247 H VAL 32 HN VAL 32 3.940 -10.230 3.765 248 HA VAL 32 HA VAL 32 2.521 -11.889 5.534 249 HB VAL 32 HB VAL 32 4.354 -12.224 6.805 250 HG11 VAL 32 HG11 VAL 32 5.045 -9.370 6.389 251 HG12 VAL 32 HG12 VAL 32 5.579 -10.717 5.400 252 HG13 VAL 32 HG13 VAL 32 6.067 -10.627 7.096 253 HG21 VAL 32 HG21 VAL 32 4.117 -10.894 8.828 254 HG22 VAL 32 HG22 VAL 32 2.527 -11.291 8.177 255 HG23 VAL 32 HG23 VAL 32 3.196 -9.676 7.945 256 H GLY 33 HN GLY 33 0.622 -10.829 5.145 257 HA2 GLY 33 HA2 GLY 33 -0.096 -8.598 6.537 258 HA3 GLY 33 HA1 GLY 33 0.567 -7.957 5.046 259 H VAL 34 HN VAL 34 -2.048 -9.784 6.474 260 HA VAL 34 HA VAL 34 -3.684 -8.877 4.198 261 HB VAL 34 HB VAL 34 -4.328 -11.400 5.726 262 HG11 VAL 34 HG11 VAL 34 -6.202 -10.216 4.706 263 HG12 VAL 34 HG12 VAL 34 -5.904 -11.750 3.883 264 HG13 VAL 34 HG13 VAL 34 -5.377 -10.233 3.148 265 HG21 VAL 34 HG21 VAL 34 -2.950 -11.115 3.067 266 HG22 VAL 34 HG22 VAL 34 -3.626 -12.622 3.691 267 HG23 VAL 34 HG23 VAL 34 -2.286 -11.839 4.532 268 H GLN 35 HN GLN 35 -4.452 -7.042 5.415 269 HA GLN 35 HA GLN 35 -6.002 -7.668 7.782 270 HB2 GLN 35 HB2 GLN 35 -3.811 -7.075 8.567 271 HB3 GLN 35 HB1 GLN 35 -3.771 -5.655 7.532 272 HG2 GLN 35 HG2 GLN 35 -5.274 -4.515 8.814 273 HG3 GLN 35 HG1 GLN 35 -5.877 -5.979 9.573 274 HE21 GLN 35 HE21 GLN 35 -3.229 -7.043 10.106 275 HE22 GLN 35 HE22 GLN 35 -2.571 -6.114 11.408 276 H TYR 36 HN TYR 36 -7.481 -5.897 8.385 277 HA TYR 36 HA TYR 36 -8.331 -4.397 6.035 278 HB2 TYR 36 HB2 TYR 36 -10.567 -4.349 7.074 279 HB3 TYR 36 HB1 TYR 36 -10.005 -5.960 6.650 280 HD1 TYR 36 HD1 TYR 36 -9.115 -7.408 8.375 281 HD2 TYR 36 HD2 TYR 36 -11.021 -3.768 9.286 282 HE1 TYR 36 HE1 TYR 36 -9.462 -8.201 10.694 283 HE2 TYR 36 HE2 TYR 36 -11.399 -4.503 11.600 284 HH TYR 36 HH TYR 36 -9.842 -7.214 12.929 285 H LEU 37 HN LEU 37 -9.247 -2.259 6.335 286 HA LEU 37 HA LEU 37 -8.169 -0.966 8.725 287 HB2 LEU 37 HB2 LEU 37 -7.835 -0.176 5.900 288 HB3 LEU 37 HB1 LEU 37 -7.721 1.019 7.169 289 HG LEU 37 HG LEU 37 -5.509 0.403 6.750 290 HD11 LEU 37 HD11 LEU 37 -4.779 -0.593 8.786 291 HD12 LEU 37 HD12 LEU 37 -6.318 -1.416 9.007 292 HD13 LEU 37 HD13 LEU 37 -6.231 0.340 9.147 293 HD21 LEU 37 HD21 LEU 37 -6.424 -2.474 6.735 294 HD22 LEU 37 HD22 LEU 37 -4.757 -1.932 6.558 295 HD23 LEU 37 HD23 LEU 37 -5.949 -1.522 5.330 296 H ASN 38 HN ASN 38 -9.125 0.855 9.475 297 HA ASN 38 HA ASN 38 -11.911 1.207 8.674 298 HB2 ASN 38 HB2 ASN 38 -10.699 2.504 11.087 299 HB3 ASN 38 HB1 ASN 38 -12.344 1.937 10.841 300 HD21 ASN 38 HD21 ASN 38 -12.827 -0.233 11.194 301 HD22 ASN 38 HD22 ASN 38 -11.743 -1.291 12.031 302 H PHE 39 HN PHE 39 -12.749 3.444 8.734 303 HA PHE 39 HA PHE 39 -11.260 5.267 7.213 304 HB2 PHE 39 HB2 PHE 39 -13.538 5.541 7.023 305 HB3 PHE 39 HB1 PHE 39 -13.786 5.389 8.750 306 HD1 PHE 39 HD1 PHE 39 -12.560 7.700 6.103 307 HD2 PHE 39 HD2 PHE 39 -13.914 7.242 10.125 308 HE1 PHE 39 HE1 PHE 39 -12.743 10.147 6.333 309 HE2 PHE 39 HE2 PHE 39 -14.091 9.688 10.350 310 HZ PHE 39 HZ PHE 39 -13.506 11.142 8.451 311 H LYS 40 HN LYS 40 -11.287 4.593 10.470 312 HA LYS 40 HA LYS 40 -9.975 7.075 11.253 313 HB2 LYS 40 HB2 LYS 40 -11.776 6.223 12.667 314 HB3 LYS 40 HB1 LYS 40 -10.904 4.718 12.878 315 HG2 LYS 40 HG2 LYS 40 -9.114 5.932 14.041 316 HG3 LYS 40 HG1 LYS 40 -10.039 7.424 13.864 317 HD2 LYS 40 HD2 LYS 40 -11.832 6.518 15.205 318 HD3 LYS 40 HD1 LYS 40 -11.015 4.957 15.298 319 HE2 LYS 40 HE2 LYS 40 -9.946 7.555 16.397 320 HE3 LYS 40 HE1 LYS 40 -10.733 6.296 17.348 321 HZ1 LYS 40 HZ1 LYS 40 -8.968 4.773 16.745 322 HZ2 LYS 40 HZ2 LYS 40 -8.319 6.150 17.473 323 HZ3 LYS 40 HZ3 LYS 40 -8.220 5.958 15.798 324 H GLY 41 HN GLY 41 -8.963 4.160 9.966 325 HA2 GLY 41 HA2 GLY 41 -6.571 4.097 11.662 326 HA3 GLY 41 HA1 GLY 41 -7.418 2.635 11.210 327 H THR 42 HN THR 42 -4.696 3.902 10.754 328 HA THR 42 HA THR 42 -4.392 3.281 7.890 329 HB THR 42 HB THR 42 -1.882 3.699 8.788 330 HG1 THR 42 HG1 THR 42 -2.559 4.179 10.918 331 HG21 THR 42 HG21 THR 42 -3.838 5.857 8.024 332 HG22 THR 42 HG22 THR 42 -2.935 4.823 6.911 333 HG23 THR 42 HG23 THR 42 -2.080 5.978 7.938 334 H ARG 43 HN ARG 43 -2.495 1.783 7.431 335 HA ARG 43 HA ARG 43 -2.022 -0.154 9.581 336 HB2 ARG 43 HB2 ARG 43 -3.584 -0.733 7.324 337 HB3 ARG 43 HB1 ARG 43 -2.004 -1.409 6.969 338 HG2 ARG 43 HG2 ARG 43 -3.284 -1.964 9.607 339 HG3 ARG 43 HG1 ARG 43 -3.791 -2.856 8.176 340 HD2 ARG 43 HD2 ARG 43 -2.113 -4.120 9.338 341 HD3 ARG 43 HD1 ARG 43 -1.448 -3.543 7.817 342 HE ARG 43 HE ARG 43 0.027 -2.198 8.986 343 HH11 ARG 43 HH11 ARG 43 -2.303 -3.597 11.192 344 HH12 ARG 43 HH12 ARG 43 -1.309 -3.352 12.594 345 HH21 ARG 43 HH21 ARG 43 1.350 -1.888 10.841 346 HH22 ARG 43 HH22 ARG 43 0.758 -2.389 12.394 347 H ILE 44 HN ILE 44 0.080 0.212 9.937 348 HA ILE 44 HA ILE 44 1.669 0.669 7.536 349 HB ILE 44 HB ILE 44 2.381 1.465 10.347 350 HG12 ILE 44 HG12 ILE 44 2.287 3.702 8.884 351 HG13 ILE 44 HG11 ILE 44 1.118 2.755 8.002 352 HG21 ILE 44 HG21 ILE 44 3.736 2.155 7.757 353 HG22 ILE 44 HG22 ILE 44 4.227 0.763 8.727 354 HG23 ILE 44 HG23 ILE 44 4.348 2.398 9.396 355 HD11 ILE 44 HD11 ILE 44 0.949 3.351 10.945 356 HD12 ILE 44 HD12 ILE 44 -0.254 2.503 9.969 357 HD13 ILE 44 HD13 ILE 44 0.071 4.211 9.682 358 H ILE 45 HN ILE 45 2.474 -0.966 6.813 359 HA ILE 45 HA ILE 45 3.794 -2.951 8.461 360 HB ILE 45 HB ILE 45 2.506 -4.208 7.220 361 HG12 ILE 45 HG12 ILE 45 4.589 -3.289 5.325 362 HG13 ILE 45 HG11 ILE 45 4.435 -4.799 6.220 363 HG21 ILE 45 HG21 ILE 45 1.103 -2.336 6.554 364 HG22 ILE 45 HG22 ILE 45 1.320 -3.478 5.229 365 HG23 ILE 45 HG23 ILE 45 2.219 -1.963 5.239 366 HD11 ILE 45 HD11 ILE 45 2.599 -5.456 4.940 367 HD12 ILE 45 HD12 ILE 45 3.863 -4.951 3.805 368 HD13 ILE 45 HD13 ILE 45 2.513 -3.864 4.203 369 H LYS 46 HN LYS 46 5.982 -3.523 7.748 370 HA LYS 46 HA LYS 46 7.218 -1.725 5.876 371 HB2 LYS 46 HB2 LYS 46 8.893 -0.854 7.461 372 HB3 LYS 46 HB1 LYS 46 7.262 -0.323 7.833 373 HG2 LYS 46 HG2 LYS 46 7.121 -1.981 9.618 374 HG3 LYS 46 HG1 LYS 46 8.759 -2.524 9.239 375 HD2 LYS 46 HD2 LYS 46 9.607 -0.276 9.741 376 HD3 LYS 46 HD1 LYS 46 7.971 0.246 10.141 377 HE2 LYS 46 HE2 LYS 46 9.505 -1.935 11.544 378 HE3 LYS 46 HE1 LYS 46 9.299 -0.289 12.138 379 HZ1 LYS 46 HZ1 LYS 46 6.879 -0.693 12.132 380 HZ2 LYS 46 HZ2 LYS 46 7.717 -1.703 13.195 381 HZ3 LYS 46 HZ3 LYS 46 7.165 -2.306 11.716 382 H PHE 47 HN PHE 47 9.073 -2.440 5.052 383 HA PHE 47 HA PHE 47 10.520 -4.703 6.005 384 HB2 PHE 47 HB2 PHE 47 8.104 -5.184 4.497 385 HB3 PHE 47 HB1 PHE 47 9.514 -5.700 3.588 386 HD1 PHE 47 HD1 PHE 47 7.700 -6.136 6.755 387 HD2 PHE 47 HD2 PHE 47 10.640 -7.708 4.119 388 HE1 PHE 47 HE1 PHE 47 7.760 -8.214 8.063 389 HE2 PHE 47 HE2 PHE 47 10.708 -9.790 5.421 390 HZ PHE 47 HZ PHE 47 9.216 -10.130 7.262 391 H LYS 48 HN LYS 48 12.468 -4.251 5.196 392 HA LYS 48 HA LYS 48 12.968 -4.478 2.561 393 HB2 LYS 48 HB2 LYS 48 11.991 -2.157 2.472 394 HB3 LYS 48 HB1 LYS 48 13.523 -1.639 3.167 395 HG2 LYS 48 HG2 LYS 48 13.850 -1.334 0.909 396 HG3 LYS 48 HG1 LYS 48 14.590 -2.907 1.205 397 HD2 LYS 48 HD2 LYS 48 13.314 -3.160 -0.765 398 HD3 LYS 48 HD1 LYS 48 12.378 -3.929 0.517 399 HE2 LYS 48 HE2 LYS 48 11.832 -1.067 0.020 400 HE3 LYS 48 HE1 LYS 48 11.334 -2.187 -1.243 401 HZ1 LYS 48 HZ1 LYS 48 9.981 -3.364 0.315 402 HZ2 LYS 48 HZ2 LYS 48 9.598 -1.722 0.436 403 HZ3 LYS 48 HZ3 LYS 48 10.563 -2.456 1.617 404 H ASP 49 HN ASP 49 14.122 -5.851 4.306 405 HA ASP 49 HA ASP 49 16.786 -4.730 4.712 406 HB2 ASP 49 HB2 ASP 49 17.234 -6.641 6.118 407 HB3 ASP 49 HB1 ASP 49 15.671 -5.975 6.582 408 H ASP 50 HN ASP 50 14.994 -6.877 2.792 409 HA ASP 50 HA ASP 50 16.992 -6.965 0.787 410 HB2 ASP 50 HB2 ASP 50 17.651 -8.824 2.431 411 HB3 ASP 50 HB1 ASP 50 16.198 -9.641 1.880 412 H GLY 51 HN GLY 51 15.220 -9.746 0.501 413 HA2 GLY 51 HA2 GLY 51 13.045 -10.238 -0.192 414 HA3 GLY 51 HA1 GLY 51 12.684 -8.521 -0.193 415 H THR 52 HN THR 52 15.522 -9.078 -1.859 416 HA THR 52 HA THR 52 16.174 -9.024 -4.018 417 HB THR 52 HB THR 52 15.120 -10.395 -5.655 418 HG1 THR 52 HG1 THR 52 12.929 -10.205 -3.932 419 HG21 THR 52 HG21 THR 52 15.184 -12.547 -4.484 420 HG22 THR 52 HG22 THR 52 15.101 -11.698 -2.940 421 HG23 THR 52 HG23 THR 52 16.504 -11.488 -3.988 422 H GLU 53 HN GLU 53 16.082 -7.839 -5.873 423 HA GLU 53 HA GLU 53 14.301 -5.593 -5.868 424 HB2 GLU 53 HB2 GLU 53 16.374 -6.485 -7.881 425 HB3 GLU 53 HB1 GLU 53 15.547 -4.938 -7.911 426 HG2 GLU 53 HG2 GLU 53 17.210 -5.851 -5.592 427 HG3 GLU 53 HG1 GLU 53 17.877 -4.956 -6.957 428 H ARG 54 HN ARG 54 12.814 -7.940 -6.150 429 HA ARG 54 HA ARG 54 12.152 -8.211 -8.973 430 HB2 ARG 54 HB2 ARG 54 12.306 -10.193 -7.423 431 HB3 ARG 54 HB1 ARG 54 10.861 -9.596 -6.618 432 HG2 ARG 54 HG2 ARG 54 10.178 -11.283 -8.138 433 HG3 ARG 54 HG1 ARG 54 9.682 -9.734 -8.824 434 HD2 ARG 54 HD2 ARG 54 11.744 -9.762 -10.216 435 HD3 ARG 54 HD1 ARG 54 12.085 -11.379 -9.607 436 HE ARG 54 HE ARG 54 9.789 -10.640 -11.302 437 HH11 ARG 54 HH11 ARG 54 11.955 -13.070 -10.000 438 HH12 ARG 54 HH12 ARG 54 11.415 -14.308 -11.088 439 HH21 ARG 54 HH21 ARG 54 9.094 -12.269 -12.738 440 HH22 ARG 54 HH22 ARG 54 9.794 -13.854 -12.641 441 H SER 55 HN SER 55 10.485 -7.318 -5.952 442 HA SER 55 HA SER 55 9.005 -5.234 -7.064 443 HB2 SER 55 HB2 SER 55 7.878 -7.110 -8.295 444 HB3 SER 55 HB1 SER 55 7.339 -7.741 -6.741 445 HG SER 55 HG SER 55 5.693 -6.468 -7.099 446 H ARG 56 HN ARG 56 9.411 -7.613 -4.589 447 HA ARG 56 HA ARG 56 9.509 -7.411 -2.381 448 HB2 ARG 56 HB2 ARG 56 9.562 -4.757 -3.383 449 HB3 ARG 56 HB1 ARG 56 8.695 -4.845 -1.882 450 HG2 ARG 56 HG2 ARG 56 10.926 -4.359 -1.306 451 HG3 ARG 56 HG1 ARG 56 10.692 -6.068 -0.930 452 HD2 ARG 56 HD2 ARG 56 11.749 -6.716 -2.989 453 HD3 ARG 56 HD1 ARG 56 11.853 -5.035 -3.508 454 HE ARG 56 HE ARG 56 13.297 -6.019 -1.131 455 HH11 ARG 56 HH11 ARG 56 13.259 -4.360 -4.219 456 HH12 ARG 56 HH12 ARG 56 14.926 -3.881 -4.121 457 HH21 ARG 56 HH21 ARG 56 15.474 -5.363 -1.004 458 HH22 ARG 56 HH22 ARG 56 16.169 -4.438 -2.298 459 H TRP 57 HN TRP 57 6.968 -5.139 -3.073 460 HA TRP 57 HA TRP 57 5.051 -6.923 -1.813 461 HB2 TRP 57 HB2 TRP 57 5.571 -4.109 -0.842 462 HB3 TRP 57 HB1 TRP 57 4.241 -5.143 -0.327 463 HD1 TRP 57 HD1 TRP 57 8.076 -4.882 -0.064 464 HE1 TRP 57 HE1 TRP 57 8.859 -6.318 1.921 465 HE3 TRP 57 HE3 TRP 57 3.614 -6.990 1.210 466 HZ2 TRP 57 HZ2 TRP 57 7.718 -8.068 3.809 467 HZ3 TRP 57 HZ3 TRP 57 3.538 -8.527 3.126 468 HH2 TRP 57 HH2 TRP 57 5.551 -9.054 4.395 469 H ASN 58 HN ASN 58 3.192 -6.930 -2.752 470 HA ASN 58 HA ASN 58 2.159 -4.508 -4.059 471 HB2 ASN 58 HB2 ASN 58 2.754 -5.919 -5.881 472 HB3 ASN 58 HB1 ASN 58 2.128 -7.355 -5.084 473 HD21 ASN 58 HD21 ASN 58 0.706 -7.965 -6.617 474 HD22 ASN 58 HD22 ASN 58 -0.679 -7.038 -7.074 475 H CYS 59 HN CYS 59 0.224 -3.960 -3.221 476 HA CYS 59 HA CYS 59 -0.957 -5.859 -1.321 477 HB2 CYS 59 HB2 CYS 59 -1.588 -2.908 -1.578 478 HB3 CYS 59 HB1 CYS 59 -2.080 -3.998 -0.290 479 H LEU 60 HN LEU 60 -3.040 -6.592 -1.504 480 HA LEU 60 HA LEU 60 -4.463 -5.785 -3.947 481 HB2 LEU 60 HB2 LEU 60 -4.520 -8.489 -2.590 482 HB3 LEU 60 HB1 LEU 60 -5.318 -8.054 -4.086 483 HG LEU 60 HG LEU 60 -2.324 -8.144 -3.723 484 HD11 LEU 60 HD11 LEU 60 -2.431 -10.202 -5.045 485 HD12 LEU 60 HD12 LEU 60 -4.192 -10.134 -5.004 486 HD13 LEU 60 HD13 LEU 60 -3.282 -10.368 -3.511 487 HD21 LEU 60 HD21 LEU 60 -4.041 -7.881 -6.186 488 HD22 LEU 60 HD22 LEU 60 -2.283 -8.019 -6.159 489 HD23 LEU 60 HD23 LEU 60 -3.067 -6.603 -5.459 490 H PHE 61 HN PHE 61 -6.396 -4.896 -3.516 491 HA PHE 61 HA PHE 61 -7.246 -5.064 -0.710 492 HB2 PHE 61 HB2 PHE 61 -8.018 -3.183 -2.946 493 HB3 PHE 61 HB1 PHE 61 -8.882 -3.225 -1.425 494 HD1 PHE 61 HD1 PHE 61 -5.293 -3.685 -1.652 495 HD2 PHE 61 HD2 PHE 61 -8.388 -0.889 -0.890 496 HE1 PHE 61 HE1 PHE 61 -3.685 -2.205 -0.617 497 HE2 PHE 61 HE2 PHE 61 -6.780 0.637 0.087 498 HZ PHE 61 HZ PHE 61 -4.540 0.296 -0.033 499 H ARG 62 HN ARG 62 -9.056 -6.152 -0.120 500 HA ARG 62 HA ARG 62 -10.797 -7.138 -2.299 501 HB2 ARG 62 HB2 ARG 62 -11.051 -9.228 -1.015 502 HB3 ARG 62 HB1 ARG 62 -9.379 -8.943 -1.464 503 HG2 ARG 62 HG2 ARG 62 -8.825 -8.251 0.750 504 HG3 ARG 62 HG1 ARG 62 -10.520 -8.269 1.235 505 HD2 ARG 62 HD2 ARG 62 -9.397 -10.242 2.068 506 HD3 ARG 62 HD1 ARG 62 -10.586 -10.690 0.849 507 HE ARG 62 HE ARG 62 -8.094 -10.378 -0.397 508 HH11 ARG 62 HH11 ARG 62 -9.703 -12.497 1.875 509 HH12 ARG 62 HH12 ARG 62 -8.764 -13.887 1.437 510 HH21 ARG 62 HH21 ARG 62 -6.860 -12.217 -0.979 511 HH22 ARG 62 HH22 ARG 62 -7.161 -13.734 -0.191 512 H GLN 63 HN GLN 63 -12.924 -8.040 -1.265 513 HA GLN 63 HA GLN 63 -13.863 -6.453 0.982 514 HB2 GLN 63 HB2 GLN 63 -14.932 -6.162 -1.815 515 HB3 GLN 63 HB1 GLN 63 -15.916 -5.790 -0.411 516 HG2 GLN 63 HG2 GLN 63 -13.252 -4.512 -0.952 517 HG3 GLN 63 HG1 GLN 63 -14.793 -3.835 -1.480 518 HE21 GLN 63 HE21 GLN 63 -12.809 -4.638 1.270 519 HE22 GLN 63 HE22 GLN 63 -13.648 -3.633 2.409 520 H GLY 64 HN GLY 64 -15.290 -8.302 -1.682 521 HA2 GLY 64 HA2 GLY 64 -15.857 -10.695 -0.925 522 HA3 GLY 64 HA1 GLY 64 -16.783 -9.850 0.308 523 H ILE 65 HN ILE 65 -18.816 -9.894 -0.102 524 HA ILE 65 HA ILE 65 -20.762 -10.135 -1.178 525 HB ILE 65 HB ILE 65 -20.791 -7.843 -0.910 526 HG12 ILE 65 HG12 ILE 65 -22.041 -6.995 -2.898 527 HG13 ILE 65 HG11 ILE 65 -21.591 -8.463 -3.757 528 HG21 ILE 65 HG21 ILE 65 -19.352 -7.343 -3.468 529 HG22 ILE 65 HG22 ILE 65 -18.514 -7.592 -1.936 530 HG23 ILE 65 HG23 ILE 65 -19.648 -6.249 -2.113 531 HD11 ILE 65 HD11 ILE 65 -23.231 -8.338 -1.239 532 HD12 ILE 65 HD12 ILE 65 -22.800 -9.800 -2.126 533 HD13 ILE 65 HD13 ILE 65 -23.850 -8.594 -2.869 534 H ASN 66 HN ASN 66 -19.592 -8.742 -4.169 535 HA ASN 66 HA ASN 66 -20.184 -11.319 -5.460 536 HB2 ASN 66 HB2 ASN 66 -20.554 -8.499 -6.497 537 HB3 ASN 66 HB1 ASN 66 -20.773 -9.946 -7.473 538 HD21 ASN 66 HD21 ASN 66 -21.956 -11.469 -5.278 539 HD22 ASN 66 HD22 ASN 66 -23.555 -10.844 -5.072 540 H MET 67 HN MET 67 -19.214 -10.445 -8.033 541 HA MET 67 HA MET 67 -16.379 -10.674 -7.768 542 HB2 MET 67 HB2 MET 67 -17.599 -11.496 -9.748 543 HB3 MET 67 HB1 MET 67 -18.093 -9.858 -10.132 544 HG2 MET 67 HG2 MET 67 -15.190 -10.523 -9.961 545 HG3 MET 67 HG1 MET 67 -16.110 -10.977 -11.391 546 HE1 MET 67 HE1 MET 67 -17.332 -9.259 -12.969 547 HE2 MET 67 HE2 MET 67 -17.294 -7.508 -12.757 548 HE3 MET 67 HE3 MET 67 -18.198 -8.513 -11.626 549 H LYS 68 HN LYS 68 -18.588 -8.190 -7.433 550 HA LYS 68 HA LYS 68 -17.080 -5.979 -8.404 551 HB2 LYS 68 HB2 LYS 68 -19.428 -6.096 -6.504 552 HB3 LYS 68 HB1 LYS 68 -18.801 -4.631 -7.255 553 HG2 LYS 68 HG2 LYS 68 -19.319 -5.583 -9.472 554 HG3 LYS 68 HG1 LYS 68 -20.029 -6.985 -8.674 555 HD2 LYS 68 HD2 LYS 68 -21.692 -5.578 -7.614 556 HD3 LYS 68 HD1 LYS 68 -20.948 -4.136 -8.307 557 HE2 LYS 68 HE2 LYS 68 -21.428 -4.999 -10.560 558 HE3 LYS 68 HE1 LYS 68 -22.214 -6.402 -9.842 559 HZ1 LYS 68 HZ1 LYS 68 -23.076 -3.579 -9.536 560 HZ2 LYS 68 HZ2 LYS 68 -23.824 -4.916 -8.816 561 HZ3 LYS 68 HZ3 LYS 68 -23.826 -4.752 -10.498 562 H PHE 69 HN PHE 69 -15.053 -6.369 -7.361 563 HA PHE 69 HA PHE 69 -14.634 -4.652 -5.182 564 HB2 PHE 69 HB2 PHE 69 -13.959 -6.162 -3.434 565 HB3 PHE 69 HB1 PHE 69 -15.594 -6.590 -3.911 566 HD1 PHE 69 HD1 PHE 69 -12.576 -7.887 -2.957 567 HD2 PHE 69 HD2 PHE 69 -15.570 -8.450 -5.920 568 HE1 PHE 69 HE1 PHE 69 -11.853 -10.218 -3.236 569 HE2 PHE 69 HE2 PHE 69 -14.849 -10.784 -6.209 570 HZ PHE 69 HZ PHE 69 -12.989 -11.669 -4.862 571 H PHE 70 HN PHE 70 -12.244 -5.427 -4.234 572 HA PHE 70 HA PHE 70 -10.088 -6.034 -4.582 573 HB2 PHE 70 HB2 PHE 70 -11.289 -7.263 -6.902 574 HB3 PHE 70 HB1 PHE 70 -9.673 -6.676 -7.221 575 HD1 PHE 70 HD1 PHE 70 -8.383 -7.087 -4.636 576 HD2 PHE 70 HD2 PHE 70 -11.057 -9.584 -6.788 577 HE1 PHE 70 HE1 PHE 70 -7.435 -9.019 -3.544 578 HE2 PHE 70 HE2 PHE 70 -10.111 -11.542 -5.697 579 HZ PHE 70 HZ PHE 70 -8.281 -11.286 -4.057 580 H THR 71 HN THR 71 -8.277 -5.147 -5.258 581 HA THR 71 HA THR 71 -7.932 -3.556 -7.537 582 HB THR 71 HB THR 71 -9.029 -1.976 -5.671 583 HG1 THR 71 HG1 THR 71 -8.693 -1.004 -7.556 584 HG21 THR 71 HG21 THR 71 -6.276 -2.329 -4.803 585 HG22 THR 71 HG22 THR 71 -7.604 -1.503 -3.978 586 HG23 THR 71 HG23 THR 71 -6.634 -0.640 -5.190 587 H GLU 72 HN GLU 72 -5.712 -3.086 -7.866 588 HA GLU 72 HA GLU 72 -4.013 -4.607 -6.011 589 HB2 GLU 72 HB2 GLU 72 -4.359 -5.833 -8.081 590 HB3 GLU 72 HB1 GLU 72 -3.908 -4.429 -9.029 591 HG2 GLU 72 HG2 GLU 72 -1.635 -4.585 -8.270 592 HG3 GLU 72 HG1 GLU 72 -2.059 -5.896 -7.171 593 H VAL 73 HN VAL 73 -2.618 -3.293 -5.013 594 HA VAL 73 HA VAL 73 -1.786 -0.840 -6.415 595 HB VAL 73 HB VAL 73 -1.557 -0.964 -3.474 596 HG11 VAL 73 HG11 VAL 73 -0.761 0.974 -4.638 597 HG12 VAL 73 HG12 VAL 73 -2.188 1.415 -3.703 598 HG13 VAL 73 HG13 VAL 73 -2.316 1.177 -5.445 599 HG21 VAL 73 HG21 VAL 73 -3.927 -0.083 -3.293 600 HG22 VAL 73 HG22 VAL 73 -3.735 -1.822 -3.540 601 HG23 VAL 73 HG23 VAL 73 -4.188 -0.775 -4.899 602 H GLU 74 HN GLU 74 0.259 -1.039 -7.089 603 HA GLU 74 HA GLU 74 2.176 -2.781 -6.004 604 HB2 GLU 74 HB2 GLU 74 2.494 -0.272 -7.668 605 HB3 GLU 74 HB1 GLU 74 3.813 -1.347 -7.261 606 HG2 GLU 74 HG2 GLU 74 3.205 -1.956 -9.420 607 HG3 GLU 74 HG1 GLU 74 2.467 -3.180 -8.392 608 H ALA 75 HN ALA 75 2.419 -2.573 -3.837 609 HA ALA 75 HA ALA 75 2.479 -0.219 -2.348 610 HB1 ALA 75 HB1 ALA 75 4.031 -2.677 -1.607 611 HB2 ALA 75 HB2 ALA 75 2.266 -2.629 -1.537 612 HB3 ALA 75 HB3 ALA 75 3.217 -1.525 -0.546 613 H TYR 76 HN TYR 76 4.985 -1.921 -4.073 614 HA TYR 76 HA TYR 76 6.867 0.182 -3.284 615 HB2 TYR 76 HB2 TYR 76 7.490 -1.618 -1.914 616 HB3 TYR 76 HB1 TYR 76 7.281 -2.793 -3.213 617 HD1 TYR 76 HD1 TYR 76 9.072 -3.329 -4.667 618 HD2 TYR 76 HD2 TYR 76 9.417 0.028 -2.080 619 HE1 TYR 76 HE1 TYR 76 11.452 -3.149 -5.206 620 HE2 TYR 76 HE2 TYR 76 11.790 0.221 -2.626 621 HH TYR 76 HH TYR 76 13.624 -1.291 -3.454 622 H ARG 77 HN ARG 77 7.461 1.238 -5.003 623 HA ARG 77 HA ARG 77 8.488 -0.311 -7.284 624 HB2 ARG 77 HB2 ARG 77 7.488 2.524 -7.082 625 HB3 ARG 77 HB1 ARG 77 8.594 2.053 -8.360 626 HG2 ARG 77 HG2 ARG 77 6.996 0.405 -9.159 627 HG3 ARG 77 HG1 ARG 77 5.885 0.838 -7.859 628 HD2 ARG 77 HD2 ARG 77 5.612 3.047 -8.736 629 HD3 ARG 77 HD1 ARG 77 6.898 2.794 -9.914 630 HE ARG 77 HE ARG 77 5.023 0.849 -10.437 631 HH11 ARG 77 HH11 ARG 77 5.053 4.351 -10.339 632 HH12 ARG 77 HH12 ARG 77 3.837 4.516 -11.568 633 HH21 ARG 77 HH21 ARG 77 3.453 1.071 -12.073 634 HH22 ARG 77 HH22 ARG 77 2.931 2.654 -12.556 635 HA PRO 78 HA PRO 78 12.472 0.738 -5.712 636 HB2 PRO 78 HB2 PRO 78 13.600 0.914 -8.355 637 HB3 PRO 78 HB1 PRO 78 13.846 -0.295 -7.107 638 HG2 PRO 78 HG2 PRO 78 12.501 -0.810 -9.416 639 HG3 PRO 78 HG1 PRO 78 12.166 -1.645 -7.890 640 HD2 PRO 78 HD2 PRO 78 10.684 0.606 -9.186 641 HD3 PRO 78 HD1 PRO 78 10.054 -0.804 -8.310 642 H ASP 79 HN ASP 79 11.748 2.823 -5.073 643 HA ASP 79 HA ASP 79 12.604 5.016 -6.820 644 HB2 ASP 79 HB2 ASP 79 10.595 4.815 -4.642 645 HB3 ASP 79 HB1 ASP 79 11.387 6.358 -4.893 646 H LEU 80 HN LEU 80 14.772 5.222 -6.477 647 HA LEU 80 HA LEU 80 15.751 5.269 -3.749 648 HB2 LEU 80 HB2 LEU 80 16.975 4.047 -5.539 649 HB3 LEU 80 HB1 LEU 80 17.299 5.593 -6.290 650 HG LEU 80 HG LEU 80 18.552 6.285 -4.262 651 HD11 LEU 80 HD11 LEU 80 18.077 3.425 -3.438 652 HD12 LEU 80 HD12 LEU 80 17.493 4.872 -2.616 653 HD13 LEU 80 HD13 LEU 80 19.221 4.524 -2.669 654 HD21 LEU 80 HD21 LEU 80 20.510 4.895 -4.702 655 HD22 LEU 80 HD22 LEU 80 19.715 5.379 -6.199 656 HD23 LEU 80 HD23 LEU 80 19.498 3.745 -5.575 657 H LYS 81 HN LYS 81 14.494 7.382 -5.895 658 HA LYS 81 HA LYS 81 16.060 9.702 -5.162 659 HB2 LYS 81 HB2 LYS 81 15.037 9.539 -7.395 660 HB3 LYS 81 HB1 LYS 81 13.441 9.505 -6.664 661 HG2 LYS 81 HG2 LYS 81 13.918 11.699 -7.554 662 HG3 LYS 81 HG1 LYS 81 13.797 11.767 -5.794 663 HD2 LYS 81 HD2 LYS 81 16.256 11.694 -5.648 664 HD3 LYS 81 HD1 LYS 81 16.343 11.698 -7.411 665 HE2 LYS 81 HE2 LYS 81 15.247 13.871 -7.473 666 HE3 LYS 81 HE1 LYS 81 15.098 13.858 -5.716 667 HZ1 LYS 81 HZ1 LYS 81 17.529 13.807 -5.577 668 HZ2 LYS 81 HZ2 LYS 81 16.971 15.186 -6.375 669 HZ3 LYS 81 HZ3 LYS 81 17.632 13.907 -7.263 670 H HIS 82 HN HIS 82 13.547 7.916 -3.835 671 HA HIS 82 HA HIS 82 12.533 10.171 -2.267 672 HB2 HIS 82 HB2 HIS 82 11.523 7.344 -2.637 673 HB3 HIS 82 HB1 HIS 82 10.822 8.483 -1.487 674 HD1 HIS 82 HD1 HIS 82 11.179 7.882 -5.192 675 HD2 HIS 82 HD2 HIS 82 9.183 10.419 -2.584 676 HE1 HIS 82 HE1 HIS 82 9.558 9.159 -6.612 677 HE2 HIS 82 HE2 HIS 82 8.482 10.810 -5.039 678 HA PRO 83 HA PRO 83 15.627 9.033 0.644 679 HB2 PRO 83 HB2 PRO 83 14.706 10.569 2.742 680 HB3 PRO 83 HB1 PRO 83 15.717 11.164 1.423 681 HG2 PRO 83 HG2 PRO 83 12.768 11.390 1.804 682 HG3 PRO 83 HG1 PRO 83 13.909 12.568 1.133 683 HD2 PRO 83 HD2 PRO 83 12.271 11.085 -0.420 684 HD3 PRO 83 HD1 PRO 83 13.890 11.585 -0.952 685 H LEU 84 HN LEU 84 15.616 7.134 1.442 686 HA LEU 84 HA LEU 84 14.724 6.266 3.832 687 HB2 LEU 84 HB2 LEU 84 12.566 6.115 1.870 688 HB3 LEU 84 HB1 LEU 84 12.917 4.573 2.624 689 HG LEU 84 HG LEU 84 12.138 7.127 4.046 690 HD11 LEU 84 HD11 LEU 84 10.291 6.022 2.886 691 HD12 LEU 84 HD12 LEU 84 10.114 5.927 4.637 692 HD13 LEU 84 HD13 LEU 84 10.663 4.520 3.730 693 HD21 LEU 84 HD21 LEU 84 13.700 5.911 5.419 694 HD22 LEU 84 HD22 LEU 84 12.824 4.407 5.147 695 HD23 LEU 84 HD23 LEU 84 12.075 5.708 6.072 696 H CYS 85 HN CYS 85 14.087 4.671 0.892 697 HA CYS 85 HA CYS 85 16.544 3.745 0.228 698 HB2 CYS 85 HB2 CYS 85 16.819 2.356 2.071 699 HB3 CYS 85 HB1 CYS 85 15.144 1.856 2.037 700 H GLY 86 HN GLY 86 13.488 2.331 0.535 701 HA2 GLY 86 HA2 GLY 86 13.553 1.592 -2.311 702 HA3 GLY 86 HA1 GLY 86 12.547 0.836 -1.094 703 H LYS 87 HN LYS 87 11.201 2.999 -0.001 704 HA LYS 87 HA LYS 87 9.836 4.428 -2.080 705 HB2 LYS 87 HB2 LYS 87 9.138 1.983 -2.356 706 HB3 LYS 87 HB1 LYS 87 8.352 2.121 -0.795 707 HG2 LYS 87 HG2 LYS 87 6.671 2.389 -2.409 708 HG3 LYS 87 HG1 LYS 87 6.992 4.002 -1.784 709 HD2 LYS 87 HD2 LYS 87 8.444 4.429 -3.744 710 HD3 LYS 87 HD1 LYS 87 8.011 2.838 -4.375 711 HE2 LYS 87 HE2 LYS 87 5.605 3.583 -4.248 712 HE3 LYS 87 HE1 LYS 87 6.210 5.206 -3.926 713 HZ1 LYS 87 HZ1 LYS 87 5.868 5.171 -6.202 714 HZ2 LYS 87 HZ2 LYS 87 6.450 3.603 -6.382 715 HZ3 LYS 87 HZ3 LYS 87 7.538 4.871 -6.081 716 H ARG 88 HN ARG 88 7.634 5.273 -1.061 717 HA ARG 88 HA ARG 88 7.874 5.472 1.853 718 HB2 ARG 88 HB2 ARG 88 7.598 7.670 -0.123 719 HB3 ARG 88 HB1 ARG 88 6.635 7.804 1.344 720 HG2 ARG 88 HG2 ARG 88 8.682 7.486 2.680 721 HG3 ARG 88 HG1 ARG 88 9.619 7.464 1.186 722 HD2 ARG 88 HD2 ARG 88 9.187 9.715 0.747 723 HD3 ARG 88 HD1 ARG 88 7.822 9.764 1.864 724 HE ARG 88 HE ARG 88 9.782 9.256 3.557 725 HH11 ARG 88 HH11 ARG 88 9.817 11.470 0.841 726 HH12 ARG 88 HH12 ARG 88 10.823 12.633 1.656 727 HH21 ARG 88 HH21 ARG 88 11.120 10.762 4.603 728 HH22 ARG 88 HH22 ARG 88 11.570 12.227 3.788 729 H TYR 89 HN TYR 89 5.764 6.013 2.919 730 HA TYR 89 HA TYR 89 4.174 3.795 1.958 731 HB2 TYR 89 HB2 TYR 89 3.534 3.876 4.485 732 HB3 TYR 89 HB1 TYR 89 5.104 3.267 3.997 733 HD1 TYR 89 HD1 TYR 89 3.339 5.778 5.906 734 HD2 TYR 89 HD2 TYR 89 7.123 4.758 4.255 735 HE1 TYR 89 HE1 TYR 89 4.424 7.369 7.426 736 HE2 TYR 89 HE2 TYR 89 8.214 6.353 5.770 737 HH TYR 89 HH TYR 89 7.679 8.328 7.071 738 H GLU 90 HN GLU 90 2.539 5.147 0.631 739 HA GLU 90 HA GLU 90 0.367 4.871 2.444 740 HB2 GLU 90 HB2 GLU 90 0.643 7.182 2.873 741 HB3 GLU 90 HB1 GLU 90 0.814 7.549 1.161 742 HG2 GLU 90 HG2 GLU 90 -1.453 7.018 0.748 743 HG3 GLU 90 HG1 GLU 90 -1.675 6.400 2.382 744 H LEU 91 HN LEU 91 -0.780 3.413 1.384 745 HA LEU 91 HA LEU 91 -1.877 4.359 -1.173 746 HB2 LEU 91 HB2 LEU 91 -2.559 1.666 -0.983 747 HB3 LEU 91 HB1 LEU 91 -1.478 2.402 -2.135 748 HG LEU 91 HG LEU 91 -0.574 1.237 0.503 749 HD11 LEU 91 HD11 LEU 91 -0.368 0.079 -2.271 750 HD12 LEU 91 HD12 LEU 91 -1.492 -0.464 -1.027 751 HD13 LEU 91 HD13 LEU 91 0.246 -0.642 -0.782 752 HD21 LEU 91 HD21 LEU 91 0.938 2.952 -0.360 753 HD22 LEU 91 HD22 LEU 91 0.991 2.127 -1.919 754 HD23 LEU 91 HD23 LEU 91 1.661 1.350 -0.485 755 H SER 92 HN SER 92 -3.919 4.931 -0.979 756 HA SER 92 HA SER 92 -5.351 3.910 1.374 757 HB2 SER 92 HB2 SER 92 -6.321 6.261 1.543 758 HB3 SER 92 HB1 SER 92 -4.622 6.096 1.981 759 HG SER 92 HG SER 92 -4.163 6.761 -0.236 760 H ALA 93 HN ALA 93 -7.266 3.212 1.105 761 HA ALA 93 HA ALA 93 -8.567 3.492 -1.467 762 HB1 ALA 93 HB1 ALA 93 -9.151 1.439 -0.955 763 HB2 ALA 93 HB2 ALA 93 -10.247 2.139 0.241 764 HB3 ALA 93 HB3 ALA 93 -8.618 1.639 0.720 765 H ARG 94 HN ARG 94 -9.361 5.360 -1.687 766 HA ARG 94 HA ARG 94 -10.879 6.549 0.576 767 HB2 ARG 94 HB2 ARG 94 -9.521 8.064 -1.670 768 HB3 ARG 94 HB1 ARG 94 -10.304 8.746 -0.257 769 HG2 ARG 94 HG2 ARG 94 -8.532 7.637 1.137 770 HG3 ARG 94 HG1 ARG 94 -7.706 7.237 -0.371 771 HD2 ARG 94 HD2 ARG 94 -7.756 9.671 -0.946 772 HD3 ARG 94 HD1 ARG 94 -8.381 9.985 0.669 773 HE ARG 94 HE ARG 94 -5.862 8.530 0.529 774 HH11 ARG 94 HH11 ARG 94 -7.479 11.618 0.904 775 HH12 ARG 94 HH12 ARG 94 -6.098 12.404 1.607 776 HH21 ARG 94 HH21 ARG 94 -4.017 9.587 1.445 777 HH22 ARG 94 HH22 ARG 94 -4.147 11.255 1.911 778 H MET 95 HN MET 95 -12.463 7.779 0.201 779 HA MET 95 HA MET 95 -14.684 7.273 -0.728 780 HB2 MET 95 HB2 MET 95 -13.645 9.905 -1.742 781 HB3 MET 95 HB1 MET 95 -15.221 9.545 -1.049 782 HG2 MET 95 HG2 MET 95 -14.201 9.209 1.136 783 HG3 MET 95 HG1 MET 95 -12.595 9.537 0.476 784 HE1 MET 95 HE1 MET 95 -13.048 13.321 -0.626 785 HE2 MET 95 HE2 MET 95 -13.478 11.931 -1.621 786 HE3 MET 95 HE3 MET 95 -11.990 11.911 -0.677 787 H ASP 96 HN ASP 96 -12.433 8.622 -3.183 788 HA ASP 96 HA ASP 96 -14.237 7.674 -5.278 789 HB2 ASP 96 HB2 ASP 96 -13.419 10.027 -5.343 790 HB3 ASP 96 HB1 ASP 96 -11.782 9.413 -5.559 791 H ALA 97 HN ALA 97 -10.693 7.663 -4.727 792 HA ALA 97 HA ALA 97 -10.566 5.106 -6.178 793 HB1 ALA 97 HB1 ALA 97 -8.353 5.932 -7.173 794 HB2 ALA 97 HB2 ALA 97 -8.878 7.555 -6.651 795 HB3 ALA 97 HB3 ALA 97 -9.849 6.656 -7.816 796 H ILE 98 HN ILE 98 -8.141 4.420 -6.099 797 HA ILE 98 HA ILE 98 -7.282 4.339 -3.327 798 HB ILE 98 HB ILE 98 -6.450 2.796 -5.801 799 HG12 ILE 98 HG12 ILE 98 -8.601 2.391 -4.350 800 HG13 ILE 98 HG11 ILE 98 -7.619 1.014 -4.837 801 HG21 ILE 98 HG21 ILE 98 -4.489 3.346 -4.254 802 HG22 ILE 98 HG22 ILE 98 -4.806 1.625 -4.473 803 HG23 ILE 98 HG23 ILE 98 -5.322 2.431 -2.988 804 HD11 ILE 98 HD11 ILE 98 -7.454 2.457 -2.223 805 HD12 ILE 98 HD12 ILE 98 -6.580 0.987 -2.678 806 HD13 ILE 98 HD13 ILE 98 -8.335 0.951 -2.512 807 H TYR 99 HN TYR 99 -6.019 5.855 -2.676 808 HA TYR 99 HA TYR 99 -4.511 7.456 -4.620 809 HB2 TYR 99 HB2 TYR 99 -5.385 7.992 -1.780 810 HB3 TYR 99 HB1 TYR 99 -4.280 9.045 -2.648 811 HD1 TYR 99 HD1 TYR 99 -7.669 7.515 -3.004 812 HD2 TYR 99 HD2 TYR 99 -5.150 10.846 -3.807 813 HE1 TYR 99 HE1 TYR 99 -9.592 8.745 -3.909 814 HE2 TYR 99 HE2 TYR 99 -7.068 12.082 -4.721 815 HH TYR 99 HH TYR 99 -9.308 11.531 -5.741 816 H PHE 100 HN PHE 100 -2.403 7.192 -4.793 817 HA PHE 100 HA PHE 100 -0.965 5.871 -2.610 818 HB2 PHE 100 HB2 PHE 100 -0.841 5.093 -5.073 819 HB3 PHE 100 HB1 PHE 100 0.157 6.518 -5.330 820 HD1 PHE 100 HD1 PHE 100 2.167 6.758 -3.609 821 HD2 PHE 100 HD2 PHE 100 0.192 3.117 -4.582 822 HE1 PHE 100 HE1 PHE 100 4.138 5.494 -2.861 823 HE2 PHE 100 HE2 PHE 100 2.160 1.848 -3.837 824 HZ PHE 100 HZ PHE 100 4.133 3.034 -2.969 825 H LYS 101 HN LYS 101 0.453 7.019 -1.380 826 HA LYS 101 HA LYS 101 1.285 9.624 -2.415 827 HB2 LYS 101 HB2 LYS 101 -0.449 10.173 -0.908 828 HB3 LYS 101 HB1 LYS 101 0.176 9.100 0.331 829 HG2 LYS 101 HG2 LYS 101 0.643 11.394 0.910 830 HG3 LYS 101 HG1 LYS 101 2.154 10.557 0.556 831 HD2 LYS 101 HD2 LYS 101 2.260 11.573 -1.626 832 HD3 LYS 101 HD1 LYS 101 0.663 12.292 -1.415 833 HE2 LYS 101 HE2 LYS 101 2.353 13.975 -1.052 834 HE3 LYS 101 HE1 LYS 101 1.550 13.617 0.474 835 HZ1 LYS 101 HZ1 LYS 101 4.184 12.540 -0.372 836 HZ2 LYS 101 HZ2 LYS 101 3.423 12.237 1.107 837 HZ3 LYS 101 HZ3 LYS 101 3.949 13.797 0.732 838 H MET 102 HN MET 102 3.229 9.769 -2.578 839 HA MET 102 HA MET 102 5.045 9.127 -0.382 840 HB2 MET 102 HB2 MET 102 6.800 8.500 -2.015 841 HB3 MET 102 HB1 MET 102 5.441 7.388 -2.099 842 HG2 MET 102 HG2 MET 102 4.612 8.508 -4.079 843 HG3 MET 102 HG1 MET 102 5.914 9.691 -3.977 844 HE1 MET 102 HE1 MET 102 5.151 7.896 -6.555 845 HE2 MET 102 HE2 MET 102 6.763 7.492 -7.145 846 HE3 MET 102 HE3 MET 102 6.417 9.122 -6.567 847 H ASP 103 HN ASP 103 7.050 10.712 -0.681 848 HA ASP 103 HA ASP 103 5.927 13.242 -1.157 849 HB2 ASP 103 HB2 ASP 103 8.114 14.223 -1.043 850 HB3 ASP 103 HB1 ASP 103 7.856 13.099 0.294 851 H GLU 104 HN GLU 104 5.787 14.464 -2.723 852 HA GLU 104 HA GLU 104 6.692 14.760 -5.175 853 HB2 GLU 104 HB2 GLU 104 6.579 12.216 -5.355 854 HB3 GLU 104 HB1 GLU 104 4.839 12.415 -5.371 855 HG2 GLU 104 HG2 GLU 104 5.114 13.910 -7.362 856 HG3 GLU 104 HG1 GLU 104 6.812 13.434 -7.390 857 H ARG 105 HN ARG 105 5.431 16.284 -3.621 858 HA ARG 105 HA ARG 105 3.689 17.618 -3.135 859 HB2 ARG 105 HB2 ARG 105 2.174 18.196 -5.118 860 HB3 ARG 105 HB1 ARG 105 3.891 18.495 -5.287 861 HG2 ARG 105 HG2 ARG 105 4.081 16.407 -6.563 862 HG3 ARG 105 HG1 ARG 105 2.332 16.212 -6.456 863 HD2 ARG 105 HD2 ARG 105 2.034 18.354 -7.617 864 HD3 ARG 105 HD1 ARG 105 3.784 18.518 -7.740 865 HE ARG 105 HE ARG 105 2.641 16.109 -8.892 866 HH11 ARG 105 HH11 ARG 105 3.760 19.376 -9.417 867 HH12 ARG 105 HH12 ARG 105 4.024 19.155 -11.114 868 HH21 ARG 105 HH21 ARG 105 2.984 15.803 -11.132 869 HH22 ARG 105 HH22 ARG 105 3.571 17.123 -12.097 870 HA PRO 106 HA PRO 106 -0.256 16.051 -1.633 871 HB2 PRO 106 HB2 PRO 106 -1.850 16.971 -3.892 872 HB3 PRO 106 HB1 PRO 106 -1.887 17.503 -2.213 873 HG2 PRO 106 HG2 PRO 106 -0.483 18.675 -4.504 874 HG3 PRO 106 HG1 PRO 106 -0.877 19.403 -2.939 875 HD2 PRO 106 HD2 PRO 106 1.647 18.810 -3.603 876 HD3 PRO 106 HD1 PRO 106 1.060 18.611 -1.944 877 HA PRO 107 HA PRO 107 -0.746 12.111 -3.575 878 HB2 PRO 107 HB2 PRO 107 -3.420 11.993 -2.352 879 HB3 PRO 107 HB1 PRO 107 -2.017 10.959 -2.082 880 HG2 PRO 107 HG2 PRO 107 -2.863 12.731 -0.247 881 HG3 PRO 107 HG1 PRO 107 -1.149 12.336 -0.459 882 HD2 PRO 107 HD2 PRO 107 -2.670 14.740 -1.363 883 HD3 PRO 107 HD1 PRO 107 -1.012 14.616 -0.744 884 H GLN 108 HN GLN 108 -1.885 11.033 -5.196 885 HA GLN 108 HA GLN 108 -4.251 12.319 -6.316 886 HB2 GLN 108 HB2 GLN 108 -3.353 12.100 -8.612 887 HB3 GLN 108 HB1 GLN 108 -2.439 13.242 -7.636 888 HG2 GLN 108 HG2 GLN 108 -0.712 11.570 -7.276 889 HG3 GLN 108 HG1 GLN 108 -1.632 10.403 -8.223 890 HE21 GLN 108 HE21 GLN 108 -0.001 10.153 -9.731 891 HE22 GLN 108 HE22 GLN 108 0.390 11.374 -10.888 892 HA PRO 109 HA PRO 109 -5.807 8.189 -6.722 893 HB2 PRO 109 HB2 PRO 109 -6.767 8.973 -9.414 894 HB3 PRO 109 HB1 PRO 109 -7.680 8.355 -8.035 895 HG2 PRO 109 HG2 PRO 109 -7.844 10.916 -8.737 896 HG3 PRO 109 HG1 PRO 109 -7.815 10.443 -7.028 897 HD2 PRO 109 HD2 PRO 109 -5.620 11.565 -8.726 898 HD3 PRO 109 HD1 PRO 109 -6.039 11.926 -7.037 899 H LEU 110 HN LEU 110 -4.568 6.464 -7.194 900 HA LEU 110 HA LEU 110 -3.158 6.459 -9.768 901 HB2 LEU 110 HB2 LEU 110 -2.425 5.470 -7.083 902 HB3 LEU 110 HB1 LEU 110 -1.894 4.535 -8.457 903 HG LEU 110 HG LEU 110 -1.087 7.287 -7.604 904 HD11 LEU 110 HD11 LEU 110 0.482 4.944 -8.662 905 HD12 LEU 110 HD12 LEU 110 0.249 5.330 -6.958 906 HD13 LEU 110 HD13 LEU 110 1.139 6.440 -7.998 907 HD21 LEU 110 HD21 LEU 110 0.019 7.575 -9.824 908 HD22 LEU 110 HD22 LEU 110 -1.736 7.709 -9.859 909 HD23 LEU 110 HD23 LEU 110 -0.954 6.231 -10.423 910 H ASN 111 HN ASN 111 -5.506 4.955 -7.917 911 HA ASN 111 HA ASN 111 -6.122 3.060 -9.962 912 HB2 ASN 111 HB2 ASN 111 -4.243 1.957 -8.418 913 HB3 ASN 111 HB1 ASN 111 -5.590 1.725 -7.295 914 HD21 ASN 111 HD21 ASN 111 -4.021 -0.270 -8.691 915 HD22 ASN 111 HD22 ASN 111 -5.144 -1.196 -9.623 916 H LYS 112 HN LYS 112 -8.028 1.660 -8.833 917 HA LYS 112 HA LYS 112 -9.250 3.150 -6.728 918 HB2 LYS 112 HB2 LYS 112 -11.346 3.372 -7.957 919 HB3 LYS 112 HB1 LYS 112 -10.038 4.282 -8.658 920 HG2 LYS 112 HG2 LYS 112 -9.769 2.569 -10.382 921 HG3 LYS 112 HG1 LYS 112 -11.115 1.672 -9.672 922 HD2 LYS 112 HD2 LYS 112 -12.570 3.638 -10.062 923 HD3 LYS 112 HD1 LYS 112 -11.224 4.436 -10.876 924 HE2 LYS 112 HE2 LYS 112 -12.700 3.445 -12.510 925 HE3 LYS 112 HE1 LYS 112 -11.156 2.597 -12.509 926 HZ1 LYS 112 HZ1 LYS 112 -13.049 1.080 -12.608 927 HZ2 LYS 112 HZ2 LYS 112 -13.612 1.664 -11.126 928 HZ3 LYS 112 HZ3 LYS 112 -12.140 0.840 -11.203 929 H TRP 113 HN TRP 113 -10.470 1.983 -5.505 930 HA TRP 113 HA TRP 113 -10.421 -0.837 -5.672 931 HB2 TRP 113 HB2 TRP 113 -12.036 -0.644 -3.750 932 HB3 TRP 113 HB1 TRP 113 -10.440 0.111 -3.480 933 HD1 TRP 113 HD1 TRP 113 -10.371 2.751 -3.259 934 HE1 TRP 113 HE1 TRP 113 -12.170 4.580 -3.035 935 HE3 TRP 113 HE3 TRP 113 -14.501 -0.040 -4.403 936 HZ2 TRP 113 HZ2 TRP 113 -14.970 4.794 -3.299 937 HZ3 TRP 113 HZ3 TRP 113 -16.701 1.054 -4.393 938 HH2 TRP 113 HH2 TRP 113 -16.930 3.422 -3.851 939 H ARG 114 HN ARG 114 -12.589 -1.954 -5.190 940 HA ARG 114 HA ARG 114 -14.711 -0.933 -6.927 941 HB2 ARG 114 HB2 ARG 114 -13.519 -3.659 -6.888 942 HB3 ARG 114 HB1 ARG 114 -15.015 -3.284 -7.728 943 HG2 ARG 114 HG2 ARG 114 -13.756 -1.699 -9.156 944 HG3 ARG 114 HG1 ARG 114 -12.269 -2.199 -8.348 945 HD2 ARG 114 HD2 ARG 114 -12.686 -4.517 -9.092 946 HD3 ARG 114 HD1 ARG 114 -14.114 -3.959 -9.960 947 HE ARG 114 HE ARG 114 -12.020 -2.418 -10.880 948 HH11 ARG 114 HH11 ARG 114 -12.835 -5.821 -10.808 949 HH12 ARG 114 HH12 ARG 114 -11.932 -6.201 -12.236 950 HH21 ARG 114 HH21 ARG 114 -10.821 -2.912 -12.765 951 HH22 ARG 114 HH22 ARG 114 -10.769 -4.548 -13.341 952 H SER 115 HN SER 115 -16.689 -2.171 -6.590 953 HA SER 115 HA SER 115 -17.551 -3.744 -4.635 954 HB2 SER 115 HB2 SER 115 -16.341 -2.492 -2.941 955 HB3 SER 115 HB1 SER 115 -17.146 -1.027 -3.447 956 HG SER 115 HG SER 115 -18.401 -3.301 -2.322 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 20.472 1.502 4.719 2 H2 ALA 1 HT2 ALA 1 20.039 1.873 6.311 3 H3 ALA 1 HT3 ALA 1 21.655 1.538 5.922 4 HA ALA 1 HA ALA 1 21.737 3.505 4.523 5 HB1 ALA 1 HB1 ALA 1 19.896 5.107 4.608 6 HB2 ALA 1 HB2 ALA 1 18.970 3.997 5.619 7 HB3 ALA 1 HB3 ALA 1 19.355 3.559 3.955 8 H MET 2 HN MET 2 22.535 2.472 7.099 9 HA MET 2 HA MET 2 23.567 3.144 8.993 10 HB2 MET 2 HB2 MET 2 23.146 5.896 7.825 11 HB3 MET 2 HB1 MET 2 24.066 5.584 9.288 12 HG2 MET 2 HG2 MET 2 24.698 4.481 6.561 13 HG3 MET 2 HG1 MET 2 25.495 5.857 7.322 14 HE1 MET 2 HE1 MET 2 25.672 4.900 10.361 15 HE2 MET 2 HE2 MET 2 26.986 5.689 9.490 16 HE3 MET 2 HE3 MET 2 27.286 4.192 10.369 17 H GLY 3 HN GLY 3 21.455 5.974 8.818 18 HA2 GLY 3 HA2 GLY 3 19.993 4.919 11.161 19 HA3 GLY 3 HA1 GLY 3 20.264 6.633 10.858 20 H CYS 4 HN CYS 4 18.913 7.738 9.543 21 HA CYS 4 HA CYS 4 17.343 8.215 7.988 22 HB2 CYS 4 HB2 CYS 4 18.108 5.435 7.153 23 HB3 CYS 4 HB1 CYS 4 16.889 6.353 6.277 24 H LYS 5 HN LYS 5 15.269 7.009 6.885 25 HA LYS 5 HA LYS 5 13.516 6.465 9.128 26 HB2 LYS 5 HB2 LYS 5 13.338 8.190 7.077 27 HB3 LYS 5 HB1 LYS 5 12.370 6.841 6.547 28 HG2 LYS 5 HG2 LYS 5 11.978 8.244 9.163 29 HG3 LYS 5 HG1 LYS 5 11.082 8.622 7.693 30 HD2 LYS 5 HD2 LYS 5 10.277 6.282 7.634 31 HD3 LYS 5 HD1 LYS 5 11.105 5.987 9.164 32 HE2 LYS 5 HE2 LYS 5 8.722 6.433 9.495 33 HE3 LYS 5 HE1 LYS 5 9.728 7.665 10.254 34 HZ1 LYS 5 HZ1 LYS 5 9.279 9.154 8.457 35 HZ2 LYS 5 HZ2 LYS 5 7.803 8.572 9.036 36 HZ3 LYS 5 HZ3 LYS 5 8.445 7.965 7.596 37 H GLU 6 HN GLU 6 12.572 4.453 9.375 38 HA GLU 6 HA GLU 6 12.903 2.308 7.621 39 HB2 GLU 6 HB2 GLU 6 10.407 2.818 9.244 40 HB3 GLU 6 HB1 GLU 6 11.050 1.268 8.708 41 HG2 GLU 6 HG2 GLU 6 11.760 1.226 10.843 42 HG3 GLU 6 HG1 GLU 6 13.128 2.047 10.089 43 H ILE 7 HN ILE 7 12.145 2.020 5.611 44 HA ILE 7 HA ILE 7 10.356 3.999 4.508 45 HB ILE 7 HB ILE 7 11.587 1.576 3.222 46 HG12 ILE 7 HG12 ILE 7 13.311 3.047 3.592 47 HG13 ILE 7 HG11 ILE 7 12.813 3.434 1.958 48 HG21 ILE 7 HG21 ILE 7 10.089 3.820 1.937 49 HG22 ILE 7 HG22 ILE 7 9.505 2.162 2.102 50 HG23 ILE 7 HG23 ILE 7 10.917 2.511 1.103 51 HD11 ILE 7 HD11 ILE 7 13.153 5.467 3.138 52 HD12 ILE 7 HD12 ILE 7 12.132 4.913 4.466 53 HD13 ILE 7 HD13 ILE 7 11.421 5.243 2.889 54 H GLU 8 HN GLU 8 8.246 3.874 4.589 55 HA GLU 8 HA GLU 8 7.072 1.248 5.125 56 HB2 GLU 8 HB2 GLU 8 5.479 2.870 6.609 57 HB3 GLU 8 HB1 GLU 8 6.816 1.919 7.226 58 HG2 GLU 8 HG2 GLU 8 8.288 3.817 7.050 59 HG3 GLU 8 HG1 GLU 8 6.961 4.792 6.406 60 H ILE 9 HN ILE 9 5.068 0.826 4.491 61 HA ILE 9 HA ILE 9 3.862 2.705 2.571 62 HB ILE 9 HB ILE 9 2.820 0.027 2.388 63 HG12 ILE 9 HG12 ILE 9 5.153 -0.512 3.130 64 HG13 ILE 9 HG11 ILE 9 4.595 -1.216 1.609 65 HG21 ILE 9 HG21 ILE 9 2.924 2.034 0.738 66 HG22 ILE 9 HG22 ILE 9 2.872 0.359 0.184 67 HG23 ILE 9 HG23 ILE 9 4.414 1.210 0.251 68 HD11 ILE 9 HD11 ILE 9 5.791 0.324 0.363 69 HD12 ILE 9 HD12 ILE 9 6.893 -0.312 1.582 70 HD13 ILE 9 HD13 ILE 9 6.175 1.288 1.778 71 H VAL 10 HN VAL 10 2.184 3.706 3.510 72 HA VAL 10 HA VAL 10 0.704 2.373 5.630 73 HB VAL 10 HB VAL 10 0.595 4.427 6.449 74 HG11 VAL 10 HG11 VAL 10 2.452 5.138 5.076 75 HG12 VAL 10 HG12 VAL 10 1.279 6.445 5.228 76 HG13 VAL 10 HG13 VAL 10 1.359 5.498 3.744 77 HG21 VAL 10 HG21 VAL 10 -1.670 4.280 5.585 78 HG22 VAL 10 HG22 VAL 10 -1.139 5.042 4.079 79 HG23 VAL 10 HG23 VAL 10 -1.093 5.952 5.589 80 H ILE 11 HN ILE 11 -1.105 1.326 5.345 81 HA ILE 11 HA ILE 11 -2.558 1.704 2.840 82 HB ILE 11 HB ILE 11 -2.873 -0.513 4.868 83 HG12 ILE 11 HG12 ILE 11 -0.666 -0.621 3.870 84 HG13 ILE 11 HG11 ILE 11 -1.680 -1.925 3.248 85 HG21 ILE 11 HG21 ILE 11 -3.880 -0.304 2.044 86 HG22 ILE 11 HG22 ILE 11 -4.849 -0.061 3.495 87 HG23 ILE 11 HG23 ILE 11 -4.155 -1.649 3.156 88 HD11 ILE 11 HD11 ILE 11 -2.061 -0.764 1.237 89 HD12 ILE 11 HD12 ILE 11 -0.319 -0.743 1.542 90 HD13 ILE 11 HD13 ILE 11 -1.303 0.690 1.873 91 H LYS 12 HN LYS 12 -4.077 3.126 3.007 92 HA LYS 12 HA LYS 12 -5.539 3.418 5.568 93 HB2 LYS 12 HB2 LYS 12 -4.210 5.367 4.052 94 HB3 LYS 12 HB1 LYS 12 -5.923 5.592 3.653 95 HG2 LYS 12 HG2 LYS 12 -4.808 5.542 6.439 96 HG3 LYS 12 HG1 LYS 12 -5.132 7.004 5.513 97 HD2 LYS 12 HD2 LYS 12 -7.506 6.287 5.342 98 HD3 LYS 12 HD1 LYS 12 -7.131 4.944 6.424 99 HE2 LYS 12 HE2 LYS 12 -8.086 6.748 7.701 100 HE3 LYS 12 HE1 LYS 12 -6.387 6.568 8.126 101 HZ1 LYS 12 HZ1 LYS 12 -7.546 8.627 6.324 102 HZ2 LYS 12 HZ2 LYS 12 -5.892 8.423 6.603 103 HZ3 LYS 12 HZ3 LYS 12 -6.910 8.882 7.870 104 H ASN 13 HN ASN 13 -7.793 3.508 5.453 105 HA ASN 13 HA ASN 13 -8.997 3.587 2.781 106 HB2 ASN 13 HB2 ASN 13 -9.201 1.273 3.590 107 HB3 ASN 13 HB1 ASN 13 -9.926 1.852 5.083 108 HD21 ASN 13 HD21 ASN 13 -11.749 0.670 4.729 109 HD22 ASN 13 HD22 ASN 13 -12.921 1.091 3.532 110 H THR 14 HN THR 14 -10.784 4.953 2.682 111 HA THR 14 HA THR 14 -12.089 5.911 4.945 112 HB THR 14 HB THR 14 -9.999 6.879 5.602 113 HG1 THR 14 HG1 THR 14 -11.763 8.881 4.570 114 HG21 THR 14 HG21 THR 14 -8.978 8.600 4.130 115 HG22 THR 14 HG22 THR 14 -10.109 8.076 2.874 116 HG23 THR 14 HG23 THR 14 -8.903 6.941 3.522 117 H LEU 15 HN LEU 15 -13.337 5.266 2.683 118 HA LEU 15 HA LEU 15 -14.009 7.558 1.236 119 HB2 LEU 15 HB2 LEU 15 -15.648 5.088 1.803 120 HB3 LEU 15 HB1 LEU 15 -16.201 6.390 0.800 121 HG LEU 15 HG LEU 15 -14.457 6.014 -0.774 122 HD11 LEU 15 HD11 LEU 15 -12.719 5.541 0.494 123 HD12 LEU 15 HD12 LEU 15 -12.970 4.090 -0.492 124 HD13 LEU 15 HD13 LEU 15 -13.464 4.104 1.219 125 HD21 LEU 15 HD21 LEU 15 -16.545 4.610 -0.875 126 HD22 LEU 15 HD22 LEU 15 -15.607 3.326 -0.113 127 HD23 LEU 15 HD23 LEU 15 -15.136 3.940 -1.694 128 H GLY 16 HN GLY 16 -15.049 6.121 4.238 129 HA2 GLY 16 HA2 GLY 16 -15.531 8.477 5.549 130 HA3 GLY 16 HA1 GLY 16 -17.096 7.972 4.903 131 HA PRO 17 HA PRO 17 -16.163 6.506 9.209 132 HB2 PRO 17 HB2 PRO 17 -19.076 6.719 9.584 133 HB3 PRO 17 HB1 PRO 17 -17.765 7.439 10.518 134 HG2 PRO 17 HG2 PRO 17 -19.274 8.930 8.903 135 HG3 PRO 17 HG1 PRO 17 -17.534 9.231 9.065 136 HD2 PRO 17 HD2 PRO 17 -19.011 7.798 6.884 137 HD3 PRO 17 HD1 PRO 17 -17.693 8.981 6.757 138 H SER 18 HN SER 18 -17.850 4.974 6.805 139 HA SER 18 HA SER 18 -17.991 2.538 8.442 140 HB2 SER 18 HB2 SER 18 -19.917 1.896 6.800 141 HB3 SER 18 HB1 SER 18 -20.264 2.976 8.150 142 HG SER 18 HG SER 18 -20.855 3.489 5.746 143 H ARG 19 HN ARG 19 -15.717 3.130 7.150 144 HA ARG 19 HA ARG 19 -15.799 1.494 4.725 145 HB2 ARG 19 HB2 ARG 19 -14.232 3.851 5.451 146 HB3 ARG 19 HB1 ARG 19 -13.531 2.772 4.334 147 HG2 ARG 19 HG2 ARG 19 -16.084 4.304 4.035 148 HG3 ARG 19 HG1 ARG 19 -14.591 4.496 3.110 149 HD2 ARG 19 HD2 ARG 19 -15.927 3.269 1.666 150 HD3 ARG 19 HD1 ARG 19 -14.966 2.022 2.447 151 HE ARG 19 HE ARG 19 -17.184 2.107 3.980 152 HH11 ARG 19 HH11 ARG 19 -16.729 1.868 0.514 153 HH12 ARG 19 HH12 ARG 19 -18.183 0.961 0.260 154 HH21 ARG 19 HH21 ARG 19 -19.076 0.907 3.652 155 HH22 ARG 19 HH22 ARG 19 -19.509 0.398 2.051 156 H ILE 20 HN ILE 20 -14.692 -0.088 4.548 157 HA ILE 20 HA ILE 20 -12.246 -0.677 5.972 158 HB ILE 20 HB ILE 20 -14.561 -2.615 6.173 159 HG12 ILE 20 HG12 ILE 20 -14.227 -0.601 7.811 160 HG13 ILE 20 HG11 ILE 20 -14.725 -2.170 8.410 161 HG21 ILE 20 HG21 ILE 20 -13.037 -4.079 7.314 162 HG22 ILE 20 HG22 ILE 20 -11.743 -2.900 7.142 163 HG23 ILE 20 HG23 ILE 20 -12.403 -3.700 5.713 164 HD11 ILE 20 HD11 ILE 20 -13.032 -1.480 9.842 165 HD12 ILE 20 HD12 ILE 20 -12.052 -0.859 8.515 166 HD13 ILE 20 HD13 ILE 20 -12.252 -2.601 8.720 167 H LEU 21 HN LEU 21 -10.905 -1.270 4.393 168 HA LEU 21 HA LEU 21 -11.909 -3.128 2.333 169 HB2 LEU 21 HB2 LEU 21 -9.882 -0.939 2.238 170 HB3 LEU 21 HB1 LEU 21 -9.503 -2.395 1.313 171 HG LEU 21 HG LEU 21 -10.532 -0.660 -0.072 172 HD11 LEU 21 HD11 LEU 21 -10.844 -3.048 -0.586 173 HD12 LEU 21 HD12 LEU 21 -12.176 -2.042 -1.149 174 HD13 LEU 21 HD13 LEU 21 -12.364 -3.018 0.307 175 HD21 LEU 21 HD21 LEU 21 -12.847 -0.014 0.202 176 HD22 LEU 21 HD22 LEU 21 -11.933 0.395 1.653 177 HD23 LEU 21 HD23 LEU 21 -12.984 -1.021 1.643 178 H GLN 22 HN GLN 22 -10.334 -4.905 1.825 179 HA GLN 22 HA GLN 22 -8.669 -5.502 4.171 180 HB2 GLN 22 HB2 GLN 22 -10.527 -7.000 4.171 181 HB3 GLN 22 HB1 GLN 22 -10.359 -7.312 2.450 182 HG2 GLN 22 HG2 GLN 22 -8.175 -8.369 2.922 183 HG3 GLN 22 HG1 GLN 22 -8.511 -8.194 4.644 184 HE21 GLN 22 HE21 GLN 22 -9.414 -9.796 1.698 185 HE22 GLN 22 HE22 GLN 22 -10.350 -11.054 2.423 186 H TYR 23 HN TYR 23 -6.561 -5.292 3.619 187 HA TYR 23 HA TYR 23 -5.858 -5.752 0.826 188 HB2 TYR 23 HB2 TYR 23 -3.974 -4.368 1.086 189 HB3 TYR 23 HB1 TYR 23 -5.295 -3.547 1.888 190 HD1 TYR 23 HD1 TYR 23 -5.477 -3.875 4.433 191 HD2 TYR 23 HD2 TYR 23 -1.975 -4.693 2.198 192 HE1 TYR 23 HE1 TYR 23 -4.144 -3.701 6.495 193 HE2 TYR 23 HE2 TYR 23 -0.613 -4.530 4.243 194 HH TYR 23 HH TYR 23 -0.740 -3.497 6.463 195 H HIS 24 HN HIS 24 -4.882 -7.469 0.229 196 HA HIS 24 HA HIS 24 -3.372 -9.053 2.191 197 HB2 HIS 24 HB2 HIS 24 -5.131 -10.251 0.972 198 HB3 HIS 24 HB1 HIS 24 -4.392 -9.803 -0.558 199 HD1 HIS 24 HD1 HIS 24 -1.935 -10.667 1.992 200 HD2 HIS 24 HD2 HIS 24 -4.153 -12.698 -0.890 201 HE1 HIS 24 HE1 HIS 24 -0.812 -12.903 1.715 202 HE2 HIS 24 HE2 HIS 24 -2.295 -14.181 0.129 203 H CYS 25 HN CYS 25 -1.306 -8.337 2.222 204 HA CYS 25 HA CYS 25 -0.156 -7.544 -0.322 205 HB2 CYS 25 HB2 CYS 25 -0.297 -6.158 1.996 206 HB3 CYS 25 HB1 CYS 25 1.291 -6.888 2.150 207 H ARG 26 HN ARG 26 1.087 -8.927 -1.329 208 HA ARG 26 HA ARG 26 3.424 -9.923 -0.027 209 HB2 ARG 26 HB2 ARG 26 3.115 -12.300 -0.724 210 HB3 ARG 26 HB1 ARG 26 2.126 -11.762 0.623 211 HG2 ARG 26 HG2 ARG 26 0.180 -11.660 -0.758 212 HG3 ARG 26 HG1 ARG 26 1.135 -11.909 -2.221 213 HD2 ARG 26 HD2 ARG 26 0.882 -13.904 0.021 214 HD3 ARG 26 HD1 ARG 26 -0.080 -13.936 -1.456 215 HE ARG 26 HE ARG 26 2.092 -14.189 -2.657 216 HH11 ARG 26 HH11 ARG 26 1.818 -15.156 0.704 217 HH12 ARG 26 HH12 ARG 26 3.064 -16.353 0.586 218 HH21 ARG 26 HH21 ARG 26 3.732 -15.761 -2.802 219 HH22 ARG 26 HH22 ARG 26 4.162 -16.687 -1.399 220 H SER 27 HN SER 27 4.710 -8.845 -1.449 221 HA SER 27 HA SER 27 5.718 -10.127 -3.678 222 HB2 SER 27 HB2 SER 27 4.022 -7.773 -4.514 223 HB3 SER 27 HB1 SER 27 5.268 -8.509 -5.506 224 HG SER 27 HG SER 27 3.168 -10.073 -4.466 225 H GLY 28 HN GLY 28 7.811 -9.502 -2.890 226 HA2 GLY 28 HA2 GLY 28 9.185 -7.321 -3.088 227 HA3 GLY 28 HA1 GLY 28 7.949 -6.705 -2.015 228 H ASN 29 HN ASN 29 9.355 -9.893 -1.680 229 HA ASN 29 HA ASN 29 10.917 -10.764 -0.323 230 HB2 ASN 29 HB2 ASN 29 11.784 -7.901 -0.187 231 HB3 ASN 29 HB1 ASN 29 12.622 -9.168 0.704 232 HD21 ASN 29 HD21 ASN 29 13.819 -10.681 -0.398 233 HD22 ASN 29 HD22 ASN 29 14.226 -10.520 -2.070 234 H THR 30 HN THR 30 8.355 -9.014 1.048 235 HA THR 30 HA THR 30 9.169 -10.128 3.638 236 HB THR 30 HB THR 30 8.228 -7.277 3.588 237 HG1 THR 30 HG1 THR 30 10.941 -8.051 3.882 238 HG21 THR 30 HG21 THR 30 8.037 -8.505 5.710 239 HG22 THR 30 HG22 THR 30 9.240 -7.216 5.802 240 HG23 THR 30 HG23 THR 30 9.757 -8.896 5.631 241 H ASN 31 HN ASN 31 7.529 -11.469 4.118 242 HA ASN 31 HA ASN 31 4.913 -11.368 3.034 243 HB2 ASN 31 HB2 ASN 31 6.075 -13.414 3.986 244 HB3 ASN 31 HB1 ASN 31 5.727 -12.784 5.588 245 HD21 ASN 31 HD21 ASN 31 4.413 -14.494 6.148 246 HD22 ASN 31 HD22 ASN 31 2.847 -14.733 5.453 247 H VAL 32 HN VAL 32 2.925 -10.827 3.919 248 HA VAL 32 HA VAL 32 2.975 -9.362 6.485 249 HB VAL 32 HB VAL 32 0.806 -8.877 4.506 250 HG11 VAL 32 HG11 VAL 32 0.809 -6.657 5.536 251 HG12 VAL 32 HG12 VAL 32 2.170 -7.135 6.551 252 HG13 VAL 32 HG13 VAL 32 0.609 -7.938 6.732 253 HG21 VAL 32 HG21 VAL 32 3.591 -7.816 4.325 254 HG22 VAL 32 HG22 VAL 32 2.208 -6.943 3.672 255 HG23 VAL 32 HG23 VAL 32 2.598 -8.551 3.065 256 H GLY 33 HN GLY 33 0.484 -10.733 4.328 257 HA2 GLY 33 HA2 GLY 33 -0.829 -12.630 5.335 258 HA3 GLY 33 HA1 GLY 33 -0.966 -11.553 6.730 259 H VAL 34 HN VAL 34 -3.187 -11.250 6.560 260 HA VAL 34 HA VAL 34 -3.996 -9.617 4.265 261 HB VAL 34 HB VAL 34 -5.665 -11.911 5.297 262 HG11 VAL 34 HG11 VAL 34 -6.908 -10.041 4.330 263 HG12 VAL 34 HG12 VAL 34 -7.002 -11.471 3.299 264 HG13 VAL 34 HG13 VAL 34 -5.926 -10.139 2.870 265 HG21 VAL 34 HG21 VAL 34 -4.687 -13.312 3.828 266 HG22 VAL 34 HG22 VAL 34 -3.344 -12.147 3.846 267 HG23 VAL 34 HG23 VAL 34 -4.582 -12.068 2.582 268 H GLN 35 HN GLN 35 -4.133 -7.790 5.584 269 HA GLN 35 HA GLN 35 -5.797 -7.906 7.992 270 HB2 GLN 35 HB2 GLN 35 -3.457 -6.339 7.157 271 HB3 GLN 35 HB1 GLN 35 -4.667 -5.479 8.102 272 HG2 GLN 35 HG2 GLN 35 -2.929 -6.431 9.476 273 HG3 GLN 35 HG1 GLN 35 -4.495 -7.102 9.871 274 HE21 GLN 35 HE21 GLN 35 -1.342 -7.707 8.577 275 HE22 GLN 35 HE22 GLN 35 -1.466 -9.432 8.542 276 H TYR 36 HN TYR 36 -7.131 -5.976 8.469 277 HA TYR 36 HA TYR 36 -8.433 -4.962 6.046 278 HB2 TYR 36 HB2 TYR 36 -9.344 -4.843 8.927 279 HB3 TYR 36 HB1 TYR 36 -10.238 -4.230 7.553 280 HD1 TYR 36 HD1 TYR 36 -8.766 -7.341 8.907 281 HD2 TYR 36 HD2 TYR 36 -11.755 -5.618 6.436 282 HE1 TYR 36 HE1 TYR 36 -9.808 -9.551 8.636 283 HE2 TYR 36 HE2 TYR 36 -12.805 -7.814 6.149 284 HH TYR 36 HH TYR 36 -12.094 -10.451 8.087 285 H LEU 37 HN LEU 37 -8.491 -2.854 5.533 286 HA LEU 37 HA LEU 37 -6.990 -1.011 7.259 287 HB2 LEU 37 HB2 LEU 37 -6.958 0.480 5.208 288 HB3 LEU 37 HB1 LEU 37 -5.975 -0.967 5.136 289 HG LEU 37 HG LEU 37 -8.722 -1.033 3.950 290 HD11 LEU 37 HD11 LEU 37 -7.382 1.038 3.177 291 HD12 LEU 37 HD12 LEU 37 -8.074 -0.028 1.959 292 HD13 LEU 37 HD13 LEU 37 -6.361 -0.134 2.348 293 HD21 LEU 37 HD21 LEU 37 -6.089 -2.306 3.229 294 HD22 LEU 37 HD22 LEU 37 -7.625 -2.586 2.415 295 HD23 LEU 37 HD23 LEU 37 -7.414 -3.085 4.092 296 H ASN 38 HN ASN 38 -8.075 0.458 8.335 297 HA ASN 38 HA ASN 38 -10.968 0.503 7.933 298 HB2 ASN 38 HB2 ASN 38 -9.677 1.703 10.339 299 HB3 ASN 38 HB1 ASN 38 -11.200 0.839 10.204 300 HD21 ASN 38 HD21 ASN 38 -7.802 0.577 10.725 301 HD22 ASN 38 HD22 ASN 38 -7.781 -1.102 11.140 302 H PHE 39 HN PHE 39 -12.133 2.419 7.926 303 HA PHE 39 HA PHE 39 -10.918 4.811 7.036 304 HB2 PHE 39 HB2 PHE 39 -13.167 4.714 6.551 305 HB3 PHE 39 HB1 PHE 39 -13.589 4.143 8.155 306 HD1 PHE 39 HD1 PHE 39 -12.744 7.106 6.150 307 HD2 PHE 39 HD2 PHE 39 -13.921 5.677 9.989 308 HE1 PHE 39 HE1 PHE 39 -13.284 9.403 6.846 309 HE2 PHE 39 HE2 PHE 39 -14.463 7.975 10.682 310 HZ PHE 39 HZ PHE 39 -14.145 9.839 9.110 311 H LYS 40 HN LYS 40 -9.899 6.380 8.117 312 HA LYS 40 HA LYS 40 -8.975 7.591 9.810 313 HB2 LYS 40 HB2 LYS 40 -11.318 7.543 10.754 314 HB3 LYS 40 HB1 LYS 40 -10.818 6.146 11.691 315 HG2 LYS 40 HG2 LYS 40 -10.770 8.174 13.024 316 HG3 LYS 40 HG1 LYS 40 -9.156 7.485 12.846 317 HD2 LYS 40 HD2 LYS 40 -8.573 9.121 11.196 318 HD3 LYS 40 HD1 LYS 40 -10.232 9.721 11.138 319 HE2 LYS 40 HE2 LYS 40 -8.750 11.182 12.447 320 HE3 LYS 40 HE1 LYS 40 -10.061 10.512 13.414 321 HZ1 LYS 40 HZ1 LYS 40 -7.982 10.420 14.609 322 HZ2 LYS 40 HZ2 LYS 40 -7.261 9.532 13.365 323 HZ3 LYS 40 HZ3 LYS 40 -8.514 8.852 14.269 324 H GLY 41 HN GLY 41 -8.704 4.395 9.337 325 HA2 GLY 41 HA2 GLY 41 -6.731 4.080 11.504 326 HA3 GLY 41 HA1 GLY 41 -7.806 2.785 11.032 327 H THR 42 HN THR 42 -4.848 4.288 10.515 328 HA THR 42 HA THR 42 -4.291 3.223 7.886 329 HB THR 42 HB THR 42 -1.874 3.830 8.715 330 HG1 THR 42 HG1 THR 42 -2.613 5.829 10.227 331 HG21 THR 42 HG21 THR 42 -2.244 6.157 8.035 332 HG22 THR 42 HG22 THR 42 -3.985 5.904 8.161 333 HG23 THR 42 HG23 THR 42 -3.045 5.008 6.962 334 H ARG 43 HN ARG 43 -3.130 1.419 7.399 335 HA ARG 43 HA ARG 43 -2.041 -0.178 9.614 336 HB2 ARG 43 HB2 ARG 43 -3.318 -1.170 7.085 337 HB3 ARG 43 HB1 ARG 43 -2.417 -2.193 8.184 338 HG2 ARG 43 HG2 ARG 43 -5.050 -0.825 8.641 339 HG3 ARG 43 HG1 ARG 43 -4.688 -2.552 8.677 340 HD2 ARG 43 HD2 ARG 43 -3.909 -0.444 10.677 341 HD3 ARG 43 HD1 ARG 43 -4.932 -1.854 10.931 342 HE ARG 43 HE ARG 43 -2.781 -3.156 10.458 343 HH11 ARG 43 HH11 ARG 43 -2.878 -0.003 11.976 344 HH12 ARG 43 HH12 ARG 43 -1.401 -0.238 12.856 345 HH21 ARG 43 HH21 ARG 43 -0.834 -3.473 11.615 346 HH22 ARG 43 HH22 ARG 43 -0.242 -2.214 12.655 347 H ILE 44 HN ILE 44 0.147 -0.057 9.495 348 HA ILE 44 HA ILE 44 1.117 0.781 6.865 349 HB ILE 44 HB ILE 44 2.298 1.541 9.530 350 HG12 ILE 44 HG12 ILE 44 1.541 3.835 8.432 351 HG13 ILE 44 HG11 ILE 44 0.364 2.794 7.653 352 HG21 ILE 44 HG21 ILE 44 3.853 1.333 7.530 353 HG22 ILE 44 HG22 ILE 44 3.796 2.920 8.305 354 HG23 ILE 44 HG23 ILE 44 2.912 2.640 6.805 355 HD11 ILE 44 HD11 ILE 44 0.735 2.831 10.627 356 HD12 ILE 44 HD12 ILE 44 -0.623 2.198 9.692 357 HD13 ILE 44 HD13 ILE 44 -0.351 3.938 9.793 358 H ILE 45 HN ILE 45 2.285 -0.430 5.834 359 HA ILE 45 HA ILE 45 3.836 -2.607 6.768 360 HB ILE 45 HB ILE 45 3.706 -1.072 4.263 361 HG12 ILE 45 HG12 ILE 45 2.786 -3.807 4.966 362 HG13 ILE 45 HG11 ILE 45 1.782 -2.370 4.920 363 HG21 ILE 45 HG21 ILE 45 5.933 -2.002 4.403 364 HG22 ILE 45 HG22 ILE 45 4.973 -2.858 3.195 365 HG23 ILE 45 HG23 ILE 45 5.248 -3.583 4.776 366 HD11 ILE 45 HD11 ILE 45 2.964 -3.902 2.718 367 HD12 ILE 45 HD12 ILE 45 2.804 -2.153 2.540 368 HD13 ILE 45 HD13 ILE 45 1.370 -3.150 2.852 369 H LYS 46 HN LYS 46 6.206 -2.670 6.807 370 HA LYS 46 HA LYS 46 7.592 -0.313 6.040 371 HB2 LYS 46 HB2 LYS 46 8.552 0.287 8.238 372 HB3 LYS 46 HB1 LYS 46 6.808 0.480 8.203 373 HG2 LYS 46 HG2 LYS 46 6.548 -1.648 9.381 374 HG3 LYS 46 HG1 LYS 46 8.306 -1.795 9.460 375 HD2 LYS 46 HD2 LYS 46 8.477 0.176 10.807 376 HD3 LYS 46 HD1 LYS 46 6.766 0.534 10.584 377 HE2 LYS 46 HE2 LYS 46 7.212 -0.430 12.790 378 HE3 LYS 46 HE1 LYS 46 6.162 -1.464 11.823 379 HZ1 LYS 46 HZ1 LYS 46 7.897 -2.702 13.003 380 HZ2 LYS 46 HZ2 LYS 46 9.085 -1.856 12.150 381 HZ3 LYS 46 HZ3 LYS 46 8.022 -2.880 11.326 382 H PHE 47 HN PHE 47 9.844 -0.437 6.092 383 HA PHE 47 HA PHE 47 11.113 -2.845 7.133 384 HB2 PHE 47 HB2 PHE 47 12.394 -2.524 4.649 385 HB3 PHE 47 HB1 PHE 47 11.415 -3.888 5.172 386 HD1 PHE 47 HD1 PHE 47 11.123 -0.557 3.523 387 HD2 PHE 47 HD2 PHE 47 9.559 -4.454 4.107 388 HE1 PHE 47 HE1 PHE 47 9.494 -0.164 1.718 389 HE2 PHE 47 HE2 PHE 47 7.925 -4.095 2.323 390 HZ PHE 47 HZ PHE 47 7.886 -1.937 1.112 391 H LYS 48 HN LYS 48 13.083 -2.370 8.003 392 HA LYS 48 HA LYS 48 14.024 0.392 7.553 393 HB2 LYS 48 HB2 LYS 48 13.128 0.268 9.723 394 HB3 LYS 48 HB1 LYS 48 13.972 -1.238 10.079 395 HG2 LYS 48 HG2 LYS 48 16.112 -0.044 9.960 396 HG3 LYS 48 HG1 LYS 48 15.245 1.457 9.634 397 HD2 LYS 48 HD2 LYS 48 14.151 1.312 11.804 398 HD3 LYS 48 HD1 LYS 48 14.967 -0.221 12.125 399 HE2 LYS 48 HE2 LYS 48 16.070 1.685 13.227 400 HE3 LYS 48 HE1 LYS 48 17.120 0.870 12.070 401 HZ1 LYS 48 HZ1 LYS 48 17.288 3.265 11.874 402 HZ2 LYS 48 HZ2 LYS 48 15.631 3.391 11.574 403 HZ3 LYS 48 HZ3 LYS 48 16.636 2.607 10.460 404 H ASP 49 HN ASP 49 15.648 0.047 6.124 405 HA ASP 49 HA ASP 49 17.636 -0.432 5.270 406 HB2 ASP 49 HB2 ASP 49 18.472 -1.308 8.016 407 HB3 ASP 49 HB1 ASP 49 19.460 -0.698 6.711 408 H ASP 50 HN ASP 50 15.818 -2.870 6.676 409 HA ASP 50 HA ASP 50 17.687 -5.007 6.250 410 HB2 ASP 50 HB2 ASP 50 15.625 -6.453 6.793 411 HB3 ASP 50 HB1 ASP 50 16.295 -5.441 8.063 412 H GLY 51 HN GLY 51 14.358 -4.860 5.035 413 HA2 GLY 51 HA2 GLY 51 13.732 -5.028 2.751 414 HA3 GLY 51 HA1 GLY 51 15.367 -5.559 2.364 415 H THR 52 HN THR 52 15.825 -7.509 4.124 416 HA THR 52 HA THR 52 15.541 -9.684 4.663 417 HB THR 52 HB THR 52 13.447 -10.433 5.475 418 HG1 THR 52 HG1 THR 52 12.465 -8.596 3.694 419 HG21 THR 52 HG21 THR 52 13.814 -7.507 6.091 420 HG22 THR 52 HG22 THR 52 14.639 -8.849 6.881 421 HG23 THR 52 HG23 THR 52 12.898 -8.652 7.069 422 H GLU 53 HN GLU 53 14.484 -11.785 4.076 423 HA GLU 53 HA GLU 53 13.323 -11.805 1.397 424 HB2 GLU 53 HB2 GLU 53 15.399 -13.641 2.585 425 HB3 GLU 53 HB1 GLU 53 14.434 -14.081 1.193 426 HG2 GLU 53 HG2 GLU 53 15.283 -12.028 0.050 427 HG3 GLU 53 HG1 GLU 53 16.376 -11.803 1.414 428 H ARG 54 HN ARG 54 12.113 -11.554 3.899 429 HA ARG 54 HA ARG 54 11.187 -13.906 5.084 430 HB2 ARG 54 HB2 ARG 54 11.048 -11.796 6.197 431 HB3 ARG 54 HB1 ARG 54 10.075 -11.112 4.915 432 HG2 ARG 54 HG2 ARG 54 8.198 -12.492 5.552 433 HG3 ARG 54 HG1 ARG 54 9.182 -13.296 6.779 434 HD2 ARG 54 HD2 ARG 54 9.420 -11.290 8.028 435 HD3 ARG 54 HD1 ARG 54 8.733 -10.325 6.728 436 HE ARG 54 HE ARG 54 6.884 -12.269 7.669 437 HH11 ARG 54 HH11 ARG 54 8.341 -9.185 8.436 438 HH12 ARG 54 HH12 ARG 54 6.978 -8.619 9.347 439 HH21 ARG 54 HH21 ARG 54 5.068 -11.526 8.876 440 HH22 ARG 54 HH22 ARG 54 5.120 -9.952 9.602 441 H SER 55 HN SER 55 9.743 -11.898 2.513 442 HA SER 55 HA SER 55 8.977 -14.030 0.965 443 HB2 SER 55 HB2 SER 55 7.268 -14.417 2.797 444 HB3 SER 55 HB1 SER 55 6.549 -12.875 2.320 445 HG SER 55 HG SER 55 6.229 -15.280 1.205 446 H ARG 56 HN ARG 56 6.775 -11.290 1.567 447 HA ARG 56 HA ARG 56 7.771 -9.475 -0.307 448 HB2 ARG 56 HB2 ARG 56 6.566 -10.343 -2.191 449 HB3 ARG 56 HB1 ARG 56 7.656 -11.544 -1.540 450 HG2 ARG 56 HG2 ARG 56 5.723 -12.592 -0.411 451 HG3 ARG 56 HG1 ARG 56 4.667 -11.472 -1.272 452 HD2 ARG 56 HD2 ARG 56 4.701 -13.543 -2.472 453 HD3 ARG 56 HD1 ARG 56 5.589 -12.345 -3.412 454 HE ARG 56 HE ARG 56 7.167 -14.048 -1.663 455 HH11 ARG 56 HH11 ARG 56 5.966 -13.464 -4.905 456 HH12 ARG 56 HH12 ARG 56 7.169 -14.456 -5.662 457 HH21 ARG 56 HH21 ARG 56 8.747 -15.347 -2.662 458 HH22 ARG 56 HH22 ARG 56 8.747 -15.525 -4.389 459 H TRP 57 HN TRP 57 6.278 -7.616 -0.603 460 HA TRP 57 HA TRP 57 3.483 -8.126 0.068 461 HB2 TRP 57 HB2 TRP 57 3.751 -5.531 0.959 462 HB3 TRP 57 HB1 TRP 57 3.459 -6.973 1.903 463 HD1 TRP 57 HD1 TRP 57 6.963 -6.365 0.471 464 HE1 TRP 57 HE1 TRP 57 8.573 -5.901 2.419 465 HE3 TRP 57 HE3 TRP 57 3.568 -5.911 4.275 466 HZ2 TRP 57 HZ2 TRP 57 8.407 -5.366 5.196 467 HZ3 TRP 57 HZ3 TRP 57 4.375 -5.421 6.535 468 HH2 TRP 57 HH2 TRP 57 6.754 -5.148 6.986 469 H ASN 58 HN ASN 58 2.767 -7.996 -2.018 470 HA ASN 58 HA ASN 58 2.327 -5.181 -2.811 471 HB2 ASN 58 HB2 ASN 58 3.052 -6.264 -4.795 472 HB3 ASN 58 HB1 ASN 58 2.175 -7.742 -4.410 473 HD21 ASN 58 HD21 ASN 58 1.128 -7.823 -6.359 474 HD22 ASN 58 HD22 ASN 58 -0.119 -6.714 -6.801 475 H CYS 59 HN CYS 59 0.206 -4.449 -2.520 476 HA CYS 59 HA CYS 59 -1.305 -6.305 -0.847 477 HB2 CYS 59 HB2 CYS 59 -1.794 -3.347 -1.108 478 HB3 CYS 59 HB1 CYS 59 -2.344 -4.435 0.157 479 H LEU 60 HN LEU 60 -3.381 -6.839 -1.181 480 HA LEU 60 HA LEU 60 -4.592 -5.926 -3.694 481 HB2 LEU 60 HB2 LEU 60 -4.877 -8.636 -2.378 482 HB3 LEU 60 HB1 LEU 60 -5.582 -8.141 -3.902 483 HG LEU 60 HG LEU 60 -2.617 -8.421 -3.405 484 HD11 LEU 60 HD11 LEU 60 -4.533 -10.267 -4.823 485 HD12 LEU 60 HD12 LEU 60 -3.732 -10.581 -3.283 486 HD13 LEU 60 HD13 LEU 60 -2.780 -10.448 -4.761 487 HD21 LEU 60 HD21 LEU 60 -2.460 -8.276 -5.847 488 HD22 LEU 60 HD22 LEU 60 -3.146 -6.810 -5.146 489 HD23 LEU 60 HD23 LEU 60 -4.197 -7.985 -5.937 490 H PHE 61 HN PHE 61 -6.477 -4.893 -3.315 491 HA PHE 61 HA PHE 61 -7.488 -5.061 -0.571 492 HB2 PHE 61 HB2 PHE 61 -8.096 -3.136 -2.836 493 HB3 PHE 61 HB1 PHE 61 -8.964 -3.127 -1.322 494 HD1 PHE 61 HD1 PHE 61 -5.459 -3.799 -1.371 495 HD2 PHE 61 HD2 PHE 61 -8.334 -0.710 -0.987 496 HE1 PHE 61 HE1 PHE 61 -3.787 -2.396 -0.338 497 HE2 PHE 61 HE2 PHE 61 -6.648 0.748 -0.012 498 HZ PHE 61 HZ PHE 61 -4.560 0.339 -0.025 499 H ARG 62 HN ARG 62 -9.174 -6.387 -0.202 500 HA ARG 62 HA ARG 62 -11.161 -6.795 -2.338 501 HB2 ARG 62 HB2 ARG 62 -9.496 -8.660 -2.362 502 HB3 ARG 62 HB1 ARG 62 -9.932 -9.026 -0.701 503 HG2 ARG 62 HG2 ARG 62 -12.244 -9.476 -1.438 504 HG3 ARG 62 HG1 ARG 62 -11.737 -9.191 -3.105 505 HD2 ARG 62 HD2 ARG 62 -10.680 -11.325 -1.253 506 HD3 ARG 62 HD1 ARG 62 -11.775 -11.574 -2.611 507 HE ARG 62 HE ARG 62 -9.785 -10.548 -3.930 508 HH11 ARG 62 HH11 ARG 62 -9.605 -12.783 -1.242 509 HH12 ARG 62 HH12 ARG 62 -8.075 -13.443 -1.723 510 HH21 ARG 62 HH21 ARG 62 -7.773 -11.435 -4.581 511 HH22 ARG 62 HH22 ARG 62 -7.028 -12.669 -3.615 512 H GLN 63 HN GLN 63 -13.118 -6.332 -1.497 513 HA GLN 63 HA GLN 63 -13.823 -7.282 1.157 514 HB2 GLN 63 HB2 GLN 63 -12.724 -4.914 1.265 515 HB3 GLN 63 HB1 GLN 63 -14.248 -4.358 0.592 516 HG2 GLN 63 HG2 GLN 63 -14.291 -4.096 2.971 517 HG3 GLN 63 HG1 GLN 63 -15.425 -5.365 2.517 518 HE21 GLN 63 HE21 GLN 63 -15.026 -7.469 3.129 519 HE22 GLN 63 HE22 GLN 63 -13.795 -7.889 4.266 520 H GLY 64 HN GLY 64 -16.055 -5.164 1.020 521 HA2 GLY 64 HA2 GLY 64 -18.097 -4.842 0.038 522 HA3 GLY 64 HA1 GLY 64 -17.471 -5.633 -1.397 523 H ILE 65 HN ILE 65 -17.689 -7.888 -1.611 524 HA ILE 65 HA ILE 65 -19.477 -9.207 0.226 525 HB ILE 65 HB ILE 65 -21.104 -8.068 -0.958 526 HG12 ILE 65 HG12 ILE 65 -22.231 -9.817 -2.382 527 HG13 ILE 65 HG11 ILE 65 -20.794 -10.814 -2.182 528 HG21 ILE 65 HG21 ILE 65 -21.137 -7.699 -3.286 529 HG22 ILE 65 HG22 ILE 65 -19.833 -8.856 -3.543 530 HG23 ILE 65 HG23 ILE 65 -19.508 -7.343 -2.702 531 HD11 ILE 65 HD11 ILE 65 -22.562 -11.464 -0.645 532 HD12 ILE 65 HD12 ILE 65 -22.579 -9.838 0.036 533 HD13 ILE 65 HD13 ILE 65 -21.154 -10.858 0.224 534 H ASN 66 HN ASN 66 -18.330 -9.545 -3.128 535 HA ASN 66 HA ASN 66 -17.565 -12.317 -2.505 536 HB2 ASN 66 HB2 ASN 66 -18.367 -11.051 -5.134 537 HB3 ASN 66 HB1 ASN 66 -17.689 -12.669 -5.000 538 HD21 ASN 66 HD21 ASN 66 -20.286 -11.830 -5.988 539 HD22 ASN 66 HD22 ASN 66 -21.458 -12.655 -5.016 540 H MET 67 HN MET 67 -16.033 -12.486 -5.025 541 HA MET 67 HA MET 67 -13.512 -11.541 -4.108 542 HB2 MET 67 HB2 MET 67 -14.356 -12.583 -6.819 543 HB3 MET 67 HB1 MET 67 -12.693 -12.281 -6.343 544 HG2 MET 67 HG2 MET 67 -14.528 -14.213 -4.952 545 HG3 MET 67 HG1 MET 67 -13.380 -14.658 -6.211 546 HE1 MET 67 HE1 MET 67 -9.938 -14.025 -4.561 547 HE2 MET 67 HE2 MET 67 -10.831 -12.958 -5.643 548 HE3 MET 67 HE3 MET 67 -10.805 -14.696 -5.944 549 H LYS 68 HN LYS 68 -16.036 -9.908 -5.378 550 HA LYS 68 HA LYS 68 -14.706 -8.010 -7.053 551 HB2 LYS 68 HB2 LYS 68 -17.367 -7.841 -5.629 552 HB3 LYS 68 HB1 LYS 68 -16.815 -6.753 -6.894 553 HG2 LYS 68 HG2 LYS 68 -17.302 -9.705 -7.220 554 HG3 LYS 68 HG1 LYS 68 -18.392 -8.416 -7.731 555 HD2 LYS 68 HD2 LYS 68 -16.678 -7.567 -9.252 556 HD3 LYS 68 HD1 LYS 68 -15.582 -8.848 -8.737 557 HE2 LYS 68 HE2 LYS 68 -17.153 -10.526 -9.577 558 HE3 LYS 68 HE1 LYS 68 -18.246 -9.243 -10.095 559 HZ1 LYS 68 HZ1 LYS 68 -16.894 -10.098 -11.915 560 HZ2 LYS 68 HZ2 LYS 68 -15.482 -9.643 -11.102 561 HZ3 LYS 68 HZ3 LYS 68 -16.575 -8.463 -11.627 562 H PHE 69 HN PHE 69 -15.585 -5.573 -6.139 563 HA PHE 69 HA PHE 69 -14.862 -3.813 -4.886 564 HB2 PHE 69 HB2 PHE 69 -16.239 -5.472 -3.229 565 HB3 PHE 69 HB1 PHE 69 -14.679 -5.437 -2.407 566 HD1 PHE 69 HD1 PHE 69 -13.726 -3.223 -1.708 567 HD2 PHE 69 HD2 PHE 69 -17.731 -3.672 -3.064 568 HE1 PHE 69 HE1 PHE 69 -14.316 -1.077 -0.659 569 HE2 PHE 69 HE2 PHE 69 -18.329 -1.527 -2.018 570 HZ PHE 69 HZ PHE 69 -16.642 -0.221 -0.838 571 H PHE 70 HN PHE 70 -12.850 -4.686 -6.251 572 HA PHE 70 HA PHE 70 -10.629 -5.485 -4.480 573 HB2 PHE 70 HB2 PHE 70 -11.637 -7.179 -6.079 574 HB3 PHE 70 HB1 PHE 70 -10.927 -6.232 -7.372 575 HD1 PHE 70 HD1 PHE 70 -9.970 -7.598 -4.093 576 HD2 PHE 70 HD2 PHE 70 -8.867 -6.972 -8.134 577 HE1 PHE 70 HE1 PHE 70 -7.899 -8.734 -3.680 578 HE2 PHE 70 HE2 PHE 70 -6.761 -8.136 -7.742 579 HZ PHE 70 HZ PHE 70 -6.247 -9.041 -5.504 580 H THR 71 HN THR 71 -8.552 -4.813 -5.043 581 HA THR 71 HA THR 71 -7.896 -3.509 -7.456 582 HB THR 71 HB THR 71 -8.992 -1.622 -5.992 583 HG1 THR 71 HG1 THR 71 -8.177 -0.674 -7.689 584 HG21 THR 71 HG21 THR 71 -6.902 -0.349 -4.989 585 HG22 THR 71 HG22 THR 71 -6.307 -2.004 -4.761 586 HG23 THR 71 HG23 THR 71 -7.821 -1.504 -4.003 587 H GLU 72 HN GLU 72 -5.625 -3.204 -7.701 588 HA GLU 72 HA GLU 72 -4.107 -4.703 -5.671 589 HB2 GLU 72 HB2 GLU 72 -4.132 -5.873 -7.783 590 HB3 GLU 72 HB1 GLU 72 -3.666 -4.416 -8.648 591 HG2 GLU 72 HG2 GLU 72 -1.518 -4.454 -7.348 592 HG3 GLU 72 HG1 GLU 72 -1.991 -6.044 -6.759 593 H VAL 73 HN VAL 73 -2.812 -3.464 -4.468 594 HA VAL 73 HA VAL 73 -1.511 -1.169 -5.762 595 HB VAL 73 HB VAL 73 -1.960 -0.836 -2.895 596 HG11 VAL 73 HG11 VAL 73 -2.551 1.448 -3.667 597 HG12 VAL 73 HG12 VAL 73 -2.329 0.898 -5.328 598 HG13 VAL 73 HG13 VAL 73 -0.964 0.904 -4.211 599 HG21 VAL 73 HG21 VAL 73 -4.094 -1.761 -3.252 600 HG22 VAL 73 HG22 VAL 73 -4.262 -0.920 -4.804 601 HG23 VAL 73 HG23 VAL 73 -4.305 -0.003 -3.295 602 H GLU 74 HN GLU 74 0.588 -1.648 -5.836 603 HA GLU 74 HA GLU 74 1.773 -3.659 -4.235 604 HB2 GLU 74 HB2 GLU 74 3.089 -1.591 -6.002 605 HB3 GLU 74 HB1 GLU 74 3.826 -3.067 -5.406 606 HG2 GLU 74 HG2 GLU 74 2.255 -4.398 -6.695 607 HG3 GLU 74 HG1 GLU 74 1.461 -2.930 -7.259 608 H ALA 75 HN ALA 75 2.616 -3.473 -2.233 609 HA ALA 75 HA ALA 75 3.134 -1.034 -0.906 610 HB1 ALA 75 HB1 ALA 75 3.882 -3.859 -0.407 611 HB2 ALA 75 HB2 ALA 75 3.002 -2.713 0.614 612 HB3 ALA 75 HB3 ALA 75 4.756 -2.577 0.432 613 H TYR 76 HN TYR 76 5.622 -3.462 -1.768 614 HA TYR 76 HA TYR 76 7.001 -1.767 -3.506 615 HB2 TYR 76 HB2 TYR 76 7.221 -0.865 -0.892 616 HB3 TYR 76 HB1 TYR 76 8.752 -1.705 -1.193 617 HD1 TYR 76 HD1 TYR 76 8.569 -1.051 -4.306 618 HD2 TYR 76 HD2 TYR 76 8.372 1.305 -0.769 619 HE1 TYR 76 HE1 TYR 76 9.414 0.886 -5.541 620 HE2 TYR 76 HE2 TYR 76 9.203 3.237 -1.993 621 HH TYR 76 HH TYR 76 10.556 3.679 -4.005 622 H ARG 77 HN ARG 77 9.247 -2.468 -3.923 623 HA ARG 77 HA ARG 77 9.548 -5.356 -3.603 624 HB2 ARG 77 HB2 ARG 77 9.133 -3.871 -6.216 625 HB3 ARG 77 HB1 ARG 77 9.629 -5.550 -6.119 626 HG2 ARG 77 HG2 ARG 77 7.559 -6.195 -5.146 627 HG3 ARG 77 HG1 ARG 77 7.083 -4.515 -4.903 628 HD2 ARG 77 HD2 ARG 77 5.896 -5.422 -6.793 629 HD3 ARG 77 HD1 ARG 77 7.044 -4.208 -7.348 630 HE ARG 77 HE ARG 77 8.339 -6.643 -7.518 631 HH11 ARG 77 HH11 ARG 77 5.480 -5.149 -8.888 632 HH12 ARG 77 HH12 ARG 77 5.581 -6.045 -10.376 633 HH21 ARG 77 HH21 ARG 77 8.481 -7.800 -9.479 634 HH22 ARG 77 HH22 ARG 77 7.291 -7.547 -10.715 635 HA PRO 78 HA PRO 78 14.085 -4.990 -4.187 636 HB2 PRO 78 HB2 PRO 78 14.160 -5.339 -7.028 637 HB3 PRO 78 HB1 PRO 78 14.709 -6.436 -5.774 638 HG2 PRO 78 HG2 PRO 78 12.139 -6.381 -7.222 639 HG3 PRO 78 HG1 PRO 78 12.938 -7.733 -6.401 640 HD2 PRO 78 HD2 PRO 78 10.754 -6.632 -5.363 641 HD3 PRO 78 HD1 PRO 78 12.097 -7.113 -4.312 642 H ASP 79 HN ASP 79 12.046 -3.259 -6.279 643 HA ASP 79 HA ASP 79 13.535 -1.174 -7.265 644 HB2 ASP 79 HB2 ASP 79 10.772 -1.053 -6.105 645 HB3 ASP 79 HB1 ASP 79 11.478 0.166 -7.157 646 H LEU 80 HN LEU 80 12.770 1.204 -6.317 647 HA LEU 80 HA LEU 80 14.588 1.968 -4.439 648 HB2 LEU 80 HB2 LEU 80 12.035 3.184 -5.269 649 HB3 LEU 80 HB1 LEU 80 13.014 3.961 -4.058 650 HG LEU 80 HG LEU 80 13.419 4.996 -6.186 651 HD11 LEU 80 HD11 LEU 80 15.817 4.730 -6.396 652 HD12 LEU 80 HD12 LEU 80 15.747 3.227 -5.478 653 HD13 LEU 80 HD13 LEU 80 15.337 4.755 -4.700 654 HD21 LEU 80 HD21 LEU 80 12.709 3.219 -7.665 655 HD22 LEU 80 HD22 LEU 80 14.107 2.250 -7.206 656 HD23 LEU 80 HD23 LEU 80 14.333 3.756 -8.094 657 H LYS 81 HN LYS 81 12.288 -0.080 -3.541 658 HA LYS 81 HA LYS 81 11.503 0.772 -0.972 659 HB2 LYS 81 HB2 LYS 81 10.375 -1.076 -1.870 660 HB3 LYS 81 HB1 LYS 81 11.857 -1.867 -2.360 661 HG2 LYS 81 HG2 LYS 81 11.349 -1.527 0.548 662 HG3 LYS 81 HG1 LYS 81 10.414 -2.733 -0.337 663 HD2 LYS 81 HD2 LYS 81 12.577 -3.657 -1.196 664 HD3 LYS 81 HD1 LYS 81 13.415 -2.556 -0.105 665 HE2 LYS 81 HE2 LYS 81 13.258 -4.728 0.917 666 HE3 LYS 81 HE1 LYS 81 12.228 -3.598 1.796 667 HZ1 LYS 81 HZ1 LYS 81 11.310 -5.568 -0.230 668 HZ2 LYS 81 HZ2 LYS 81 10.316 -4.489 0.607 669 HZ3 LYS 81 HZ3 LYS 81 11.123 -5.716 1.444 670 H HIS 82 HN HIS 82 14.474 -0.314 -2.296 671 HA HIS 82 HA HIS 82 15.775 -1.239 0.012 672 HB2 HIS 82 HB2 HIS 82 17.870 -0.824 -1.257 673 HB3 HIS 82 HB1 HIS 82 16.673 -1.715 -2.179 674 HD1 HIS 82 HD1 HIS 82 15.839 -0.680 -4.344 675 HD2 HIS 82 HD2 HIS 82 18.338 1.831 -2.162 676 HE1 HIS 82 HE1 HIS 82 16.455 1.191 -5.906 677 HE2 HIS 82 HE2 HIS 82 18.130 2.573 -4.628 678 HA PRO 83 HA PRO 83 16.663 1.676 2.934 679 HB2 PRO 83 HB2 PRO 83 19.487 1.964 1.996 680 HB3 PRO 83 HB1 PRO 83 18.860 1.765 3.635 681 HG2 PRO 83 HG2 PRO 83 19.889 -0.304 2.338 682 HG3 PRO 83 HG1 PRO 83 18.449 -0.495 3.354 683 HD2 PRO 83 HD2 PRO 83 18.695 -0.495 0.403 684 HD3 PRO 83 HD1 PRO 83 17.501 -1.302 1.436 685 H LEU 84 HN LEU 84 15.711 3.525 2.798 686 HA LEU 84 HA LEU 84 17.084 5.808 1.598 687 HB2 LEU 84 HB2 LEU 84 14.171 5.101 1.182 688 HB3 LEU 84 HB1 LEU 84 14.829 6.695 0.872 689 HG LEU 84 HG LEU 84 15.656 4.164 -0.555 690 HD11 LEU 84 HD11 LEU 84 13.988 6.489 -1.499 691 HD12 LEU 84 HD12 LEU 84 13.385 4.877 -1.120 692 HD13 LEU 84 HD13 LEU 84 14.493 5.109 -2.472 693 HD21 LEU 84 HD21 LEU 84 17.481 5.760 -0.423 694 HD22 LEU 84 HD22 LEU 84 16.424 7.044 -1.009 695 HD23 LEU 84 HD23 LEU 84 16.842 5.696 -2.065 696 H CYS 85 HN CYS 85 15.582 7.877 2.433 697 HA CYS 85 HA CYS 85 14.902 7.307 5.210 698 HB2 CYS 85 HB2 CYS 85 16.504 9.734 4.910 699 HB3 CYS 85 HB1 CYS 85 16.557 8.502 6.144 700 H GLY 86 HN GLY 86 14.512 9.152 2.508 701 HA2 GLY 86 HA2 GLY 86 12.927 11.199 3.892 702 HA3 GLY 86 HA1 GLY 86 13.636 11.392 2.301 703 H LYS 87 HN LYS 87 12.087 8.367 2.755 704 HA LYS 87 HA LYS 87 9.993 9.384 0.962 705 HB2 LYS 87 HB2 LYS 87 11.266 6.647 0.983 706 HB3 LYS 87 HB1 LYS 87 10.002 7.181 -0.117 707 HG2 LYS 87 HG2 LYS 87 12.827 8.209 0.046 708 HG3 LYS 87 HG1 LYS 87 12.092 7.288 -1.268 709 HD2 LYS 87 HD2 LYS 87 10.595 9.138 -1.759 710 HD3 LYS 87 HD1 LYS 87 11.241 10.051 -0.396 711 HE2 LYS 87 HE2 LYS 87 12.272 10.899 -2.363 712 HE3 LYS 87 HE1 LYS 87 13.483 9.952 -1.503 713 HZ1 LYS 87 HZ1 LYS 87 13.010 8.101 -3.021 714 HZ2 LYS 87 HZ2 LYS 87 13.562 9.470 -3.840 715 HZ3 LYS 87 HZ3 LYS 87 11.920 9.077 -3.869 716 H ARG 88 HN ARG 88 7.932 8.991 1.331 717 HA ARG 88 HA ARG 88 7.160 6.943 3.292 718 HB2 ARG 88 HB2 ARG 88 6.985 9.101 4.423 719 HB3 ARG 88 HB1 ARG 88 6.049 9.752 3.084 720 HG2 ARG 88 HG2 ARG 88 4.344 7.947 3.581 721 HG3 ARG 88 HG1 ARG 88 5.226 7.671 5.082 722 HD2 ARG 88 HD2 ARG 88 4.819 9.928 5.801 723 HD3 ARG 88 HD1 ARG 88 4.103 10.340 4.242 724 HE ARG 88 HE ARG 88 2.886 8.738 6.361 725 HH11 ARG 88 HH11 ARG 88 2.656 10.159 3.162 726 HH12 ARG 88 HH12 ARG 88 0.949 9.888 3.033 727 HH21 ARG 88 HH21 ARG 88 0.630 8.370 6.171 728 HH22 ARG 88 HH22 ARG 88 -0.194 8.836 4.710 729 H TYR 89 HN TYR 89 5.673 5.570 2.470 730 HA TYR 89 HA TYR 89 4.352 6.359 -0.051 731 HB2 TYR 89 HB2 TYR 89 6.103 4.321 0.298 732 HB3 TYR 89 HB1 TYR 89 4.597 3.489 0.665 733 HD1 TYR 89 HD1 TYR 89 2.819 4.993 -1.258 734 HD2 TYR 89 HD2 TYR 89 6.672 3.263 -1.747 735 HE1 TYR 89 HE1 TYR 89 2.363 4.676 -3.651 736 HE2 TYR 89 HE2 TYR 89 6.227 2.943 -4.142 737 HH TYR 89 HH TYR 89 3.610 4.410 -5.738 738 H GLU 90 HN GLU 90 2.175 6.594 0.113 739 HA GLU 90 HA GLU 90 0.746 4.852 1.988 740 HB2 GLU 90 HB2 GLU 90 0.469 6.947 2.978 741 HB3 GLU 90 HB1 GLU 90 0.374 7.777 1.439 742 HG2 GLU 90 HG2 GLU 90 -1.838 6.733 1.062 743 HG3 GLU 90 HG1 GLU 90 -1.735 6.008 2.659 744 H LEU 91 HN LEU 91 -0.735 3.612 1.149 745 HA LEU 91 HA LEU 91 -2.051 4.460 -1.342 746 HB2 LEU 91 HB2 LEU 91 -2.578 1.721 -0.922 747 HB3 LEU 91 HB1 LEU 91 -1.716 2.462 -2.241 748 HG LEU 91 HG LEU 91 -0.336 1.641 0.314 749 HD11 LEU 91 HD11 LEU 91 0.426 -0.329 -0.832 750 HD12 LEU 91 HD12 LEU 91 -0.421 0.149 -2.300 751 HD13 LEU 91 HD13 LEU 91 -1.338 -0.304 -0.863 752 HD21 LEU 91 HD21 LEU 91 0.795 3.358 -1.045 753 HD22 LEU 91 HD22 LEU 91 0.741 2.268 -2.430 754 HD23 LEU 91 HD23 LEU 91 1.686 1.836 -1.006 755 H SER 92 HN SER 92 -4.056 5.062 -0.973 756 HA SER 92 HA SER 92 -5.409 3.897 1.351 757 HB2 SER 92 HB2 SER 92 -6.395 6.267 1.644 758 HB3 SER 92 HB1 SER 92 -4.732 5.996 2.160 759 HG SER 92 HG SER 92 -4.252 7.571 0.886 760 H ALA 93 HN ALA 93 -7.424 3.354 1.155 761 HA ALA 93 HA ALA 93 -8.642 3.602 -1.465 762 HB1 ALA 93 HB1 ALA 93 -9.693 1.716 -1.001 763 HB2 ALA 93 HB2 ALA 93 -10.169 2.272 0.610 764 HB3 ALA 93 HB3 ALA 93 -8.563 1.581 0.356 765 H ARG 94 HN ARG 94 -9.551 5.404 -1.770 766 HA ARG 94 HA ARG 94 -11.035 6.619 0.487 767 HB2 ARG 94 HB2 ARG 94 -9.210 8.055 -1.461 768 HB3 ARG 94 HB1 ARG 94 -10.176 8.816 -0.203 769 HG2 ARG 94 HG2 ARG 94 -8.891 7.605 1.496 770 HG3 ARG 94 HG1 ARG 94 -7.912 6.881 0.222 771 HD2 ARG 94 HD2 ARG 94 -6.906 8.879 1.368 772 HD3 ARG 94 HD1 ARG 94 -6.996 8.973 -0.389 773 HE ARG 94 HE ARG 94 -9.099 10.318 0.035 774 HH11 ARG 94 HH11 ARG 94 -6.421 10.255 2.300 775 HH12 ARG 94 HH12 ARG 94 -6.730 11.855 2.888 776 HH21 ARG 94 HH21 ARG 94 -9.497 12.412 0.814 777 HH22 ARG 94 HH22 ARG 94 -8.483 13.076 2.054 778 H MET 95 HN MET 95 -12.526 7.889 0.154 779 HA MET 95 HA MET 95 -14.634 7.673 -1.138 780 HB2 MET 95 HB2 MET 95 -13.446 10.410 -1.461 781 HB3 MET 95 HB1 MET 95 -15.074 9.967 -0.965 782 HG2 MET 95 HG2 MET 95 -14.270 9.231 1.182 783 HG3 MET 95 HG1 MET 95 -12.592 9.509 0.710 784 HE1 MET 95 HE1 MET 95 -15.739 11.799 -0.068 785 HE2 MET 95 HE2 MET 95 -15.705 12.882 1.323 786 HE3 MET 95 HE3 MET 95 -16.058 11.168 1.548 787 H ASP 96 HN ASP 96 -12.024 9.417 -2.856 788 HA ASP 96 HA ASP 96 -13.456 9.340 -5.361 789 HB2 ASP 96 HB2 ASP 96 -10.679 10.314 -4.669 790 HB3 ASP 96 HB1 ASP 96 -11.408 10.452 -6.265 791 H ALA 97 HN ALA 97 -10.307 8.080 -4.268 792 HA ALA 97 HA ALA 97 -10.588 5.668 -5.814 793 HB1 ALA 97 HB1 ALA 97 -8.859 7.904 -6.779 794 HB2 ALA 97 HB2 ALA 97 -9.856 6.784 -7.705 795 HB3 ALA 97 HB3 ALA 97 -8.309 6.238 -7.017 796 H ILE 98 HN ILE 98 -8.221 4.705 -5.919 797 HA ILE 98 HA ILE 98 -7.222 4.586 -3.205 798 HB ILE 98 HB ILE 98 -6.552 3.075 -5.738 799 HG12 ILE 98 HG12 ILE 98 -8.730 2.751 -4.288 800 HG13 ILE 98 HG11 ILE 98 -7.854 1.344 -4.887 801 HG21 ILE 98 HG21 ILE 98 -5.057 1.666 -4.417 802 HG22 ILE 98 HG22 ILE 98 -5.422 2.568 -2.943 803 HG23 ILE 98 HG23 ILE 98 -4.534 3.342 -4.261 804 HD11 ILE 98 HD11 ILE 98 -7.442 2.553 -2.185 805 HD12 ILE 98 HD12 ILE 98 -6.896 0.968 -2.769 806 HD13 ILE 98 HD13 ILE 98 -8.615 1.275 -2.517 807 H TYR 99 HN TYR 99 -5.603 5.786 -2.549 808 HA TYR 99 HA TYR 99 -4.107 7.399 -4.449 809 HB2 TYR 99 HB2 TYR 99 -4.082 7.225 -1.431 810 HB3 TYR 99 HB1 TYR 99 -2.981 8.256 -2.332 811 HD1 TYR 99 HD1 TYR 99 -6.533 7.673 -3.220 812 HD2 TYR 99 HD2 TYR 99 -3.715 10.358 -1.506 813 HE1 TYR 99 HE1 TYR 99 -8.228 9.451 -3.236 814 HE2 TYR 99 HE2 TYR 99 -5.404 12.143 -1.519 815 HH TYR 99 HH TYR 99 -7.452 12.733 -2.650 816 H PHE 100 HN PHE 100 -1.850 7.209 -4.829 817 HA PHE 100 HA PHE 100 -0.438 4.943 -3.723 818 HB2 PHE 100 HB2 PHE 100 -2.057 4.025 -5.435 819 HB3 PHE 100 HB1 PHE 100 -1.162 4.924 -6.640 820 HD1 PHE 100 HD1 PHE 100 0.769 3.460 -3.961 821 HD2 PHE 100 HD2 PHE 100 -0.869 2.788 -7.825 822 HE1 PHE 100 HE1 PHE 100 2.271 1.541 -4.260 823 HE2 PHE 100 HE2 PHE 100 0.635 0.870 -8.136 824 HZ PHE 100 HZ PHE 100 2.206 0.242 -6.350 825 H LYS 101 HN LYS 101 0.855 6.937 -3.275 826 HA LYS 101 HA LYS 101 2.896 7.198 -5.323 827 HB2 LYS 101 HB2 LYS 101 1.157 9.482 -4.473 828 HB3 LYS 101 HB1 LYS 101 2.837 9.785 -4.884 829 HG2 LYS 101 HG2 LYS 101 1.651 8.177 -6.923 830 HG3 LYS 101 HG1 LYS 101 0.625 9.575 -6.613 831 HD2 LYS 101 HD2 LYS 101 2.205 10.176 -8.312 832 HD3 LYS 101 HD1 LYS 101 2.652 11.020 -6.829 833 HE2 LYS 101 HE2 LYS 101 4.309 9.223 -6.377 834 HE3 LYS 101 HE1 LYS 101 3.919 8.520 -7.945 835 HZ1 LYS 101 HZ1 LYS 101 5.870 9.861 -8.145 836 HZ2 LYS 101 HZ2 LYS 101 5.105 11.191 -7.437 837 HZ3 LYS 101 HZ3 LYS 101 4.611 10.645 -8.962 838 H MET 102 HN MET 102 4.901 7.727 -4.515 839 HA MET 102 HA MET 102 5.048 8.242 -1.621 840 HB2 MET 102 HB2 MET 102 5.862 5.991 -2.191 841 HB3 MET 102 HB1 MET 102 6.989 6.693 -3.345 842 HG2 MET 102 HG2 MET 102 8.075 7.900 -1.491 843 HG3 MET 102 HG1 MET 102 7.006 7.072 -0.361 844 HE1 MET 102 HE1 MET 102 10.313 5.085 -2.873 845 HE2 MET 102 HE2 MET 102 10.001 6.818 -2.793 846 HE3 MET 102 HE3 MET 102 8.859 5.754 -3.611 847 H ASP 103 HN ASP 103 5.068 10.485 -2.031 848 HA ASP 103 HA ASP 103 7.664 11.429 -3.042 849 HB2 ASP 103 HB2 ASP 103 4.971 12.781 -3.231 850 HB3 ASP 103 HB1 ASP 103 6.494 13.603 -3.529 851 H GLU 104 HN GLU 104 7.795 13.917 -2.096 852 HA GLU 104 HA GLU 104 7.943 13.681 0.740 853 HB2 GLU 104 HB2 GLU 104 9.422 15.157 -0.582 854 HB3 GLU 104 HB1 GLU 104 8.030 16.142 -0.975 855 HG2 GLU 104 HG2 GLU 104 7.732 16.672 1.391 856 HG3 GLU 104 HG1 GLU 104 9.155 15.704 1.771 857 H ARG 105 HN ARG 105 5.760 15.053 -1.572 858 HA ARG 105 HA ARG 105 3.858 16.127 0.273 859 HB2 ARG 105 HB2 ARG 105 2.452 16.353 -1.735 860 HB3 ARG 105 HB1 ARG 105 4.086 16.928 -2.054 861 HG2 ARG 105 HG2 ARG 105 4.621 14.777 -3.101 862 HG3 ARG 105 HG1 ARG 105 2.968 14.242 -2.821 863 HD2 ARG 105 HD2 ARG 105 2.132 15.988 -4.273 864 HD3 ARG 105 HD1 ARG 105 3.768 16.613 -4.497 865 HE ARG 105 HE ARG 105 3.830 13.939 -5.231 866 HH11 ARG 105 HH11 ARG 105 2.222 16.856 -6.296 867 HH12 ARG 105 HH12 ARG 105 2.133 16.348 -7.952 868 HH21 ARG 105 HH21 ARG 105 3.711 13.268 -7.390 869 HH22 ARG 105 HH22 ARG 105 2.974 14.298 -8.577 870 HA PRO 106 HA PRO 106 1.219 12.495 0.963 871 HB2 PRO 106 HB2 PRO 106 -1.057 14.133 -0.013 872 HB3 PRO 106 HB1 PRO 106 -0.855 13.299 1.531 873 HG2 PRO 106 HG2 PRO 106 -0.682 15.954 1.382 874 HG3 PRO 106 HG1 PRO 106 0.386 15.027 2.452 875 HD2 PRO 106 HD2 PRO 106 0.970 16.235 -0.223 876 HD3 PRO 106 HD1 PRO 106 1.983 16.181 1.233 877 HA PRO 107 HA PRO 107 0.705 10.692 -3.050 878 HB2 PRO 107 HB2 PRO 107 -1.042 8.709 -2.558 879 HB3 PRO 107 HB1 PRO 107 0.603 8.681 -1.907 880 HG2 PRO 107 HG2 PRO 107 -1.943 9.534 -0.565 881 HG3 PRO 107 HG1 PRO 107 -0.668 8.465 0.046 882 HD2 PRO 107 HD2 PRO 107 -0.815 11.073 0.739 883 HD3 PRO 107 HD1 PRO 107 0.738 10.229 0.564 884 H GLN 108 HN GLN 108 -1.228 9.779 -4.516 885 HA GLN 108 HA GLN 108 -3.498 11.604 -4.345 886 HB2 GLN 108 HB2 GLN 108 -3.141 12.373 -6.691 887 HB3 GLN 108 HB1 GLN 108 -1.907 12.933 -5.573 888 HG2 GLN 108 HG2 GLN 108 -0.409 11.165 -6.363 889 HG3 GLN 108 HG1 GLN 108 -1.641 10.645 -7.510 890 HE21 GLN 108 HE21 GLN 108 -1.026 13.993 -6.722 891 HE22 GLN 108 HE22 GLN 108 -0.363 14.433 -8.255 892 HA PRO 109 HA PRO 109 -5.983 8.360 -6.027 893 HB2 PRO 109 HB2 PRO 109 -6.799 10.306 -8.128 894 HB3 PRO 109 HB1 PRO 109 -7.803 9.325 -7.065 895 HG2 PRO 109 HG2 PRO 109 -7.506 11.916 -6.601 896 HG3 PRO 109 HG1 PRO 109 -7.528 10.756 -5.260 897 HD2 PRO 109 HD2 PRO 109 -5.221 12.192 -6.490 898 HD3 PRO 109 HD1 PRO 109 -5.504 11.749 -4.795 899 H LEU 110 HN LEU 110 -4.703 6.825 -6.982 900 HA LEU 110 HA LEU 110 -3.929 7.314 -9.767 901 HB2 LEU 110 HB2 LEU 110 -2.064 7.719 -8.127 902 HB3 LEU 110 HB1 LEU 110 -2.152 6.030 -7.715 903 HG LEU 110 HG LEU 110 -0.332 6.892 -9.368 904 HD11 LEU 110 HD11 LEU 110 -0.593 4.562 -8.796 905 HD12 LEU 110 HD12 LEU 110 -0.318 4.732 -10.529 906 HD13 LEU 110 HD13 LEU 110 -1.942 4.408 -9.921 907 HD21 LEU 110 HD21 LEU 110 -1.890 8.036 -10.864 908 HD22 LEU 110 HD22 LEU 110 -2.653 6.494 -11.245 909 HD23 LEU 110 HD23 LEU 110 -0.975 6.784 -11.701 910 H ASN 111 HN ASN 111 -5.505 5.368 -7.585 911 HA ASN 111 HA ASN 111 -5.720 3.253 -9.569 912 HB2 ASN 111 HB2 ASN 111 -4.039 2.811 -7.360 913 HB3 ASN 111 HB1 ASN 111 -5.571 2.070 -6.876 914 HD21 ASN 111 HD21 ASN 111 -4.796 0.007 -6.989 915 HD22 ASN 111 HD22 ASN 111 -4.420 -0.781 -8.478 916 H LYS 112 HN LYS 112 -7.705 1.868 -8.812 917 HA LYS 112 HA LYS 112 -9.294 3.431 -6.961 918 HB2 LYS 112 HB2 LYS 112 -11.237 3.233 -8.464 919 HB3 LYS 112 HB1 LYS 112 -9.950 4.227 -9.093 920 HG2 LYS 112 HG2 LYS 112 -9.257 2.463 -10.587 921 HG3 LYS 112 HG1 LYS 112 -10.462 1.378 -9.891 922 HD2 LYS 112 HD2 LYS 112 -12.240 2.910 -10.656 923 HD3 LYS 112 HD1 LYS 112 -11.010 3.928 -11.407 924 HE2 LYS 112 HE2 LYS 112 -11.552 1.042 -12.091 925 HE3 LYS 112 HE1 LYS 112 -12.101 2.433 -13.024 926 HZ1 LYS 112 HZ1 LYS 112 -9.776 3.039 -13.378 927 HZ2 LYS 112 HZ2 LYS 112 -10.119 1.503 -13.990 928 HZ3 LYS 112 HZ3 LYS 112 -9.278 1.661 -12.533 929 H TRP 113 HN TRP 113 -10.592 2.334 -5.728 930 HA TRP 113 HA TRP 113 -10.449 -0.504 -5.653 931 HB2 TRP 113 HB2 TRP 113 -12.209 -0.192 -3.875 932 HB3 TRP 113 HB1 TRP 113 -10.626 0.537 -3.526 933 HD1 TRP 113 HD1 TRP 113 -10.530 3.160 -3.313 934 HE1 TRP 113 HE1 TRP 113 -12.302 5.026 -3.255 935 HE3 TRP 113 HE3 TRP 113 -14.602 0.447 -4.807 936 HZ2 TRP 113 HZ2 TRP 113 -15.059 5.300 -3.770 937 HZ3 TRP 113 HZ3 TRP 113 -16.771 1.590 -4.996 938 HH2 TRP 113 HH2 TRP 113 -16.993 3.967 -4.487 939 H ARG 114 HN ARG 114 -12.864 -1.452 -5.204 940 HA ARG 114 HA ARG 114 -14.363 -0.844 -7.633 941 HB2 ARG 114 HB2 ARG 114 -12.823 -2.343 -8.441 942 HB3 ARG 114 HB1 ARG 114 -12.767 -3.255 -6.956 943 HG2 ARG 114 HG2 ARG 114 -15.016 -4.170 -7.590 944 HG3 ARG 114 HG1 ARG 114 -14.849 -3.329 -9.133 945 HD2 ARG 114 HD2 ARG 114 -13.095 -5.522 -8.040 946 HD3 ARG 114 HD1 ARG 114 -14.158 -5.601 -9.445 947 HE ARG 114 HE ARG 114 -12.302 -3.540 -9.852 948 HH11 ARG 114 HH11 ARG 114 -12.380 -7.036 -9.624 949 HH12 ARG 114 HH12 ARG 114 -10.986 -7.251 -10.631 950 HH21 ARG 114 HH21 ARG 114 -10.473 -3.833 -11.173 951 HH22 ARG 114 HH22 ARG 114 -9.913 -5.438 -11.522 952 H SER 115 HN SER 115 -16.084 -2.671 -7.748 953 HA SER 115 HA SER 115 -17.202 -3.672 -5.357 954 HB2 SER 115 HB2 SER 115 -19.177 -2.152 -5.211 955 HB3 SER 115 HB1 SER 115 -17.654 -1.355 -4.816 956 HG SER 115 HG SER 115 -18.620 -1.298 -7.456 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 21.984 4.512 2.292 2 H2 ALA 1 HT2 ALA 1 21.643 6.063 2.868 3 H3 ALA 1 HT3 ALA 1 20.773 5.436 1.561 4 HA ALA 1 HA ALA 1 19.464 5.373 3.579 5 HB1 ALA 1 HB1 ALA 1 18.792 3.036 3.436 6 HB2 ALA 1 HB2 ALA 1 20.303 2.635 2.623 7 HB3 ALA 1 HB3 ALA 1 19.127 3.680 1.828 8 H MET 2 HN MET 2 20.999 6.197 5.251 9 HA MET 2 HA MET 2 22.469 4.168 6.723 10 HB2 MET 2 HB2 MET 2 22.197 7.144 7.129 11 HB3 MET 2 HB1 MET 2 23.123 6.097 8.194 12 HG2 MET 2 HG2 MET 2 24.543 5.457 6.299 13 HG3 MET 2 HG1 MET 2 23.634 6.556 5.266 14 HE1 MET 2 HE1 MET 2 26.283 7.899 8.801 15 HE2 MET 2 HE2 MET 2 26.066 6.221 8.306 16 HE3 MET 2 HE3 MET 2 24.726 7.105 9.033 17 H GLY 3 HN GLY 3 20.244 6.734 7.837 18 HA2 GLY 3 HA2 GLY 3 19.157 4.744 9.735 19 HA3 GLY 3 HA1 GLY 3 19.412 6.429 10.151 20 H CYS 4 HN CYS 4 18.397 6.876 7.211 21 HA CYS 4 HA CYS 4 15.776 7.541 8.058 22 HB2 CYS 4 HB2 CYS 4 15.610 8.243 5.546 23 HB3 CYS 4 HB1 CYS 4 16.566 9.180 6.684 24 H LYS 5 HN LYS 5 16.426 4.605 7.796 25 HA LYS 5 HA LYS 5 14.593 3.977 5.580 26 HB2 LYS 5 HB2 LYS 5 16.278 1.892 5.706 27 HB3 LYS 5 HB1 LYS 5 16.312 3.195 4.527 28 HG2 LYS 5 HG2 LYS 5 18.408 3.474 5.315 29 HG3 LYS 5 HG1 LYS 5 17.501 4.382 6.533 30 HD2 LYS 5 HD2 LYS 5 19.016 3.026 7.743 31 HD3 LYS 5 HD1 LYS 5 17.429 2.277 7.903 32 HE2 LYS 5 HE2 LYS 5 17.993 0.635 6.227 33 HE3 LYS 5 HE1 LYS 5 19.536 1.432 5.925 34 HZ1 LYS 5 HZ1 LYS 5 19.939 -0.423 7.325 35 HZ2 LYS 5 HZ2 LYS 5 18.702 0.017 8.396 36 HZ3 LYS 5 HZ3 LYS 5 20.099 0.960 8.288 37 H GLU 6 HN GLU 6 13.165 3.856 7.397 38 HA GLU 6 HA GLU 6 12.749 0.958 7.392 39 HB2 GLU 6 HB2 GLU 6 10.950 2.839 8.873 40 HB3 GLU 6 HB1 GLU 6 11.188 1.101 9.084 41 HG2 GLU 6 HG2 GLU 6 13.396 1.472 9.923 42 HG3 GLU 6 HG1 GLU 6 13.212 3.208 9.705 43 H ILE 7 HN ILE 7 12.022 0.619 5.390 44 HA ILE 7 HA ILE 7 10.216 2.596 4.209 45 HB ILE 7 HB ILE 7 11.188 0.100 2.851 46 HG12 ILE 7 HG12 ILE 7 13.176 1.166 3.239 47 HG13 ILE 7 HG11 ILE 7 12.721 1.793 1.674 48 HG21 ILE 7 HG21 ILE 7 9.287 1.042 1.758 49 HG22 ILE 7 HG22 ILE 7 10.720 1.433 0.781 50 HG23 ILE 7 HG23 ILE 7 10.004 2.656 1.837 51 HD11 ILE 7 HD11 ILE 7 12.234 3.855 2.483 52 HD12 ILE 7 HD12 ILE 7 13.581 3.379 3.543 53 HD13 ILE 7 HD13 ILE 7 11.900 3.247 4.103 54 H GLU 8 HN GLU 8 8.220 2.482 4.586 55 HA GLU 8 HA GLU 8 7.111 -0.080 5.492 56 HB2 GLU 8 HB2 GLU 8 5.471 1.775 6.603 57 HB3 GLU 8 HB1 GLU 8 6.879 1.082 7.394 58 HG2 GLU 8 HG2 GLU 8 8.233 2.940 6.632 59 HG3 GLU 8 HG1 GLU 8 6.820 3.649 5.846 60 H ILE 9 HN ILE 9 4.961 -0.566 5.146 61 HA ILE 9 HA ILE 9 3.872 0.575 2.661 62 HB ILE 9 HB ILE 9 2.575 -1.849 3.578 63 HG12 ILE 9 HG12 ILE 9 4.932 -2.282 4.387 64 HG13 ILE 9 HG11 ILE 9 4.194 -3.483 3.358 65 HG21 ILE 9 HG21 ILE 9 2.195 -1.108 1.402 66 HG22 ILE 9 HG22 ILE 9 3.136 -2.599 1.290 67 HG23 ILE 9 HG23 ILE 9 3.924 -1.041 1.072 68 HD11 ILE 9 HD11 ILE 9 6.494 -3.054 2.758 69 HD12 ILE 9 HD12 ILE 9 6.094 -1.359 2.457 70 HD13 ILE 9 HD13 ILE 9 5.360 -2.635 1.474 71 H VAL 10 HN VAL 10 2.560 2.278 3.417 72 HA VAL 10 HA VAL 10 0.697 1.596 5.567 73 HB VAL 10 HB VAL 10 1.393 3.662 6.184 74 HG11 VAL 10 HG11 VAL 10 1.802 4.239 3.284 75 HG12 VAL 10 HG12 VAL 10 2.986 4.193 4.585 76 HG13 VAL 10 HG13 VAL 10 1.834 5.524 4.487 77 HG21 VAL 10 HG21 VAL 10 -0.999 3.900 5.977 78 HG22 VAL 10 HG22 VAL 10 -0.855 4.312 4.266 79 HG23 VAL 10 HG23 VAL 10 -0.239 5.418 5.492 80 H ILE 11 HN ILE 11 -1.193 0.903 5.149 81 HA ILE 11 HA ILE 11 -2.502 1.681 2.644 82 HB ILE 11 HB ILE 11 -3.023 -0.669 4.460 83 HG12 ILE 11 HG12 ILE 11 -1.104 -1.083 3.141 84 HG13 ILE 11 HG11 ILE 11 -2.439 -1.976 2.408 85 HG21 ILE 11 HG21 ILE 11 -4.676 -1.374 2.713 86 HG22 ILE 11 HG22 ILE 11 -4.532 0.251 2.036 87 HG23 ILE 11 HG23 ILE 11 -5.143 0.030 3.675 88 HD11 ILE 11 HD11 ILE 11 -1.312 0.640 1.527 89 HD12 ILE 11 HD12 ILE 11 -2.741 -0.123 0.840 90 HD13 ILE 11 HD13 ILE 11 -1.167 -0.914 0.701 91 H LYS 12 HN LYS 12 -3.834 3.279 2.931 92 HA LYS 12 HA LYS 12 -5.116 3.596 5.565 93 HB2 LYS 12 HB2 LYS 12 -3.793 5.480 4.007 94 HB3 LYS 12 HB1 LYS 12 -5.524 5.800 3.676 95 HG2 LYS 12 HG2 LYS 12 -5.905 5.896 6.119 96 HG3 LYS 12 HG1 LYS 12 -4.167 5.749 6.353 97 HD2 LYS 12 HD2 LYS 12 -3.900 7.796 4.923 98 HD3 LYS 12 HD1 LYS 12 -5.655 7.978 4.987 99 HE2 LYS 12 HE2 LYS 12 -3.735 8.017 7.311 100 HE3 LYS 12 HE1 LYS 12 -4.649 9.379 6.669 101 HZ1 LYS 12 HZ1 LYS 12 -5.841 6.962 7.918 102 HZ2 LYS 12 HZ2 LYS 12 -6.685 8.318 7.357 103 HZ3 LYS 12 HZ3 LYS 12 -5.641 8.459 8.678 104 H ASN 13 HN ASN 13 -7.338 4.467 5.438 105 HA ASN 13 HA ASN 13 -8.793 3.914 3.007 106 HB2 ASN 13 HB2 ASN 13 -8.779 1.736 4.088 107 HB3 ASN 13 HB1 ASN 13 -9.322 2.453 5.599 108 HD21 ASN 13 HD21 ASN 13 -10.977 0.893 5.470 109 HD22 ASN 13 HD22 ASN 13 -12.386 1.209 4.520 110 H THR 14 HN THR 14 -10.325 5.418 2.775 111 HA THR 14 HA THR 14 -11.702 6.544 4.943 112 HB THR 14 HB THR 14 -9.706 7.621 5.562 113 HG1 THR 14 HG1 THR 14 -10.771 9.415 5.838 114 HG21 THR 14 HG21 THR 14 -9.577 8.425 2.684 115 HG22 THR 14 HG22 THR 14 -8.476 7.319 3.549 116 HG23 THR 14 HG23 THR 14 -8.497 9.047 3.941 117 H LEU 15 HN LEU 15 -13.348 5.921 3.299 118 HA LEU 15 HA LEU 15 -13.765 7.978 1.368 119 HB2 LEU 15 HB2 LEU 15 -15.654 5.774 2.193 120 HB3 LEU 15 HB1 LEU 15 -15.887 6.873 0.887 121 HG LEU 15 HG LEU 15 -14.149 5.916 -0.375 122 HD11 LEU 15 HD11 LEU 15 -12.814 4.081 0.452 123 HD12 LEU 15 HD12 LEU 15 -13.495 4.394 2.070 124 HD13 LEU 15 HD13 LEU 15 -12.579 5.659 1.218 125 HD21 LEU 15 HD21 LEU 15 -15.791 3.753 0.916 126 HD22 LEU 15 HD22 LEU 15 -14.920 3.596 -0.608 127 HD23 LEU 15 HD23 LEU 15 -16.267 4.725 -0.475 128 H GLY 16 HN GLY 16 -14.777 6.925 4.462 129 HA2 GLY 16 HA2 GLY 16 -15.829 9.153 5.614 130 HA3 GLY 16 HA1 GLY 16 -17.178 8.451 4.719 131 HA PRO 17 HA PRO 17 -16.905 6.567 8.992 132 HB2 PRO 17 HB2 PRO 17 -19.615 6.189 9.240 133 HB3 PRO 17 HB1 PRO 17 -18.763 7.650 9.746 134 HG2 PRO 17 HG2 PRO 17 -20.288 7.122 7.225 135 HG3 PRO 17 HG1 PRO 17 -20.271 8.576 8.242 136 HD2 PRO 17 HD2 PRO 17 -18.878 8.446 5.953 137 HD3 PRO 17 HD1 PRO 17 -18.252 9.312 7.371 138 H SER 18 HN SER 18 -16.678 4.474 9.410 139 HA SER 18 HA SER 18 -16.804 2.210 9.343 140 HB2 SER 18 HB2 SER 18 -19.429 2.656 7.898 141 HB3 SER 18 HB1 SER 18 -18.920 1.182 8.719 142 HG SER 18 HG SER 18 -18.678 3.189 10.434 143 H ARG 19 HN ARG 19 -15.475 3.632 7.181 144 HA ARG 19 HA ARG 19 -15.841 1.929 4.881 145 HB2 ARG 19 HB2 ARG 19 -14.237 4.316 5.508 146 HB3 ARG 19 HB1 ARG 19 -13.447 3.179 4.449 147 HG2 ARG 19 HG2 ARG 19 -14.724 5.016 3.380 148 HG3 ARG 19 HG1 ARG 19 -15.126 3.387 2.832 149 HD2 ARG 19 HD2 ARG 19 -16.706 4.578 5.055 150 HD3 ARG 19 HD1 ARG 19 -17.005 5.155 3.418 151 HE ARG 19 HE ARG 19 -17.047 2.277 3.723 152 HH11 ARG 19 HH11 ARG 19 -18.920 5.232 3.755 153 HH12 ARG 19 HH12 ARG 19 -20.424 4.431 3.438 154 HH21 ARG 19 HH21 ARG 19 -19.034 1.221 3.287 155 HH22 ARG 19 HH22 ARG 19 -20.488 2.159 3.171 156 H ILE 20 HN ILE 20 -15.012 -0.062 4.737 157 HA ILE 20 HA ILE 20 -12.421 -0.604 6.003 158 HB ILE 20 HB ILE 20 -14.433 -2.765 6.274 159 HG12 ILE 20 HG12 ILE 20 -15.408 -0.570 7.157 160 HG13 ILE 20 HG11 ILE 20 -15.481 -1.982 8.184 161 HG21 ILE 20 HG21 ILE 20 -13.130 -3.331 8.187 162 HG22 ILE 20 HG22 ILE 20 -12.274 -1.800 8.080 163 HG23 ILE 20 HG23 ILE 20 -12.042 -3.022 6.826 164 HD11 ILE 20 HD11 ILE 20 -13.720 -1.187 9.504 165 HD12 ILE 20 HD12 ILE 20 -14.819 0.182 9.264 166 HD13 ILE 20 HD13 ILE 20 -13.319 0.065 8.337 167 H LEU 21 HN LEU 21 -11.154 -1.366 4.434 168 HA LEU 21 HA LEU 21 -12.224 -3.593 2.850 169 HB2 LEU 21 HB2 LEU 21 -10.347 -2.824 1.096 170 HB3 LEU 21 HB1 LEU 21 -12.034 -2.321 0.993 171 HG LEU 21 HG LEU 21 -10.309 -0.557 0.554 172 HD11 LEU 21 HD11 LEU 21 -11.496 1.174 1.838 173 HD12 LEU 21 HD12 LEU 21 -12.293 -0.097 2.765 174 HD13 LEU 21 HD13 LEU 21 -12.578 0.042 1.029 175 HD21 LEU 21 HD21 LEU 21 -8.671 -1.115 2.232 176 HD22 LEU 21 HD22 LEU 21 -9.834 -0.806 3.519 177 HD23 LEU 21 HD23 LEU 21 -9.266 0.520 2.509 178 H GLN 22 HN GLN 22 -10.542 -5.090 2.089 179 HA GLN 22 HA GLN 22 -8.512 -5.343 4.190 180 HB2 GLN 22 HB2 GLN 22 -10.289 -6.932 4.477 181 HB3 GLN 22 HB1 GLN 22 -10.221 -7.391 2.783 182 HG2 GLN 22 HG2 GLN 22 -8.016 -8.333 3.134 183 HG3 GLN 22 HG1 GLN 22 -8.094 -7.899 4.841 184 HE21 GLN 22 HE21 GLN 22 -10.947 -8.523 5.018 185 HE22 GLN 22 HE22 GLN 22 -11.060 -10.248 5.031 186 H TYR 23 HN TYR 23 -6.530 -5.046 3.402 187 HA TYR 23 HA TYR 23 -6.018 -5.607 0.574 188 HB2 TYR 23 HB2 TYR 23 -4.148 -4.138 0.686 189 HB3 TYR 23 HB1 TYR 23 -5.487 -3.309 1.477 190 HD1 TYR 23 HD1 TYR 23 -5.607 -3.416 4.002 191 HD2 TYR 23 HD2 TYR 23 -2.150 -4.521 1.809 192 HE1 TYR 23 HE1 TYR 23 -4.247 -3.105 6.028 193 HE2 TYR 23 HE2 TYR 23 -0.766 -4.229 3.821 194 HH TYR 23 HH TYR 23 -2.058 -3.946 6.915 195 H HIS 24 HN HIS 24 -4.319 -6.896 -0.059 196 HA HIS 24 HA HIS 24 -2.856 -8.301 2.073 197 HB2 HIS 24 HB2 HIS 24 -4.363 -9.775 0.770 198 HB3 HIS 24 HB1 HIS 24 -3.513 -9.333 -0.681 199 HD1 HIS 24 HD1 HIS 24 -1.286 -9.673 2.169 200 HD2 HIS 24 HD2 HIS 24 -2.856 -12.171 -0.768 201 HE1 HIS 24 HE1 HIS 24 0.150 -11.745 2.194 202 HE2 HIS 24 HE2 HIS 24 -1.001 -13.330 0.607 203 H CYS 25 HN CYS 25 -0.869 -7.345 2.141 204 HA CYS 25 HA CYS 25 0.260 -6.736 -0.452 205 HB2 CYS 25 HB2 CYS 25 0.120 -5.069 1.631 206 HB3 CYS 25 HB1 CYS 25 1.702 -5.790 1.935 207 H ARG 26 HN ARG 26 1.587 -7.956 -1.360 208 HA ARG 26 HA ARG 26 3.659 -9.334 0.118 209 HB2 ARG 26 HB2 ARG 26 3.122 -11.529 -0.894 210 HB3 ARG 26 HB1 ARG 26 1.869 -10.980 0.208 211 HG2 ARG 26 HG2 ARG 26 0.439 -10.376 -1.608 212 HG3 ARG 26 HG1 ARG 26 1.724 -10.663 -2.780 213 HD2 ARG 26 HD2 ARG 26 1.732 -13.038 -2.183 214 HD3 ARG 26 HD1 ARG 26 0.440 -12.743 -1.019 215 HE ARG 26 HE ARG 26 -0.159 -11.941 -3.733 216 HH11 ARG 26 HH11 ARG 26 -0.293 -14.529 -1.375 217 HH12 ARG 26 HH12 ARG 26 -1.598 -15.350 -2.168 218 HH21 ARG 26 HH21 ARG 26 -1.877 -13.023 -4.771 219 HH22 ARG 26 HH22 ARG 26 -2.503 -14.494 -4.093 220 H SER 27 HN SER 27 5.370 -8.590 -0.993 221 HA SER 27 HA SER 27 5.964 -9.919 -3.373 222 HB2 SER 27 HB2 SER 27 5.188 -7.048 -3.724 223 HB3 SER 27 HB1 SER 27 6.530 -7.687 -4.671 224 HG SER 27 HG SER 27 3.980 -8.923 -4.534 225 H GLY 28 HN GLY 28 8.183 -9.317 -4.154 226 HA2 GLY 28 HA2 GLY 28 10.333 -8.615 -3.810 227 HA3 GLY 28 HA1 GLY 28 9.745 -7.544 -2.538 228 H ASN 29 HN ASN 29 9.203 -10.989 -2.656 229 HA ASN 29 HA ASN 29 9.960 -12.765 -1.474 230 HB2 ASN 29 HB2 ASN 29 12.164 -10.929 -0.528 231 HB3 ASN 29 HB1 ASN 29 12.084 -12.658 -0.219 232 HD21 ASN 29 HD21 ASN 29 12.659 -10.197 -2.580 233 HD22 ASN 29 HD22 ASN 29 13.315 -11.231 -3.800 234 H THR 30 HN THR 30 9.249 -9.768 0.059 235 HA THR 30 HA THR 30 8.757 -11.166 2.588 236 HB THR 30 HB THR 30 8.248 -8.376 2.886 237 HG1 THR 30 HG1 THR 30 10.765 -8.959 1.665 238 HG21 THR 30 HG21 THR 30 10.134 -8.527 4.438 239 HG22 THR 30 HG22 THR 30 10.578 -10.090 3.755 240 HG23 THR 30 HG23 THR 30 9.053 -9.907 4.621 241 H ASN 31 HN ASN 31 6.773 -11.536 3.305 242 HA ASN 31 HA ASN 31 4.498 -10.079 2.232 243 HB2 ASN 31 HB2 ASN 31 3.289 -12.158 1.634 244 HB3 ASN 31 HB1 ASN 31 4.709 -11.898 0.631 245 HD21 ASN 31 HD21 ASN 31 3.188 -13.927 2.964 246 HD22 ASN 31 HD22 ASN 31 4.366 -15.195 2.936 247 H VAL 32 HN VAL 32 3.239 -9.572 3.885 248 HA VAL 32 HA VAL 32 2.527 -11.467 5.823 249 HB VAL 32 HB VAL 32 4.457 -11.137 6.954 250 HG11 VAL 32 HG11 VAL 32 4.899 -9.285 5.410 251 HG12 VAL 32 HG12 VAL 32 5.618 -9.133 7.016 252 HG13 VAL 32 HG13 VAL 32 4.170 -8.210 6.589 253 HG21 VAL 32 HG21 VAL 32 2.569 -9.100 8.144 254 HG22 VAL 32 HG22 VAL 32 3.915 -9.880 8.975 255 HG23 VAL 32 HG23 VAL 32 2.528 -10.836 8.453 256 H GLY 33 HN GLY 33 0.359 -11.072 5.466 257 HA2 GLY 33 HA2 GLY 33 -1.213 -9.824 6.977 258 HA3 GLY 33 HA1 GLY 33 -0.478 -8.378 6.319 259 H VAL 34 HN VAL 34 -3.002 -10.570 6.057 260 HA VAL 34 HA VAL 34 -3.940 -8.967 3.765 261 HB VAL 34 HB VAL 34 -5.227 -11.528 4.727 262 HG11 VAL 34 HG11 VAL 34 -5.598 -9.825 2.264 263 HG12 VAL 34 HG12 VAL 34 -6.699 -9.932 3.634 264 HG13 VAL 34 HG13 VAL 34 -6.443 -11.340 2.596 265 HG21 VAL 34 HG21 VAL 34 -3.497 -11.139 2.290 266 HG22 VAL 34 HG22 VAL 34 -4.278 -12.640 2.817 267 HG23 VAL 34 HG23 VAL 34 -2.971 -11.940 3.777 268 H GLN 35 HN GLN 35 -4.564 -7.215 5.157 269 HA GLN 35 HA GLN 35 -6.346 -7.909 7.350 270 HB2 GLN 35 HB2 GLN 35 -4.085 -7.513 8.138 271 HB3 GLN 35 HB1 GLN 35 -4.032 -5.973 7.289 272 HG2 GLN 35 HG2 GLN 35 -5.483 -4.977 8.736 273 HG3 GLN 35 HG1 GLN 35 -6.117 -6.512 9.310 274 HE21 GLN 35 HE21 GLN 35 -2.707 -5.906 8.935 275 HE22 GLN 35 HE22 GLN 35 -2.320 -5.885 10.619 276 H TYR 36 HN TYR 36 -7.832 -6.297 7.981 277 HA TYR 36 HA TYR 36 -8.607 -4.505 5.842 278 HB2 TYR 36 HB2 TYR 36 -10.719 -4.266 7.048 279 HB3 TYR 36 HB1 TYR 36 -10.351 -5.940 6.649 280 HD1 TYR 36 HD1 TYR 36 -9.297 -7.361 8.438 281 HD2 TYR 36 HD2 TYR 36 -11.127 -3.640 9.165 282 HE1 TYR 36 HE1 TYR 36 -9.528 -7.980 10.802 283 HE2 TYR 36 HE2 TYR 36 -11.385 -4.202 11.559 284 HH TYR 36 HH TYR 36 -9.814 -6.879 12.984 285 H LEU 37 HN LEU 37 -9.339 -2.306 6.364 286 HA LEU 37 HA LEU 37 -8.064 -1.207 8.746 287 HB2 LEU 37 HB2 LEU 37 -6.511 -1.169 6.718 288 HB3 LEU 37 HB1 LEU 37 -7.610 0.003 6.024 289 HG LEU 37 HG LEU 37 -5.423 0.732 7.325 290 HD11 LEU 37 HD11 LEU 37 -8.070 2.138 7.593 291 HD12 LEU 37 HD12 LEU 37 -6.963 2.246 6.223 292 HD13 LEU 37 HD13 LEU 37 -6.482 2.876 7.799 293 HD21 LEU 37 HD21 LEU 37 -6.095 -0.430 9.409 294 HD22 LEU 37 HD22 LEU 37 -7.472 0.666 9.535 295 HD23 LEU 37 HD23 LEU 37 -5.830 1.300 9.627 296 H ASN 38 HN ASN 38 -9.164 0.369 9.654 297 HA ASN 38 HA ASN 38 -11.760 1.098 8.634 298 HB2 ASN 38 HB2 ASN 38 -10.389 1.952 11.187 299 HB3 ASN 38 HB1 ASN 38 -12.103 2.066 10.830 300 HD21 ASN 38 HD21 ASN 38 -13.389 0.381 11.266 301 HD22 ASN 38 HD22 ASN 38 -12.844 -1.140 11.881 302 H PHE 39 HN PHE 39 -12.487 3.284 8.672 303 HA PHE 39 HA PHE 39 -10.893 4.944 7.048 304 HB2 PHE 39 HB2 PHE 39 -13.018 5.350 6.493 305 HB3 PHE 39 HB1 PHE 39 -13.612 4.890 8.082 306 HD1 PHE 39 HD1 PHE 39 -12.041 7.668 6.218 307 HD2 PHE 39 HD2 PHE 39 -14.295 6.490 9.617 308 HE1 PHE 39 HE1 PHE 39 -12.513 10.037 6.717 309 HE2 PHE 39 HE2 PHE 39 -14.770 8.852 10.134 310 HZ PHE 39 HZ PHE 39 -13.875 10.630 8.682 311 H LYS 40 HN LYS 40 -11.087 4.708 10.382 312 HA LYS 40 HA LYS 40 -10.385 7.493 10.842 313 HB2 LYS 40 HB2 LYS 40 -10.599 5.400 12.966 314 HB3 LYS 40 HB1 LYS 40 -10.770 7.135 13.134 315 HG2 LYS 40 HG2 LYS 40 -12.845 6.954 11.721 316 HG3 LYS 40 HG1 LYS 40 -12.706 5.203 11.895 317 HD2 LYS 40 HD2 LYS 40 -13.061 7.232 14.098 318 HD3 LYS 40 HD1 LYS 40 -14.233 6.031 13.561 319 HE2 LYS 40 HE2 LYS 40 -11.578 5.478 14.884 320 HE3 LYS 40 HE1 LYS 40 -13.165 5.336 15.634 321 HZ1 LYS 40 HZ1 LYS 40 -12.122 3.698 13.391 322 HZ2 LYS 40 HZ2 LYS 40 -13.695 3.599 13.999 323 HZ3 LYS 40 HZ3 LYS 40 -12.383 3.181 14.979 324 H GLY 41 HN GLY 41 -8.544 5.013 9.864 325 HA2 GLY 41 HA2 GLY 41 -6.272 5.946 11.442 326 HA3 GLY 41 HA1 GLY 41 -6.699 4.260 11.617 327 H THR 42 HN THR 42 -4.741 3.623 10.930 328 HA THR 42 HA THR 42 -4.241 3.570 8.038 329 HB THR 42 HB THR 42 -1.734 3.766 9.101 330 HG1 THR 42 HG1 THR 42 -2.924 6.055 10.154 331 HG21 THR 42 HG21 THR 42 -3.321 6.041 7.954 332 HG22 THR 42 HG22 THR 42 -2.565 4.752 7.009 333 HG23 THR 42 HG23 THR 42 -1.567 5.868 7.944 334 H ARG 43 HN ARG 43 -3.085 1.684 7.434 335 HA ARG 43 HA ARG 43 -2.379 -0.123 9.637 336 HB2 ARG 43 HB2 ARG 43 -4.440 -0.822 8.322 337 HB3 ARG 43 HB1 ARG 43 -3.352 -1.065 6.967 338 HG2 ARG 43 HG2 ARG 43 -3.663 -3.175 7.992 339 HG3 ARG 43 HG1 ARG 43 -2.039 -2.630 8.416 340 HD2 ARG 43 HD2 ARG 43 -2.977 -3.499 10.401 341 HD3 ARG 43 HD1 ARG 43 -3.038 -1.745 10.562 342 HE ARG 43 HE ARG 43 -5.454 -2.676 9.451 343 HH11 ARG 43 HH11 ARG 43 -3.706 -2.617 12.483 344 HH12 ARG 43 HH12 ARG 43 -5.134 -2.780 13.453 345 HH21 ARG 43 HH21 ARG 43 -7.333 -2.892 10.724 346 HH22 ARG 43 HH22 ARG 43 -7.200 -2.937 12.453 347 H ILE 44 HN ILE 44 -0.221 -0.220 9.690 348 HA ILE 44 HA ILE 44 1.152 0.067 7.112 349 HB ILE 44 HB ILE 44 2.212 1.123 9.732 350 HG12 ILE 44 HG12 ILE 44 1.853 3.307 8.287 351 HG13 ILE 44 HG11 ILE 44 0.572 2.348 7.581 352 HG21 ILE 44 HG21 ILE 44 3.919 2.131 8.411 353 HG22 ILE 44 HG22 ILE 44 3.088 1.693 6.920 354 HG23 ILE 44 HG23 ILE 44 3.825 0.434 7.918 355 HD11 ILE 44 HD11 ILE 44 -0.628 2.248 9.568 356 HD12 ILE 44 HD12 ILE 44 0.013 3.896 9.554 357 HD13 ILE 44 HD13 ILE 44 0.782 2.660 10.544 358 H ILE 45 HN ILE 45 2.415 -1.422 6.560 359 HA ILE 45 HA ILE 45 3.709 -3.220 8.422 360 HB ILE 45 HB ILE 45 3.848 -3.016 5.493 361 HG12 ILE 45 HG12 ILE 45 2.390 -4.974 7.124 362 HG13 ILE 45 HG11 ILE 45 1.681 -3.495 6.526 363 HG21 ILE 45 HG21 ILE 45 5.800 -4.145 6.291 364 HG22 ILE 45 HG22 ILE 45 4.693 -5.336 5.607 365 HG23 ILE 45 HG23 ILE 45 4.811 -5.148 7.355 366 HD11 ILE 45 HD11 ILE 45 2.644 -5.834 5.005 367 HD12 ILE 45 HD12 ILE 45 2.578 -4.230 4.269 368 HD13 ILE 45 HD13 ILE 45 1.098 -4.987 4.888 369 H LYS 46 HN LYS 46 6.081 -3.349 8.393 370 HA LYS 46 HA LYS 46 7.420 -1.256 6.946 371 HB2 LYS 46 HB2 LYS 46 8.426 -0.096 8.812 372 HB3 LYS 46 HB1 LYS 46 6.680 -0.038 8.955 373 HG2 LYS 46 HG2 LYS 46 8.369 -2.017 10.454 374 HG3 LYS 46 HG1 LYS 46 7.970 -0.420 11.082 375 HD2 LYS 46 HD2 LYS 46 5.558 -0.997 10.828 376 HD3 LYS 46 HD1 LYS 46 6.046 -2.631 10.374 377 HE2 LYS 46 HE2 LYS 46 6.704 -1.266 12.978 378 HE3 LYS 46 HE1 LYS 46 5.431 -2.460 12.751 379 HZ1 LYS 46 HZ1 LYS 46 8.322 -2.961 12.285 380 HZ2 LYS 46 HZ2 LYS 46 7.076 -4.104 12.199 381 HZ3 LYS 46 HZ3 LYS 46 7.479 -3.403 13.680 382 H PHE 47 HN PHE 47 9.562 -1.500 6.659 383 HA PHE 47 HA PHE 47 10.984 -3.543 8.162 384 HB2 PHE 47 HB2 PHE 47 10.361 -3.781 5.239 385 HB3 PHE 47 HB1 PHE 47 11.909 -4.379 5.829 386 HD1 PHE 47 HD1 PHE 47 9.117 -5.650 4.754 387 HD2 PHE 47 HD2 PHE 47 11.152 -5.508 8.519 388 HE1 PHE 47 HE1 PHE 47 8.032 -7.738 5.420 389 HE2 PHE 47 HE2 PHE 47 10.061 -7.625 9.156 390 HZ PHE 47 HZ PHE 47 8.500 -8.631 7.884 391 H LYS 48 HN LYS 48 13.261 -3.218 8.205 392 HA LYS 48 HA LYS 48 13.951 -0.448 7.454 393 HB2 LYS 48 HB2 LYS 48 14.659 -0.110 9.834 394 HB3 LYS 48 HB1 LYS 48 12.928 -0.229 9.549 395 HG2 LYS 48 HG2 LYS 48 12.977 -2.575 10.274 396 HG3 LYS 48 HG1 LYS 48 14.704 -2.426 10.600 397 HD2 LYS 48 HD2 LYS 48 14.222 -0.686 12.263 398 HD3 LYS 48 HD1 LYS 48 12.496 -0.873 11.944 399 HE2 LYS 48 HE2 LYS 48 14.355 -2.993 13.017 400 HE3 LYS 48 HE1 LYS 48 13.146 -2.105 13.941 401 HZ1 LYS 48 HZ1 LYS 48 12.327 -4.278 13.332 402 HZ2 LYS 48 HZ2 LYS 48 12.597 -3.969 11.694 403 HZ3 LYS 48 HZ3 LYS 48 11.424 -3.090 12.537 404 H ASP 49 HN ASP 49 15.592 -1.711 5.998 405 HA ASP 49 HA ASP 49 18.088 -1.895 7.466 406 HB2 ASP 49 HB2 ASP 49 16.824 -4.215 7.398 407 HB3 ASP 49 HB1 ASP 49 17.524 -4.285 5.784 408 H ASP 50 HN ASP 50 19.518 -3.334 5.341 409 HA ASP 50 HA ASP 50 19.294 -1.827 2.941 410 HB2 ASP 50 HB2 ASP 50 21.361 -0.465 3.197 411 HB3 ASP 50 HB1 ASP 50 20.060 0.038 4.267 412 H GLY 51 HN GLY 51 19.705 -3.433 1.687 413 HA2 GLY 51 HA2 GLY 51 22.455 -4.222 1.333 414 HA3 GLY 51 HA1 GLY 51 21.388 -5.546 1.781 415 H THR 52 HN THR 52 21.042 -2.738 -0.357 416 HA THR 52 HA THR 52 19.895 -2.501 -2.325 417 HB THR 52 HB THR 52 20.743 -3.750 -4.212 418 HG1 THR 52 HG1 THR 52 21.874 -5.286 -2.184 419 HG21 THR 52 HG21 THR 52 22.844 -2.583 -2.408 420 HG22 THR 52 HG22 THR 52 21.764 -1.683 -3.476 421 HG23 THR 52 HG23 THR 52 22.970 -2.777 -4.156 422 H GLU 53 HN GLU 53 19.821 -5.073 -4.137 423 HA GLU 53 HA GLU 53 17.893 -5.935 -5.045 424 HB2 GLU 53 HB2 GLU 53 18.253 -7.569 -2.544 425 HB3 GLU 53 HB1 GLU 53 17.630 -8.087 -4.095 426 HG2 GLU 53 HG2 GLU 53 19.806 -7.715 -5.120 427 HG3 GLU 53 HG1 GLU 53 20.444 -7.207 -3.558 428 H ARG 54 HN ARG 54 16.870 -3.759 -4.087 429 HA ARG 54 HA ARG 54 15.210 -3.650 -1.932 430 HB2 ARG 54 HB2 ARG 54 14.793 -2.495 -4.669 431 HB3 ARG 54 HB1 ARG 54 13.622 -2.226 -3.389 432 HG2 ARG 54 HG2 ARG 54 15.046 -0.346 -3.409 433 HG3 ARG 54 HG1 ARG 54 15.508 -1.304 -2.003 434 HD2 ARG 54 HD2 ARG 54 17.351 -2.278 -3.314 435 HD3 ARG 54 HD1 ARG 54 16.906 -1.242 -4.670 436 HE ARG 54 HE ARG 54 17.413 0.221 -2.256 437 HH11 ARG 54 HH11 ARG 54 18.856 -1.253 -5.085 438 HH12 ARG 54 HH12 ARG 54 20.294 -0.282 -5.024 439 HH21 ARG 54 HH21 ARG 54 19.321 1.513 -2.169 440 HH22 ARG 54 HH22 ARG 54 20.553 1.291 -3.373 441 H SER 55 HN SER 55 14.054 -4.848 -5.087 442 HA SER 55 HA SER 55 12.721 -6.592 -5.623 443 HB2 SER 55 HB2 SER 55 12.473 -7.118 -2.657 444 HB3 SER 55 HB1 SER 55 12.045 -8.228 -3.957 445 HG SER 55 HG SER 55 14.641 -7.255 -3.328 446 H ARG 56 HN ARG 56 11.414 -5.114 -2.679 447 HA ARG 56 HA ARG 56 9.624 -3.810 -2.308 448 HB2 ARG 56 HB2 ARG 56 9.778 -2.182 -3.824 449 HB3 ARG 56 HB1 ARG 56 10.456 -3.310 -4.989 450 HG2 ARG 56 HG2 ARG 56 7.491 -3.155 -4.630 451 HG3 ARG 56 HG1 ARG 56 8.332 -1.924 -5.573 452 HD2 ARG 56 HD2 ARG 56 9.400 -3.964 -6.781 453 HD3 ARG 56 HD1 ARG 56 8.036 -4.851 -6.107 454 HE ARG 56 HE ARG 56 6.976 -2.612 -7.330 455 HH11 ARG 56 HH11 ARG 56 8.795 -5.437 -8.268 456 HH12 ARG 56 HH12 ARG 56 8.220 -5.434 -9.902 457 HH21 ARG 56 HH21 ARG 56 6.202 -2.583 -9.493 458 HH22 ARG 56 HH22 ARG 56 6.748 -3.813 -10.597 459 H TRP 57 HN TRP 57 7.261 -3.476 -2.555 460 HA TRP 57 HA TRP 57 6.146 -6.197 -2.387 461 HB2 TRP 57 HB2 TRP 57 5.549 -3.631 -0.922 462 HB3 TRP 57 HB1 TRP 57 4.497 -5.023 -0.801 463 HD1 TRP 57 HD1 TRP 57 8.354 -4.784 -0.537 464 HE1 TRP 57 HE1 TRP 57 9.051 -5.804 1.704 465 HE3 TRP 57 HE3 TRP 57 3.728 -5.937 1.261 466 HZ2 TRP 57 HZ2 TRP 57 7.781 -6.956 3.961 467 HZ3 TRP 57 HZ3 TRP 57 3.549 -7.002 3.470 468 HH2 TRP 57 HH2 TRP 57 5.541 -7.501 4.790 469 H ASN 58 HN ASN 58 3.749 -6.348 -2.699 470 HA ASN 58 HA ASN 58 2.526 -4.147 -4.192 471 HB2 ASN 58 HB2 ASN 58 3.316 -5.565 -5.962 472 HB3 ASN 58 HB1 ASN 58 2.688 -7.008 -5.178 473 HD21 ASN 58 HD21 ASN 58 1.932 -4.181 -7.031 474 HD22 ASN 58 HD22 ASN 58 0.319 -4.636 -7.447 475 H CYS 59 HN CYS 59 0.521 -3.775 -3.442 476 HA CYS 59 HA CYS 59 -0.579 -5.703 -1.519 477 HB2 CYS 59 HB2 CYS 59 -1.427 -2.828 -1.868 478 HB3 CYS 59 HB1 CYS 59 -1.832 -3.907 -0.542 479 H LEU 60 HN LEU 60 -2.847 -6.246 -1.534 480 HA LEU 60 HA LEU 60 -4.200 -5.679 -4.080 481 HB2 LEU 60 HB2 LEU 60 -2.981 -7.858 -4.152 482 HB3 LEU 60 HB1 LEU 60 -3.916 -8.390 -2.772 483 HG LEU 60 HG LEU 60 -5.975 -8.202 -4.144 484 HD11 LEU 60 HD11 LEU 60 -5.744 -8.019 -6.578 485 HD12 LEU 60 HD12 LEU 60 -4.029 -7.664 -6.380 486 HD13 LEU 60 HD13 LEU 60 -5.240 -6.546 -5.753 487 HD21 LEU 60 HD21 LEU 60 -3.798 -9.974 -5.242 488 HD22 LEU 60 HD22 LEU 60 -5.529 -10.198 -5.493 489 HD23 LEU 60 HD23 LEU 60 -4.849 -10.335 -3.872 490 H PHE 61 HN PHE 61 -6.206 -4.907 -3.641 491 HA PHE 61 HA PHE 61 -7.152 -5.234 -0.868 492 HB2 PHE 61 HB2 PHE 61 -7.977 -3.306 -3.042 493 HB3 PHE 61 HB1 PHE 61 -8.883 -3.478 -1.555 494 HD1 PHE 61 HD1 PHE 61 -5.185 -3.485 -1.921 495 HD2 PHE 61 HD2 PHE 61 -8.626 -1.348 -0.660 496 HE1 PHE 61 HE1 PHE 61 -3.773 -1.748 -1.035 497 HE2 PHE 61 HE2 PHE 61 -7.207 0.441 0.189 498 HZ PHE 61 HZ PHE 61 -4.754 0.248 0.029 499 H ARG 62 HN ARG 62 -8.799 -6.503 -0.365 500 HA ARG 62 HA ARG 62 -10.541 -7.482 -2.550 501 HB2 ARG 62 HB2 ARG 62 -9.031 -9.232 -1.786 502 HB3 ARG 62 HB1 ARG 62 -9.470 -8.936 -0.111 503 HG2 ARG 62 HG2 ARG 62 -11.726 -9.721 -0.545 504 HG3 ARG 62 HG1 ARG 62 -11.328 -9.967 -2.246 505 HD2 ARG 62 HD2 ARG 62 -11.248 -12.067 -0.992 506 HD3 ARG 62 HD1 ARG 62 -9.667 -11.634 -1.638 507 HE ARG 62 HE ARG 62 -10.077 -10.741 1.061 508 HH11 ARG 62 HH11 ARG 62 -9.112 -13.441 -0.935 509 HH12 ARG 62 HH12 ARG 62 -8.140 -14.180 0.297 510 HH21 ARG 62 HH21 ARG 62 -8.800 -11.720 2.710 511 HH22 ARG 62 HH22 ARG 62 -7.970 -13.210 2.367 512 H GLN 63 HN GLN 63 -12.693 -7.451 -2.175 513 HA GLN 63 HA GLN 63 -13.880 -7.602 0.398 514 HB2 GLN 63 HB2 GLN 63 -13.197 -5.179 0.362 515 HB3 GLN 63 HB1 GLN 63 -14.247 -4.957 -1.029 516 HG2 GLN 63 HG2 GLN 63 -15.319 -4.220 1.025 517 HG3 GLN 63 HG1 GLN 63 -16.180 -5.576 0.300 518 HE21 GLN 63 HE21 GLN 63 -14.210 -4.520 2.960 519 HE22 GLN 63 HE22 GLN 63 -14.456 -5.914 3.959 520 H GLY 64 HN GLY 64 -15.254 -9.117 -0.244 521 HA2 GLY 64 HA2 GLY 64 -15.880 -9.595 -2.915 522 HA3 GLY 64 HA1 GLY 64 -16.636 -10.377 -1.543 523 H ILE 65 HN ILE 65 -17.405 -9.109 -4.249 524 HA ILE 65 HA ILE 65 -20.059 -8.548 -3.325 525 HB ILE 65 HB ILE 65 -19.362 -6.327 -3.421 526 HG12 ILE 65 HG12 ILE 65 -20.631 -5.380 -5.364 527 HG13 ILE 65 HG11 ILE 65 -20.791 -7.016 -5.992 528 HG21 ILE 65 HG21 ILE 65 -17.357 -7.039 -4.857 529 HG22 ILE 65 HG22 ILE 65 -17.940 -5.378 -4.907 530 HG23 ILE 65 HG23 ILE 65 -18.356 -6.496 -6.206 531 HD11 ILE 65 HD11 ILE 65 -22.010 -7.654 -3.964 532 HD12 ILE 65 HD12 ILE 65 -22.802 -6.350 -4.845 533 HD13 ILE 65 HD13 ILE 65 -21.883 -5.994 -3.384 534 H ASN 66 HN ASN 66 -18.640 -8.004 -6.507 535 HA ASN 66 HA ASN 66 -19.905 -10.473 -7.480 536 HB2 ASN 66 HB2 ASN 66 -19.157 -7.936 -8.962 537 HB3 ASN 66 HB1 ASN 66 -19.648 -9.421 -9.765 538 HD21 ASN 66 HD21 ASN 66 -20.674 -6.685 -7.936 539 HD22 ASN 66 HD22 ASN 66 -22.375 -6.957 -8.092 540 H MET 67 HN MET 67 -18.237 -10.412 -9.916 541 HA MET 67 HA MET 67 -15.823 -11.589 -8.980 542 HB2 MET 67 HB2 MET 67 -16.828 -12.083 -11.202 543 HB3 MET 67 HB1 MET 67 -16.432 -10.451 -11.720 544 HG2 MET 67 HG2 MET 67 -14.050 -10.942 -11.382 545 HG3 MET 67 HG1 MET 67 -14.473 -12.592 -10.931 546 HE1 MET 67 HE1 MET 67 -12.380 -11.836 -13.175 547 HE2 MET 67 HE2 MET 67 -12.808 -12.948 -14.474 548 HE3 MET 67 HE3 MET 67 -12.780 -13.512 -12.804 549 H LYS 68 HN LYS 68 -16.872 -8.401 -9.544 550 HA LYS 68 HA LYS 68 -14.245 -7.190 -9.629 551 HB2 LYS 68 HB2 LYS 68 -16.987 -5.973 -9.254 552 HB3 LYS 68 HB1 LYS 68 -15.506 -5.079 -9.564 553 HG2 LYS 68 HG2 LYS 68 -15.320 -6.234 -11.753 554 HG3 LYS 68 HG1 LYS 68 -16.895 -6.969 -11.443 555 HD2 LYS 68 HD2 LYS 68 -16.330 -4.007 -11.599 556 HD3 LYS 68 HD1 LYS 68 -17.095 -4.977 -12.857 557 HE2 LYS 68 HE2 LYS 68 -18.956 -5.473 -11.389 558 HE3 LYS 68 HE1 LYS 68 -18.176 -4.608 -10.067 559 HZ1 LYS 68 HZ1 LYS 68 -19.899 -3.293 -11.169 560 HZ2 LYS 68 HZ2 LYS 68 -19.039 -3.371 -12.621 561 HZ3 LYS 68 HZ3 LYS 68 -18.378 -2.565 -11.292 562 H PHE 69 HN PHE 69 -13.280 -7.806 -7.605 563 HA PHE 69 HA PHE 69 -14.233 -6.234 -5.374 564 HB2 PHE 69 HB2 PHE 69 -14.471 -8.076 -3.810 565 HB3 PHE 69 HB1 PHE 69 -15.549 -8.321 -5.174 566 HD1 PHE 69 HD1 PHE 69 -13.341 -9.891 -3.020 567 HD2 PHE 69 HD2 PHE 69 -14.432 -9.798 -7.130 568 HE1 PHE 69 HE1 PHE 69 -12.424 -12.156 -3.311 569 HE2 PHE 69 HE2 PHE 69 -13.520 -12.061 -7.429 570 HZ PHE 69 HZ PHE 69 -12.514 -13.245 -5.517 571 H PHE 70 HN PHE 70 -11.946 -5.829 -6.740 572 HA PHE 70 HA PHE 70 -9.860 -6.419 -4.833 573 HB2 PHE 70 HB2 PHE 70 -10.277 -7.908 -7.245 574 HB3 PHE 70 HB1 PHE 70 -8.646 -7.274 -7.144 575 HD1 PHE 70 HD1 PHE 70 -7.909 -7.508 -4.412 576 HD2 PHE 70 HD2 PHE 70 -10.353 -10.088 -6.724 577 HE1 PHE 70 HE1 PHE 70 -7.340 -9.360 -2.938 578 HE2 PHE 70 HE2 PHE 70 -9.800 -11.929 -5.281 579 HZ PHE 70 HZ PHE 70 -8.250 -11.533 -3.279 580 H THR 71 HN THR 71 -7.929 -5.310 -5.271 581 HA THR 71 HA THR 71 -7.531 -3.860 -7.701 582 HB THR 71 HB THR 71 -8.876 -2.255 -6.126 583 HG1 THR 71 HG1 THR 71 -8.087 -1.396 -7.969 584 HG21 THR 71 HG21 THR 71 -6.745 -0.864 -5.079 585 HG22 THR 71 HG22 THR 71 -6.330 -2.541 -4.709 586 HG23 THR 71 HG23 THR 71 -7.860 -1.864 -4.151 587 H GLU 72 HN GLU 72 -5.400 -3.462 -8.073 588 HA GLU 72 HA GLU 72 -3.666 -4.657 -6.033 589 HB2 GLU 72 HB2 GLU 72 -3.826 -6.076 -7.973 590 HB3 GLU 72 HB1 GLU 72 -3.529 -4.725 -9.051 591 HG2 GLU 72 HG2 GLU 72 -1.250 -4.555 -8.240 592 HG3 GLU 72 HG1 GLU 72 -1.546 -5.868 -7.100 593 H VAL 73 HN VAL 73 -2.254 -3.285 -5.154 594 HA VAL 73 HA VAL 73 -1.612 -0.813 -6.631 595 HB VAL 73 HB VAL 73 -1.432 -0.828 -3.681 596 HG11 VAL 73 HG11 VAL 73 -2.271 1.188 -5.750 597 HG12 VAL 73 HG12 VAL 73 -0.744 1.131 -4.867 598 HG13 VAL 73 HG13 VAL 73 -2.245 1.498 -4.017 599 HG21 VAL 73 HG21 VAL 73 -3.832 -0.169 -3.486 600 HG22 VAL 73 HG22 VAL 73 -3.566 -1.873 -3.864 601 HG23 VAL 73 HG23 VAL 73 -4.060 -0.752 -5.138 602 H GLU 74 HN GLU 74 0.544 -0.280 -6.790 603 HA GLU 74 HA GLU 74 2.460 -2.253 -6.022 604 HB2 GLU 74 HB2 GLU 74 2.705 -0.833 -8.061 605 HB3 GLU 74 HB1 GLU 74 3.015 0.534 -6.999 606 HG2 GLU 74 HG2 GLU 74 5.025 -0.388 -6.206 607 HG3 GLU 74 HG1 GLU 74 4.658 -1.967 -6.897 608 H ALA 75 HN ALA 75 3.787 -2.343 -4.404 609 HA ALA 75 HA ALA 75 3.704 -0.194 -2.405 610 HB1 ALA 75 HB1 ALA 75 3.882 -1.938 -0.707 611 HB2 ALA 75 HB2 ALA 75 3.697 -3.157 -1.964 612 HB3 ALA 75 HB3 ALA 75 2.382 -2.031 -1.624 613 H TYR 76 HN TYR 76 5.583 0.346 -3.793 614 HA TYR 76 HA TYR 76 7.945 -1.199 -3.676 615 HB2 TYR 76 HB2 TYR 76 7.510 0.646 -5.317 616 HB3 TYR 76 HB1 TYR 76 7.809 1.787 -4.010 617 HD1 TYR 76 HD1 TYR 76 9.326 0.804 -6.841 618 HD2 TYR 76 HD2 TYR 76 10.069 0.670 -2.624 619 HE1 TYR 76 HE1 TYR 76 11.749 0.725 -7.239 620 HE2 TYR 76 HE2 TYR 76 12.472 0.589 -3.039 621 HH TYR 76 HH TYR 76 13.886 1.385 -5.886 622 H ARG 77 HN ARG 77 8.347 -1.828 -1.759 623 HA ARG 77 HA ARG 77 9.839 -0.021 -0.097 624 HB2 ARG 77 HB2 ARG 77 7.545 -1.726 0.924 625 HB3 ARG 77 HB1 ARG 77 8.762 -1.010 1.966 626 HG2 ARG 77 HG2 ARG 77 7.331 0.697 2.169 627 HG3 ARG 77 HG1 ARG 77 7.872 1.166 0.559 628 HD2 ARG 77 HD2 ARG 77 5.829 -0.807 0.317 629 HD3 ARG 77 HD1 ARG 77 5.278 0.461 1.405 630 HE ARG 77 HE ARG 77 6.441 1.342 -1.103 631 HH11 ARG 77 HH11 ARG 77 3.561 0.744 0.782 632 HH12 ARG 77 HH12 ARG 77 2.491 1.466 -0.368 633 HH21 ARG 77 HH21 ARG 77 5.022 2.248 -2.668 634 HH22 ARG 77 HH22 ARG 77 3.322 2.311 -2.340 635 HA PRO 78 HA PRO 78 12.350 -3.591 -0.945 636 HB2 PRO 78 HB2 PRO 78 14.319 -3.045 0.914 637 HB3 PRO 78 HB1 PRO 78 14.247 -2.379 -0.718 638 HG2 PRO 78 HG2 PRO 78 13.413 -1.159 1.869 639 HG3 PRO 78 HG1 PRO 78 14.211 -0.407 0.474 640 HD2 PRO 78 HD2 PRO 78 11.595 -0.093 0.955 641 HD3 PRO 78 HD1 PRO 78 12.232 -0.187 -0.696 642 H ASP 79 HN ASP 79 12.866 -5.549 -0.102 643 HA ASP 79 HA ASP 79 11.386 -6.667 1.956 644 HB2 ASP 79 HB2 ASP 79 12.281 -8.103 0.307 645 HB3 ASP 79 HB1 ASP 79 13.912 -7.523 0.582 646 H LEU 80 HN LEU 80 12.278 -7.722 3.932 647 HA LEU 80 HA LEU 80 12.733 -6.001 5.878 648 HB2 LEU 80 HB2 LEU 80 12.275 -8.444 6.060 649 HB3 LEU 80 HB1 LEU 80 13.992 -8.693 5.891 650 HG LEU 80 HG LEU 80 12.869 -7.038 8.139 651 HD11 LEU 80 HD11 LEU 80 11.792 -9.222 8.231 652 HD12 LEU 80 HD12 LEU 80 12.971 -9.050 9.531 653 HD13 LEU 80 HD13 LEU 80 13.363 -10.014 8.108 654 HD21 LEU 80 HD21 LEU 80 14.951 -7.632 9.247 655 HD22 LEU 80 HD22 LEU 80 15.283 -6.862 7.695 656 HD23 LEU 80 HD23 LEU 80 15.430 -8.612 7.862 657 H LYS 81 HN LYS 81 15.311 -7.500 4.181 658 HA LYS 81 HA LYS 81 17.301 -6.172 5.847 659 HB2 LYS 81 HB2 LYS 81 17.694 -8.189 3.632 660 HB3 LYS 81 HB1 LYS 81 18.957 -7.571 4.681 661 HG2 LYS 81 HG2 LYS 81 18.484 -9.595 5.653 662 HG3 LYS 81 HG1 LYS 81 17.471 -8.502 6.595 663 HD2 LYS 81 HD2 LYS 81 16.105 -10.358 6.078 664 HD3 LYS 81 HD1 LYS 81 15.601 -9.071 4.986 665 HE2 LYS 81 HE2 LYS 81 17.063 -10.062 3.235 666 HE3 LYS 81 HE1 LYS 81 17.389 -11.406 4.329 667 HZ1 LYS 81 HZ1 LYS 81 14.751 -10.624 3.212 668 HZ2 LYS 81 HZ2 LYS 81 14.977 -11.840 4.370 669 HZ3 LYS 81 HZ3 LYS 81 15.642 -12.013 2.824 670 H HIS 82 HN HIS 82 15.667 -5.121 3.245 671 HA HIS 82 HA HIS 82 18.041 -4.309 1.717 672 HB2 HIS 82 HB2 HIS 82 15.204 -4.765 0.796 673 HB3 HIS 82 HB1 HIS 82 16.550 -4.282 -0.245 674 HD1 HIS 82 HD1 HIS 82 15.164 -7.216 1.616 675 HD2 HIS 82 HD2 HIS 82 18.482 -6.313 -0.710 676 HE1 HIS 82 HE1 HIS 82 16.281 -9.413 1.140 677 HE2 HIS 82 HE2 HIS 82 18.173 -8.857 -0.413 678 HA PRO 83 HA PRO 83 17.484 -0.150 2.674 679 HB2 PRO 83 HB2 PRO 83 19.126 0.966 0.945 680 HB3 PRO 83 HB1 PRO 83 19.698 -0.302 2.032 681 HG2 PRO 83 HG2 PRO 83 19.074 -0.431 -0.864 682 HG3 PRO 83 HG1 PRO 83 20.284 -1.320 0.068 683 HD2 PRO 83 HD2 PRO 83 17.698 -2.217 -0.707 684 HD3 PRO 83 HD1 PRO 83 18.856 -3.053 0.340 685 H LEU 84 HN LEU 84 16.568 1.707 2.420 686 HA LEU 84 HA LEU 84 16.747 3.464 0.390 687 HB2 LEU 84 HB2 LEU 84 14.077 2.077 0.309 688 HB3 LEU 84 HB1 LEU 84 14.220 3.758 -0.111 689 HG LEU 84 HG LEU 84 15.289 1.370 -1.578 690 HD11 LEU 84 HD11 LEU 84 13.682 3.756 -2.465 691 HD12 LEU 84 HD12 LEU 84 13.017 2.176 -2.054 692 HD13 LEU 84 HD13 LEU 84 14.100 2.345 -3.438 693 HD21 LEU 84 HD21 LEU 84 16.439 2.974 -3.089 694 HD22 LEU 84 HD22 LEU 84 17.167 2.848 -1.490 695 HD23 LEU 84 HD23 LEU 84 16.157 4.236 -1.890 696 H CYS 85 HN CYS 85 15.169 5.408 0.936 697 HA CYS 85 HA CYS 85 14.146 5.315 3.571 698 HB2 CYS 85 HB2 CYS 85 15.803 6.314 4.875 699 HB3 CYS 85 HB1 CYS 85 16.691 5.200 3.803 700 H GLY 86 HN GLY 86 14.900 6.910 0.816 701 HA2 GLY 86 HA2 GLY 86 13.488 9.349 1.541 702 HA3 GLY 86 HA1 GLY 86 14.243 9.015 -0.012 703 H LYS 87 HN LYS 87 12.484 6.360 0.914 704 HA LYS 87 HA LYS 87 10.184 7.241 -0.694 705 HB2 LYS 87 HB2 LYS 87 11.754 4.698 -0.772 706 HB3 LYS 87 HB1 LYS 87 10.043 4.671 -1.173 707 HG2 LYS 87 HG2 LYS 87 11.366 4.845 -3.184 708 HG3 LYS 87 HG1 LYS 87 10.432 6.319 -2.944 709 HD2 LYS 87 HD2 LYS 87 12.427 7.430 -2.048 710 HD3 LYS 87 HD1 LYS 87 13.358 5.952 -2.296 711 HE2 LYS 87 HE2 LYS 87 13.014 6.087 -4.683 712 HE3 LYS 87 HE1 LYS 87 11.951 7.479 -4.484 713 HZ1 LYS 87 HZ1 LYS 87 14.226 8.064 -5.181 714 HZ2 LYS 87 HZ2 LYS 87 14.821 7.444 -3.724 715 HZ3 LYS 87 HZ3 LYS 87 13.786 8.781 -3.715 716 H ARG 88 HN ARG 88 8.371 7.263 0.349 717 HA ARG 88 HA ARG 88 7.554 5.032 2.002 718 HB2 ARG 88 HB2 ARG 88 8.585 6.633 3.613 719 HB3 ARG 88 HB1 ARG 88 7.446 7.858 3.074 720 HG2 ARG 88 HG2 ARG 88 5.593 6.383 3.830 721 HG3 ARG 88 HG1 ARG 88 6.804 5.285 4.497 722 HD2 ARG 88 HD2 ARG 88 7.642 7.102 5.920 723 HD3 ARG 88 HD1 ARG 88 6.411 8.174 5.264 724 HE ARG 88 HE ARG 88 5.748 5.738 6.805 725 HH11 ARG 88 HH11 ARG 88 5.305 9.159 6.128 726 HH12 ARG 88 HH12 ARG 88 4.016 9.341 7.272 727 HH21 ARG 88 HH21 ARG 88 4.075 5.992 8.316 728 HH22 ARG 88 HH22 ARG 88 3.324 7.543 8.530 729 H TYR 89 HN TYR 89 5.678 4.501 1.012 730 HA TYR 89 HA TYR 89 4.105 6.714 -0.140 731 HB2 TYR 89 HB2 TYR 89 4.298 3.884 -1.180 732 HB3 TYR 89 HB1 TYR 89 3.354 5.184 -1.889 733 HD1 TYR 89 HD1 TYR 89 4.423 6.918 -3.207 734 HD2 TYR 89 HD2 TYR 89 6.713 3.804 -1.431 735 HE1 TYR 89 HE1 TYR 89 6.322 7.488 -4.664 736 HE2 TYR 89 HE2 TYR 89 8.619 4.372 -2.875 737 HH TYR 89 HH TYR 89 8.968 5.473 -5.102 738 H GLU 90 HN GLU 90 2.028 6.863 0.359 739 HA GLU 90 HA GLU 90 0.764 4.725 1.906 740 HB2 GLU 90 HB2 GLU 90 0.546 6.867 2.953 741 HB3 GLU 90 HB1 GLU 90 0.050 7.624 1.447 742 HG2 GLU 90 HG2 GLU 90 -1.964 6.050 1.537 743 HG3 GLU 90 HG1 GLU 90 -1.505 5.777 3.217 744 H LEU 91 HN LEU 91 -0.681 3.441 1.010 745 HA LEU 91 HA LEU 91 -2.041 4.386 -1.420 746 HB2 LEU 91 HB2 LEU 91 -2.433 1.571 -0.850 747 HB3 LEU 91 HB1 LEU 91 -1.939 2.350 -2.325 748 HG LEU 91 HG LEU 91 -0.017 1.707 -0.089 749 HD11 LEU 91 HD11 LEU 91 -1.044 -0.297 -1.232 750 HD12 LEU 91 HD12 LEU 91 0.712 -0.168 -1.332 751 HD13 LEU 91 HD13 LEU 91 -0.284 0.275 -2.716 752 HD21 LEU 91 HD21 LEU 91 0.443 2.559 -2.945 753 HD22 LEU 91 HD22 LEU 91 1.691 2.161 -1.766 754 HD23 LEU 91 HD23 LEU 91 0.665 3.573 -1.519 755 H SER 92 HN SER 92 -3.966 5.128 -0.928 756 HA SER 92 HA SER 92 -5.265 3.978 1.445 757 HB2 SER 92 HB2 SER 92 -6.270 6.356 1.630 758 HB3 SER 92 HB1 SER 92 -4.591 6.120 2.109 759 HG SER 92 HG SER 92 -4.009 7.452 0.620 760 H ALA 93 HN ALA 93 -7.232 3.326 1.317 761 HA ALA 93 HA ALA 93 -8.594 3.484 -1.223 762 HB1 ALA 93 HB1 ALA 93 -10.266 2.197 0.453 763 HB2 ALA 93 HB2 ALA 93 -8.675 1.813 1.134 764 HB3 ALA 93 HB3 ALA 93 -9.037 1.436 -0.557 765 H ARG 94 HN ARG 94 -9.352 5.371 -1.498 766 HA ARG 94 HA ARG 94 -10.773 6.680 0.762 767 HB2 ARG 94 HB2 ARG 94 -9.300 8.060 -1.496 768 HB3 ARG 94 HB1 ARG 94 -10.103 8.837 -0.141 769 HG2 ARG 94 HG2 ARG 94 -8.453 7.556 1.332 770 HG3 ARG 94 HG1 ARG 94 -7.559 7.261 -0.160 771 HD2 ARG 94 HD2 ARG 94 -7.469 9.689 -0.561 772 HD3 ARG 94 HD1 ARG 94 -8.305 9.959 0.966 773 HE ARG 94 HE ARG 94 -5.756 8.505 0.977 774 HH11 ARG 94 HH11 ARG 94 -7.575 11.404 1.777 775 HH12 ARG 94 HH12 ARG 94 -6.345 12.031 2.828 776 HH21 ARG 94 HH21 ARG 94 -4.142 9.333 2.369 777 HH22 ARG 94 HH22 ARG 94 -4.401 10.865 3.158 778 H MET 95 HN MET 95 -12.215 8.095 0.365 779 HA MET 95 HA MET 95 -14.505 7.649 -0.533 780 HB2 MET 95 HB2 MET 95 -13.444 10.267 -1.537 781 HB3 MET 95 HB1 MET 95 -14.937 9.937 -0.670 782 HG2 MET 95 HG2 MET 95 -13.723 9.632 1.394 783 HG3 MET 95 HG1 MET 95 -12.172 9.801 0.572 784 HE1 MET 95 HE1 MET 95 -11.351 12.058 -0.546 785 HE2 MET 95 HE2 MET 95 -12.245 13.576 -0.498 786 HE3 MET 95 HE3 MET 95 -12.842 12.231 -1.471 787 H ASP 96 HN ASP 96 -12.186 9.027 -2.870 788 HA ASP 96 HA ASP 96 -13.915 8.462 -5.112 789 HB2 ASP 96 HB2 ASP 96 -11.091 9.549 -5.020 790 HB3 ASP 96 HB1 ASP 96 -12.106 9.473 -6.456 791 H ALA 97 HN ALA 97 -10.556 7.560 -4.324 792 HA ALA 97 HA ALA 97 -10.894 4.960 -5.581 793 HB1 ALA 97 HB1 ALA 97 -9.265 7.188 -6.730 794 HB2 ALA 97 HB2 ALA 97 -10.305 6.031 -7.557 795 HB3 ALA 97 HB3 ALA 97 -8.714 5.519 -6.949 796 H ILE 98 HN ILE 98 -8.411 4.102 -5.764 797 HA ILE 98 HA ILE 98 -7.282 4.240 -3.096 798 HB ILE 98 HB ILE 98 -6.542 2.627 -5.554 799 HG12 ILE 98 HG12 ILE 98 -8.586 2.161 -4.014 800 HG13 ILE 98 HG11 ILE 98 -7.525 0.824 -4.449 801 HG21 ILE 98 HG21 ILE 98 -4.543 3.339 -4.044 802 HG22 ILE 98 HG22 ILE 98 -4.750 1.614 -4.342 803 HG23 ILE 98 HG23 ILE 98 -5.269 2.300 -2.799 804 HD11 ILE 98 HD11 ILE 98 -8.105 0.751 -2.132 805 HD12 ILE 98 HD12 ILE 98 -7.502 2.409 -1.915 806 HD13 ILE 98 HD13 ILE 98 -6.386 1.099 -2.315 807 H TYR 99 HN TYR 99 -5.939 5.741 -2.590 808 HA TYR 99 HA TYR 99 -4.740 7.391 -4.679 809 HB2 TYR 99 HB2 TYR 99 -5.102 7.729 -1.705 810 HB3 TYR 99 HB1 TYR 99 -4.106 8.818 -2.654 811 HD1 TYR 99 HD1 TYR 99 -7.469 7.307 -3.325 812 HD2 TYR 99 HD2 TYR 99 -5.173 10.843 -2.802 813 HE1 TYR 99 HE1 TYR 99 -9.449 8.670 -3.849 814 HE2 TYR 99 HE2 TYR 99 -7.142 12.210 -3.324 815 HH TYR 99 HH TYR 99 -10.278 10.993 -3.409 816 H PHE 100 HN PHE 100 -2.574 7.570 -5.036 817 HA PHE 100 HA PHE 100 -0.774 5.988 -3.338 818 HB2 PHE 100 HB2 PHE 100 -1.254 4.486 -5.115 819 HB3 PHE 100 HB1 PHE 100 -1.129 5.759 -6.322 820 HD1 PHE 100 HD1 PHE 100 0.721 5.648 -7.662 821 HD2 PHE 100 HD2 PHE 100 1.028 4.310 -3.640 822 HE1 PHE 100 HE1 PHE 100 3.070 5.043 -8.048 823 HE2 PHE 100 HE2 PHE 100 3.379 3.701 -4.014 824 HZ PHE 100 HZ PHE 100 4.414 4.111 -6.228 825 H LYS 101 HN LYS 101 0.241 7.823 -2.513 826 HA LYS 101 HA LYS 101 2.246 8.948 -4.277 827 HB2 LYS 101 HB2 LYS 101 0.078 10.592 -3.092 828 HB3 LYS 101 HB1 LYS 101 1.692 11.270 -3.122 829 HG2 LYS 101 HG2 LYS 101 1.704 10.795 -5.601 830 HG3 LYS 101 HG1 LYS 101 -0.016 10.439 -5.448 831 HD2 LYS 101 HD2 LYS 101 0.226 12.721 -6.145 832 HD3 LYS 101 HD1 LYS 101 -0.335 12.706 -4.472 833 HE2 LYS 101 HE2 LYS 101 1.388 14.381 -4.747 834 HE3 LYS 101 HE1 LYS 101 1.982 13.082 -3.718 835 HZ1 LYS 101 HZ1 LYS 101 2.589 13.438 -6.602 836 HZ2 LYS 101 HZ2 LYS 101 3.142 12.161 -5.642 837 HZ3 LYS 101 HZ3 LYS 101 3.647 13.740 -5.318 838 H MET 102 HN MET 102 4.065 9.774 -3.178 839 HA MET 102 HA MET 102 4.138 9.170 -0.314 840 HB2 MET 102 HB2 MET 102 6.595 9.733 -0.564 841 HB3 MET 102 HB1 MET 102 6.047 8.325 -1.461 842 HG2 MET 102 HG2 MET 102 5.999 9.609 -3.510 843 HG3 MET 102 HG1 MET 102 6.441 11.071 -2.631 844 HE1 MET 102 HE1 MET 102 10.103 10.385 -1.561 845 HE2 MET 102 HE2 MET 102 8.623 10.198 -0.621 846 HE3 MET 102 HE3 MET 102 8.819 11.586 -1.690 847 H ASP 103 HN ASP 103 2.776 10.861 0.354 848 HA ASP 103 HA ASP 103 4.038 13.520 0.290 849 HB2 ASP 103 HB2 ASP 103 1.797 13.112 -1.016 850 HB3 ASP 103 HB1 ASP 103 1.079 13.245 0.583 851 H GLU 104 HN GLU 104 2.508 14.810 2.193 852 HA GLU 104 HA GLU 104 3.274 13.442 4.596 853 HB2 GLU 104 HB2 GLU 104 2.444 15.416 5.747 854 HB3 GLU 104 HB1 GLU 104 3.507 15.864 4.429 855 HG2 GLU 104 HG2 GLU 104 1.669 16.517 3.080 856 HG3 GLU 104 HG1 GLU 104 0.519 15.858 4.239 857 H ARG 105 HN ARG 105 0.204 14.440 3.105 858 HA ARG 105 HA ARG 105 -1.033 12.127 4.300 859 HB2 ARG 105 HB2 ARG 105 -2.841 13.267 5.335 860 HB3 ARG 105 HB1 ARG 105 -1.342 13.981 5.897 861 HG2 ARG 105 HG2 ARG 105 -1.665 15.927 4.605 862 HG3 ARG 105 HG1 ARG 105 -2.999 15.195 3.713 863 HD2 ARG 105 HD2 ARG 105 -3.005 15.777 6.670 864 HD3 ARG 105 HD1 ARG 105 -3.738 16.805 5.441 865 HE ARG 105 HE ARG 105 -4.721 14.139 5.274 866 HH11 ARG 105 HH11 ARG 105 -5.003 17.087 7.138 867 HH12 ARG 105 HH12 ARG 105 -6.634 16.771 7.636 868 HH21 ARG 105 HH21 ARG 105 -6.871 13.710 5.944 869 HH22 ARG 105 HH22 ARG 105 -7.690 14.850 6.964 870 HA PRO 106 HA PRO 106 -3.749 13.412 0.701 871 HB2 PRO 106 HB2 PRO 106 -3.248 15.553 -0.836 872 HB3 PRO 106 HB1 PRO 106 -4.062 15.688 0.723 873 HG2 PRO 106 HG2 PRO 106 -1.332 16.471 -0.041 874 HG3 PRO 106 HG1 PRO 106 -2.340 17.062 1.287 875 HD2 PRO 106 HD2 PRO 106 -0.231 15.109 1.381 876 HD3 PRO 106 HD1 PRO 106 -1.221 15.719 2.717 877 HA PRO 107 HA PRO 107 -1.075 11.813 -2.549 878 HB2 PRO 107 HB2 PRO 107 -2.344 9.373 -2.639 879 HB3 PRO 107 HB1 PRO 107 -1.004 9.752 -1.558 880 HG2 PRO 107 HG2 PRO 107 -3.725 9.205 -0.843 881 HG3 PRO 107 HG1 PRO 107 -2.380 9.621 0.229 882 HD2 PRO 107 HD2 PRO 107 -4.504 11.365 -0.908 883 HD3 PRO 107 HD1 PRO 107 -3.598 11.522 0.615 884 H GLN 108 HN GLN 108 -1.922 10.399 -4.608 885 HA GLN 108 HA GLN 108 -4.349 11.768 -5.569 886 HB2 GLN 108 HB2 GLN 108 -1.781 11.171 -7.023 887 HB3 GLN 108 HB1 GLN 108 -3.275 11.555 -7.869 888 HG2 GLN 108 HG2 GLN 108 -3.364 13.717 -6.758 889 HG3 GLN 108 HG1 GLN 108 -1.887 13.333 -5.875 890 HE21 GLN 108 HE21 GLN 108 -2.468 15.501 -7.750 891 HE22 GLN 108 HE22 GLN 108 -1.290 15.368 -9.008 892 HA PRO 109 HA PRO 109 -6.207 7.823 -6.390 893 HB2 PRO 109 HB2 PRO 109 -7.201 9.181 -8.838 894 HB3 PRO 109 HB1 PRO 109 -8.102 8.316 -7.596 895 HG2 PRO 109 HG2 PRO 109 -8.171 10.962 -7.689 896 HG3 PRO 109 HG1 PRO 109 -8.066 10.121 -6.130 897 HD2 PRO 109 HD2 PRO 109 -5.924 11.526 -7.675 898 HD3 PRO 109 HD1 PRO 109 -6.219 11.494 -5.925 899 H LEU 110 HN LEU 110 -5.113 6.126 -7.196 900 HA LEU 110 HA LEU 110 -4.053 6.364 -9.921 901 HB2 LEU 110 HB2 LEU 110 -2.364 6.543 -7.985 902 HB3 LEU 110 HB1 LEU 110 -2.648 4.834 -7.753 903 HG LEU 110 HG LEU 110 -0.589 5.589 -9.116 904 HD11 LEU 110 HD11 LEU 110 -0.714 3.628 -10.547 905 HD12 LEU 110 HD12 LEU 110 -2.446 3.504 -10.236 906 HD13 LEU 110 HD13 LEU 110 -1.294 3.272 -8.921 907 HD21 LEU 110 HD21 LEU 110 -2.696 5.810 -11.256 908 HD22 LEU 110 HD22 LEU 110 -0.951 5.912 -11.484 909 HD23 LEU 110 HD23 LEU 110 -1.793 7.158 -10.564 910 H ASN 111 HN ASN 111 -5.957 4.675 -7.740 911 HA ASN 111 HA ASN 111 -6.455 2.516 -9.586 912 HB2 ASN 111 HB2 ASN 111 -4.924 2.054 -7.046 913 HB3 ASN 111 HB1 ASN 111 -6.139 0.869 -7.512 914 HD21 ASN 111 HD21 ASN 111 -5.860 -0.287 -9.452 915 HD22 ASN 111 HD22 ASN 111 -4.296 -0.463 -10.169 916 H LYS 112 HN LYS 112 -8.167 0.989 -8.166 917 HA LYS 112 HA LYS 112 -9.526 2.771 -6.348 918 HB2 LYS 112 HB2 LYS 112 -11.687 2.241 -7.438 919 HB3 LYS 112 HB1 LYS 112 -10.590 3.209 -8.388 920 HG2 LYS 112 HG2 LYS 112 -9.948 1.190 -9.650 921 HG3 LYS 112 HG1 LYS 112 -11.154 0.280 -8.737 922 HD2 LYS 112 HD2 LYS 112 -12.068 0.926 -10.882 923 HD3 LYS 112 HD1 LYS 112 -12.902 1.797 -9.594 924 HE2 LYS 112 HE2 LYS 112 -11.547 3.770 -10.027 925 HE3 LYS 112 HE1 LYS 112 -10.652 2.900 -11.271 926 HZ1 LYS 112 HZ1 LYS 112 -12.375 4.344 -12.193 927 HZ2 LYS 112 HZ2 LYS 112 -13.561 3.479 -11.356 928 HZ3 LYS 112 HZ3 LYS 112 -12.659 2.720 -12.566 929 H TRP 113 HN TRP 113 -10.393 1.912 -4.717 930 HA TRP 113 HA TRP 113 -9.670 -0.599 -3.796 931 HB2 TRP 113 HB2 TRP 113 -11.417 -0.072 -1.976 932 HB3 TRP 113 HB1 TRP 113 -10.102 1.071 -2.192 933 HD1 TRP 113 HD1 TRP 113 -10.679 3.429 -3.365 934 HE1 TRP 113 HE1 TRP 113 -12.877 4.744 -3.565 935 HE3 TRP 113 HE3 TRP 113 -13.977 -0.290 -2.141 936 HZ2 TRP 113 HZ2 TRP 113 -15.637 4.272 -3.253 937 HZ3 TRP 113 HZ3 TRP 113 -16.381 0.231 -2.112 938 HH2 TRP 113 HH2 TRP 113 -17.193 2.468 -2.657 939 H ARG 114 HN ARG 114 -10.265 -2.343 -4.927 940 HA ARG 114 HA ARG 114 -11.448 -3.914 -5.945 941 HB2 ARG 114 HB2 ARG 114 -13.491 -4.658 -4.503 942 HB3 ARG 114 HB1 ARG 114 -11.820 -4.951 -4.051 943 HG2 ARG 114 HG2 ARG 114 -12.716 -4.195 -2.067 944 HG3 ARG 114 HG1 ARG 114 -12.124 -2.681 -2.751 945 HD2 ARG 114 HD2 ARG 114 -14.328 -2.283 -1.936 946 HD3 ARG 114 HD1 ARG 114 -14.412 -2.308 -3.696 947 HE ARG 114 HE ARG 114 -14.954 -4.877 -2.611 948 HH11 ARG 114 HH11 ARG 114 -16.406 -1.755 -3.243 949 HH12 ARG 114 HH12 ARG 114 -18.029 -2.352 -3.124 950 HH21 ARG 114 HH21 ARG 114 -17.080 -5.652 -2.437 951 HH22 ARG 114 HH22 ARG 114 -18.416 -4.564 -2.668 952 H SER 115 HN SER 115 -12.655 -4.337 -7.459 953 HA SER 115 HA SER 115 -14.022 -3.994 -9.227 954 HB2 SER 115 HB2 SER 115 -15.907 -4.021 -7.683 955 HB3 SER 115 HB1 SER 115 -15.638 -2.323 -7.339 956 HG SER 115 HG SER 115 -16.068 -1.908 -9.576 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 19.230 10.470 1.233 2 H2 ALA 1 HT2 ALA 1 19.450 8.820 0.938 3 H3 ALA 1 HT3 ALA 1 20.785 9.808 1.242 4 HA ALA 1 HA ALA 1 20.099 10.182 3.481 5 HB1 ALA 1 HB1 ALA 1 17.752 8.415 2.795 6 HB2 ALA 1 HB2 ALA 1 17.690 10.153 3.083 7 HB3 ALA 1 HB3 ALA 1 18.131 9.058 4.393 8 H MET 2 HN MET 2 21.333 8.999 4.817 9 HA MET 2 HA MET 2 22.055 6.305 3.917 10 HB2 MET 2 HB2 MET 2 24.063 6.540 5.271 11 HB3 MET 2 HB1 MET 2 23.903 7.896 4.166 12 HG2 MET 2 HG2 MET 2 22.908 9.188 6.082 13 HG3 MET 2 HG1 MET 2 23.408 7.860 7.125 14 HE1 MET 2 HE1 MET 2 26.141 6.992 5.647 15 HE2 MET 2 HE2 MET 2 25.980 7.103 7.399 16 HE3 MET 2 HE3 MET 2 27.317 7.912 6.584 17 H GLY 3 HN GLY 3 22.955 5.082 6.138 18 HA2 GLY 3 HA2 GLY 3 22.202 3.869 7.956 19 HA3 GLY 3 HA1 GLY 3 21.003 5.128 8.237 20 H CYS 4 HN CYS 4 19.477 3.352 8.667 21 HA CYS 4 HA CYS 4 18.067 2.909 6.210 22 HB2 CYS 4 HB2 CYS 4 19.557 0.917 6.347 23 HB3 CYS 4 HB1 CYS 4 18.742 0.471 7.847 24 H LYS 5 HN LYS 5 16.603 4.276 7.170 25 HA LYS 5 HA LYS 5 14.956 3.751 9.309 26 HB2 LYS 5 HB2 LYS 5 14.653 5.753 8.165 27 HB3 LYS 5 HB1 LYS 5 14.524 4.904 6.658 28 HG2 LYS 5 HG2 LYS 5 12.349 5.437 6.928 29 HG3 LYS 5 HG1 LYS 5 12.372 3.893 7.771 30 HD2 LYS 5 HD2 LYS 5 12.703 6.577 9.116 31 HD3 LYS 5 HD1 LYS 5 11.176 5.708 8.996 32 HE2 LYS 5 HE2 LYS 5 12.197 3.822 10.225 33 HE3 LYS 5 HE1 LYS 5 13.669 4.768 10.405 34 HZ1 LYS 5 HZ1 LYS 5 12.400 6.429 11.626 35 HZ2 LYS 5 HZ2 LYS 5 12.309 4.916 12.376 36 HZ3 LYS 5 HZ3 LYS 5 10.999 5.491 11.474 37 H GLU 6 HN GLU 6 13.418 2.152 9.731 38 HA GLU 6 HA GLU 6 12.966 0.044 7.912 39 HB2 GLU 6 HB2 GLU 6 11.075 0.946 10.082 40 HB3 GLU 6 HB1 GLU 6 11.204 -0.658 9.362 41 HG2 GLU 6 HG2 GLU 6 13.418 -0.911 10.284 42 HG3 GLU 6 HG1 GLU 6 13.315 0.693 11.008 43 H ILE 7 HN ILE 7 12.033 0.245 6.016 44 HA ILE 7 HA ILE 7 10.528 2.591 5.368 45 HB ILE 7 HB ILE 7 11.207 0.150 3.759 46 HG12 ILE 7 HG12 ILE 7 13.176 1.183 3.806 47 HG13 ILE 7 HG11 ILE 7 12.474 2.154 2.555 48 HG21 ILE 7 HG21 ILE 7 9.930 2.681 2.813 49 HG22 ILE 7 HG22 ILE 7 9.171 1.082 2.831 50 HG23 ILE 7 HG23 ILE 7 10.554 1.401 1.783 51 HD11 ILE 7 HD11 ILE 7 11.864 3.839 4.132 52 HD12 ILE 7 HD12 ILE 7 13.613 3.523 4.193 53 HD13 ILE 7 HD13 ILE 7 12.536 2.870 5.441 54 H GLU 8 HN GLU 8 8.469 2.874 5.490 55 HA GLU 8 HA GLU 8 6.777 0.556 6.099 56 HB2 GLU 8 HB2 GLU 8 6.415 3.465 6.821 57 HB3 GLU 8 HB1 GLU 8 5.297 2.175 7.227 58 HG2 GLU 8 HG2 GLU 8 6.927 1.146 8.655 59 HG3 GLU 8 HG1 GLU 8 8.151 2.314 8.161 60 H ILE 9 HN ILE 9 4.982 0.177 4.959 61 HA ILE 9 HA ILE 9 4.159 2.190 3.002 62 HB ILE 9 HB ILE 9 3.041 -0.194 2.126 63 HG12 ILE 9 HG12 ILE 9 5.328 -0.941 3.548 64 HG13 ILE 9 HG11 ILE 9 4.384 -1.926 2.458 65 HG21 ILE 9 HG21 ILE 9 3.846 1.768 0.855 66 HG22 ILE 9 HG22 ILE 9 4.265 0.205 0.146 67 HG23 ILE 9 HG23 ILE 9 5.478 1.122 1.043 68 HD11 ILE 9 HD11 ILE 9 6.679 -2.003 1.818 69 HD12 ILE 9 HD12 ILE 9 6.745 -0.240 1.746 70 HD13 ILE 9 HD13 ILE 9 5.741 -1.129 0.606 71 H VAL 10 HN VAL 10 2.411 3.127 3.732 72 HA VAL 10 HA VAL 10 0.740 1.738 5.660 73 HB VAL 10 HB VAL 10 0.669 3.724 6.617 74 HG11 VAL 10 HG11 VAL 10 1.512 5.797 5.545 75 HG12 VAL 10 HG12 VAL 10 1.734 4.883 4.053 76 HG13 VAL 10 HG13 VAL 10 2.653 4.454 5.496 77 HG21 VAL 10 HG21 VAL 10 -0.848 5.430 5.697 78 HG22 VAL 10 HG22 VAL 10 -1.532 3.799 5.651 79 HG23 VAL 10 HG23 VAL 10 -0.879 4.532 4.178 80 H ILE 11 HN ILE 11 -1.137 0.905 5.282 81 HA ILE 11 HA ILE 11 -2.423 1.440 2.702 82 HB ILE 11 HB ILE 11 -2.819 -0.960 4.489 83 HG12 ILE 11 HG12 ILE 11 -0.517 -0.892 3.687 84 HG13 ILE 11 HG11 ILE 11 -1.421 -2.188 2.898 85 HG21 ILE 11 HG21 ILE 11 -4.185 -1.832 2.890 86 HG22 ILE 11 HG22 ILE 11 -3.373 -0.961 1.585 87 HG23 ILE 11 HG23 ILE 11 -4.507 -0.108 2.648 88 HD11 ILE 11 HD11 ILE 11 -1.668 -0.942 0.938 89 HD12 ILE 11 HD12 ILE 11 0.029 -0.794 1.409 90 HD13 ILE 11 HD13 ILE 11 -1.106 0.529 1.725 91 H LYS 12 HN LYS 12 -3.906 2.918 3.017 92 HA LYS 12 HA LYS 12 -5.439 2.904 5.532 93 HB2 LYS 12 HB2 LYS 12 -4.082 4.988 4.421 94 HB3 LYS 12 HB1 LYS 12 -5.708 5.246 3.755 95 HG2 LYS 12 HG2 LYS 12 -6.598 5.076 6.071 96 HG3 LYS 12 HG1 LYS 12 -4.930 5.052 6.637 97 HD2 LYS 12 HD2 LYS 12 -6.197 7.260 5.018 98 HD3 LYS 12 HD1 LYS 12 -5.922 7.302 6.760 99 HE2 LYS 12 HE2 LYS 12 -3.506 7.058 6.351 100 HE3 LYS 12 HE1 LYS 12 -3.814 7.101 4.617 101 HZ1 LYS 12 HZ1 LYS 12 -4.402 9.284 6.542 102 HZ2 LYS 12 HZ2 LYS 12 -4.735 9.324 4.883 103 HZ3 LYS 12 HZ3 LYS 12 -3.133 9.256 5.422 104 H ASN 13 HN ASN 13 -7.667 3.727 5.332 105 HA ASN 13 HA ASN 13 -8.879 3.740 2.706 106 HB2 ASN 13 HB2 ASN 13 -9.191 1.418 3.456 107 HB3 ASN 13 HB1 ASN 13 -9.932 1.983 4.947 108 HD21 ASN 13 HD21 ASN 13 -10.945 0.246 2.832 109 HD22 ASN 13 HD22 ASN 13 -12.411 0.971 2.281 110 H THR 14 HN THR 14 -10.461 5.275 2.634 111 HA THR 14 HA THR 14 -11.674 6.341 4.931 112 HB THR 14 HB THR 14 -9.599 7.278 5.506 113 HG1 THR 14 HG1 THR 14 -10.666 9.067 5.875 114 HG21 THR 14 HG21 THR 14 -8.336 8.622 3.872 115 HG22 THR 14 HG22 THR 14 -9.524 8.138 2.650 116 HG23 THR 14 HG23 THR 14 -8.498 6.915 3.432 117 H LEU 15 HN LEU 15 -13.296 5.737 3.069 118 HA LEU 15 HA LEU 15 -13.675 7.970 1.357 119 HB2 LEU 15 HB2 LEU 15 -15.682 5.773 1.917 120 HB3 LEU 15 HB1 LEU 15 -15.790 6.978 0.696 121 HG LEU 15 HG LEU 15 -14.043 6.045 -0.568 122 HD11 LEU 15 HD11 LEU 15 -13.557 4.333 1.785 123 HD12 LEU 15 HD12 LEU 15 -12.560 5.619 1.066 124 HD13 LEU 15 HD13 LEU 15 -12.819 4.103 0.180 125 HD21 LEU 15 HD21 LEU 15 -16.186 4.922 -0.851 126 HD22 LEU 15 HD22 LEU 15 -15.801 3.839 0.486 127 HD23 LEU 15 HD23 LEU 15 -14.862 3.770 -1.006 128 H GLY 16 HN GLY 16 -14.875 6.584 4.267 129 HA2 GLY 16 HA2 GLY 16 -15.394 8.794 5.734 130 HA3 GLY 16 HA1 GLY 16 -16.912 8.494 4.872 131 HA PRO 17 HA PRO 17 -16.891 6.376 9.065 132 HB2 PRO 17 HB2 PRO 17 -19.682 5.923 8.765 133 HB3 PRO 17 HB1 PRO 17 -18.885 7.117 9.789 134 HG2 PRO 17 HG2 PRO 17 -20.088 7.434 7.102 135 HG3 PRO 17 HG1 PRO 17 -19.918 8.619 8.407 136 HD2 PRO 17 HD2 PRO 17 -18.397 8.727 6.204 137 HD3 PRO 17 HD1 PRO 17 -17.745 9.155 7.799 138 H SER 18 HN SER 18 -16.450 4.330 9.361 139 HA SER 18 HA SER 18 -16.317 2.074 9.208 140 HB2 SER 18 HB2 SER 18 -19.125 2.332 8.104 141 HB3 SER 18 HB1 SER 18 -18.401 0.870 8.777 142 HG SER 18 HG SER 18 -18.711 3.307 10.204 143 H ARG 19 HN ARG 19 -15.274 3.522 7.000 144 HA ARG 19 HA ARG 19 -15.778 1.855 4.694 145 HB2 ARG 19 HB2 ARG 19 -14.318 4.327 5.257 146 HB3 ARG 19 HB1 ARG 19 -13.501 3.271 4.147 147 HG2 ARG 19 HG2 ARG 19 -14.918 4.978 3.129 148 HG3 ARG 19 HG1 ARG 19 -15.339 3.332 2.645 149 HD2 ARG 19 HD2 ARG 19 -17.207 3.315 4.183 150 HD3 ARG 19 HD1 ARG 19 -16.731 4.884 4.825 151 HE ARG 19 HE ARG 19 -17.323 4.843 1.993 152 HH11 ARG 19 HH11 ARG 19 -18.624 5.267 5.220 153 HH12 ARG 19 HH12 ARG 19 -19.947 6.263 4.693 154 HH21 ARG 19 HH21 ARG 19 -19.056 6.160 1.297 155 HH22 ARG 19 HH22 ARG 19 -20.191 6.772 2.458 156 H ILE 20 HN ILE 20 -14.965 -0.129 4.680 157 HA ILE 20 HA ILE 20 -12.168 -0.429 5.499 158 HB ILE 20 HB ILE 20 -13.861 -2.824 5.884 159 HG12 ILE 20 HG12 ILE 20 -14.936 -0.748 6.985 160 HG13 ILE 20 HG11 ILE 20 -14.817 -2.237 7.895 161 HG21 ILE 20 HG21 ILE 20 -11.595 -1.671 7.463 162 HG22 ILE 20 HG22 ILE 20 -11.381 -2.824 6.150 163 HG23 ILE 20 HG23 ILE 20 -12.252 -3.290 7.616 164 HD11 ILE 20 HD11 ILE 20 -13.983 0.278 8.649 165 HD12 ILE 20 HD12 ILE 20 -12.502 -0.580 8.176 166 HD13 ILE 20 HD13 ILE 20 -13.556 -1.263 9.408 167 H LEU 21 HN LEU 21 -10.995 -1.688 4.384 168 HA LEU 21 HA LEU 21 -12.087 -3.304 2.181 169 HB2 LEU 21 HB2 LEU 21 -9.752 -1.379 2.079 170 HB3 LEU 21 HB1 LEU 21 -9.827 -2.753 0.964 171 HG LEU 21 HG LEU 21 -11.722 -0.409 1.158 172 HD11 LEU 21 HD11 LEU 21 -9.703 -0.121 -0.186 173 HD12 LEU 21 HD12 LEU 21 -11.166 -0.104 -1.167 174 HD13 LEU 21 HD13 LEU 21 -10.145 -1.541 -1.137 175 HD21 LEU 21 HD21 LEU 21 -13.015 -1.545 -0.644 176 HD22 LEU 21 HD22 LEU 21 -13.149 -2.307 0.938 177 HD23 LEU 21 HD23 LEU 21 -12.107 -3.017 -0.296 178 H GLN 22 HN GLN 22 -10.048 -5.071 1.724 179 HA GLN 22 HA GLN 22 -8.451 -5.148 4.199 180 HB2 GLN 22 HB2 GLN 22 -10.361 -6.779 4.341 181 HB3 GLN 22 HB1 GLN 22 -9.731 -7.588 2.909 182 HG2 GLN 22 HG2 GLN 22 -7.555 -7.674 4.224 183 HG3 GLN 22 HG1 GLN 22 -8.567 -7.400 5.636 184 HE21 GLN 22 HE21 GLN 22 -9.585 -9.223 2.819 185 HE22 GLN 22 HE22 GLN 22 -9.673 -10.755 3.612 186 H TYR 23 HN TYR 23 -6.319 -5.165 3.607 187 HA TYR 23 HA TYR 23 -5.741 -5.773 0.800 188 HB2 TYR 23 HB2 TYR 23 -3.892 -4.372 0.867 189 HB3 TYR 23 HB1 TYR 23 -5.082 -3.516 1.828 190 HD1 TYR 23 HD1 TYR 23 -4.933 -3.709 4.327 191 HD2 TYR 23 HD2 TYR 23 -1.811 -4.963 1.773 192 HE1 TYR 23 HE1 TYR 23 -3.359 -3.588 6.221 193 HE2 TYR 23 HE2 TYR 23 -0.219 -4.854 3.636 194 HH TYR 23 HH TYR 23 0.013 -3.727 5.800 195 H HIS 24 HN HIS 24 -4.214 -7.145 0.156 196 HA HIS 24 HA HIS 24 -2.712 -8.616 2.214 197 HB2 HIS 24 HB2 HIS 24 -4.097 -10.105 0.872 198 HB3 HIS 24 HB1 HIS 24 -3.439 -9.433 -0.610 199 HD1 HIS 24 HD1 HIS 24 -1.114 -10.099 2.210 200 HD2 HIS 24 HD2 HIS 24 -2.361 -11.969 -1.299 201 HE1 HIS 24 HE1 HIS 24 0.579 -11.914 1.759 202 HE2 HIS 24 HE2 HIS 24 -0.325 -13.164 -0.234 203 H CYS 25 HN CYS 25 -0.736 -7.666 2.382 204 HA CYS 25 HA CYS 25 0.575 -7.109 -0.174 205 HB2 CYS 25 HB2 CYS 25 -0.046 -5.141 1.491 206 HB3 CYS 25 HB1 CYS 25 1.454 -5.639 2.259 207 H ARG 26 HN ARG 26 2.820 -7.463 -0.300 208 HA ARG 26 HA ARG 26 4.079 -8.949 1.839 209 HB2 ARG 26 HB2 ARG 26 4.485 -10.956 0.516 210 HB3 ARG 26 HB1 ARG 26 2.759 -10.686 0.702 211 HG2 ARG 26 HG2 ARG 26 2.640 -9.780 -1.550 212 HG3 ARG 26 HG1 ARG 26 4.381 -10.000 -1.740 213 HD2 ARG 26 HD2 ARG 26 2.306 -12.148 -1.349 214 HD3 ARG 26 HD1 ARG 26 3.234 -11.824 -2.811 215 HE ARG 26 HE ARG 26 4.248 -13.028 -0.330 216 HH11 ARG 26 HH11 ARG 26 4.763 -12.077 -3.660 217 HH12 ARG 26 HH12 ARG 26 6.179 -13.055 -3.853 218 HH21 ARG 26 HH21 ARG 26 6.141 -14.299 -0.575 219 HH22 ARG 26 HH22 ARG 26 6.967 -14.311 -2.099 220 H SER 27 HN SER 27 6.300 -9.183 1.563 221 HA SER 27 HA SER 27 7.505 -7.520 -0.521 222 HB2 SER 27 HB2 SER 27 8.221 -7.163 1.828 223 HB3 SER 27 HB1 SER 27 8.725 -8.848 1.925 224 HG SER 27 HG SER 27 10.552 -7.780 1.435 225 H GLY 28 HN GLY 28 9.421 -8.419 -1.626 226 HA2 GLY 28 HA2 GLY 28 8.908 -11.074 -2.596 227 HA3 GLY 28 HA1 GLY 28 10.215 -10.010 -3.099 228 H ASN 29 HN ASN 29 9.190 -11.599 -0.131 229 HA ASN 29 HA ASN 29 11.298 -13.272 0.400 230 HB2 ASN 29 HB2 ASN 29 12.760 -11.263 0.178 231 HB3 ASN 29 HB1 ASN 29 11.880 -10.504 1.497 232 HD21 ASN 29 HD21 ASN 29 12.197 -11.241 3.611 233 HD22 ASN 29 HD22 ASN 29 13.543 -12.246 4.026 234 H THR 30 HN THR 30 9.336 -10.690 1.773 235 HA THR 30 HA THR 30 8.807 -12.353 4.139 236 HB THR 30 HB THR 30 9.238 -9.375 4.102 237 HG1 THR 30 HG1 THR 30 10.942 -10.835 5.640 238 HG21 THR 30 HG21 THR 30 9.151 -9.526 6.538 239 HG22 THR 30 HG22 THR 30 8.807 -11.252 6.424 240 HG23 THR 30 HG23 THR 30 7.638 -10.079 5.818 241 H ASN 31 HN ASN 31 6.701 -12.827 4.248 242 HA ASN 31 HA ASN 31 4.720 -11.106 2.998 243 HB2 ASN 31 HB2 ASN 31 4.396 -13.697 4.537 244 HB3 ASN 31 HB1 ASN 31 3.104 -12.851 3.689 245 HD21 ASN 31 HD21 ASN 31 5.938 -14.808 3.375 246 HD22 ASN 31 HD22 ASN 31 5.760 -15.156 1.690 247 H VAL 32 HN VAL 32 3.410 -9.709 4.055 248 HA VAL 32 HA VAL 32 3.943 -9.338 6.865 249 HB VAL 32 HB VAL 32 3.967 -7.232 6.505 250 HG11 VAL 32 HG11 VAL 32 3.903 -6.374 4.290 251 HG12 VAL 32 HG12 VAL 32 2.999 -7.784 3.732 252 HG13 VAL 32 HG13 VAL 32 4.657 -7.970 4.305 253 HG21 VAL 32 HG21 VAL 32 1.981 -6.007 6.105 254 HG22 VAL 32 HG22 VAL 32 1.596 -7.435 7.073 255 HG23 VAL 32 HG23 VAL 32 1.210 -7.408 5.355 256 H GLY 33 HN GLY 33 1.159 -9.928 4.748 257 HA2 GLY 33 HA2 GLY 33 -0.333 -11.532 6.109 258 HA3 GLY 33 HA1 GLY 33 -0.504 -10.114 7.131 259 H VAL 34 HN VAL 34 -2.761 -10.561 6.561 260 HA VAL 34 HA VAL 34 -3.543 -9.030 4.195 261 HB VAL 34 HB VAL 34 -4.828 -11.675 4.860 262 HG11 VAL 34 HG11 VAL 34 -5.084 -9.784 2.527 263 HG12 VAL 34 HG12 VAL 34 -6.285 -10.073 3.782 264 HG13 VAL 34 HG13 VAL 34 -5.870 -11.361 2.645 265 HG21 VAL 34 HG21 VAL 34 -2.957 -11.096 2.578 266 HG22 VAL 34 HG22 VAL 34 -3.644 -12.657 3.036 267 HG23 VAL 34 HG23 VAL 34 -2.448 -11.870 4.075 268 H GLN 35 HN GLN 35 -4.342 -7.388 5.679 269 HA GLN 35 HA GLN 35 -6.826 -7.953 6.983 270 HB2 GLN 35 HB2 GLN 35 -4.360 -7.330 8.579 271 HB3 GLN 35 HB1 GLN 35 -5.959 -6.927 9.181 272 HG2 GLN 35 HG2 GLN 35 -6.571 -9.291 9.012 273 HG3 GLN 35 HG1 GLN 35 -4.924 -9.665 8.524 274 HE21 GLN 35 HE21 GLN 35 -4.572 -10.964 10.331 275 HE22 GLN 35 HE22 GLN 35 -4.342 -10.298 11.912 276 H TYR 36 HN TYR 36 -7.651 -6.101 8.286 277 HA TYR 36 HA TYR 36 -6.933 -3.713 6.836 278 HB2 TYR 36 HB2 TYR 36 -9.012 -5.088 6.026 279 HB3 TYR 36 HB1 TYR 36 -9.700 -3.757 6.998 280 HD1 TYR 36 HD1 TYR 36 -6.781 -4.282 4.703 281 HD2 TYR 36 HD2 TYR 36 -9.952 -1.813 6.065 282 HE1 TYR 36 HE1 TYR 36 -6.159 -2.647 3.035 283 HE2 TYR 36 HE2 TYR 36 -9.310 -0.106 4.360 284 HH TYR 36 HH TYR 36 -7.190 -0.740 1.793 285 H LEU 37 HN LEU 37 -8.296 -1.854 7.361 286 HA LEU 37 HA LEU 37 -9.252 -1.679 10.074 287 HB2 LEU 37 HB2 LEU 37 -6.705 -1.094 9.873 288 HB3 LEU 37 HB1 LEU 37 -7.289 0.398 9.166 289 HG LEU 37 HG LEU 37 -8.418 1.007 11.200 290 HD11 LEU 37 HD11 LEU 37 -7.642 -1.738 12.175 291 HD12 LEU 37 HD12 LEU 37 -9.274 -1.115 11.925 292 HD13 LEU 37 HD13 LEU 37 -8.266 -0.453 13.210 293 HD21 LEU 37 HD21 LEU 37 -6.538 1.142 12.747 294 HD22 LEU 37 HD22 LEU 37 -6.030 1.489 11.095 295 HD23 LEU 37 HD23 LEU 37 -5.676 -0.080 11.815 296 H ASN 38 HN ASN 38 -9.742 0.973 10.231 297 HA ASN 38 HA ASN 38 -11.882 1.096 8.264 298 HB2 ASN 38 HB2 ASN 38 -13.052 2.486 9.899 299 HB3 ASN 38 HB1 ASN 38 -12.549 0.958 10.603 300 HD21 ASN 38 HD21 ASN 38 -13.210 3.510 11.861 301 HD22 ASN 38 HD22 ASN 38 -11.828 3.933 12.815 302 H PHE 39 HN PHE 39 -12.801 3.469 8.287 303 HA PHE 39 HA PHE 39 -11.231 5.004 6.566 304 HB2 PHE 39 HB2 PHE 39 -13.352 5.540 6.191 305 HB3 PHE 39 HB1 PHE 39 -13.837 5.134 7.831 306 HD1 PHE 39 HD1 PHE 39 -12.403 7.804 5.729 307 HD2 PHE 39 HD2 PHE 39 -14.191 6.789 9.437 308 HE1 PHE 39 HE1 PHE 39 -12.669 10.195 6.237 309 HE2 PHE 39 HE2 PHE 39 -14.460 9.184 9.971 310 HZ PHE 39 HZ PHE 39 -13.707 10.893 8.345 311 H LYS 40 HN LYS 40 -11.140 4.801 9.886 312 HA LYS 40 HA LYS 40 -9.584 7.286 10.059 313 HB2 LYS 40 HB2 LYS 40 -11.815 6.528 11.535 314 HB3 LYS 40 HB1 LYS 40 -10.452 6.273 12.616 315 HG2 LYS 40 HG2 LYS 40 -11.058 8.842 11.158 316 HG3 LYS 40 HG1 LYS 40 -11.461 8.510 12.842 317 HD2 LYS 40 HD2 LYS 40 -9.109 8.279 13.388 318 HD3 LYS 40 HD1 LYS 40 -8.669 8.495 11.694 319 HE2 LYS 40 HE2 LYS 40 -8.339 10.550 12.983 320 HE3 LYS 40 HE1 LYS 40 -9.560 10.756 11.728 321 HZ1 LYS 40 HZ1 LYS 40 -10.227 11.757 13.833 322 HZ2 LYS 40 HZ2 LYS 40 -10.129 10.255 14.598 323 HZ3 LYS 40 HZ3 LYS 40 -11.279 10.512 13.388 324 H GLY 41 HN GLY 41 -8.573 4.683 9.249 325 HA2 GLY 41 HA2 GLY 41 -6.558 4.394 11.319 326 HA3 GLY 41 HA1 GLY 41 -7.564 2.992 11.022 327 H THR 42 HN THR 42 -4.680 3.618 10.667 328 HA THR 42 HA THR 42 -4.333 2.936 7.829 329 HB THR 42 HB THR 42 -1.840 3.245 8.594 330 HG1 THR 42 HG1 THR 42 -1.766 4.916 10.241 331 HG21 THR 42 HG21 THR 42 -1.966 5.589 7.958 332 HG22 THR 42 HG22 THR 42 -3.707 5.587 8.242 333 HG23 THR 42 HG23 THR 42 -3.025 4.609 6.938 334 H ARG 43 HN ARG 43 -3.236 1.092 7.238 335 HA ARG 43 HA ARG 43 -2.464 -0.765 9.380 336 HB2 ARG 43 HB2 ARG 43 -3.527 -1.376 6.646 337 HB3 ARG 43 HB1 ARG 43 -2.795 -2.576 7.689 338 HG2 ARG 43 HG2 ARG 43 -5.217 -0.971 8.446 339 HG3 ARG 43 HG1 ARG 43 -5.294 -2.546 7.660 340 HD2 ARG 43 HD2 ARG 43 -5.551 -2.957 9.973 341 HD3 ARG 43 HD1 ARG 43 -3.904 -3.434 9.572 342 HE ARG 43 HE ARG 43 -4.008 -0.739 10.495 343 HH11 ARG 43 HH11 ARG 43 -4.124 -4.065 11.603 344 HH12 ARG 43 HH12 ARG 43 -3.481 -3.692 13.173 345 HH21 ARG 43 HH21 ARG 43 -3.191 -0.253 12.579 346 HH22 ARG 43 HH22 ARG 43 -2.955 -1.537 13.722 347 H ILE 44 HN ILE 44 -0.294 -0.775 9.503 348 HA ILE 44 HA ILE 44 1.021 0.293 7.122 349 HB ILE 44 HB ILE 44 2.008 0.566 9.956 350 HG12 ILE 44 HG12 ILE 44 1.396 3.050 9.245 351 HG13 ILE 44 HG11 ILE 44 0.232 2.218 8.223 352 HG21 ILE 44 HG21 ILE 44 3.630 2.037 9.050 353 HG22 ILE 44 HG22 ILE 44 2.805 2.078 7.492 354 HG23 ILE 44 HG23 ILE 44 3.644 0.607 8.005 355 HD11 ILE 44 HD11 ILE 44 -0.779 2.897 10.322 356 HD12 ILE 44 HD12 ILE 44 0.437 1.989 11.220 357 HD13 ILE 44 HD13 ILE 44 -0.723 1.139 10.197 358 H ILE 45 HN ILE 45 2.413 -0.745 6.130 359 HA ILE 45 HA ILE 45 3.520 -3.212 7.084 360 HB ILE 45 HB ILE 45 3.944 -1.778 4.553 361 HG12 ILE 45 HG12 ILE 45 2.176 -4.088 5.071 362 HG13 ILE 45 HG11 ILE 45 1.639 -2.424 5.165 363 HG21 ILE 45 HG21 ILE 45 4.576 -4.005 3.696 364 HG22 ILE 45 HG22 ILE 45 4.517 -4.606 5.352 365 HG23 ILE 45 HG23 ILE 45 5.697 -3.373 4.900 366 HD11 ILE 45 HD11 ILE 45 2.643 -3.904 2.808 367 HD12 ILE 45 HD12 ILE 45 2.606 -2.143 2.871 368 HD13 ILE 45 HD13 ILE 45 1.101 -3.068 3.007 369 H LYS 46 HN LYS 46 5.812 -3.583 7.045 370 HA LYS 46 HA LYS 46 7.547 -1.386 6.500 371 HB2 LYS 46 HB2 LYS 46 8.692 -1.385 8.720 372 HB3 LYS 46 HB1 LYS 46 7.055 -0.753 8.764 373 HG2 LYS 46 HG2 LYS 46 6.281 -2.944 9.623 374 HG3 LYS 46 HG1 LYS 46 7.967 -3.466 9.689 375 HD2 LYS 46 HD2 LYS 46 7.253 -2.704 11.879 376 HD3 LYS 46 HD1 LYS 46 8.459 -1.597 11.221 377 HE2 LYS 46 HE2 LYS 46 6.671 -0.068 10.530 378 HE3 LYS 46 HE1 LYS 46 5.469 -1.173 11.193 379 HZ1 LYS 46 HZ1 LYS 46 6.500 -0.859 13.381 380 HZ2 LYS 46 HZ2 LYS 46 5.904 0.588 12.740 381 HZ3 LYS 46 HZ3 LYS 46 7.565 0.275 12.716 382 H PHE 47 HN PHE 47 9.816 -1.981 6.613 383 HA PHE 47 HA PHE 47 10.543 -4.744 6.567 384 HB2 PHE 47 HB2 PHE 47 10.403 -3.227 3.937 385 HB3 PHE 47 HB1 PHE 47 11.262 -4.743 4.170 386 HD1 PHE 47 HD1 PHE 47 8.509 -3.465 2.712 387 HD2 PHE 47 HD2 PHE 47 9.539 -6.538 5.476 388 HE1 PHE 47 HE1 PHE 47 6.449 -4.667 2.141 389 HE2 PHE 47 HE2 PHE 47 7.478 -7.747 4.897 390 HZ PHE 47 HZ PHE 47 5.932 -6.811 3.227 391 H LYS 48 HN LYS 48 12.418 -4.524 7.533 392 HA LYS 48 HA LYS 48 13.642 -1.878 7.368 393 HB2 LYS 48 HB2 LYS 48 14.480 -2.327 9.615 394 HB3 LYS 48 HB1 LYS 48 12.718 -2.440 9.475 395 HG2 LYS 48 HG2 LYS 48 14.242 -4.964 9.208 396 HG3 LYS 48 HG1 LYS 48 14.189 -4.226 10.807 397 HD2 LYS 48 HD2 LYS 48 11.714 -4.132 10.616 398 HD3 LYS 48 HD1 LYS 48 11.836 -5.013 9.096 399 HE2 LYS 48 HE2 LYS 48 12.914 -6.874 10.270 400 HE3 LYS 48 HE1 LYS 48 12.773 -5.991 11.789 401 HZ1 LYS 48 HZ1 LYS 48 10.359 -6.028 11.518 402 HZ2 LYS 48 HZ2 LYS 48 11.001 -7.591 11.574 403 HZ3 LYS 48 HZ3 LYS 48 10.523 -6.927 10.094 404 H ASP 49 HN ASP 49 14.041 -4.592 5.915 405 HA ASP 49 HA ASP 49 16.799 -4.100 5.319 406 HB2 ASP 49 HB2 ASP 49 16.978 -5.615 7.302 407 HB3 ASP 49 HB1 ASP 49 16.068 -6.827 6.405 408 H ASP 50 HN ASP 50 16.430 -3.900 3.207 409 HA ASP 50 HA ASP 50 14.758 -5.877 1.847 410 HB2 ASP 50 HB2 ASP 50 14.823 -4.256 -0.073 411 HB3 ASP 50 HB1 ASP 50 14.058 -3.630 1.382 412 H GLY 51 HN GLY 51 16.527 -7.394 2.201 413 HA2 GLY 51 HA2 GLY 51 19.034 -7.206 0.991 414 HA3 GLY 51 HA1 GLY 51 18.193 -8.710 1.332 415 H THR 52 HN THR 52 16.053 -8.656 -0.323 416 HA THR 52 HA THR 52 17.126 -8.214 -3.017 417 HB THR 52 HB THR 52 16.276 -10.387 -3.742 418 HG1 THR 52 HG1 THR 52 15.585 -10.545 -1.060 419 HG21 THR 52 HG21 THR 52 18.142 -11.722 -2.843 420 HG22 THR 52 HG22 THR 52 18.425 -10.466 -1.637 421 HG23 THR 52 HG23 THR 52 18.641 -10.110 -3.350 422 H GLU 53 HN GLU 53 15.676 -7.544 -4.493 423 HA GLU 53 HA GLU 53 12.893 -7.264 -3.632 424 HB2 GLU 53 HB2 GLU 53 14.496 -5.941 -5.825 425 HB3 GLU 53 HB1 GLU 53 12.768 -5.721 -5.631 426 HG2 GLU 53 HG2 GLU 53 13.118 -4.754 -3.426 427 HG3 GLU 53 HG1 GLU 53 14.854 -5.011 -3.585 428 H ARG 54 HN ARG 54 13.289 -9.794 -4.120 429 HA ARG 54 HA ARG 54 13.385 -10.720 -6.764 430 HB2 ARG 54 HB2 ARG 54 11.994 -12.092 -4.463 431 HB3 ARG 54 HB1 ARG 54 12.672 -12.847 -5.897 432 HG2 ARG 54 HG2 ARG 54 14.913 -12.243 -5.176 433 HG3 ARG 54 HG1 ARG 54 14.246 -11.440 -3.751 434 HD2 ARG 54 HD2 ARG 54 13.218 -13.639 -3.119 435 HD3 ARG 54 HD1 ARG 54 14.143 -14.372 -4.429 436 HE ARG 54 HE ARG 54 15.685 -12.845 -2.503 437 HH11 ARG 54 HH11 ARG 54 14.461 -15.986 -3.449 438 HH12 ARG 54 HH12 ARG 54 15.636 -16.868 -2.529 439 HH21 ARG 54 HH21 ARG 54 17.233 -14.002 -1.282 440 HH22 ARG 54 HH22 ARG 54 17.216 -15.736 -1.293 441 H SER 55 HN SER 55 10.587 -10.287 -4.632 442 HA SER 55 HA SER 55 8.879 -10.206 -7.022 443 HB2 SER 55 HB2 SER 55 8.528 -12.243 -5.617 444 HB3 SER 55 HB1 SER 55 8.088 -11.198 -4.263 445 HG SER 55 HG SER 55 6.339 -10.434 -5.516 446 H ARG 56 HN ARG 56 10.228 -8.424 -4.720 447 HA ARG 56 HA ARG 56 9.895 -6.433 -3.718 448 HB2 ARG 56 HB2 ARG 56 9.437 -6.397 -6.447 449 HB3 ARG 56 HB1 ARG 56 8.086 -5.509 -5.782 450 HG2 ARG 56 HG2 ARG 56 9.558 -3.964 -4.671 451 HG3 ARG 56 HG1 ARG 56 10.961 -4.914 -5.154 452 HD2 ARG 56 HD2 ARG 56 10.236 -4.469 -7.553 453 HD3 ARG 56 HD1 ARG 56 9.138 -3.264 -6.881 454 HE ARG 56 HE ARG 56 11.734 -2.833 -5.860 455 HH11 ARG 56 HH11 ARG 56 9.922 -2.508 -8.848 456 HH12 ARG 56 HH12 ARG 56 10.948 -1.258 -9.476 457 HH21 ARG 56 HH21 ARG 56 13.065 -1.199 -6.675 458 HH22 ARG 56 HH22 ARG 56 12.738 -0.503 -8.231 459 H TRP 57 HN TRP 57 7.398 -4.796 -4.255 460 HA TRP 57 HA TRP 57 5.803 -6.171 -2.207 461 HB2 TRP 57 HB2 TRP 57 6.162 -3.186 -2.309 462 HB3 TRP 57 HB1 TRP 57 5.593 -4.186 -0.970 463 HD1 TRP 57 HD1 TRP 57 7.472 -5.624 0.347 464 HE1 TRP 57 HE1 TRP 57 9.992 -5.239 0.628 465 HE3 TRP 57 HE3 TRP 57 8.212 -2.247 -3.406 466 HZ2 TRP 57 HZ2 TRP 57 12.032 -3.701 -0.555 467 HZ3 TRP 57 HZ3 TRP 57 10.478 -1.369 -3.766 468 HH2 TRP 57 HH2 TRP 57 12.349 -2.081 -2.370 469 H ASN 58 HN ASN 58 3.704 -6.269 -2.498 470 HA ASN 58 HA ASN 58 2.319 -4.383 -4.207 471 HB2 ASN 58 HB2 ASN 58 3.073 -6.167 -5.752 472 HB3 ASN 58 HB1 ASN 58 2.262 -7.353 -4.743 473 HD21 ASN 58 HD21 ASN 58 1.000 -8.025 -6.471 474 HD22 ASN 58 HD22 ASN 58 -0.329 -7.082 -7.047 475 H CYS 59 HN CYS 59 0.324 -3.960 -3.337 476 HA CYS 59 HA CYS 59 -0.627 -5.823 -1.258 477 HB2 CYS 59 HB2 CYS 59 -1.482 -2.920 -1.349 478 HB3 CYS 59 HB1 CYS 59 -1.512 -4.045 -0.005 479 H LEU 60 HN LEU 60 -2.766 -6.524 -1.360 480 HA LEU 60 HA LEU 60 -4.192 -5.737 -3.809 481 HB2 LEU 60 HB2 LEU 60 -4.117 -8.463 -2.508 482 HB3 LEU 60 HB1 LEU 60 -4.967 -8.040 -3.978 483 HG LEU 60 HG LEU 60 -1.967 -7.997 -3.664 484 HD11 LEU 60 HD11 LEU 60 -1.995 -10.009 -5.051 485 HD12 LEU 60 HD12 LEU 60 -3.758 -10.017 -5.001 486 HD13 LEU 60 HD13 LEU 60 -2.833 -10.264 -3.521 487 HD21 LEU 60 HD21 LEU 60 -3.736 -7.685 -6.086 488 HD22 LEU 60 HD22 LEU 60 -1.977 -7.810 -6.113 489 HD23 LEU 60 HD23 LEU 60 -2.751 -6.428 -5.338 490 H PHE 61 HN PHE 61 -6.162 -4.926 -3.373 491 HA PHE 61 HA PHE 61 -7.053 -5.206 -0.609 492 HB2 PHE 61 HB2 PHE 61 -7.925 -3.293 -2.804 493 HB3 PHE 61 HB1 PHE 61 -8.688 -3.378 -1.230 494 HD1 PHE 61 HD1 PHE 61 -5.172 -3.843 -1.461 495 HD2 PHE 61 HD2 PHE 61 -8.207 -0.936 -0.952 496 HE1 PHE 61 HE1 PHE 61 -3.523 -2.327 -0.533 497 HE2 PHE 61 HE2 PHE 61 -6.563 0.644 -0.082 498 HZ PHE 61 HZ PHE 61 -4.411 0.289 -0.099 499 H ARG 62 HN ARG 62 -8.587 -6.661 -0.205 500 HA ARG 62 HA ARG 62 -10.577 -7.211 -2.295 501 HB2 ARG 62 HB2 ARG 62 -10.453 -9.636 -1.656 502 HB3 ARG 62 HB1 ARG 62 -9.032 -9.024 -2.485 503 HG2 ARG 62 HG2 ARG 62 -7.868 -8.832 -0.336 504 HG3 ARG 62 HG1 ARG 62 -9.292 -9.479 0.481 505 HD2 ARG 62 HD2 ARG 62 -7.662 -10.893 -1.624 506 HD3 ARG 62 HD1 ARG 62 -7.601 -11.207 0.110 507 HE ARG 62 HE ARG 62 -10.139 -11.679 -0.287 508 HH11 ARG 62 HH11 ARG 62 -7.468 -12.531 -2.390 509 HH12 ARG 62 HH12 ARG 62 -8.251 -13.942 -3.023 510 HH21 ARG 62 HH21 ARG 62 -11.171 -13.542 -1.128 511 HH22 ARG 62 HH22 ARG 62 -10.350 -14.517 -2.305 512 H GLN 63 HN GLN 63 -12.487 -6.774 -1.510 513 HA GLN 63 HA GLN 63 -13.036 -7.318 1.332 514 HB2 GLN 63 HB2 GLN 63 -13.471 -5.011 0.664 515 HB3 GLN 63 HB1 GLN 63 -14.494 -5.561 -0.653 516 HG2 GLN 63 HG2 GLN 63 -16.111 -6.432 0.915 517 HG3 GLN 63 HG1 GLN 63 -15.064 -6.006 2.268 518 HE21 GLN 63 HE21 GLN 63 -17.785 -5.147 1.671 519 HE22 GLN 63 HE22 GLN 63 -17.730 -3.420 1.587 520 H GLY 64 HN GLY 64 -13.609 -8.272 -1.871 521 HA2 GLY 64 HA2 GLY 64 -15.896 -9.923 -1.027 522 HA3 GLY 64 HA1 GLY 64 -15.703 -9.283 -2.650 523 H ILE 65 HN ILE 65 -14.248 -10.272 -4.082 524 HA ILE 65 HA ILE 65 -13.165 -12.813 -3.233 525 HB ILE 65 HB ILE 65 -15.322 -13.536 -3.565 526 HG12 ILE 65 HG12 ILE 65 -15.292 -14.875 -5.677 527 HG13 ILE 65 HG11 ILE 65 -13.847 -13.997 -6.167 528 HG21 ILE 65 HG21 ILE 65 -15.546 -12.130 -6.191 529 HG22 ILE 65 HG22 ILE 65 -15.920 -11.345 -4.659 530 HG23 ILE 65 HG23 ILE 65 -16.829 -12.776 -5.165 531 HD11 ILE 65 HD11 ILE 65 -14.102 -15.744 -3.730 532 HD12 ILE 65 HD12 ILE 65 -12.650 -14.882 -4.240 533 HD13 ILE 65 HD13 ILE 65 -13.304 -16.179 -5.241 534 H ASN 66 HN ASN 66 -14.091 -11.377 -6.343 535 HA ASN 66 HA ASN 66 -11.387 -11.948 -7.332 536 HB2 ASN 66 HB2 ASN 66 -12.473 -12.025 -9.604 537 HB3 ASN 66 HB1 ASN 66 -12.979 -13.304 -8.513 538 HD21 ASN 66 HD21 ASN 66 -14.882 -13.668 -9.602 539 HD22 ASN 66 HD22 ASN 66 -16.212 -12.565 -9.556 540 H MET 67 HN MET 67 -11.958 -10.375 -9.790 541 HA MET 67 HA MET 67 -10.942 -7.899 -9.179 542 HB2 MET 67 HB2 MET 67 -11.820 -7.114 -11.326 543 HB3 MET 67 HB1 MET 67 -11.138 -8.727 -11.473 544 HG2 MET 67 HG2 MET 67 -13.337 -9.706 -11.475 545 HG3 MET 67 HG1 MET 67 -14.074 -8.132 -11.179 546 HE1 MET 67 HE1 MET 67 -15.167 -8.957 -14.852 547 HE2 MET 67 HE2 MET 67 -15.715 -8.538 -13.229 548 HE3 MET 67 HE3 MET 67 -14.967 -10.106 -13.529 549 H LYS 68 HN LYS 68 -14.208 -8.991 -8.731 550 HA LYS 68 HA LYS 68 -15.281 -6.345 -8.281 551 HB2 LYS 68 HB2 LYS 68 -16.426 -9.086 -7.672 552 HB3 LYS 68 HB1 LYS 68 -17.302 -7.561 -7.549 553 HG2 LYS 68 HG2 LYS 68 -17.084 -7.199 -9.934 554 HG3 LYS 68 HG1 LYS 68 -16.117 -8.666 -10.089 555 HD2 LYS 68 HD2 LYS 68 -18.416 -9.070 -10.783 556 HD3 LYS 68 HD1 LYS 68 -18.030 -9.998 -9.333 557 HE2 LYS 68 HE2 LYS 68 -19.130 -8.263 -7.966 558 HE3 LYS 68 HE1 LYS 68 -19.563 -7.401 -9.442 559 HZ1 LYS 68 HZ1 LYS 68 -20.890 -9.281 -10.130 560 HZ2 LYS 68 HZ2 LYS 68 -21.384 -8.763 -8.597 561 HZ3 LYS 68 HZ3 LYS 68 -20.437 -10.154 -8.751 562 H PHE 69 HN PHE 69 -15.321 -5.284 -6.390 563 HA PHE 69 HA PHE 69 -14.849 -4.712 -4.238 564 HB2 PHE 69 HB2 PHE 69 -15.294 -7.680 -3.853 565 HB3 PHE 69 HB1 PHE 69 -14.885 -6.607 -2.514 566 HD1 PHE 69 HD1 PHE 69 -16.563 -5.416 -1.406 567 HD2 PHE 69 HD2 PHE 69 -17.368 -7.128 -5.216 568 HE1 PHE 69 HE1 PHE 69 -18.942 -4.842 -1.160 569 HE2 PHE 69 HE2 PHE 69 -19.745 -6.557 -4.977 570 HZ PHE 69 HZ PHE 69 -20.534 -5.426 -2.894 571 H PHE 70 HN PHE 70 -12.742 -4.890 -5.964 572 HA PHE 70 HA PHE 70 -10.511 -5.899 -4.343 573 HB2 PHE 70 HB2 PHE 70 -11.366 -7.467 -6.184 574 HB3 PHE 70 HB1 PHE 70 -10.666 -6.316 -7.301 575 HD1 PHE 70 HD1 PHE 70 -9.706 -8.137 -4.195 576 HD2 PHE 70 HD2 PHE 70 -8.596 -6.683 -8.008 577 HE1 PHE 70 HE1 PHE 70 -7.523 -9.188 -3.944 578 HE2 PHE 70 HE2 PHE 70 -6.430 -7.719 -7.790 579 HZ PHE 70 HZ PHE 70 -5.851 -8.949 -5.557 580 H THR 71 HN THR 71 -8.471 -4.999 -4.961 581 HA THR 71 HA THR 71 -8.093 -3.553 -7.329 582 HB THR 71 HB THR 71 -9.179 -1.790 -5.691 583 HG1 THR 71 HG1 THR 71 -8.627 -1.000 -7.603 584 HG21 THR 71 HG21 THR 71 -6.378 -2.042 -4.746 585 HG22 THR 71 HG22 THR 71 -7.821 -1.550 -3.853 586 HG23 THR 71 HG23 THR 71 -7.016 -0.407 -4.947 587 H GLU 72 HN GLU 72 -5.988 -3.489 -7.889 588 HA GLU 72 HA GLU 72 -4.181 -4.721 -5.937 589 HB2 GLU 72 HB2 GLU 72 -2.854 -5.447 -7.881 590 HB3 GLU 72 HB1 GLU 72 -4.508 -6.030 -7.958 591 HG2 GLU 72 HG2 GLU 72 -3.569 -3.595 -9.442 592 HG3 GLU 72 HG1 GLU 72 -3.492 -5.219 -10.114 593 H VAL 73 HN VAL 73 -3.006 -3.255 -4.897 594 HA VAL 73 HA VAL 73 -2.090 -0.908 -6.413 595 HB VAL 73 HB VAL 73 -1.765 -0.902 -3.488 596 HG11 VAL 73 HG11 VAL 73 -2.726 1.133 -5.486 597 HG12 VAL 73 HG12 VAL 73 -1.090 0.984 -4.846 598 HG13 VAL 73 HG13 VAL 73 -2.416 1.443 -3.779 599 HG21 VAL 73 HG21 VAL 73 -4.456 -0.824 -4.786 600 HG22 VAL 73 HG22 VAL 73 -4.130 -0.061 -3.226 601 HG23 VAL 73 HG23 VAL 73 -3.925 -1.809 -3.415 602 H GLU 74 HN GLU 74 -0.101 -1.249 -7.156 603 HA GLU 74 HA GLU 74 1.755 -3.054 -6.064 604 HB2 GLU 74 HB2 GLU 74 2.087 -0.728 -7.960 605 HB3 GLU 74 HB1 GLU 74 3.370 -1.859 -7.570 606 HG2 GLU 74 HG2 GLU 74 2.102 -3.688 -8.502 607 HG3 GLU 74 HG1 GLU 74 0.735 -2.616 -8.806 608 H ALA 75 HN ALA 75 2.014 -2.653 -3.919 609 HA ALA 75 HA ALA 75 2.146 -0.591 -2.316 610 HB1 ALA 75 HB1 ALA 75 2.612 -2.840 -1.563 611 HB2 ALA 75 HB2 ALA 75 3.821 -1.713 -0.946 612 HB3 ALA 75 HB3 ALA 75 4.212 -2.771 -2.300 613 H TYR 76 HN TYR 76 5.043 -1.513 -4.239 614 HA TYR 76 HA TYR 76 5.744 1.277 -4.160 615 HB2 TYR 76 HB2 TYR 76 6.704 -0.239 -2.096 616 HB3 TYR 76 HB1 TYR 76 8.066 -0.202 -3.227 617 HD1 TYR 76 HD1 TYR 76 7.623 2.526 -4.499 618 HD2 TYR 76 HD2 TYR 76 7.380 1.195 -0.453 619 HE1 TYR 76 HE1 TYR 76 8.248 4.749 -3.698 620 HE2 TYR 76 HE2 TYR 76 7.968 3.408 0.331 621 HH TYR 76 HH TYR 76 9.175 5.372 -0.516 622 H ARG 77 HN ARG 77 6.668 1.987 -5.823 623 HA ARG 77 HA ARG 77 8.640 0.448 -7.313 624 HB2 ARG 77 HB2 ARG 77 5.992 0.893 -8.232 625 HB3 ARG 77 HB1 ARG 77 7.018 1.990 -9.147 626 HG2 ARG 77 HG2 ARG 77 8.429 0.112 -9.821 627 HG3 ARG 77 HG1 ARG 77 7.415 -0.984 -8.888 628 HD2 ARG 77 HD2 ARG 77 5.606 -0.739 -10.348 629 HD3 ARG 77 HD1 ARG 77 6.266 0.735 -11.059 630 HE ARG 77 HE ARG 77 8.059 -0.761 -11.980 631 HH11 ARG 77 HH11 ARG 77 4.848 -2.020 -11.300 632 HH12 ARG 77 HH12 ARG 77 4.980 -3.285 -12.482 633 HH21 ARG 77 HH21 ARG 77 8.212 -2.420 -13.513 634 HH22 ARG 77 HH22 ARG 77 6.884 -3.513 -13.738 635 HA PRO 78 HA PRO 78 11.236 3.832 -7.333 636 HB2 PRO 78 HB2 PRO 78 11.554 5.023 -9.745 637 HB3 PRO 78 HB1 PRO 78 12.223 3.449 -9.317 638 HG2 PRO 78 HG2 PRO 78 9.693 4.080 -10.797 639 HG3 PRO 78 HG1 PRO 78 10.953 2.896 -11.197 640 HD2 PRO 78 HD2 PRO 78 8.705 2.116 -10.028 641 HD3 PRO 78 HD1 PRO 78 10.259 1.415 -9.534 642 H ASP 79 HN ASP 79 8.143 4.844 -7.659 643 HA ASP 79 HA ASP 79 8.712 7.714 -7.597 644 HB2 ASP 79 HB2 ASP 79 6.556 6.715 -8.534 645 HB3 ASP 79 HB1 ASP 79 6.139 6.317 -6.876 646 H LEU 80 HN LEU 80 7.119 8.516 -5.443 647 HA LEU 80 HA LEU 80 8.820 9.642 -4.042 648 HB2 LEU 80 HB2 LEU 80 6.604 8.193 -2.767 649 HB3 LEU 80 HB1 LEU 80 7.580 9.339 -1.888 650 HG LEU 80 HG LEU 80 5.773 9.876 -4.239 651 HD11 LEU 80 HD11 LEU 80 4.677 9.743 -2.077 652 HD12 LEU 80 HD12 LEU 80 4.689 11.405 -2.667 653 HD13 LEU 80 HD13 LEU 80 5.820 10.908 -1.409 654 HD21 LEU 80 HD21 LEU 80 6.500 12.242 -4.000 655 HD22 LEU 80 HD22 LEU 80 7.752 11.171 -4.625 656 HD23 LEU 80 HD23 LEU 80 7.798 11.689 -2.940 657 H LYS 81 HN LYS 81 10.019 6.774 -4.360 658 HA LYS 81 HA LYS 81 10.943 5.926 -1.876 659 HB2 LYS 81 HB2 LYS 81 12.838 4.943 -3.073 660 HB3 LYS 81 HB1 LYS 81 11.321 4.637 -3.906 661 HG2 LYS 81 HG2 LYS 81 11.835 6.074 -5.640 662 HG3 LYS 81 HG1 LYS 81 13.035 6.953 -4.691 663 HD2 LYS 81 HD2 LYS 81 13.470 4.060 -5.291 664 HD3 LYS 81 HD1 LYS 81 13.778 5.257 -6.549 665 HE2 LYS 81 HE2 LYS 81 15.825 4.773 -5.343 666 HE3 LYS 81 HE1 LYS 81 15.319 6.431 -5.040 667 HZ1 LYS 81 HZ1 LYS 81 16.089 5.284 -3.034 668 HZ2 LYS 81 HZ2 LYS 81 14.844 4.155 -3.190 669 HZ3 LYS 81 HZ3 LYS 81 14.479 5.780 -2.893 670 H HIS 82 HN HIS 82 11.298 8.854 -3.178 671 HA HIS 82 HA HIS 82 13.629 10.017 -2.531 672 HB2 HIS 82 HB2 HIS 82 10.771 10.847 -2.063 673 HB3 HIS 82 HB1 HIS 82 12.107 11.932 -1.702 674 HD1 HIS 82 HD1 HIS 82 10.505 10.142 -4.723 675 HD2 HIS 82 HD2 HIS 82 13.184 13.229 -3.833 676 HE1 HIS 82 HE1 HIS 82 10.922 11.344 -6.880 677 HE2 HIS 82 HE2 HIS 82 12.405 13.286 -6.292 678 HA PRO 83 HA PRO 83 15.600 9.702 0.997 679 HB2 PRO 83 HB2 PRO 83 14.181 11.884 2.483 680 HB3 PRO 83 HB1 PRO 83 15.904 11.485 2.454 681 HG2 PRO 83 HG2 PRO 83 14.954 13.436 0.924 682 HG3 PRO 83 HG1 PRO 83 16.201 12.333 0.314 683 HD2 PRO 83 HD2 PRO 83 13.342 12.523 -0.399 684 HD3 PRO 83 HD1 PRO 83 14.698 11.877 -1.342 685 H LEU 84 HN LEU 84 15.308 7.897 1.881 686 HA LEU 84 HA LEU 84 14.500 7.705 4.558 687 HB2 LEU 84 HB2 LEU 84 12.628 6.595 2.533 688 HB3 LEU 84 HB1 LEU 84 13.045 5.496 3.837 689 HG LEU 84 HG LEU 84 11.464 8.033 3.898 690 HD11 LEU 84 HD11 LEU 84 11.222 5.396 5.325 691 HD12 LEU 84 HD12 LEU 84 10.300 5.920 3.918 692 HD13 LEU 84 HD13 LEU 84 10.093 6.742 5.464 693 HD21 LEU 84 HD21 LEU 84 13.197 7.072 6.155 694 HD22 LEU 84 HD22 LEU 84 11.761 8.061 6.410 695 HD23 LEU 84 HD23 LEU 84 13.102 8.688 5.454 696 H CYS 85 HN CYS 85 14.587 4.833 4.762 697 HA CYS 85 HA CYS 85 17.210 4.279 4.022 698 HB2 CYS 85 HB2 CYS 85 16.231 2.892 5.738 699 HB3 CYS 85 HB1 CYS 85 15.045 2.301 4.590 700 H GLY 86 HN GLY 86 14.446 2.770 2.811 701 HA2 GLY 86 HA2 GLY 86 15.667 2.669 0.143 702 HA3 GLY 86 HA1 GLY 86 14.375 1.619 0.695 703 H LYS 87 HN LYS 87 12.558 3.476 1.720 704 HA LYS 87 HA LYS 87 11.714 5.095 -0.491 705 HB2 LYS 87 HB2 LYS 87 10.455 2.380 -0.049 706 HB3 LYS 87 HB1 LYS 87 9.841 3.603 -1.145 707 HG2 LYS 87 HG2 LYS 87 11.864 3.407 -2.497 708 HG3 LYS 87 HG1 LYS 87 12.490 2.192 -1.389 709 HD2 LYS 87 HD2 LYS 87 10.673 0.699 -1.943 710 HD3 LYS 87 HD1 LYS 87 9.930 1.934 -2.961 711 HE2 LYS 87 HE2 LYS 87 11.092 0.363 -4.364 712 HE3 LYS 87 HE1 LYS 87 11.945 1.904 -4.397 713 HZ1 LYS 87 HZ1 LYS 87 13.457 0.015 -4.189 714 HZ2 LYS 87 HZ2 LYS 87 12.719 -0.434 -2.736 715 HZ3 LYS 87 HZ3 LYS 87 13.549 1.031 -2.843 716 H ARG 88 HN ARG 88 9.269 5.724 -0.196 717 HA ARG 88 HA ARG 88 8.208 5.402 2.509 718 HB2 ARG 88 HB2 ARG 88 9.795 7.385 2.514 719 HB3 ARG 88 HB1 ARG 88 8.678 8.164 1.408 720 HG2 ARG 88 HG2 ARG 88 6.900 7.768 3.179 721 HG3 ARG 88 HG1 ARG 88 8.238 7.405 4.266 722 HD2 ARG 88 HD2 ARG 88 7.764 9.980 2.775 723 HD3 ARG 88 HD1 ARG 88 7.607 9.719 4.510 724 HE ARG 88 HE ARG 88 10.230 9.159 3.446 725 HH11 ARG 88 HH11 ARG 88 8.107 11.563 4.835 726 HH12 ARG 88 HH12 ARG 88 9.399 12.605 5.335 727 HH21 ARG 88 HH21 ARG 88 11.949 10.530 4.102 728 HH22 ARG 88 HH22 ARG 88 11.582 12.014 4.932 729 H TYR 89 HN TYR 89 6.070 4.811 2.033 730 HA TYR 89 HA TYR 89 4.583 6.431 0.093 731 HB2 TYR 89 HB2 TYR 89 5.721 3.952 -0.600 732 HB3 TYR 89 HB1 TYR 89 3.995 3.674 -0.437 733 HD1 TYR 89 HD1 TYR 89 3.815 3.144 -2.793 734 HD2 TYR 89 HD2 TYR 89 5.211 6.960 -1.534 735 HE1 TYR 89 HE1 TYR 89 3.475 4.015 -5.062 736 HE2 TYR 89 HE2 TYR 89 4.864 7.837 -3.799 737 HH TYR 89 HH TYR 89 4.609 7.166 -6.010 738 H GLU 90 HN GLU 90 2.344 6.385 0.251 739 HA GLU 90 HA GLU 90 1.100 4.512 2.123 740 HB2 GLU 90 HB2 GLU 90 0.917 6.462 3.364 741 HB3 GLU 90 HB1 GLU 90 0.872 7.485 1.943 742 HG2 GLU 90 HG2 GLU 90 -1.426 6.718 1.497 743 HG3 GLU 90 HG1 GLU 90 -1.373 5.775 2.980 744 H LEU 91 HN LEU 91 -0.583 3.422 1.229 745 HA LEU 91 HA LEU 91 -1.908 4.645 -1.106 746 HB2 LEU 91 HB2 LEU 91 -2.622 1.885 -0.878 747 HB3 LEU 91 HB1 LEU 91 -1.858 2.708 -2.209 748 HG LEU 91 HG LEU 91 -0.284 1.595 0.112 749 HD11 LEU 91 HD11 LEU 91 -1.493 -0.172 -1.152 750 HD12 LEU 91 HD12 LEU 91 0.263 -0.281 -1.272 751 HD13 LEU 91 HD13 LEU 91 -0.672 0.379 -2.612 752 HD21 LEU 91 HD21 LEU 91 0.555 2.497 -2.644 753 HD22 LEU 91 HD22 LEU 91 1.613 1.827 -1.402 754 HD23 LEU 91 HD23 LEU 91 0.826 3.384 -1.143 755 H SER 92 HN SER 92 -4.033 5.053 -0.868 756 HA SER 92 HA SER 92 -5.324 3.950 1.517 757 HB2 SER 92 HB2 SER 92 -6.272 6.280 1.933 758 HB3 SER 92 HB1 SER 92 -4.558 6.073 2.293 759 HG SER 92 HG SER 92 -4.051 7.105 0.369 760 H ALA 93 HN ALA 93 -7.279 3.322 1.259 761 HA ALA 93 HA ALA 93 -8.499 3.581 -1.326 762 HB1 ALA 93 HB1 ALA 93 -8.469 1.607 0.407 763 HB2 ALA 93 HB2 ALA 93 -9.790 1.864 -0.744 764 HB3 ALA 93 HB3 ALA 93 -9.956 2.403 0.934 765 H ARG 94 HN ARG 94 -9.295 5.450 -1.722 766 HA ARG 94 HA ARG 94 -10.637 6.895 0.493 767 HB2 ARG 94 HB2 ARG 94 -8.564 7.710 -1.390 768 HB3 ARG 94 HB1 ARG 94 -9.952 8.790 -1.432 769 HG2 ARG 94 HG2 ARG 94 -9.780 9.125 0.966 770 HG3 ARG 94 HG1 ARG 94 -8.408 8.018 1.029 771 HD2 ARG 94 HD2 ARG 94 -7.082 9.496 -0.311 772 HD3 ARG 94 HD1 ARG 94 -8.467 10.550 -0.596 773 HE ARG 94 HE ARG 94 -8.356 10.724 2.013 774 HH11 ARG 94 HH11 ARG 94 -5.660 10.639 -0.218 775 HH12 ARG 94 HH12 ARG 94 -4.642 11.632 0.774 776 HH21 ARG 94 HH21 ARG 94 -7.006 12.022 3.325 777 HH22 ARG 94 HH22 ARG 94 -5.406 12.415 2.784 778 H MET 95 HN MET 95 -12.179 8.017 0.293 779 HA MET 95 HA MET 95 -14.466 7.770 -0.513 780 HB2 MET 95 HB2 MET 95 -13.302 10.370 -1.479 781 HB3 MET 95 HB1 MET 95 -14.816 10.092 -0.631 782 HG2 MET 95 HG2 MET 95 -13.631 9.608 1.418 783 HG3 MET 95 HG1 MET 95 -12.068 9.734 0.613 784 HE1 MET 95 HE1 MET 95 -15.315 12.000 0.275 785 HE2 MET 95 HE2 MET 95 -14.943 13.249 1.460 786 HE3 MET 95 HE3 MET 95 -15.209 11.587 1.986 787 H ASP 96 HN ASP 96 -12.338 9.191 -3.041 788 HA ASP 96 HA ASP 96 -14.224 8.328 -5.085 789 HB2 ASP 96 HB2 ASP 96 -11.759 10.058 -5.172 790 HB3 ASP 96 HB1 ASP 96 -12.567 9.507 -6.637 791 H ALA 97 HN ALA 97 -10.668 8.058 -4.711 792 HA ALA 97 HA ALA 97 -10.822 5.333 -5.785 793 HB1 ALA 97 HB1 ALA 97 -8.620 5.998 -7.099 794 HB2 ALA 97 HB2 ALA 97 -9.353 7.618 -7.014 795 HB3 ALA 97 HB3 ALA 97 -10.232 6.303 -7.785 796 H ILE 98 HN ILE 98 -8.481 4.479 -5.839 797 HA ILE 98 HA ILE 98 -7.446 4.559 -3.151 798 HB ILE 98 HB ILE 98 -6.743 2.997 -5.641 799 HG12 ILE 98 HG12 ILE 98 -8.863 2.651 -4.101 800 HG13 ILE 98 HG11 ILE 98 -7.978 1.269 -4.740 801 HG21 ILE 98 HG21 ILE 98 -4.686 3.369 -4.255 802 HG22 ILE 98 HG22 ILE 98 -5.169 1.675 -4.275 803 HG23 ILE 98 HG23 ILE 98 -5.507 2.668 -2.856 804 HD11 ILE 98 HD11 ILE 98 -7.007 0.822 -2.679 805 HD12 ILE 98 HD12 ILE 98 -8.670 1.277 -2.294 806 HD13 ILE 98 HD13 ILE 98 -7.362 2.451 -2.076 807 H TYR 99 HN TYR 99 -5.863 5.839 -2.519 808 HA TYR 99 HA TYR 99 -4.439 7.430 -4.505 809 HB2 TYR 99 HB2 TYR 99 -4.762 7.616 -1.532 810 HB3 TYR 99 HB1 TYR 99 -3.425 8.448 -2.318 811 HD1 TYR 99 HD1 TYR 99 -7.037 7.967 -3.197 812 HD2 TYR 99 HD2 TYR 99 -3.851 10.693 -2.501 813 HE1 TYR 99 HE1 TYR 99 -8.521 9.840 -3.778 814 HE2 TYR 99 HE2 TYR 99 -5.322 12.573 -3.077 815 HH TYR 99 HH TYR 99 -7.359 12.982 -4.370 816 H PHE 100 HN PHE 100 -2.122 7.650 -4.453 817 HA PHE 100 HA PHE 100 -0.771 5.185 -3.617 818 HB2 PHE 100 HB2 PHE 100 -1.725 4.990 -5.931 819 HB3 PHE 100 HB1 PHE 100 -0.693 6.325 -6.418 820 HD1 PHE 100 HD1 PHE 100 1.098 5.676 -7.663 821 HD2 PHE 100 HD2 PHE 100 -0.239 3.145 -4.519 822 HE1 PHE 100 HE1 PHE 100 2.917 4.099 -8.161 823 HE2 PHE 100 HE2 PHE 100 1.573 1.562 -5.011 824 HZ PHE 100 HZ PHE 100 3.098 2.000 -6.921 825 H LYS 101 HN LYS 101 -0.379 7.535 -2.309 826 HA LYS 101 HA LYS 101 2.404 8.008 -2.868 827 HB2 LYS 101 HB2 LYS 101 0.422 9.915 -3.731 828 HB3 LYS 101 HB1 LYS 101 1.477 10.633 -2.519 829 HG2 LYS 101 HG2 LYS 101 3.430 10.052 -3.828 830 HG3 LYS 101 HG1 LYS 101 2.419 9.236 -5.018 831 HD2 LYS 101 HD2 LYS 101 1.390 11.307 -5.653 832 HD3 LYS 101 HD1 LYS 101 2.193 12.163 -4.336 833 HE2 LYS 101 HE2 LYS 101 3.262 12.555 -6.526 834 HE3 LYS 101 HE1 LYS 101 4.349 11.809 -5.357 835 HZ1 LYS 101 HZ1 LYS 101 2.856 10.250 -7.391 836 HZ2 LYS 101 HZ2 LYS 101 4.153 9.728 -6.430 837 HZ3 LYS 101 HZ3 LYS 101 4.408 10.864 -7.656 838 H MET 102 HN MET 102 3.551 8.868 -1.114 839 HA MET 102 HA MET 102 2.242 8.780 1.465 840 HB2 MET 102 HB2 MET 102 4.457 7.918 1.449 841 HB3 MET 102 HB1 MET 102 5.074 9.310 0.572 842 HG2 MET 102 HG2 MET 102 5.781 9.381 2.877 843 HG3 MET 102 HG1 MET 102 4.690 10.718 2.528 844 HE1 MET 102 HE1 MET 102 5.143 7.269 4.306 845 HE2 MET 102 HE2 MET 102 3.808 6.914 3.211 846 HE3 MET 102 HE3 MET 102 3.531 6.965 4.952 847 H ASP 103 HN ASP 103 1.648 10.542 2.697 848 HA ASP 103 HA ASP 103 1.481 13.026 1.258 849 HB2 ASP 103 HB2 ASP 103 0.045 13.833 2.913 850 HB3 ASP 103 HB1 ASP 103 -0.356 12.127 2.776 851 H GLU 104 HN GLU 104 2.237 14.946 1.852 852 HA GLU 104 HA GLU 104 4.058 15.996 3.408 853 HB2 GLU 104 HB2 GLU 104 5.326 13.868 3.386 854 HB3 GLU 104 HB1 GLU 104 5.488 14.017 1.653 855 HG2 GLU 104 HG2 GLU 104 7.540 14.676 2.719 856 HG3 GLU 104 HG1 GLU 104 6.789 16.072 1.950 857 H ARG 105 HN ARG 105 3.254 14.817 0.354 858 HA ARG 105 HA ARG 105 3.628 17.394 -0.974 859 HB2 ARG 105 HB2 ARG 105 4.559 14.742 -2.131 860 HB3 ARG 105 HB1 ARG 105 4.688 16.319 -2.901 861 HG2 ARG 105 HG2 ARG 105 6.371 17.024 -1.433 862 HG3 ARG 105 HG1 ARG 105 6.029 15.730 -0.286 863 HD2 ARG 105 HD2 ARG 105 6.784 14.101 -2.020 864 HD3 ARG 105 HD1 ARG 105 7.282 15.472 -3.010 865 HE ARG 105 HE ARG 105 8.859 16.052 -1.241 866 HH11 ARG 105 HH11 ARG 105 7.552 12.803 -1.224 867 HH12 ARG 105 HH12 ARG 105 8.859 12.139 -0.302 868 HH21 ARG 105 HH21 ARG 105 10.579 15.187 -0.014 869 HH22 ARG 105 HH22 ARG 105 10.578 13.502 0.395 870 HA PRO 106 HA PRO 106 -0.488 16.561 -2.237 871 HB2 PRO 106 HB2 PRO 106 -0.395 17.271 -4.925 872 HB3 PRO 106 HB1 PRO 106 -0.654 18.384 -3.580 873 HG2 PRO 106 HG2 PRO 106 1.858 17.763 -5.069 874 HG3 PRO 106 HG1 PRO 106 1.273 19.319 -4.450 875 HD2 PRO 106 HD2 PRO 106 3.199 17.966 -3.184 876 HD3 PRO 106 HD1 PRO 106 1.953 18.848 -2.276 877 HA PRO 107 HA PRO 107 0.041 12.523 -4.148 878 HB2 PRO 107 HB2 PRO 107 -2.027 11.330 -2.944 879 HB3 PRO 107 HB1 PRO 107 -0.553 11.726 -2.049 880 HG2 PRO 107 HG2 PRO 107 -3.186 13.128 -2.077 881 HG3 PRO 107 HG1 PRO 107 -2.077 12.848 -0.724 882 HD2 PRO 107 HD2 PRO 107 -2.278 15.212 -2.187 883 HD3 PRO 107 HD1 PRO 107 -0.908 14.750 -1.162 884 H GLN 108 HN GLN 108 -1.787 10.976 -5.113 885 HA GLN 108 HA GLN 108 -3.957 12.427 -6.349 886 HB2 GLN 108 HB2 GLN 108 -3.266 11.801 -8.649 887 HB3 GLN 108 HB1 GLN 108 -2.190 12.971 -7.894 888 HG2 GLN 108 HG2 GLN 108 -0.596 11.198 -7.397 889 HG3 GLN 108 HG1 GLN 108 -1.677 10.013 -8.129 890 HE21 GLN 108 HE21 GLN 108 0.470 12.678 -8.715 891 HE22 GLN 108 HE22 GLN 108 0.635 12.439 -10.421 892 HA PRO 109 HA PRO 109 -5.850 8.354 -6.329 893 HB2 PRO 109 HB2 PRO 109 -7.286 9.322 -8.723 894 HB3 PRO 109 HB1 PRO 109 -7.933 8.746 -7.187 895 HG2 PRO 109 HG2 PRO 109 -8.030 11.331 -7.833 896 HG3 PRO 109 HG1 PRO 109 -7.710 10.813 -6.166 897 HD2 PRO 109 HD2 PRO 109 -5.789 11.779 -8.252 898 HD3 PRO 109 HD1 PRO 109 -5.857 12.159 -6.519 899 H LEU 110 HN LEU 110 -4.865 6.588 -7.167 900 HA LEU 110 HA LEU 110 -3.956 6.740 -9.957 901 HB2 LEU 110 HB2 LEU 110 -2.279 6.972 -7.857 902 HB3 LEU 110 HB1 LEU 110 -2.284 5.234 -8.047 903 HG LEU 110 HG LEU 110 -0.394 6.435 -9.182 904 HD11 LEU 110 HD11 LEU 110 -0.984 4.189 -9.854 905 HD12 LEU 110 HD12 LEU 110 -0.510 5.146 -11.258 906 HD13 LEU 110 HD13 LEU 110 -2.215 4.818 -10.949 907 HD21 LEU 110 HD21 LEU 110 -0.796 7.605 -11.244 908 HD22 LEU 110 HD22 LEU 110 -1.708 8.377 -9.948 909 HD23 LEU 110 HD23 LEU 110 -2.530 7.332 -11.106 910 H ASN 111 HN ASN 111 -5.815 5.108 -7.749 911 HA ASN 111 HA ASN 111 -6.011 2.824 -9.503 912 HB2 ASN 111 HB2 ASN 111 -4.142 2.395 -7.646 913 HB3 ASN 111 HB1 ASN 111 -5.550 2.085 -6.628 914 HD21 ASN 111 HD21 ASN 111 -4.921 -0.061 -6.421 915 HD22 ASN 111 HD22 ASN 111 -5.186 -1.200 -7.691 916 H LYS 112 HN LYS 112 -7.885 1.396 -8.517 917 HA LYS 112 HA LYS 112 -9.593 3.113 -6.957 918 HB2 LYS 112 HB2 LYS 112 -11.435 2.789 -8.555 919 HB3 LYS 112 HB1 LYS 112 -10.107 3.721 -9.176 920 HG2 LYS 112 HG2 LYS 112 -10.420 0.801 -9.772 921 HG3 LYS 112 HG1 LYS 112 -11.203 2.044 -10.746 922 HD2 LYS 112 HD2 LYS 112 -9.020 3.015 -11.271 923 HD3 LYS 112 HD1 LYS 112 -8.231 1.793 -10.273 924 HE2 LYS 112 HE2 LYS 112 -9.878 1.254 -12.743 925 HE3 LYS 112 HE1 LYS 112 -8.120 1.242 -12.662 926 HZ1 LYS 112 HZ1 LYS 112 -9.931 -0.588 -11.181 927 HZ2 LYS 112 HZ2 LYS 112 -8.244 -0.598 -11.095 928 HZ3 LYS 112 HZ3 LYS 112 -9.018 -0.988 -12.542 929 H TRP 113 HN TRP 113 -10.781 2.120 -5.601 930 HA TRP 113 HA TRP 113 -10.680 -0.722 -5.343 931 HB2 TRP 113 HB2 TRP 113 -12.280 -0.269 -3.459 932 HB3 TRP 113 HB1 TRP 113 -10.668 0.447 -3.277 933 HD1 TRP 113 HD1 TRP 113 -10.523 3.085 -3.233 934 HE1 TRP 113 HE1 TRP 113 -12.265 4.978 -3.140 935 HE3 TRP 113 HE3 TRP 113 -14.731 0.351 -4.215 936 HZ2 TRP 113 HZ2 TRP 113 -15.053 5.262 -3.437 937 HZ3 TRP 113 HZ3 TRP 113 -16.895 1.513 -4.286 938 HH2 TRP 113 HH2 TRP 113 -17.053 3.918 -3.906 939 H ARG 114 HN ARG 114 -12.996 -1.706 -4.715 940 HA ARG 114 HA ARG 114 -14.616 -1.216 -7.088 941 HB2 ARG 114 HB2 ARG 114 -12.754 -3.196 -6.658 942 HB3 ARG 114 HB1 ARG 114 -14.309 -3.969 -6.421 943 HG2 ARG 114 HG2 ARG 114 -13.740 -4.321 -8.697 944 HG3 ARG 114 HG1 ARG 114 -15.004 -3.095 -8.677 945 HD2 ARG 114 HD2 ARG 114 -12.061 -2.464 -8.848 946 HD3 ARG 114 HD1 ARG 114 -13.101 -2.656 -10.255 947 HE ARG 114 HE ARG 114 -13.587 -0.597 -8.198 948 HH11 ARG 114 HH11 ARG 114 -13.231 -1.537 -11.553 949 HH12 ARG 114 HH12 ARG 114 -13.671 0.026 -12.163 950 HH21 ARG 114 HH21 ARG 114 -14.205 1.442 -8.995 951 HH22 ARG 114 HH22 ARG 114 -14.253 1.713 -10.709 952 H SER 115 HN SER 115 -14.450 -1.748 -4.015 953 HA SER 115 HA SER 115 -16.794 -3.277 -3.493 954 HB2 SER 115 HB2 SER 115 -15.247 -1.583 -1.572 955 HB3 SER 115 HB1 SER 115 -16.318 -2.918 -1.174 956 HG SER 115 HG SER 115 -14.244 -3.694 -1.130 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 17.677 7.264 -0.438 2 H2 ALA 1 HT2 ALA 1 18.848 8.380 -0.926 3 H3 ALA 1 HT3 ALA 1 17.951 8.659 0.478 4 HA ALA 1 HA ALA 1 20.189 7.909 0.981 5 HB1 ALA 1 HB1 ALA 1 18.362 7.407 2.531 6 HB2 ALA 1 HB2 ALA 1 19.577 6.128 2.529 7 HB3 ALA 1 HB3 ALA 1 18.050 5.897 1.675 8 H MET 2 HN MET 2 21.880 6.620 0.498 9 HA MET 2 HA MET 2 21.571 4.755 -1.697 10 HB2 MET 2 HB2 MET 2 23.484 6.231 -1.771 11 HB3 MET 2 HB1 MET 2 24.006 5.700 -0.179 12 HG2 MET 2 HG2 MET 2 25.339 4.708 -1.967 13 HG3 MET 2 HG1 MET 2 24.479 3.492 -1.026 14 HE1 MET 2 HE1 MET 2 25.778 2.756 -3.778 15 HE2 MET 2 HE2 MET 2 24.478 1.826 -4.524 16 HE3 MET 2 HE3 MET 2 24.824 1.635 -2.806 17 H GLY 3 HN GLY 3 20.946 2.773 -1.291 18 HA2 GLY 3 HA2 GLY 3 21.533 0.606 -0.331 19 HA3 GLY 3 HA1 GLY 3 21.903 1.452 1.168 20 H CYS 4 HN CYS 4 20.242 -0.585 1.465 21 HA CYS 4 HA CYS 4 17.604 0.678 1.543 22 HB2 CYS 4 HB2 CYS 4 18.341 -2.210 1.180 23 HB3 CYS 4 HB1 CYS 4 16.722 -1.714 1.673 24 H LYS 5 HN LYS 5 16.189 -0.508 3.311 25 HA LYS 5 HA LYS 5 17.542 -0.318 5.827 26 HB2 LYS 5 HB2 LYS 5 17.111 1.981 4.670 27 HB3 LYS 5 HB1 LYS 5 15.525 1.699 5.343 28 HG2 LYS 5 HG2 LYS 5 16.455 2.872 7.062 29 HG3 LYS 5 HG1 LYS 5 16.889 1.235 7.537 30 HD2 LYS 5 HD2 LYS 5 18.694 3.043 5.939 31 HD3 LYS 5 HD1 LYS 5 18.736 2.933 7.696 32 HE2 LYS 5 HE2 LYS 5 19.194 0.637 5.793 33 HE3 LYS 5 HE1 LYS 5 20.461 1.548 6.607 34 HZ1 LYS 5 HZ1 LYS 5 19.948 -0.536 7.738 35 HZ2 LYS 5 HZ2 LYS 5 18.355 -0.034 7.982 36 HZ3 LYS 5 HZ3 LYS 5 19.626 0.796 8.726 37 H GLU 6 HN GLU 6 15.770 -0.237 7.640 38 HA GLU 6 HA GLU 6 13.796 -2.131 7.203 39 HB2 GLU 6 HB2 GLU 6 14.602 -1.711 9.400 40 HB3 GLU 6 HB1 GLU 6 14.160 -0.010 9.297 41 HG2 GLU 6 HG2 GLU 6 11.814 -0.716 9.097 42 HG3 GLU 6 HG1 GLU 6 12.335 -2.366 9.410 43 H ILE 7 HN ILE 7 12.317 -1.852 5.721 44 HA ILE 7 HA ILE 7 11.165 0.802 5.270 45 HB ILE 7 HB ILE 7 11.138 -1.663 3.520 46 HG12 ILE 7 HG12 ILE 7 13.309 -0.540 3.778 47 HG13 ILE 7 HG11 ILE 7 12.699 -0.487 2.135 48 HG21 ILE 7 HG21 ILE 7 10.256 1.118 2.904 49 HG22 ILE 7 HG22 ILE 7 9.174 -0.269 3.107 50 HG23 ILE 7 HG23 ILE 7 10.321 -0.222 1.755 51 HD11 ILE 7 HD11 ILE 7 13.546 1.632 2.605 52 HD12 ILE 7 HD12 ILE 7 12.795 1.629 4.207 53 HD13 ILE 7 HD13 ILE 7 11.786 1.761 2.767 54 H GLU 8 HN GLU 8 8.825 0.942 4.918 55 HA GLU 8 HA GLU 8 7.409 -1.017 6.600 56 HB2 GLU 8 HB2 GLU 8 6.813 1.937 6.540 57 HB3 GLU 8 HB1 GLU 8 6.200 0.731 7.660 58 HG2 GLU 8 HG2 GLU 8 8.340 0.501 8.691 59 HG3 GLU 8 HG1 GLU 8 9.084 1.549 7.486 60 H ILE 9 HN ILE 9 4.862 0.072 6.297 61 HA ILE 9 HA ILE 9 4.303 0.144 3.367 62 HB ILE 9 HB ILE 9 2.800 -1.463 5.448 63 HG12 ILE 9 HG12 ILE 9 4.570 -2.866 5.201 64 HG13 ILE 9 HG11 ILE 9 3.450 -3.467 4.003 65 HG21 ILE 9 HG21 ILE 9 1.214 -0.952 3.935 66 HG22 ILE 9 HG22 ILE 9 1.810 -2.511 3.355 67 HG23 ILE 9 HG23 ILE 9 2.348 -1.018 2.590 68 HD11 ILE 9 HD11 ILE 9 5.683 -1.602 3.478 69 HD12 ILE 9 HD12 ILE 9 4.604 -2.327 2.303 70 HD13 ILE 9 HD13 ILE 9 5.724 -3.339 3.204 71 H VAL 10 HN VAL 10 2.666 1.879 2.932 72 HA VAL 10 HA VAL 10 0.917 2.300 5.305 73 HB VAL 10 HB VAL 10 1.633 4.438 5.200 74 HG11 VAL 10 HG11 VAL 10 3.288 3.982 3.467 75 HG12 VAL 10 HG12 VAL 10 2.512 5.549 3.240 76 HG13 VAL 10 HG13 VAL 10 2.042 4.178 2.236 77 HG21 VAL 10 HG21 VAL 10 0.129 5.885 3.972 78 HG22 VAL 10 HG22 VAL 10 -0.805 4.497 4.560 79 HG23 VAL 10 HG23 VAL 10 -0.282 4.577 2.866 80 H ILE 11 HN ILE 11 -0.856 1.269 5.042 81 HA ILE 11 HA ILE 11 -2.361 1.633 2.565 82 HB ILE 11 HB ILE 11 -2.504 -0.432 4.736 83 HG12 ILE 11 HG12 ILE 11 -0.884 -1.080 3.206 84 HG13 ILE 11 HG11 ILE 11 -2.325 -1.963 2.707 85 HG21 ILE 11 HG21 ILE 11 -4.481 0.021 2.542 86 HG22 ILE 11 HG22 ILE 11 -4.757 0.149 4.279 87 HG23 ILE 11 HG23 ILE 11 -4.415 -1.422 3.554 88 HD11 ILE 11 HD11 ILE 11 -1.230 0.540 1.499 89 HD12 ILE 11 HD12 ILE 11 -2.756 -0.211 1.045 90 HD13 ILE 11 HD13 ILE 11 -1.238 -1.072 0.785 91 H LYS 12 HN LYS 12 -3.930 3.150 2.717 92 HA LYS 12 HA LYS 12 -5.195 3.515 5.346 93 HB2 LYS 12 HB2 LYS 12 -3.860 5.458 3.883 94 HB3 LYS 12 HB1 LYS 12 -5.587 5.740 3.497 95 HG2 LYS 12 HG2 LYS 12 -6.077 5.772 5.910 96 HG3 LYS 12 HG1 LYS 12 -4.349 5.635 6.223 97 HD2 LYS 12 HD2 LYS 12 -3.960 7.748 5.061 98 HD3 LYS 12 HD1 LYS 12 -5.684 7.877 4.706 99 HE2 LYS 12 HE2 LYS 12 -6.153 7.931 7.120 100 HE3 LYS 12 HE1 LYS 12 -4.424 7.851 7.448 101 HZ1 LYS 12 HZ1 LYS 12 -5.831 10.036 6.012 102 HZ2 LYS 12 HZ2 LYS 12 -4.162 9.957 6.264 103 HZ3 LYS 12 HZ3 LYS 12 -5.210 10.112 7.583 104 H ASN 13 HN ASN 13 -7.465 3.918 5.326 105 HA ASN 13 HA ASN 13 -8.809 3.846 2.723 106 HB2 ASN 13 HB2 ASN 13 -8.983 1.578 3.817 107 HB3 ASN 13 HB1 ASN 13 -9.852 2.347 5.140 108 HD21 ASN 13 HD21 ASN 13 -10.859 0.289 3.493 109 HD22 ASN 13 HD22 ASN 13 -12.212 0.910 2.618 110 H THR 14 HN THR 14 -10.363 5.385 2.574 111 HA THR 14 HA THR 14 -11.718 6.383 4.816 112 HB THR 14 HB THR 14 -9.700 7.428 5.449 113 HG1 THR 14 HG1 THR 14 -10.364 9.580 5.451 114 HG21 THR 14 HG21 THR 14 -8.597 8.986 3.873 115 HG22 THR 14 HG22 THR 14 -9.714 8.395 2.629 116 HG23 THR 14 HG23 THR 14 -8.545 7.281 3.390 117 H LEU 15 HN LEU 15 -13.213 5.688 2.869 118 HA LEU 15 HA LEU 15 -13.842 7.974 1.327 119 HB2 LEU 15 HB2 LEU 15 -15.657 5.671 2.050 120 HB3 LEU 15 HB1 LEU 15 -16.014 6.917 0.919 121 HG LEU 15 HG LEU 15 -14.422 6.152 -0.623 122 HD11 LEU 15 HD11 LEU 15 -12.970 4.292 -0.200 123 HD12 LEU 15 HD12 LEU 15 -13.484 4.329 1.503 124 HD13 LEU 15 HD13 LEU 15 -12.687 5.743 0.770 125 HD21 LEU 15 HD21 LEU 15 -16.525 4.931 -0.650 126 HD22 LEU 15 HD22 LEU 15 -15.889 3.806 0.549 127 HD23 LEU 15 HD23 LEU 15 -15.184 3.863 -1.067 128 H GLY 16 HN GLY 16 -14.474 6.560 4.307 129 HA2 GLY 16 HA2 GLY 16 -14.947 8.587 5.957 130 HA3 GLY 16 HA1 GLY 16 -16.550 8.315 5.249 131 HA PRO 17 HA PRO 17 -15.889 5.582 9.020 132 HB2 PRO 17 HB2 PRO 17 -18.626 5.478 9.532 133 HB3 PRO 17 HB1 PRO 17 -17.471 6.563 10.305 134 HG2 PRO 17 HG2 PRO 17 -19.329 7.082 8.030 135 HG3 PRO 17 HG1 PRO 17 -18.846 8.156 9.356 136 HD2 PRO 17 HD2 PRO 17 -17.833 8.435 6.893 137 HD3 PRO 17 HD1 PRO 17 -16.839 8.715 8.337 138 H SER 18 HN SER 18 -16.009 3.421 9.072 139 HA SER 18 HA SER 18 -16.579 1.277 8.674 140 HB2 SER 18 HB2 SER 18 -19.046 2.448 7.379 141 HB3 SER 18 HB1 SER 18 -18.811 0.743 7.771 142 HG SER 18 HG SER 18 -18.762 1.254 9.932 143 H ARG 19 HN ARG 19 -15.068 2.934 6.665 144 HA ARG 19 HA ARG 19 -15.488 1.285 4.281 145 HB2 ARG 19 HB2 ARG 19 -13.846 3.726 4.858 146 HB3 ARG 19 HB1 ARG 19 -13.332 2.658 3.574 147 HG2 ARG 19 HG2 ARG 19 -14.665 4.619 2.891 148 HG3 ARG 19 HG1 ARG 19 -15.284 3.062 2.336 149 HD2 ARG 19 HD2 ARG 19 -16.328 4.186 4.885 150 HD3 ARG 19 HD1 ARG 19 -16.880 4.899 3.369 151 HE ARG 19 HE ARG 19 -17.070 2.006 3.555 152 HH11 ARG 19 HH11 ARG 19 -18.696 5.084 3.903 153 HH12 ARG 19 HH12 ARG 19 -20.284 4.401 3.778 154 HH21 ARG 19 HH21 ARG 19 -19.158 1.107 3.397 155 HH22 ARG 19 HH22 ARG 19 -20.550 2.141 3.502 156 H ILE 20 HN ILE 20 -14.422 -0.607 4.054 157 HA ILE 20 HA ILE 20 -11.946 -0.990 5.604 158 HB ILE 20 HB ILE 20 -13.983 -3.187 5.375 159 HG12 ILE 20 HG12 ILE 20 -14.674 -0.995 6.649 160 HG13 ILE 20 HG11 ILE 20 -15.103 -2.576 7.267 161 HG21 ILE 20 HG21 ILE 20 -12.777 -4.000 7.375 162 HG22 ILE 20 HG22 ILE 20 -11.641 -2.679 7.150 163 HG23 ILE 20 HG23 ILE 20 -11.789 -3.929 5.915 164 HD11 ILE 20 HD11 ILE 20 -12.806 -2.338 8.461 165 HD12 ILE 20 HD12 ILE 20 -14.264 -1.599 9.128 166 HD13 ILE 20 HD13 ILE 20 -13.110 -0.605 8.230 167 H LEU 21 HN LEU 21 -10.320 -1.811 4.391 168 HA LEU 21 HA LEU 21 -11.018 -3.461 2.043 169 HB2 LEU 21 HB2 LEU 21 -8.273 -2.487 2.895 170 HB3 LEU 21 HB1 LEU 21 -8.623 -3.403 1.428 171 HG LEU 21 HG LEU 21 -8.485 -1.388 0.480 172 HD11 LEU 21 HD11 LEU 21 -10.830 -1.933 0.181 173 HD12 LEU 21 HD12 LEU 21 -10.583 -0.188 0.267 174 HD13 LEU 21 HD13 LEU 21 -11.231 -1.057 1.658 175 HD21 LEU 21 HD21 LEU 21 -7.600 -0.303 2.401 176 HD22 LEU 21 HD22 LEU 21 -9.198 -0.192 3.135 177 HD23 LEU 21 HD23 LEU 21 -8.827 0.744 1.689 178 H GLN 22 HN GLN 22 -10.552 -5.674 2.094 179 HA GLN 22 HA GLN 22 -8.955 -6.618 4.337 180 HB2 GLN 22 HB2 GLN 22 -10.893 -7.997 3.687 181 HB3 GLN 22 HB1 GLN 22 -10.273 -8.106 2.043 182 HG2 GLN 22 HG2 GLN 22 -8.202 -9.113 3.084 183 HG3 GLN 22 HG1 GLN 22 -9.168 -9.321 4.541 184 HE21 GLN 22 HE21 GLN 22 -10.896 -10.770 4.521 185 HE22 GLN 22 HE22 GLN 22 -11.042 -12.000 3.315 186 H TYR 23 HN TYR 23 -6.867 -6.015 3.972 187 HA TYR 23 HA TYR 23 -6.023 -5.949 1.178 188 HB2 TYR 23 HB2 TYR 23 -4.590 -4.178 1.621 189 HB3 TYR 23 HB1 TYR 23 -6.012 -3.815 2.586 190 HD1 TYR 23 HD1 TYR 23 -5.953 -4.181 5.019 191 HD2 TYR 23 HD2 TYR 23 -2.477 -4.490 2.617 192 HE1 TYR 23 HE1 TYR 23 -4.559 -3.946 7.034 193 HE2 TYR 23 HE2 TYR 23 -1.055 -4.259 4.614 194 HH TYR 23 HH TYR 23 -1.287 -3.254 6.923 195 H HIS 24 HN HIS 24 -4.823 -7.458 0.488 196 HA HIS 24 HA HIS 24 -3.167 -8.969 2.364 197 HB2 HIS 24 HB2 HIS 24 -4.633 -10.217 0.811 198 HB3 HIS 24 HB1 HIS 24 -3.776 -9.512 -0.544 199 HD1 HIS 24 HD1 HIS 24 -1.505 -10.314 2.185 200 HD2 HIS 24 HD2 HIS 24 -3.135 -12.314 -1.094 201 HE1 HIS 24 HE1 HIS 24 -0.046 -12.339 1.812 202 HE2 HIS 24 HE2 HIS 24 -1.077 -13.557 -0.137 203 H CYS 25 HN CYS 25 -1.385 -7.693 2.685 204 HA CYS 25 HA CYS 25 0.032 -6.935 0.274 205 HB2 CYS 25 HB2 CYS 25 -0.423 -5.440 2.477 206 HB3 CYS 25 HB1 CYS 25 1.166 -6.100 2.855 207 H ARG 26 HN ARG 26 2.395 -7.203 0.244 208 HA ARG 26 HA ARG 26 3.208 -9.748 1.429 209 HB2 ARG 26 HB2 ARG 26 2.981 -9.283 -1.557 210 HB3 ARG 26 HB1 ARG 26 3.717 -10.689 -0.804 211 HG2 ARG 26 HG2 ARG 26 1.665 -11.512 -0.060 212 HG3 ARG 26 HG1 ARG 26 0.860 -9.957 -0.288 213 HD2 ARG 26 HD2 ARG 26 1.971 -11.664 -2.510 214 HD3 ARG 26 HD1 ARG 26 0.279 -11.628 -2.018 215 HE ARG 26 HE ARG 26 1.025 -9.007 -2.548 216 HH11 ARG 26 HH11 ARG 26 0.736 -12.016 -4.310 217 HH12 ARG 26 HH12 ARG 26 0.344 -11.248 -5.814 218 HH21 ARG 26 HH21 ARG 26 0.504 -7.988 -4.536 219 HH22 ARG 26 HH22 ARG 26 0.227 -8.961 -5.946 220 H SER 27 HN SER 27 5.262 -9.457 2.053 221 HA SER 27 HA SER 27 6.913 -7.366 1.179 222 HB2 SER 27 HB2 SER 27 7.347 -8.573 3.276 223 HB3 SER 27 HB1 SER 27 7.691 -10.040 2.366 224 HG SER 27 HG SER 27 9.660 -9.196 2.687 225 H GLY 28 HN GLY 28 8.594 -7.356 -0.248 226 HA2 GLY 28 HA2 GLY 28 7.997 -8.428 -2.735 227 HA3 GLY 28 HA1 GLY 28 9.515 -7.650 -2.283 228 H ASN 29 HN ASN 29 9.717 -9.850 -0.132 229 HA ASN 29 HA ASN 29 10.269 -12.175 -1.820 230 HB2 ASN 29 HB2 ASN 29 12.383 -12.524 -0.526 231 HB3 ASN 29 HB1 ASN 29 12.417 -11.145 -1.614 232 HD21 ASN 29 HD21 ASN 29 14.053 -10.139 -0.488 233 HD22 ASN 29 HD22 ASN 29 13.817 -9.420 1.071 234 H THR 30 HN THR 30 8.250 -11.347 0.301 235 HA THR 30 HA THR 30 8.262 -13.789 1.816 236 HB THR 30 HB THR 30 8.871 -11.181 3.183 237 HG1 THR 30 HG1 THR 30 10.395 -13.109 2.429 238 HG21 THR 30 HG21 THR 30 7.378 -13.505 4.219 239 HG22 THR 30 HG22 THR 30 7.349 -11.805 4.717 240 HG23 THR 30 HG23 THR 30 8.654 -12.866 5.254 241 H ASN 31 HN ASN 31 6.174 -14.382 1.628 242 HA ASN 31 HA ASN 31 4.066 -12.438 1.408 243 HB2 ASN 31 HB2 ASN 31 4.056 -15.451 1.566 244 HB3 ASN 31 HB1 ASN 31 2.576 -14.502 1.495 245 HD21 ASN 31 HD21 ASN 31 3.667 -16.447 -0.388 246 HD22 ASN 31 HD22 ASN 31 3.802 -15.616 -1.896 247 H VAL 32 HN VAL 32 3.272 -11.374 3.092 248 HA VAL 32 HA VAL 32 2.470 -12.713 5.430 249 HB VAL 32 HB VAL 32 4.523 -12.562 6.331 250 HG11 VAL 32 HG11 VAL 32 6.070 -10.878 5.820 251 HG12 VAL 32 HG12 VAL 32 4.786 -9.841 5.181 252 HG13 VAL 32 HG13 VAL 32 5.203 -11.331 4.350 253 HG21 VAL 32 HG21 VAL 32 4.525 -10.790 7.997 254 HG22 VAL 32 HG22 VAL 32 2.891 -11.428 7.811 255 HG23 VAL 32 HG23 VAL 32 3.323 -9.884 7.074 256 H GLY 33 HN GLY 33 0.375 -11.920 5.245 257 HA2 GLY 33 HA2 GLY 33 -0.518 -10.052 6.773 258 HA3 GLY 33 HA1 GLY 33 0.194 -8.999 5.567 259 H VAL 34 HN VAL 34 -2.515 -10.923 6.429 260 HA VAL 34 HA VAL 34 -3.930 -9.645 4.185 261 HB VAL 34 HB VAL 34 -4.808 -12.275 5.389 262 HG11 VAL 34 HG11 VAL 34 -5.661 -10.840 2.875 263 HG12 VAL 34 HG12 VAL 34 -6.535 -10.796 4.405 264 HG13 VAL 34 HG13 VAL 34 -6.359 -12.323 3.532 265 HG21 VAL 34 HG21 VAL 34 -4.060 -13.311 3.277 266 HG22 VAL 34 HG22 VAL 34 -2.720 -12.662 4.223 267 HG23 VAL 34 HG23 VAL 34 -3.317 -11.777 2.817 268 H GLN 35 HN GLN 35 -4.576 -7.898 5.513 269 HA GLN 35 HA GLN 35 -6.091 -8.548 7.918 270 HB2 GLN 35 HB2 GLN 35 -3.835 -7.806 8.447 271 HB3 GLN 35 HB1 GLN 35 -4.039 -6.383 7.435 272 HG2 GLN 35 HG2 GLN 35 -5.647 -5.485 8.888 273 HG3 GLN 35 HG1 GLN 35 -5.728 -6.982 9.796 274 HE21 GLN 35 HE21 GLN 35 -2.830 -7.361 9.741 275 HE22 GLN 35 HE22 GLN 35 -2.175 -6.233 10.873 276 H TYR 36 HN TYR 36 -7.709 -6.934 8.516 277 HA TYR 36 HA TYR 36 -8.709 -5.416 6.230 278 HB2 TYR 36 HB2 TYR 36 -9.913 -5.928 8.957 279 HB3 TYR 36 HB1 TYR 36 -10.619 -4.847 7.781 280 HD1 TYR 36 HD1 TYR 36 -9.226 -8.300 7.739 281 HD2 TYR 36 HD2 TYR 36 -12.447 -5.732 6.686 282 HE1 TYR 36 HE1 TYR 36 -10.406 -10.200 6.742 283 HE2 TYR 36 HE2 TYR 36 -13.638 -7.624 5.679 284 HH TYR 36 HH TYR 36 -12.665 -10.870 6.156 285 H LEU 37 HN LEU 37 -9.295 -3.161 6.488 286 HA LEU 37 HA LEU 37 -8.150 -1.753 8.764 287 HB2 LEU 37 HB2 LEU 37 -6.337 -1.668 7.174 288 HB3 LEU 37 HB1 LEU 37 -7.428 -1.148 5.902 289 HG LEU 37 HG LEU 37 -7.864 0.933 7.223 290 HD11 LEU 37 HD11 LEU 37 -6.141 1.521 8.926 291 HD12 LEU 37 HD12 LEU 37 -5.627 -0.166 8.909 292 HD13 LEU 37 HD13 LEU 37 -7.259 0.254 9.420 293 HD21 LEU 37 HD21 LEU 37 -6.373 0.977 5.350 294 HD22 LEU 37 HD22 LEU 37 -5.048 0.370 6.342 295 HD23 LEU 37 HD23 LEU 37 -5.711 1.974 6.645 296 H ASN 38 HN ASN 38 -9.298 0.013 9.328 297 HA ASN 38 HA ASN 38 -11.746 0.494 7.803 298 HB2 ASN 38 HB2 ASN 38 -11.604 -0.031 10.369 299 HB3 ASN 38 HB1 ASN 38 -11.199 1.664 10.516 300 HD21 ASN 38 HD21 ASN 38 -13.461 0.239 11.572 301 HD22 ASN 38 HD22 ASN 38 -14.876 0.987 10.919 302 H PHE 39 HN PHE 39 -12.523 2.807 8.330 303 HA PHE 39 HA PHE 39 -10.980 4.697 6.904 304 HB2 PHE 39 HB2 PHE 39 -13.212 5.168 6.824 305 HB3 PHE 39 HB1 PHE 39 -13.456 4.740 8.505 306 HD1 PHE 39 HD1 PHE 39 -12.149 7.404 6.264 307 HD2 PHE 39 HD2 PHE 39 -13.493 6.346 10.170 308 HE1 PHE 39 HE1 PHE 39 -12.213 9.786 6.895 309 HE2 PHE 39 HE2 PHE 39 -13.552 8.727 10.801 310 HZ PHE 39 HZ PHE 39 -12.913 10.447 9.161 311 H LYS 40 HN LYS 40 -10.872 3.670 10.041 312 HA LYS 40 HA LYS 40 -10.107 5.487 11.796 313 HB2 LYS 40 HB2 LYS 40 -9.978 2.965 11.984 314 HB3 LYS 40 HB1 LYS 40 -8.383 3.088 11.267 315 HG2 LYS 40 HG2 LYS 40 -9.090 4.551 13.785 316 HG3 LYS 40 HG1 LYS 40 -8.537 2.879 13.797 317 HD2 LYS 40 HD2 LYS 40 -6.493 3.609 12.583 318 HD3 LYS 40 HD1 LYS 40 -7.041 5.278 12.748 319 HE2 LYS 40 HE2 LYS 40 -5.444 4.778 14.488 320 HE3 LYS 40 HE1 LYS 40 -7.041 4.999 15.199 321 HZ1 LYS 40 HZ1 LYS 40 -7.288 2.613 15.339 322 HZ2 LYS 40 HZ2 LYS 40 -5.875 3.088 16.133 323 HZ3 LYS 40 HZ3 LYS 40 -5.785 2.376 14.602 324 H GLY 41 HN GLY 41 -7.701 4.154 9.509 325 HA2 GLY 41 HA2 GLY 41 -6.525 6.513 8.766 326 HA3 GLY 41 HA1 GLY 41 -5.737 6.076 10.273 327 H THR 42 HN THR 42 -3.759 5.779 9.270 328 HA THR 42 HA THR 42 -3.464 3.918 7.090 329 HB THR 42 HB THR 42 -0.968 4.291 7.678 330 HG1 THR 42 HG1 THR 42 -1.487 5.303 9.746 331 HG21 THR 42 HG21 THR 42 -2.375 5.229 5.778 332 HG22 THR 42 HG22 THR 42 -0.939 6.151 6.237 333 HG23 THR 42 HG23 THR 42 -2.536 6.685 6.763 334 H ARG 43 HN ARG 43 -2.336 1.995 7.130 335 HA ARG 43 HA ARG 43 -2.098 0.712 9.765 336 HB2 ARG 43 HB2 ARG 43 -3.938 -0.088 7.976 337 HB3 ARG 43 HB1 ARG 43 -2.548 -0.938 7.320 338 HG2 ARG 43 HG2 ARG 43 -3.612 -1.202 10.127 339 HG3 ARG 43 HG1 ARG 43 -3.795 -2.377 8.822 340 HD2 ARG 43 HD2 ARG 43 -1.429 -2.777 8.773 341 HD3 ARG 43 HD1 ARG 43 -1.137 -1.468 9.917 342 HE ARG 43 HE ARG 43 -2.866 -3.553 10.909 343 HH11 ARG 43 HH11 ARG 43 0.456 -2.487 10.565 344 HH12 ARG 43 HH12 ARG 43 1.023 -3.406 11.918 345 HH21 ARG 43 HH21 ARG 43 -2.117 -4.763 12.684 346 HH22 ARG 43 HH22 ARG 43 -0.439 -4.708 13.121 347 H ILE 44 HN ILE 44 0.027 0.526 10.146 348 HA ILE 44 HA ILE 44 1.693 0.430 7.746 349 HB ILE 44 HB ILE 44 2.384 1.661 10.405 350 HG12 ILE 44 HG12 ILE 44 2.581 3.610 8.584 351 HG13 ILE 44 HG11 ILE 44 1.374 2.618 7.784 352 HG21 ILE 44 HG21 ILE 44 3.951 1.736 7.848 353 HG22 ILE 44 HG22 ILE 44 4.259 0.531 9.103 354 HG23 ILE 44 HG23 ILE 44 4.476 2.251 9.451 355 HD11 ILE 44 HD11 ILE 44 1.103 3.670 10.589 356 HD12 ILE 44 HD12 ILE 44 -0.123 2.828 9.637 357 HD13 ILE 44 HD13 ILE 44 0.417 4.435 9.157 358 H ILE 45 HN ILE 45 2.570 -1.294 7.360 359 HA ILE 45 HA ILE 45 3.393 -3.216 9.345 360 HB ILE 45 HB ILE 45 3.501 -3.261 6.412 361 HG12 ILE 45 HG12 ILE 45 1.660 -4.699 8.183 362 HG13 ILE 45 HG11 ILE 45 1.310 -3.126 7.507 363 HG21 ILE 45 HG21 ILE 45 3.725 -5.704 6.681 364 HG22 ILE 45 HG22 ILE 45 3.975 -5.431 8.405 365 HG23 ILE 45 HG23 ILE 45 5.126 -4.790 7.230 366 HD11 ILE 45 HD11 ILE 45 1.675 -5.702 6.105 367 HD12 ILE 45 HD12 ILE 45 1.914 -4.160 5.281 368 HD13 ILE 45 HD13 ILE 45 0.338 -4.555 5.989 369 H LYS 46 HN LYS 46 5.619 -4.055 9.269 370 HA LYS 46 HA LYS 46 7.404 -2.595 7.526 371 HB2 LYS 46 HB2 LYS 46 9.125 -2.287 9.359 372 HB3 LYS 46 HB1 LYS 46 7.735 -1.215 9.392 373 HG2 LYS 46 HG2 LYS 46 6.753 -2.427 11.198 374 HG3 LYS 46 HG1 LYS 46 7.984 -3.687 11.084 375 HD2 LYS 46 HD2 LYS 46 8.326 -2.024 12.941 376 HD3 LYS 46 HD1 LYS 46 9.690 -2.209 11.841 377 HE2 LYS 46 HE2 LYS 46 9.318 0.136 12.350 378 HE3 LYS 46 HE1 LYS 46 8.998 -0.182 10.649 379 HZ1 LYS 46 HZ1 LYS 46 6.594 -0.333 11.287 380 HZ2 LYS 46 HZ2 LYS 46 7.279 1.207 11.419 381 HZ3 LYS 46 HZ3 LYS 46 7.019 0.271 12.808 382 H PHE 47 HN PHE 47 9.652 -3.471 7.570 383 HA PHE 47 HA PHE 47 10.207 -6.099 8.321 384 HB2 PHE 47 HB2 PHE 47 8.408 -6.293 6.321 385 HB3 PHE 47 HB1 PHE 47 9.856 -6.036 5.358 386 HD1 PHE 47 HD1 PHE 47 8.336 -8.488 5.037 387 HD2 PHE 47 HD2 PHE 47 11.413 -7.598 7.860 388 HE1 PHE 47 HE1 PHE 47 8.889 -10.866 5.196 389 HE2 PHE 47 HE2 PHE 47 11.961 -9.957 7.989 390 HZ PHE 47 HZ PHE 47 10.714 -11.598 6.786 391 H LYS 48 HN LYS 48 12.402 -6.332 7.979 392 HA LYS 48 HA LYS 48 13.520 -3.816 7.025 393 HB2 LYS 48 HB2 LYS 48 15.165 -4.043 8.841 394 HB3 LYS 48 HB1 LYS 48 13.477 -3.965 9.381 395 HG2 LYS 48 HG2 LYS 48 13.469 -6.396 9.672 396 HG3 LYS 48 HG1 LYS 48 15.158 -6.465 9.169 397 HD2 LYS 48 HD2 LYS 48 14.221 -4.812 11.501 398 HD3 LYS 48 HD1 LYS 48 14.717 -6.496 11.668 399 HE2 LYS 48 HE2 LYS 48 16.439 -4.307 10.514 400 HE3 LYS 48 HE1 LYS 48 16.516 -4.865 12.183 401 HZ1 LYS 48 HZ1 LYS 48 17.064 -7.086 11.339 402 HZ2 LYS 48 HZ2 LYS 48 18.212 -5.933 10.890 403 HZ3 LYS 48 HZ3 LYS 48 17.083 -6.483 9.759 404 H ASP 49 HN ASP 49 15.308 -3.771 5.777 405 HA ASP 49 HA ASP 49 16.252 -6.383 4.811 406 HB2 ASP 49 HB2 ASP 49 14.727 -5.526 3.162 407 HB3 ASP 49 HB1 ASP 49 15.505 -3.944 3.194 408 H ASP 50 HN ASP 50 18.361 -6.656 4.708 409 HA ASP 50 HA ASP 50 20.081 -4.344 4.191 410 HB2 ASP 50 HB2 ASP 50 21.771 -5.193 5.801 411 HB3 ASP 50 HB1 ASP 50 20.284 -4.674 6.584 412 H GLY 51 HN GLY 51 18.975 -7.135 3.096 413 HA2 GLY 51 HA2 GLY 51 21.579 -8.004 1.999 414 HA3 GLY 51 HA1 GLY 51 20.227 -9.091 2.285 415 H THR 52 HN THR 52 19.045 -6.225 1.246 416 HA THR 52 HA THR 52 18.038 -5.465 -0.606 417 HB THR 52 HB THR 52 19.126 -5.479 -2.694 418 HG1 THR 52 HG1 THR 52 20.472 -7.692 -1.646 419 HG21 THR 52 HG21 THR 52 20.005 -3.955 -1.026 420 HG22 THR 52 HG22 THR 52 21.310 -4.523 -2.068 421 HG23 THR 52 HG23 THR 52 21.118 -5.193 -0.448 422 H GLU 53 HN GLU 53 17.939 -6.632 -3.251 423 HA GLU 53 HA GLU 53 16.201 -7.543 -4.317 424 HB2 GLU 53 HB2 GLU 53 17.178 -9.907 -2.741 425 HB3 GLU 53 HB1 GLU 53 16.296 -9.930 -4.248 426 HG2 GLU 53 HG2 GLU 53 18.128 -8.896 -5.412 427 HG3 GLU 53 HG1 GLU 53 19.023 -8.752 -3.901 428 H ARG 54 HN ARG 54 15.436 -6.233 -1.933 429 HA ARG 54 HA ARG 54 13.666 -7.884 -0.431 430 HB2 ARG 54 HB2 ARG 54 12.888 -5.879 0.656 431 HB3 ARG 54 HB1 ARG 54 14.635 -5.828 0.520 432 HG2 ARG 54 HG2 ARG 54 12.982 -4.469 -1.554 433 HG3 ARG 54 HG1 ARG 54 13.171 -3.715 0.028 434 HD2 ARG 54 HD2 ARG 54 14.995 -2.799 -0.917 435 HD3 ARG 54 HD1 ARG 54 15.735 -4.345 -0.513 436 HE ARG 54 HE ARG 54 14.509 -4.342 -3.111 437 HH11 ARG 54 HH11 ARG 54 17.372 -3.471 -1.307 438 HH12 ARG 54 HH12 ARG 54 18.413 -3.481 -2.699 439 HH21 ARG 54 HH21 ARG 54 15.880 -4.361 -4.954 440 HH22 ARG 54 HH22 ARG 54 17.568 -4.002 -4.764 441 H SER 55 HN SER 55 13.306 -5.875 -3.246 442 HA SER 55 HA SER 55 11.731 -5.674 -4.818 443 HB2 SER 55 HB2 SER 55 10.713 -8.295 -3.729 444 HB3 SER 55 HB1 SER 55 10.338 -7.613 -5.312 445 HG SER 55 HG SER 55 12.638 -7.683 -5.731 446 H ARG 56 HN ARG 56 10.752 -5.569 -1.626 447 HA ARG 56 HA ARG 56 9.308 -4.219 -0.615 448 HB2 ARG 56 HB2 ARG 56 9.368 -2.220 -1.594 449 HB3 ARG 56 HB1 ARG 56 9.936 -3.009 -3.060 450 HG2 ARG 56 HG2 ARG 56 7.004 -2.960 -2.604 451 HG3 ARG 56 HG1 ARG 56 7.788 -1.434 -3.012 452 HD2 ARG 56 HD2 ARG 56 8.484 -2.197 -5.083 453 HD3 ARG 56 HD1 ARG 56 8.367 -3.888 -4.609 454 HE ARG 56 HE ARG 56 6.015 -2.166 -5.118 455 HH11 ARG 56 HH11 ARG 56 7.677 -5.263 -5.287 456 HH12 ARG 56 HH12 ARG 56 6.387 -6.042 -6.153 457 HH21 ARG 56 HH21 ARG 56 4.322 -3.201 -6.237 458 HH22 ARG 56 HH22 ARG 56 4.497 -4.870 -6.707 459 H TRP 57 HN TRP 57 6.863 -3.350 -0.608 460 HA TRP 57 HA TRP 57 5.485 -5.918 -0.926 461 HB2 TRP 57 HB2 TRP 57 4.761 -3.586 0.838 462 HB3 TRP 57 HB1 TRP 57 3.876 -5.089 0.727 463 HD1 TRP 57 HD1 TRP 57 7.724 -4.670 1.207 464 HE1 TRP 57 HE1 TRP 57 8.357 -5.903 3.384 465 HE3 TRP 57 HE3 TRP 57 3.060 -6.063 2.726 466 HZ2 TRP 57 HZ2 TRP 57 7.025 -7.264 5.478 467 HZ3 TRP 57 HZ3 TRP 57 2.818 -7.317 4.822 468 HH2 TRP 57 HH2 TRP 57 4.764 -7.905 6.170 469 H ASN 58 HN ASN 58 3.623 -6.151 -1.955 470 HA ASN 58 HA ASN 58 2.259 -3.739 -2.926 471 HB2 ASN 58 HB2 ASN 58 3.279 -4.831 -4.841 472 HB3 ASN 58 HB1 ASN 58 2.610 -6.388 -4.368 473 HD21 ASN 58 HD21 ASN 58 1.966 -3.287 -5.799 474 HD22 ASN 58 HD22 ASN 58 0.406 -3.689 -6.439 475 H CYS 59 HN CYS 59 0.234 -3.605 -2.308 476 HA CYS 59 HA CYS 59 -0.850 -5.749 -0.639 477 HB2 CYS 59 HB2 CYS 59 -1.713 -2.866 -0.919 478 HB3 CYS 59 HB1 CYS 59 -2.317 -4.001 0.282 479 H LEU 60 HN LEU 60 -3.092 -6.391 -0.849 480 HA LEU 60 HA LEU 60 -4.243 -5.735 -3.467 481 HB2 LEU 60 HB2 LEU 60 -3.471 -8.019 -3.577 482 HB3 LEU 60 HB1 LEU 60 -4.176 -8.383 -2.016 483 HG LEU 60 HG LEU 60 -6.435 -8.061 -2.990 484 HD11 LEU 60 HD11 LEU 60 -4.920 -7.806 -5.582 485 HD12 LEU 60 HD12 LEU 60 -5.876 -6.547 -4.799 486 HD13 LEU 60 HD13 LEU 60 -6.667 -7.991 -5.431 487 HD21 LEU 60 HD21 LEU 60 -5.450 -10.287 -2.823 488 HD22 LEU 60 HD22 LEU 60 -4.714 -10.084 -4.413 489 HD23 LEU 60 HD23 LEU 60 -6.468 -10.142 -4.255 490 H PHE 61 HN PHE 61 -6.085 -4.750 -3.252 491 HA PHE 61 HA PHE 61 -7.383 -4.866 -0.652 492 HB2 PHE 61 HB2 PHE 61 -7.730 -2.992 -3.030 493 HB3 PHE 61 HB1 PHE 61 -8.790 -2.957 -1.640 494 HD1 PHE 61 HD1 PHE 61 -6.107 -3.679 0.017 495 HD2 PHE 61 HD2 PHE 61 -7.399 -0.531 -2.512 496 HE1 PHE 61 HE1 PHE 61 -4.531 -2.213 1.114 497 HE2 PHE 61 HE2 PHE 61 -5.871 1.014 -1.377 498 HZ PHE 61 HZ PHE 61 -4.533 0.401 0.297 499 H ARG 62 HN ARG 62 -9.528 -5.606 -0.491 500 HA ARG 62 HA ARG 62 -11.204 -5.951 -2.778 501 HB2 ARG 62 HB2 ARG 62 -9.769 -7.903 -3.177 502 HB3 ARG 62 HB1 ARG 62 -9.958 -8.458 -1.523 503 HG2 ARG 62 HG2 ARG 62 -11.299 -9.791 -3.048 504 HG3 ARG 62 HG1 ARG 62 -12.322 -8.900 -1.930 505 HD2 ARG 62 HD2 ARG 62 -12.735 -7.217 -3.658 506 HD3 ARG 62 HD1 ARG 62 -11.723 -8.124 -4.781 507 HE ARG 62 HE ARG 62 -13.365 -9.921 -4.648 508 HH11 ARG 62 HH11 ARG 62 -14.400 -6.721 -3.626 509 HH12 ARG 62 HH12 ARG 62 -16.076 -7.043 -3.900 510 HH21 ARG 62 HH21 ARG 62 -15.570 -10.324 -5.008 511 HH22 ARG 62 HH22 ARG 62 -16.745 -9.087 -4.682 512 H GLN 63 HN GLN 63 -13.273 -7.103 -2.036 513 HA GLN 63 HA GLN 63 -13.685 -7.366 0.820 514 HB2 GLN 63 HB2 GLN 63 -14.220 -4.977 0.183 515 HB3 GLN 63 HB1 GLN 63 -15.484 -5.606 -0.861 516 HG2 GLN 63 HG2 GLN 63 -16.605 -6.585 1.070 517 HG3 GLN 63 HG1 GLN 63 -15.332 -5.968 2.123 518 HE21 GLN 63 HE21 GLN 63 -18.087 -5.155 0.175 519 HE22 GLN 63 HE22 GLN 63 -18.288 -3.547 0.775 520 H GLY 64 HN GLY 64 -13.512 -9.508 -0.522 521 HA2 GLY 64 HA2 GLY 64 -15.635 -11.087 -0.431 522 HA3 GLY 64 HA1 GLY 64 -15.982 -10.212 -1.917 523 H ILE 65 HN ILE 65 -15.816 -12.024 -3.210 524 HA ILE 65 HA ILE 65 -13.668 -13.800 -3.298 525 HB ILE 65 HB ILE 65 -15.762 -14.289 -4.411 526 HG12 ILE 65 HG12 ILE 65 -14.874 -15.062 -6.613 527 HG13 ILE 65 HG11 ILE 65 -13.417 -14.119 -6.322 528 HG21 ILE 65 HG21 ILE 65 -16.124 -11.930 -5.087 529 HG22 ILE 65 HG22 ILE 65 -16.510 -13.118 -6.335 530 HG23 ILE 65 HG23 ILE 65 -15.006 -12.186 -6.432 531 HD11 ILE 65 HD11 ILE 65 -12.898 -15.488 -4.387 532 HD12 ILE 65 HD12 ILE 65 -13.093 -16.484 -5.829 533 HD13 ILE 65 HD13 ILE 65 -14.383 -16.409 -4.628 534 H ASN 66 HN ASN 66 -11.482 -13.235 -3.668 535 HA ASN 66 HA ASN 66 -11.182 -11.181 -5.749 536 HB2 ASN 66 HB2 ASN 66 -8.712 -11.229 -5.003 537 HB3 ASN 66 HB1 ASN 66 -9.882 -10.465 -3.942 538 HD21 ASN 66 HD21 ASN 66 -7.730 -13.141 -4.385 539 HD22 ASN 66 HD22 ASN 66 -7.827 -13.741 -2.764 540 H MET 67 HN MET 67 -11.939 -13.237 -7.048 541 HA MET 67 HA MET 67 -9.467 -13.828 -8.501 542 HB2 MET 67 HB2 MET 67 -11.339 -15.549 -8.433 543 HB3 MET 67 HB1 MET 67 -12.317 -14.414 -9.355 544 HG2 MET 67 HG2 MET 67 -11.303 -16.098 -10.792 545 HG3 MET 67 HG1 MET 67 -10.716 -14.480 -11.177 546 HE1 MET 67 HE1 MET 67 -8.665 -15.423 -12.536 547 HE2 MET 67 HE2 MET 67 -9.249 -17.061 -12.240 548 HE3 MET 67 HE3 MET 67 -7.563 -16.654 -11.921 549 H LYS 68 HN LYS 68 -12.089 -11.794 -8.057 550 HA LYS 68 HA LYS 68 -11.420 -10.012 -10.272 551 HB2 LYS 68 HB2 LYS 68 -14.142 -11.150 -9.579 552 HB3 LYS 68 HB1 LYS 68 -13.927 -9.708 -10.577 553 HG2 LYS 68 HG2 LYS 68 -12.577 -11.087 -12.159 554 HG3 LYS 68 HG1 LYS 68 -13.017 -12.506 -11.209 555 HD2 LYS 68 HD2 LYS 68 -15.359 -12.138 -11.665 556 HD3 LYS 68 HD1 LYS 68 -14.992 -10.625 -12.496 557 HE2 LYS 68 HE2 LYS 68 -13.713 -11.883 -14.175 558 HE3 LYS 68 HE1 LYS 68 -14.134 -13.385 -13.355 559 HZ1 LYS 68 HZ1 LYS 68 -16.470 -12.904 -13.787 560 HZ2 LYS 68 HZ2 LYS 68 -15.588 -12.993 -15.223 561 HZ3 LYS 68 HZ3 LYS 68 -16.043 -11.490 -14.607 562 H PHE 69 HN PHE 69 -12.646 -7.902 -9.944 563 HA PHE 69 HA PHE 69 -13.374 -6.132 -8.735 564 HB2 PHE 69 HB2 PHE 69 -14.114 -8.323 -6.795 565 HB3 PHE 69 HB1 PHE 69 -14.413 -6.618 -6.449 566 HD1 PHE 69 HD1 PHE 69 -16.042 -5.359 -7.767 567 HD2 PHE 69 HD2 PHE 69 -15.418 -9.521 -8.384 568 HE1 PHE 69 HE1 PHE 69 -18.173 -5.492 -8.989 569 HE2 PHE 69 HE2 PHE 69 -17.543 -9.661 -9.612 570 HZ PHE 69 HZ PHE 69 -18.926 -7.645 -9.915 571 H PHE 70 HN PHE 70 -12.547 -4.603 -7.413 572 HA PHE 70 HA PHE 70 -11.296 -3.579 -5.821 573 HB2 PHE 70 HB2 PHE 70 -11.657 -6.124 -4.759 574 HB3 PHE 70 HB1 PHE 70 -10.049 -5.505 -4.348 575 HD1 PHE 70 HD1 PHE 70 -13.536 -5.294 -3.612 576 HD2 PHE 70 HD2 PHE 70 -9.913 -3.085 -3.558 577 HE1 PHE 70 HE1 PHE 70 -14.516 -3.725 -2.039 578 HE2 PHE 70 HE2 PHE 70 -10.877 -1.525 -1.991 579 HZ PHE 70 HZ PHE 70 -13.194 -1.820 -1.197 580 H THR 71 HN THR 71 -8.766 -3.637 -4.967 581 HA THR 71 HA THR 71 -7.421 -3.717 -7.570 582 HB THR 71 HB THR 71 -8.378 -1.492 -7.206 583 HG1 THR 71 HG1 THR 71 -6.490 -1.480 -8.383 584 HG21 THR 71 HG21 THR 71 -6.571 -1.430 -4.801 585 HG22 THR 71 HG22 THR 71 -8.330 -1.496 -4.765 586 HG23 THR 71 HG23 THR 71 -7.510 -0.067 -5.418 587 H GLU 72 HN GLU 72 -5.262 -4.096 -7.609 588 HA GLU 72 HA GLU 72 -3.945 -4.595 -5.047 589 HB2 GLU 72 HB2 GLU 72 -2.145 -5.625 -6.473 590 HB3 GLU 72 HB1 GLU 72 -3.705 -6.426 -6.565 591 HG2 GLU 72 HG2 GLU 72 -4.159 -5.349 -8.692 592 HG3 GLU 72 HG1 GLU 72 -2.628 -4.482 -8.595 593 H VAL 73 HN VAL 73 -2.574 -3.142 -4.216 594 HA VAL 73 HA VAL 73 -1.413 -1.166 -6.007 595 HB VAL 73 HB VAL 73 -2.082 0.238 -3.647 596 HG11 VAL 73 HG11 VAL 73 -1.644 1.260 -5.797 597 HG12 VAL 73 HG12 VAL 73 -3.295 1.651 -5.311 598 HG13 VAL 73 HG13 VAL 73 -3.004 0.403 -6.521 599 HG21 VAL 73 HG21 VAL 73 -3.875 -1.458 -3.428 600 HG22 VAL 73 HG22 VAL 73 -4.439 -0.992 -5.037 601 HG23 VAL 73 HG23 VAL 73 -4.505 0.175 -3.707 602 H GLU 74 HN GLU 74 0.300 0.188 -4.856 603 HA GLU 74 HA GLU 74 2.226 -1.510 -3.620 604 HB2 GLU 74 HB2 GLU 74 2.202 1.465 -3.954 605 HB3 GLU 74 HB1 GLU 74 3.584 0.463 -3.539 606 HG2 GLU 74 HG2 GLU 74 2.035 0.230 -6.097 607 HG3 GLU 74 HG1 GLU 74 3.531 1.144 -5.909 608 H ALA 75 HN ALA 75 3.519 -0.162 -1.806 609 HA ALA 75 HA ALA 75 1.680 -0.564 0.441 610 HB1 ALA 75 HB1 ALA 75 4.523 -1.200 0.789 611 HB2 ALA 75 HB2 ALA 75 3.632 -2.205 -0.357 612 HB3 ALA 75 HB3 ALA 75 3.078 -2.077 1.309 613 H TYR 76 HN TYR 76 5.066 0.582 0.159 614 HA TYR 76 HA TYR 76 4.659 1.858 2.770 615 HB2 TYR 76 HB2 TYR 76 6.738 0.681 2.272 616 HB3 TYR 76 HB1 TYR 76 7.160 1.903 1.098 617 HD1 TYR 76 HD1 TYR 76 9.155 2.788 2.036 618 HD2 TYR 76 HD2 TYR 76 5.662 2.497 4.442 619 HE1 TYR 76 HE1 TYR 76 10.276 4.043 3.794 620 HE2 TYR 76 HE2 TYR 76 6.781 3.762 6.210 621 HH TYR 76 HH TYR 76 9.763 5.409 5.685 622 H ARG 77 HN ARG 77 5.996 4.153 3.133 623 HA ARG 77 HA ARG 77 4.264 6.031 1.721 624 HB2 ARG 77 HB2 ARG 77 4.490 5.863 4.284 625 HB3 ARG 77 HB1 ARG 77 6.027 6.689 4.069 626 HG2 ARG 77 HG2 ARG 77 4.860 8.558 2.993 627 HG3 ARG 77 HG1 ARG 77 3.323 7.734 3.256 628 HD2 ARG 77 HD2 ARG 77 3.884 7.727 5.715 629 HD3 ARG 77 HD1 ARG 77 5.226 8.802 5.328 630 HE ARG 77 HE ARG 77 2.474 9.537 4.596 631 HH11 ARG 77 HH11 ARG 77 5.440 10.227 6.329 632 HH12 ARG 77 HH12 ARG 77 4.927 11.806 6.820 633 HH21 ARG 77 HH21 ARG 77 1.811 11.609 5.231 634 HH22 ARG 77 HH22 ARG 77 2.867 12.599 6.192 635 HA PRO 78 HA PRO 78 7.748 7.152 -0.766 636 HB2 PRO 78 HB2 PRO 78 6.523 8.809 -2.404 637 HB3 PRO 78 HB1 PRO 78 6.158 7.080 -2.422 638 HG2 PRO 78 HG2 PRO 78 4.631 9.336 -1.181 639 HG3 PRO 78 HG1 PRO 78 4.021 7.937 -2.082 640 HD2 PRO 78 HD2 PRO 78 4.056 8.117 0.658 641 HD3 PRO 78 HD1 PRO 78 4.062 6.589 -0.244 642 H ASP 79 HN ASP 79 7.591 8.628 1.716 643 HA ASP 79 HA ASP 79 8.052 11.379 1.061 644 HB2 ASP 79 HB2 ASP 79 8.362 9.756 3.542 645 HB3 ASP 79 HB1 ASP 79 9.112 11.344 3.446 646 H LEU 80 HN LEU 80 9.663 11.730 -0.323 647 HA LEU 80 HA LEU 80 11.988 10.107 -0.446 648 HB2 LEU 80 HB2 LEU 80 11.686 12.769 -1.709 649 HB3 LEU 80 HB1 LEU 80 12.668 11.440 -2.261 650 HG LEU 80 HG LEU 80 9.648 11.527 -2.311 651 HD11 LEU 80 HD11 LEU 80 10.651 13.051 -3.926 652 HD12 LEU 80 HD12 LEU 80 9.905 11.670 -4.732 653 HD13 LEU 80 HD13 LEU 80 11.658 11.743 -4.547 654 HD21 LEU 80 HD21 LEU 80 11.575 9.470 -3.380 655 HD22 LEU 80 HD22 LEU 80 9.830 9.475 -3.631 656 HD23 LEU 80 HD23 LEU 80 10.486 9.263 -2.008 657 H LYS 81 HN LYS 81 11.099 12.537 1.534 658 HA LYS 81 HA LYS 81 13.668 13.824 1.811 659 HB2 LYS 81 HB2 LYS 81 12.545 15.175 3.542 660 HB3 LYS 81 HB1 LYS 81 11.677 15.177 2.013 661 HG2 LYS 81 HG2 LYS 81 10.254 13.308 3.035 662 HG3 LYS 81 HG1 LYS 81 10.962 13.798 4.575 663 HD2 LYS 81 HD2 LYS 81 9.418 15.577 2.688 664 HD3 LYS 81 HD1 LYS 81 8.810 14.895 4.197 665 HE2 LYS 81 HE2 LYS 81 10.400 16.165 5.474 666 HE3 LYS 81 HE1 LYS 81 11.187 16.736 4.003 667 HZ1 LYS 81 HZ1 LYS 81 8.397 17.353 4.809 668 HZ2 LYS 81 HZ2 LYS 81 9.173 17.914 3.417 669 HZ3 LYS 81 HZ3 LYS 81 9.715 18.407 4.939 670 H HIS 82 HN HIS 82 11.983 11.196 3.319 671 HA HIS 82 HA HIS 82 13.906 11.243 5.531 672 HB2 HIS 82 HB2 HIS 82 12.456 9.985 6.831 673 HB3 HIS 82 HB1 HIS 82 11.346 10.980 5.909 674 HD1 HIS 82 HD1 HIS 82 10.234 9.662 3.753 675 HD2 HIS 82 HD2 HIS 82 11.940 7.349 6.754 676 HE1 HIS 82 HE1 HIS 82 9.235 7.377 3.493 677 HE2 HIS 82 HE2 HIS 82 10.086 6.076 5.474 678 HA PRO 83 HA PRO 83 16.207 8.325 3.231 679 HB2 PRO 83 HB2 PRO 83 18.130 7.777 5.031 680 HB3 PRO 83 HB1 PRO 83 18.010 9.347 4.230 681 HG2 PRO 83 HG2 PRO 83 17.121 8.546 6.972 682 HG3 PRO 83 HG1 PRO 83 17.941 10.028 6.449 683 HD2 PRO 83 HD2 PRO 83 15.246 9.856 6.897 684 HD3 PRO 83 HD1 PRO 83 15.986 11.014 5.776 685 H LEU 84 HN LEU 84 15.373 6.409 2.798 686 HA LEU 84 HA LEU 84 16.025 4.206 4.566 687 HB2 LEU 84 HB2 LEU 84 13.218 4.669 3.524 688 HB3 LEU 84 HB1 LEU 84 13.773 3.100 4.094 689 HG LEU 84 HG LEU 84 13.462 5.627 5.745 690 HD11 LEU 84 HD11 LEU 84 11.355 4.601 5.259 691 HD12 LEU 84 HD12 LEU 84 11.782 4.256 6.933 692 HD13 LEU 84 HD13 LEU 84 11.977 3.013 5.699 693 HD21 LEU 84 HD21 LEU 84 14.421 2.893 6.569 694 HD22 LEU 84 HD22 LEU 84 14.022 4.214 7.668 695 HD23 LEU 84 HD23 LEU 84 15.373 4.378 6.548 696 H CYS 85 HN CYS 85 14.990 2.139 3.036 697 HA CYS 85 HA CYS 85 16.473 2.169 0.656 698 HB2 CYS 85 HB2 CYS 85 15.816 0.071 1.718 699 HB3 CYS 85 HB1 CYS 85 14.139 0.410 1.385 700 H GLY 86 HN GLY 86 15.512 1.947 -1.561 701 HA2 GLY 86 HA2 GLY 86 14.141 4.463 -1.939 702 HA3 GLY 86 HA1 GLY 86 14.868 3.470 -3.191 703 H LYS 87 HN LYS 87 12.666 1.943 -1.025 704 HA LYS 87 HA LYS 87 10.665 1.916 -3.187 705 HB2 LYS 87 HB2 LYS 87 11.796 -0.226 -1.509 706 HB3 LYS 87 HB1 LYS 87 10.051 -0.246 -1.773 707 HG2 LYS 87 HG2 LYS 87 11.354 -1.623 -3.400 708 HG3 LYS 87 HG1 LYS 87 10.310 -0.411 -4.133 709 HD2 LYS 87 HD2 LYS 87 12.399 -0.418 -5.301 710 HD3 LYS 87 HD1 LYS 87 12.302 1.070 -4.362 711 HE2 LYS 87 HE2 LYS 87 13.752 0.122 -2.664 712 HE3 LYS 87 HE1 LYS 87 13.794 -1.415 -3.525 713 HZ1 LYS 87 HZ1 LYS 87 14.895 -0.332 -5.365 714 HZ2 LYS 87 HZ2 LYS 87 15.773 -0.070 -3.942 715 HZ3 LYS 87 HZ3 LYS 87 14.814 1.164 -4.584 716 H ARG 88 HN ARG 88 9.056 3.105 -2.642 717 HA ARG 88 HA ARG 88 7.611 2.745 -0.232 718 HB2 ARG 88 HB2 ARG 88 7.735 5.176 0.443 719 HB3 ARG 88 HB1 ARG 88 9.130 4.182 0.790 720 HG2 ARG 88 HG2 ARG 88 9.024 5.907 -1.662 721 HG3 ARG 88 HG1 ARG 88 9.513 6.554 -0.096 722 HD2 ARG 88 HD2 ARG 88 11.172 4.580 -0.054 723 HD3 ARG 88 HD1 ARG 88 10.855 4.471 -1.782 724 HE ARG 88 HE ARG 88 12.305 6.568 -0.384 725 HH11 ARG 88 HH11 ARG 88 10.849 5.519 -3.399 726 HH12 ARG 88 HH12 ARG 88 11.806 6.581 -4.373 727 HH21 ARG 88 HH21 ARG 88 13.581 7.933 -1.663 728 HH22 ARG 88 HH22 ARG 88 13.373 7.956 -3.385 729 H TYR 89 HN TYR 89 5.395 2.883 -0.763 730 HA TYR 89 HA TYR 89 4.622 4.965 -2.678 731 HB2 TYR 89 HB2 TYR 89 3.902 2.169 -3.472 732 HB3 TYR 89 HB1 TYR 89 3.806 3.630 -4.432 733 HD1 TYR 89 HD1 TYR 89 5.850 4.564 -5.459 734 HD2 TYR 89 HD2 TYR 89 5.916 0.879 -3.337 735 HE1 TYR 89 HE1 TYR 89 8.024 4.027 -6.471 736 HE2 TYR 89 HE2 TYR 89 8.091 0.333 -4.340 737 HH TYR 89 HH TYR 89 10.004 2.603 -5.922 738 H GLU 90 HN GLU 90 2.999 5.798 -1.479 739 HA GLU 90 HA GLU 90 1.490 4.123 0.343 740 HB2 GLU 90 HB2 GLU 90 2.271 6.027 1.400 741 HB3 GLU 90 HB1 GLU 90 2.096 7.032 -0.018 742 HG2 GLU 90 HG2 GLU 90 -0.379 6.930 0.339 743 HG3 GLU 90 HG1 GLU 90 -0.047 6.146 1.877 744 H LEU 91 HN LEU 91 -0.604 3.578 0.024 745 HA LEU 91 HA LEU 91 -2.187 5.200 -1.858 746 HB2 LEU 91 HB2 LEU 91 -2.507 2.216 -1.487 747 HB3 LEU 91 HB1 LEU 91 -3.488 3.242 -2.488 748 HG LEU 91 HG LEU 91 -2.025 2.051 -3.915 749 HD11 LEU 91 HD11 LEU 91 -0.960 4.826 -3.575 750 HD12 LEU 91 HD12 LEU 91 -2.379 4.358 -4.515 751 HD13 LEU 91 HD13 LEU 91 -0.775 3.808 -5.002 752 HD21 LEU 91 HD21 LEU 91 -0.342 1.383 -2.313 753 HD22 LEU 91 HD22 LEU 91 0.256 3.040 -2.235 754 HD23 LEU 91 HD23 LEU 91 0.394 2.122 -3.733 755 H SER 92 HN SER 92 -4.304 5.543 -1.293 756 HA SER 92 HA SER 92 -5.280 4.212 1.109 757 HB2 SER 92 HB2 SER 92 -6.348 6.424 1.788 758 HB3 SER 92 HB1 SER 92 -4.603 6.316 2.007 759 HG SER 92 HG SER 92 -4.693 8.138 0.956 760 H ALA 93 HN ALA 93 -7.235 3.504 0.972 761 HA ALA 93 HA ALA 93 -8.541 3.740 -1.569 762 HB1 ALA 93 HB1 ALA 93 -8.330 1.669 -0.150 763 HB2 ALA 93 HB2 ALA 93 -9.908 2.021 -0.873 764 HB3 ALA 93 HB3 ALA 93 -9.621 2.359 0.845 765 H ARG 94 HN ARG 94 -9.606 5.510 -1.943 766 HA ARG 94 HA ARG 94 -10.918 6.829 0.365 767 HB2 ARG 94 HB2 ARG 94 -9.338 8.181 -1.834 768 HB3 ARG 94 HB1 ARG 94 -10.232 9.007 -0.568 769 HG2 ARG 94 HG2 ARG 94 -8.751 7.908 1.100 770 HG3 ARG 94 HG1 ARG 94 -7.804 7.267 -0.241 771 HD2 ARG 94 HD2 ARG 94 -6.759 9.275 0.588 772 HD3 ARG 94 HD1 ARG 94 -7.406 9.569 -1.024 773 HE ARG 94 HE ARG 94 -9.124 10.327 1.191 774 HH11 ARG 94 HH11 ARG 94 -6.743 11.343 -1.158 775 HH12 ARG 94 HH12 ARG 94 -7.147 13.022 -1.035 776 HH21 ARG 94 HH21 ARG 94 -9.651 12.537 1.375 777 HH22 ARG 94 HH22 ARG 94 -8.808 13.704 0.403 778 H MET 95 HN MET 95 -12.414 8.053 0.152 779 HA MET 95 HA MET 95 -14.686 7.880 -0.670 780 HB2 MET 95 HB2 MET 95 -13.357 10.430 -1.568 781 HB3 MET 95 HB1 MET 95 -14.985 10.231 -0.931 782 HG2 MET 95 HG2 MET 95 -14.072 9.626 1.247 783 HG3 MET 95 HG1 MET 95 -12.421 9.797 0.640 784 HE1 MET 95 HE1 MET 95 -11.344 12.085 -0.073 785 HE2 MET 95 HE2 MET 95 -12.190 13.631 -0.063 786 HE3 MET 95 HE3 MET 95 -12.653 12.382 -1.216 787 H ASP 96 HN ASP 96 -12.623 9.354 -3.230 788 HA ASP 96 HA ASP 96 -14.618 8.575 -5.212 789 HB2 ASP 96 HB2 ASP 96 -13.714 10.866 -5.296 790 HB3 ASP 96 HB1 ASP 96 -12.097 10.216 -5.550 791 H ALA 97 HN ALA 97 -11.060 8.341 -4.954 792 HA ALA 97 HA ALA 97 -11.221 5.635 -6.053 793 HB1 ALA 97 HB1 ALA 97 -9.186 6.182 -7.522 794 HB2 ALA 97 HB2 ALA 97 -9.659 7.879 -7.301 795 HB3 ALA 97 HB3 ALA 97 -10.776 6.752 -8.068 796 H ILE 98 HN ILE 98 -8.884 4.780 -6.162 797 HA ILE 98 HA ILE 98 -7.813 4.891 -3.518 798 HB ILE 98 HB ILE 98 -7.053 3.397 -6.025 799 HG12 ILE 98 HG12 ILE 98 -9.063 3.001 -4.272 800 HG13 ILE 98 HG11 ILE 98 -8.260 1.671 -5.093 801 HG21 ILE 98 HG21 ILE 98 -4.970 3.894 -4.789 802 HG22 ILE 98 HG22 ILE 98 -5.371 2.182 -4.679 803 HG23 ILE 98 HG23 ILE 98 -5.676 3.246 -3.307 804 HD11 ILE 98 HD11 ILE 98 -7.004 1.163 -3.187 805 HD12 ILE 98 HD12 ILE 98 -8.643 1.484 -2.612 806 HD13 ILE 98 HD13 ILE 98 -7.388 2.721 -2.440 807 H TYR 99 HN TYR 99 -6.566 6.329 -2.845 808 HA TYR 99 HA TYR 99 -5.373 8.355 -4.434 809 HB2 TYR 99 HB2 TYR 99 -6.012 9.041 -2.323 810 HB3 TYR 99 HB1 TYR 99 -5.478 7.565 -1.558 811 HD1 TYR 99 HD1 TYR 99 -2.820 7.300 -1.470 812 HD2 TYR 99 HD2 TYR 99 -4.896 10.984 -1.905 813 HE1 TYR 99 HE1 TYR 99 -0.913 8.485 -0.487 814 HE2 TYR 99 HE2 TYR 99 -2.983 12.177 -0.930 815 HH TYR 99 HH TYR 99 -0.027 10.420 0.037 816 H PHE 100 HN PHE 100 -3.589 8.166 -5.591 817 HA PHE 100 HA PHE 100 -1.630 6.125 -4.795 818 HB2 PHE 100 HB2 PHE 100 -2.803 5.766 -6.986 819 HB3 PHE 100 HB1 PHE 100 -2.116 7.279 -7.556 820 HD1 PHE 100 HD1 PHE 100 0.331 7.465 -7.897 821 HD2 PHE 100 HD2 PHE 100 -1.538 3.761 -6.967 822 HE1 PHE 100 HE1 PHE 100 2.333 6.266 -8.673 823 HE2 PHE 100 HE2 PHE 100 0.457 2.556 -7.739 824 HZ PHE 100 HZ PHE 100 2.371 3.784 -8.628 825 H LYS 101 HN LYS 101 0.356 6.820 -4.248 826 HA LYS 101 HA LYS 101 1.147 9.468 -5.168 827 HB2 LYS 101 HB2 LYS 101 0.174 9.981 -3.118 828 HB3 LYS 101 HB1 LYS 101 0.923 8.620 -2.299 829 HG2 LYS 101 HG2 LYS 101 2.036 10.579 -1.587 830 HG3 LYS 101 HG1 LYS 101 3.130 9.745 -2.687 831 HD2 LYS 101 HD2 LYS 101 2.404 11.261 -4.500 832 HD3 LYS 101 HD1 LYS 101 1.396 12.125 -3.338 833 HE2 LYS 101 HE2 LYS 101 4.393 11.838 -3.254 834 HE3 LYS 101 HE1 LYS 101 3.491 13.297 -3.653 835 HZ1 LYS 101 HZ1 LYS 101 2.611 13.335 -1.415 836 HZ2 LYS 101 HZ2 LYS 101 4.300 13.308 -1.365 837 HZ3 LYS 101 HZ3 LYS 101 3.423 11.904 -1.029 838 H MET 102 HN MET 102 2.868 9.272 -6.140 839 HA MET 102 HA MET 102 5.254 8.943 -4.660 840 HB2 MET 102 HB2 MET 102 6.369 7.274 -6.123 841 HB3 MET 102 HB1 MET 102 5.029 6.561 -5.239 842 HG2 MET 102 HG2 MET 102 3.662 6.513 -7.173 843 HG3 MET 102 HG1 MET 102 4.784 7.529 -8.075 844 HE1 MET 102 HE1 MET 102 5.049 6.042 -10.153 845 HE2 MET 102 HE2 MET 102 3.759 5.022 -9.517 846 HE3 MET 102 HE3 MET 102 5.251 4.291 -10.103 847 H ASP 103 HN ASP 103 5.222 11.116 -5.256 848 HA ASP 103 HA ASP 103 5.341 11.666 -8.136 849 HB2 ASP 103 HB2 ASP 103 3.631 13.068 -6.087 850 HB3 ASP 103 HB1 ASP 103 3.895 13.654 -7.724 851 H GLU 104 HN GLU 104 5.795 14.046 -8.499 852 HA GLU 104 HA GLU 104 7.910 15.035 -6.752 853 HB2 GLU 104 HB2 GLU 104 8.360 15.088 -9.125 854 HB3 GLU 104 HB1 GLU 104 6.847 15.917 -9.417 855 HG2 GLU 104 HG2 GLU 104 7.845 17.772 -7.919 856 HG3 GLU 104 HG1 GLU 104 9.383 16.980 -8.266 857 H ARG 105 HN ARG 105 4.613 15.353 -7.464 858 HA ARG 105 HA ARG 105 4.360 17.919 -6.048 859 HB2 ARG 105 HB2 ARG 105 2.787 17.061 -8.492 860 HB3 ARG 105 HB1 ARG 105 2.757 18.637 -7.713 861 HG2 ARG 105 HG2 ARG 105 4.992 19.101 -8.395 862 HG3 ARG 105 HG1 ARG 105 5.197 17.460 -9.007 863 HD2 ARG 105 HD2 ARG 105 3.363 17.924 -10.631 864 HD3 ARG 105 HD1 ARG 105 3.379 19.602 -10.086 865 HE ARG 105 HE ARG 105 5.954 19.202 -10.743 866 HH11 ARG 105 HH11 ARG 105 2.973 18.510 -12.453 867 HH12 ARG 105 HH12 ARG 105 3.679 18.722 -14.024 868 HH21 ARG 105 HH21 ARG 105 6.873 19.490 -12.803 869 HH22 ARG 105 HH22 ARG 105 5.894 19.281 -14.222 870 HA PRO 106 HA PRO 106 0.720 16.374 -3.825 871 HB2 PRO 106 HB2 PRO 106 -1.184 17.419 -5.888 872 HB3 PRO 106 HB1 PRO 106 -1.259 17.541 -4.124 873 HG2 PRO 106 HG2 PRO 106 -0.480 19.631 -5.520 874 HG3 PRO 106 HG1 PRO 106 0.404 19.188 -4.045 875 HD2 PRO 106 HD2 PRO 106 1.138 18.740 -6.906 876 HD3 PRO 106 HD1 PRO 106 2.173 19.213 -5.543 877 HA PRO 107 HA PRO 107 -0.086 12.354 -5.436 878 HB2 PRO 107 HB2 PRO 107 -2.244 11.709 -3.870 879 HB3 PRO 107 HB1 PRO 107 -0.570 11.702 -3.303 880 HG2 PRO 107 HG2 PRO 107 -2.656 13.827 -2.995 881 HG3 PRO 107 HG1 PRO 107 -1.522 13.191 -1.788 882 HD2 PRO 107 HD2 PRO 107 -1.062 15.508 -3.017 883 HD3 PRO 107 HD1 PRO 107 0.267 14.386 -2.660 884 H GLN 108 HN GLN 108 -1.718 11.020 -6.487 885 HA GLN 108 HA GLN 108 -4.060 12.494 -7.464 886 HB2 GLN 108 HB2 GLN 108 -2.238 10.861 -9.235 887 HB3 GLN 108 HB1 GLN 108 -3.710 11.695 -9.728 888 HG2 GLN 108 HG2 GLN 108 -2.670 13.839 -9.236 889 HG3 GLN 108 HG1 GLN 108 -1.209 13.020 -8.686 890 HE21 GLN 108 HE21 GLN 108 -1.491 14.963 -10.799 891 HE22 GLN 108 HE22 GLN 108 -0.951 14.196 -12.252 892 HA PRO 109 HA PRO 109 -6.246 8.607 -6.615 893 HB2 PRO 109 HB2 PRO 109 -8.035 10.048 -8.509 894 HB3 PRO 109 HB1 PRO 109 -8.440 9.241 -6.989 895 HG2 PRO 109 HG2 PRO 109 -8.352 11.875 -7.076 896 HG3 PRO 109 HG1 PRO 109 -7.635 11.019 -5.697 897 HD2 PRO 109 HD2 PRO 109 -6.290 12.263 -8.065 898 HD3 PRO 109 HD1 PRO 109 -5.803 12.273 -6.356 899 H LEU 110 HN LEU 110 -5.174 7.017 -7.787 900 HA LEU 110 HA LEU 110 -5.319 7.210 -10.726 901 HB2 LEU 110 HB2 LEU 110 -3.101 7.834 -9.712 902 HB3 LEU 110 HB1 LEU 110 -2.981 6.176 -9.157 903 HG LEU 110 HG LEU 110 -3.091 5.436 -11.543 904 HD11 LEU 110 HD11 LEU 110 -2.659 7.088 -13.285 905 HD12 LEU 110 HD12 LEU 110 -2.777 8.382 -12.092 906 HD13 LEU 110 HD13 LEU 110 -4.192 7.400 -12.472 907 HD21 LEU 110 HD21 LEU 110 -0.972 5.603 -10.363 908 HD22 LEU 110 HD22 LEU 110 -0.846 7.304 -10.807 909 HD23 LEU 110 HD23 LEU 110 -0.784 6.061 -12.056 910 H ASN 111 HN ASN 111 -6.382 5.475 -8.231 911 HA ASN 111 HA ASN 111 -6.575 3.042 -9.819 912 HB2 ASN 111 HB2 ASN 111 -5.233 3.193 -7.121 913 HB3 ASN 111 HB1 ASN 111 -6.141 1.744 -7.540 914 HD21 ASN 111 HD21 ASN 111 -3.303 3.619 -8.110 915 HD22 ASN 111 HD22 ASN 111 -2.488 2.469 -9.109 916 H LYS 112 HN LYS 112 -8.325 1.621 -8.673 917 HA LYS 112 HA LYS 112 -9.901 3.302 -6.895 918 HB2 LYS 112 HB2 LYS 112 -10.711 3.482 -9.307 919 HB3 LYS 112 HB1 LYS 112 -11.285 1.845 -9.087 920 HG2 LYS 112 HG2 LYS 112 -12.547 2.679 -7.079 921 HG3 LYS 112 HG1 LYS 112 -12.139 4.309 -7.615 922 HD2 LYS 112 HD2 LYS 112 -14.290 3.873 -8.474 923 HD3 LYS 112 HD1 LYS 112 -13.186 3.688 -9.838 924 HE2 LYS 112 HE2 LYS 112 -13.221 1.268 -9.552 925 HE3 LYS 112 HE1 LYS 112 -14.289 1.436 -8.160 926 HZ1 LYS 112 HZ1 LYS 112 -15.579 0.872 -10.075 927 HZ2 LYS 112 HZ2 LYS 112 -14.913 2.150 -10.969 928 HZ3 LYS 112 HZ3 LYS 112 -15.924 2.476 -9.655 929 H TRP 113 HN TRP 113 -11.264 2.263 -5.623 930 HA TRP 113 HA TRP 113 -10.574 -0.453 -4.980 931 HB2 TRP 113 HB2 TRP 113 -12.215 0.070 -3.053 932 HB3 TRP 113 HB1 TRP 113 -10.665 0.942 -3.085 933 HD1 TRP 113 HD1 TRP 113 -10.770 3.557 -3.678 934 HE1 TRP 113 HE1 TRP 113 -12.680 5.274 -3.687 935 HE3 TRP 113 HE3 TRP 113 -14.734 0.352 -3.406 936 HZ2 TRP 113 HZ2 TRP 113 -15.498 5.270 -3.592 937 HZ3 TRP 113 HZ3 TRP 113 -17.009 1.286 -3.369 938 HH2 TRP 113 HH2 TRP 113 -17.382 3.699 -3.457 939 H ARG 114 HN ARG 114 -11.855 -2.159 -5.228 940 HA ARG 114 HA ARG 114 -13.233 -3.526 -6.354 941 HB2 ARG 114 HB2 ARG 114 -15.536 -3.416 -5.864 942 HB3 ARG 114 HB1 ARG 114 -14.675 -2.810 -4.463 943 HG2 ARG 114 HG2 ARG 114 -15.460 -0.674 -4.736 944 HG3 ARG 114 HG1 ARG 114 -15.705 -0.867 -6.469 945 HD2 ARG 114 HD2 ARG 114 -17.335 -2.350 -4.424 946 HD3 ARG 114 HD1 ARG 114 -17.792 -0.758 -5.026 947 HE ARG 114 HE ARG 114 -17.663 -1.896 -7.314 948 HH11 ARG 114 HH11 ARG 114 -18.636 -3.572 -4.384 949 HH12 ARG 114 HH12 ARG 114 -19.659 -4.687 -5.226 950 HH21 ARG 114 HH21 ARG 114 -18.995 -3.343 -8.402 951 HH22 ARG 114 HH22 ARG 114 -19.883 -4.548 -7.520 952 H SER 115 HN SER 115 -15.485 -3.328 -7.775 953 HA SER 115 HA SER 115 -14.566 -1.854 -10.132 954 HB2 SER 115 HB2 SER 115 -14.703 -4.365 -10.261 955 HB3 SER 115 HB1 SER 115 -16.439 -4.193 -10.070 956 HG SER 115 HG SER 115 -16.130 -4.253 -12.224 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 19.486 2.331 -2.222 2 H2 ALA 1 HT2 ALA 1 20.808 2.541 -3.249 3 H3 ALA 1 HT3 ALA 1 19.301 3.179 -3.672 4 HA ALA 1 HA ALA 1 20.815 4.889 -2.871 5 HB1 ALA 1 HB1 ALA 1 18.516 4.369 -0.987 6 HB2 ALA 1 HB2 ALA 1 18.360 5.095 -2.587 7 HB3 ALA 1 HB3 ALA 1 19.273 5.926 -1.325 8 H MET 2 HN MET 2 21.890 5.824 -0.993 9 HA MET 2 HA MET 2 23.141 3.754 0.612 10 HB2 MET 2 HB2 MET 2 24.706 5.476 1.322 11 HB3 MET 2 HB1 MET 2 24.546 5.492 -0.428 12 HG2 MET 2 HG2 MET 2 23.028 7.414 -0.254 13 HG3 MET 2 HG1 MET 2 23.245 7.410 1.494 14 HE1 MET 2 HE1 MET 2 25.586 7.905 2.690 15 HE2 MET 2 HE2 MET 2 27.068 8.284 1.813 16 HE3 MET 2 HE3 MET 2 26.371 6.667 1.710 17 H GLY 3 HN GLY 3 22.948 3.493 2.787 18 HA2 GLY 3 HA2 GLY 3 22.015 3.630 4.879 19 HA3 GLY 3 HA1 GLY 3 21.820 5.348 4.581 20 H CYS 4 HN CYS 4 20.359 2.195 3.910 21 HA CYS 4 HA CYS 4 17.898 3.598 3.328 22 HB2 CYS 4 HB2 CYS 4 18.720 0.744 2.838 23 HB3 CYS 4 HB1 CYS 4 17.079 1.320 2.572 24 H LYS 5 HN LYS 5 15.988 3.266 4.335 25 HA LYS 5 HA LYS 5 16.200 2.360 7.080 26 HB2 LYS 5 HB2 LYS 5 14.033 3.765 5.683 27 HB3 LYS 5 HB1 LYS 5 14.051 3.432 7.396 28 HG2 LYS 5 HG2 LYS 5 16.183 4.791 7.493 29 HG3 LYS 5 HG1 LYS 5 15.809 5.308 5.846 30 HD2 LYS 5 HD2 LYS 5 13.646 6.177 6.632 31 HD3 LYS 5 HD1 LYS 5 14.063 5.696 8.275 32 HE2 LYS 5 HE2 LYS 5 15.609 7.660 6.591 33 HE3 LYS 5 HE1 LYS 5 14.460 8.093 7.855 34 HZ1 LYS 5 HZ1 LYS 5 16.680 8.186 8.720 35 HZ2 LYS 5 HZ2 LYS 5 17.006 6.606 8.217 36 HZ3 LYS 5 HZ3 LYS 5 15.874 6.887 9.442 37 H GLU 6 HN GLU 6 14.286 1.292 8.040 38 HA GLU 6 HA GLU 6 13.303 -0.912 6.548 39 HB2 GLU 6 HB2 GLU 6 13.572 -1.176 8.893 40 HB3 GLU 6 HB1 GLU 6 12.704 0.314 9.236 41 HG2 GLU 6 HG2 GLU 6 10.666 -0.690 8.396 42 HG3 GLU 6 HG1 GLU 6 11.534 -2.196 8.102 43 H ILE 7 HN ILE 7 11.704 -0.739 5.088 44 HA ILE 7 HA ILE 7 10.441 1.820 4.792 45 HB ILE 7 HB ILE 7 10.214 -0.708 3.216 46 HG12 ILE 7 HG12 ILE 7 12.254 0.111 2.700 47 HG13 ILE 7 HG11 ILE 7 11.281 0.870 1.477 48 HG21 ILE 7 HG21 ILE 7 8.764 1.851 2.949 49 HG22 ILE 7 HG22 ILE 7 8.217 0.175 2.651 50 HG23 ILE 7 HG23 ILE 7 9.294 0.974 1.496 51 HD11 ILE 7 HD11 ILE 7 11.129 2.839 3.011 52 HD12 ILE 7 HD12 ILE 7 12.693 2.537 2.263 53 HD13 ILE 7 HD13 ILE 7 12.419 2.093 3.955 54 H GLU 8 HN GLU 8 8.147 2.221 4.713 55 HA GLU 8 HA GLU 8 6.654 0.378 6.449 56 HB2 GLU 8 HB2 GLU 8 6.856 3.376 6.759 57 HB3 GLU 8 HB1 GLU 8 5.708 2.365 7.622 58 HG2 GLU 8 HG2 GLU 8 7.576 1.130 8.630 59 HG3 GLU 8 HG1 GLU 8 8.708 2.195 7.803 60 H ILE 9 HN ILE 9 5.019 -0.321 5.372 61 HA ILE 9 HA ILE 9 4.037 1.029 3.003 62 HB ILE 9 HB ILE 9 2.893 -1.522 3.956 63 HG12 ILE 9 HG12 ILE 9 5.771 -1.042 3.321 64 HG13 ILE 9 HG11 ILE 9 5.040 -2.082 4.523 65 HG21 ILE 9 HG21 ILE 9 3.191 -2.141 1.601 66 HG22 ILE 9 HG22 ILE 9 3.907 -0.558 1.290 67 HG23 ILE 9 HG23 ILE 9 2.216 -0.679 1.794 68 HD11 ILE 9 HD11 ILE 9 6.147 -3.287 2.720 69 HD12 ILE 9 HD12 ILE 9 4.967 -2.597 1.605 70 HD13 ILE 9 HD13 ILE 9 4.435 -3.680 2.893 71 H VAL 10 HN VAL 10 2.335 2.526 3.217 72 HA VAL 10 HA VAL 10 0.576 1.976 5.524 73 HB VAL 10 HB VAL 10 1.167 4.121 5.927 74 HG11 VAL 10 HG11 VAL 10 1.291 5.830 3.940 75 HG12 VAL 10 HG12 VAL 10 1.527 4.360 2.992 76 HG13 VAL 10 HG13 VAL 10 2.635 4.748 4.302 77 HG21 VAL 10 HG21 VAL 10 -1.254 4.122 5.786 78 HG22 VAL 10 HG22 VAL 10 -1.185 4.466 4.054 79 HG23 VAL 10 HG23 VAL 10 -0.627 5.671 5.215 80 H ILE 11 HN ILE 11 -1.240 1.061 5.204 81 HA ILE 11 HA ILE 11 -2.663 1.461 2.677 82 HB ILE 11 HB ILE 11 -3.376 -0.431 4.914 83 HG12 ILE 11 HG12 ILE 11 -1.168 -0.997 4.102 84 HG13 ILE 11 HG11 ILE 11 -2.342 -2.197 3.552 85 HG21 ILE 11 HG21 ILE 11 -4.218 -0.369 2.023 86 HG22 ILE 11 HG22 ILE 11 -5.214 0.106 3.401 87 HG23 ILE 11 HG23 ILE 11 -4.710 -1.573 3.216 88 HD11 ILE 11 HD11 ILE 11 -1.476 0.142 1.930 89 HD12 ILE 11 HD12 ILE 11 -2.403 -1.260 1.405 90 HD13 ILE 11 HD13 ILE 11 -0.703 -1.442 1.847 91 H LYS 12 HN LYS 12 -4.197 2.854 2.617 92 HA LYS 12 HA LYS 12 -5.491 3.732 5.137 93 HB2 LYS 12 HB2 LYS 12 -3.958 5.220 3.283 94 HB3 LYS 12 HB1 LYS 12 -5.644 5.663 2.966 95 HG2 LYS 12 HG2 LYS 12 -4.087 5.974 5.502 96 HG3 LYS 12 HG1 LYS 12 -4.760 7.233 4.477 97 HD2 LYS 12 HD2 LYS 12 -7.029 6.377 5.045 98 HD3 LYS 12 HD1 LYS 12 -6.263 5.306 6.223 99 HE2 LYS 12 HE2 LYS 12 -5.177 7.379 7.191 100 HE3 LYS 12 HE1 LYS 12 -6.279 8.312 6.182 101 HZ1 LYS 12 HZ1 LYS 12 -8.132 7.382 7.311 102 HZ2 LYS 12 HZ2 LYS 12 -7.057 7.955 8.481 103 HZ3 LYS 12 HZ3 LYS 12 -7.154 6.295 8.165 104 H ASN 13 HN ASN 13 -7.732 4.029 4.998 105 HA ASN 13 HA ASN 13 -9.050 4.088 2.428 106 HB2 ASN 13 HB2 ASN 13 -9.078 1.681 2.917 107 HB3 ASN 13 HB1 ASN 13 -9.786 2.002 4.497 108 HD21 ASN 13 HD21 ASN 13 -11.544 0.716 3.975 109 HD22 ASN 13 HD22 ASN 13 -12.795 1.257 2.914 110 H THR 14 HN THR 14 -10.425 5.756 2.553 111 HA THR 14 HA THR 14 -11.559 6.430 5.081 112 HB THR 14 HB THR 14 -9.556 7.339 5.675 113 HG1 THR 14 HG1 THR 14 -10.765 9.511 4.267 114 HG21 THR 14 HG21 THR 14 -9.249 8.277 2.856 115 HG22 THR 14 HG22 THR 14 -8.490 6.865 3.584 116 HG23 THR 14 HG23 THR 14 -8.068 8.483 4.151 117 H LEU 15 HN LEU 15 -13.531 6.349 3.909 118 HA LEU 15 HA LEU 15 -14.058 8.789 2.464 119 HB2 LEU 15 HB2 LEU 15 -15.879 6.456 2.979 120 HB3 LEU 15 HB1 LEU 15 -16.189 7.800 1.943 121 HG LEU 15 HG LEU 15 -14.723 7.045 0.305 122 HD11 LEU 15 HD11 LEU 15 -12.901 6.477 1.718 123 HD12 LEU 15 HD12 LEU 15 -13.212 5.232 0.483 124 HD13 LEU 15 HD13 LEU 15 -13.713 4.959 2.189 125 HD21 LEU 15 HD21 LEU 15 -16.010 4.548 1.350 126 HD22 LEU 15 HD22 LEU 15 -15.812 5.040 -0.330 127 HD23 LEU 15 HD23 LEU 15 -16.954 5.883 0.704 128 H GLY 16 HN GLY 16 -14.828 6.890 5.261 129 HA2 GLY 16 HA2 GLY 16 -15.649 8.637 7.113 130 HA3 GLY 16 HA1 GLY 16 -17.092 8.464 6.105 131 HA PRO 17 HA PRO 17 -17.085 5.493 9.682 132 HB2 PRO 17 HB2 PRO 17 -19.972 5.444 8.948 133 HB3 PRO 17 HB1 PRO 17 -19.216 5.588 10.538 134 HG2 PRO 17 HG2 PRO 17 -20.294 7.712 9.351 135 HG3 PRO 17 HG1 PRO 17 -18.789 7.851 10.277 136 HD2 PRO 17 HD2 PRO 17 -19.202 7.810 7.321 137 HD3 PRO 17 HD1 PRO 17 -18.027 8.728 8.284 138 H SER 18 HN SER 18 -16.597 3.442 9.475 139 HA SER 18 HA SER 18 -16.680 1.239 8.967 140 HB2 SER 18 HB2 SER 18 -19.214 1.852 7.434 141 HB3 SER 18 HB1 SER 18 -18.676 0.271 7.996 142 HG SER 18 HG SER 18 -18.742 2.040 10.038 143 H ARG 19 HN ARG 19 -15.278 3.146 7.261 144 HA ARG 19 HA ARG 19 -15.392 1.824 4.669 145 HB2 ARG 19 HB2 ARG 19 -14.137 4.310 5.669 146 HB3 ARG 19 HB1 ARG 19 -13.245 3.456 4.439 147 HG2 ARG 19 HG2 ARG 19 -14.707 5.226 3.590 148 HG3 ARG 19 HG1 ARG 19 -15.058 3.633 2.915 149 HD2 ARG 19 HD2 ARG 19 -16.575 4.622 5.300 150 HD3 ARG 19 HD1 ARG 19 -17.004 5.194 3.694 151 HE ARG 19 HE ARG 19 -16.864 2.329 3.897 152 HH11 ARG 19 HH11 ARG 19 -18.877 5.159 4.292 153 HH12 ARG 19 HH12 ARG 19 -20.366 4.282 4.142 154 HH21 ARG 19 HH21 ARG 19 -18.822 1.163 3.699 155 HH22 ARG 19 HH22 ARG 19 -20.335 2.005 3.804 156 H ILE 20 HN ILE 20 -14.517 -0.083 4.599 157 HA ILE 20 HA ILE 20 -11.933 -0.568 5.927 158 HB ILE 20 HB ILE 20 -13.953 -2.760 5.738 159 HG12 ILE 20 HG12 ILE 20 -15.022 -0.896 6.910 160 HG13 ILE 20 HG11 ILE 20 -14.829 -2.315 7.909 161 HG21 ILE 20 HG21 ILE 20 -11.762 -2.204 7.673 162 HG22 ILE 20 HG22 ILE 20 -11.638 -3.284 6.284 163 HG23 ILE 20 HG23 ILE 20 -12.748 -3.658 7.609 164 HD11 ILE 20 HD11 ILE 20 -12.935 -1.299 8.974 165 HD12 ILE 20 HD12 ILE 20 -14.346 -0.235 9.084 166 HD13 ILE 20 HD13 ILE 20 -13.069 0.095 7.912 167 H LEU 21 HN LEU 21 -10.444 -1.254 4.482 168 HA LEU 21 HA LEU 21 -11.330 -3.135 2.391 169 HB2 LEU 21 HB2 LEU 21 -9.719 -0.680 2.039 170 HB3 LEU 21 HB1 LEU 21 -9.037 -2.127 1.275 171 HG LEU 21 HG LEU 21 -10.328 -0.923 -0.341 172 HD11 LEU 21 HD11 LEU 21 -11.915 -3.329 0.524 173 HD12 LEU 21 HD12 LEU 21 -10.402 -3.394 -0.375 174 HD13 LEU 21 HD13 LEU 21 -11.823 -2.639 -1.096 175 HD21 LEU 21 HD21 LEU 21 -12.735 -0.567 -0.086 176 HD22 LEU 21 HD22 LEU 21 -11.793 0.337 1.099 177 HD23 LEU 21 HD23 LEU 21 -12.632 -1.139 1.578 178 H GLN 22 HN GLN 22 -10.150 -4.995 2.265 179 HA GLN 22 HA GLN 22 -8.048 -5.272 4.259 180 HB2 GLN 22 HB2 GLN 22 -9.908 -6.823 4.454 181 HB3 GLN 22 HB1 GLN 22 -9.696 -7.322 2.782 182 HG2 GLN 22 HG2 GLN 22 -7.577 -8.268 3.280 183 HG3 GLN 22 HG1 GLN 22 -7.641 -7.683 4.939 184 HE21 GLN 22 HE21 GLN 22 -10.416 -8.969 3.283 185 HE22 GLN 22 HE22 GLN 22 -10.548 -10.422 4.206 186 H TYR 23 HN TYR 23 -6.027 -5.162 3.586 187 HA TYR 23 HA TYR 23 -5.475 -5.541 0.743 188 HB2 TYR 23 HB2 TYR 23 -3.389 -4.341 1.148 189 HB3 TYR 23 HB1 TYR 23 -4.764 -3.400 1.717 190 HD1 TYR 23 HD1 TYR 23 -5.234 -3.269 4.138 191 HD2 TYR 23 HD2 TYR 23 -1.728 -5.127 2.655 192 HE1 TYR 23 HE1 TYR 23 -4.230 -3.129 6.382 193 HE2 TYR 23 HE2 TYR 23 -0.701 -5.002 4.890 194 HH TYR 23 HH TYR 23 -2.465 -4.303 7.680 195 H HIS 24 HN HIS 24 -4.232 -7.129 -0.010 196 HA HIS 24 HA HIS 24 -2.681 -8.738 1.914 197 HB2 HIS 24 HB2 HIS 24 -4.463 -10.005 0.741 198 HB3 HIS 24 HB1 HIS 24 -3.743 -9.561 -0.799 199 HD1 HIS 24 HD1 HIS 24 -1.112 -10.260 1.572 200 HD2 HIS 24 HD2 HIS 24 -3.577 -12.529 -0.900 201 HE1 HIS 24 HE1 HIS 24 -0.006 -12.515 1.387 202 HE2 HIS 24 HE2 HIS 24 -1.607 -13.916 0.035 203 H CYS 25 HN CYS 25 -0.683 -7.751 1.831 204 HA CYS 25 HA CYS 25 0.286 -6.981 -0.768 205 HB2 CYS 25 HB2 CYS 25 0.509 -5.779 1.672 206 HB3 CYS 25 HB1 CYS 25 2.101 -6.504 1.461 207 H ARG 26 HN ARG 26 1.355 -8.178 -1.993 208 HA ARG 26 HA ARG 26 3.601 -9.720 -1.139 209 HB2 ARG 26 HB2 ARG 26 2.775 -11.859 -2.166 210 HB3 ARG 26 HB1 ARG 26 2.071 -11.428 -0.615 211 HG2 ARG 26 HG2 ARG 26 0.020 -10.814 -1.609 212 HG3 ARG 26 HG1 ARG 26 0.718 -10.813 -3.229 213 HD2 ARG 26 HD2 ARG 26 0.527 -13.278 -1.508 214 HD3 ARG 26 HD1 ARG 26 -0.721 -12.804 -2.659 215 HE ARG 26 HE ARG 26 1.291 -12.853 -4.299 216 HH11 ARG 26 HH11 ARG 26 0.712 -15.096 -1.662 217 HH12 ARG 26 HH12 ARG 26 1.506 -16.418 -2.455 218 HH21 ARG 26 HH21 ARG 26 2.320 -14.599 -5.338 219 HH22 ARG 26 HH22 ARG 26 2.438 -16.130 -4.530 220 H SER 27 HN SER 27 4.843 -8.564 -2.575 221 HA SER 27 HA SER 27 5.414 -9.779 -5.008 222 HB2 SER 27 HB2 SER 27 3.924 -7.196 -5.421 223 HB3 SER 27 HB1 SER 27 5.045 -7.855 -6.600 224 HG SER 27 HG SER 27 2.893 -9.390 -5.601 225 H GLY 28 HN GLY 28 7.609 -9.579 -4.486 226 HA2 GLY 28 HA2 GLY 28 9.302 -7.713 -4.968 227 HA3 GLY 28 HA1 GLY 28 8.443 -6.880 -3.688 228 H ASN 29 HN ASN 29 8.727 -7.575 -1.495 229 HA ASN 29 HA ASN 29 11.363 -8.857 -1.292 230 HB2 ASN 29 HB2 ASN 29 11.404 -6.388 -1.116 231 HB3 ASN 29 HB1 ASN 29 10.417 -6.508 0.337 232 HD21 ASN 29 HD21 ASN 29 11.354 -7.111 2.244 233 HD22 ASN 29 HD22 ASN 29 13.059 -7.336 2.433 234 H THR 30 HN THR 30 8.173 -8.674 0.350 235 HA THR 30 HA THR 30 9.082 -10.767 2.166 236 HB THR 30 HB THR 30 8.093 -8.417 3.682 237 HG1 THR 30 HG1 THR 30 10.825 -8.502 3.619 238 HG21 THR 30 HG21 THR 30 9.575 -9.381 5.403 239 HG22 THR 30 HG22 THR 30 10.069 -10.624 4.253 240 HG23 THR 30 HG23 THR 30 8.396 -10.546 4.802 241 H ASN 31 HN ASN 31 7.389 -12.112 2.422 242 HA ASN 31 HA ASN 31 4.790 -11.479 1.515 243 HB2 ASN 31 HB2 ASN 31 5.627 -13.781 1.646 244 HB3 ASN 31 HB1 ASN 31 5.659 -13.682 3.400 245 HD21 ASN 31 HD21 ASN 31 3.770 -13.858 4.548 246 HD22 ASN 31 HD22 ASN 31 2.272 -14.335 3.824 247 H VAL 32 HN VAL 32 3.585 -9.929 2.416 248 HA VAL 32 HA VAL 32 3.857 -9.219 5.180 249 HB VAL 32 HB VAL 32 1.897 -8.196 3.120 250 HG11 VAL 32 HG11 VAL 32 1.102 -7.839 5.399 251 HG12 VAL 32 HG12 VAL 32 1.570 -6.317 4.644 252 HG13 VAL 32 HG13 VAL 32 2.635 -7.081 5.823 253 HG21 VAL 32 HG21 VAL 32 4.244 -7.762 2.535 254 HG22 VAL 32 HG22 VAL 32 4.483 -6.992 4.103 255 HG23 VAL 32 HG23 VAL 32 3.382 -6.277 2.932 256 H GLY 33 HN GLY 33 0.909 -10.082 3.312 257 HA2 GLY 33 HA2 GLY 33 -0.318 -12.015 4.346 258 HA3 GLY 33 HA1 GLY 33 -0.219 -11.059 5.826 259 H VAL 34 HN VAL 34 -2.491 -10.942 5.920 260 HA VAL 34 HA VAL 34 -3.711 -9.194 3.908 261 HB VAL 34 HB VAL 34 -5.136 -11.653 4.879 262 HG11 VAL 34 HG11 VAL 34 -6.535 -9.977 3.878 263 HG12 VAL 34 HG12 VAL 34 -6.393 -11.342 2.771 264 HG13 VAL 34 HG13 VAL 34 -5.472 -9.868 2.477 265 HG21 VAL 34 HG21 VAL 34 -3.481 -12.812 3.866 266 HG22 VAL 34 HG22 VAL 34 -2.964 -11.434 2.889 267 HG23 VAL 34 HG23 VAL 34 -4.381 -12.389 2.404 268 H GLN 35 HN GLN 35 -4.525 -7.499 5.057 269 HA GLN 35 HA GLN 35 -5.934 -7.980 7.531 270 HB2 GLN 35 HB2 GLN 35 -3.626 -7.638 8.150 271 HB3 GLN 35 HB1 GLN 35 -3.520 -6.214 7.127 272 HG2 GLN 35 HG2 GLN 35 -4.799 -4.950 8.532 273 HG3 GLN 35 HG1 GLN 35 -5.471 -6.360 9.336 274 HE21 GLN 35 HE21 GLN 35 -2.879 -7.673 9.610 275 HE22 GLN 35 HE22 GLN 35 -2.027 -6.826 10.853 276 H TYR 36 HN TYR 36 -7.384 -6.211 8.085 277 HA TYR 36 HA TYR 36 -7.863 -4.381 5.851 278 HB2 TYR 36 HB2 TYR 36 -10.187 -4.166 6.852 279 HB3 TYR 36 HB1 TYR 36 -9.791 -5.608 5.936 280 HD1 TYR 36 HD1 TYR 36 -8.940 -7.621 7.371 281 HD2 TYR 36 HD2 TYR 36 -11.165 -4.346 8.847 282 HE1 TYR 36 HE1 TYR 36 -9.599 -8.976 9.295 283 HE2 TYR 36 HE2 TYR 36 -11.858 -5.679 10.808 284 HH TYR 36 HH TYR 36 -12.088 -7.985 11.473 285 H LEU 37 HN LEU 37 -8.716 -2.235 6.349 286 HA LEU 37 HA LEU 37 -7.911 -1.305 9.010 287 HB2 LEU 37 HB2 LEU 37 -6.677 0.513 8.205 288 HB3 LEU 37 HB1 LEU 37 -6.138 -0.857 7.272 289 HG LEU 37 HG LEU 37 -6.186 0.910 5.772 290 HD11 LEU 37 HD11 LEU 37 -8.806 -0.503 5.373 291 HD12 LEU 37 HD12 LEU 37 -7.224 -1.058 4.826 292 HD13 LEU 37 HD13 LEU 37 -7.921 0.416 4.154 293 HD21 LEU 37 HD21 LEU 37 -7.370 2.515 7.115 294 HD22 LEU 37 HD22 LEU 37 -8.891 1.665 6.839 295 HD23 LEU 37 HD23 LEU 37 -8.062 2.448 5.494 296 H ASN 38 HN ASN 38 -8.924 0.610 9.745 297 HA ASN 38 HA ASN 38 -11.611 0.960 8.645 298 HB2 ASN 38 HB2 ASN 38 -10.555 1.960 11.288 299 HB3 ASN 38 HB1 ASN 38 -12.229 1.827 10.795 300 HD21 ASN 38 HD21 ASN 38 -9.450 0.133 11.969 301 HD22 ASN 38 HD22 ASN 38 -10.260 -1.344 12.356 302 H PHE 39 HN PHE 39 -12.520 3.105 8.561 303 HA PHE 39 HA PHE 39 -10.780 5.134 7.590 304 HB2 PHE 39 HB2 PHE 39 -12.937 5.294 6.710 305 HB3 PHE 39 HB1 PHE 39 -13.705 4.998 8.265 306 HD1 PHE 39 HD1 PHE 39 -11.650 7.568 6.495 307 HD2 PHE 39 HD2 PHE 39 -14.618 6.775 9.434 308 HE1 PHE 39 HE1 PHE 39 -11.989 9.982 6.807 309 HE2 PHE 39 HE2 PHE 39 -14.944 9.182 9.762 310 HZ PHE 39 HZ PHE 39 -13.634 10.792 8.443 311 H LYS 40 HN LYS 40 -10.347 7.194 8.598 312 HA LYS 40 HA LYS 40 -9.443 8.435 10.275 313 HB2 LYS 40 HB2 LYS 40 -10.924 6.627 12.164 314 HB3 LYS 40 HB1 LYS 40 -10.054 8.075 12.626 315 HG2 LYS 40 HG2 LYS 40 -11.596 9.439 11.333 316 HG3 LYS 40 HG1 LYS 40 -12.470 7.988 10.833 317 HD2 LYS 40 HD2 LYS 40 -13.057 7.512 13.135 318 HD3 LYS 40 HD1 LYS 40 -12.108 8.891 13.688 319 HE2 LYS 40 HE2 LYS 40 -13.592 10.392 12.437 320 HE3 LYS 40 HE1 LYS 40 -14.548 9.004 11.925 321 HZ1 LYS 40 HZ1 LYS 40 -15.073 8.556 14.242 322 HZ2 LYS 40 HZ2 LYS 40 -15.548 10.122 13.819 323 HZ3 LYS 40 HZ3 LYS 40 -14.147 9.883 14.732 324 H GLY 41 HN GLY 41 -8.807 5.346 9.551 325 HA2 GLY 41 HA2 GLY 41 -6.528 5.271 11.366 326 HA3 GLY 41 HA1 GLY 41 -7.518 3.848 11.087 327 H THR 42 HN THR 42 -4.871 3.883 10.680 328 HA THR 42 HA THR 42 -4.613 3.419 7.766 329 HB THR 42 HB THR 42 -2.056 3.770 8.551 330 HG1 THR 42 HG1 THR 42 -3.452 5.819 9.947 331 HG21 THR 42 HG21 THR 42 -2.202 6.024 7.555 332 HG22 THR 42 HG22 THR 42 -3.959 5.909 7.624 333 HG23 THR 42 HG23 THR 42 -3.041 4.795 6.611 334 H ARG 43 HN ARG 43 -3.117 1.655 7.292 335 HA ARG 43 HA ARG 43 -2.444 -0.031 9.583 336 HB2 ARG 43 HB2 ARG 43 -3.815 -0.871 7.079 337 HB3 ARG 43 HB1 ARG 43 -2.801 -2.006 7.951 338 HG2 ARG 43 HG2 ARG 43 -5.130 -0.541 9.171 339 HG3 ARG 43 HG1 ARG 43 -5.237 -2.153 8.467 340 HD2 ARG 43 HD2 ARG 43 -5.014 -2.353 10.843 341 HD3 ARG 43 HD1 ARG 43 -3.532 -2.922 10.083 342 HE ARG 43 HE ARG 43 -3.603 -0.166 11.057 343 HH11 ARG 43 HH11 ARG 43 -2.547 -3.478 11.488 344 HH12 ARG 43 HH12 ARG 43 -1.301 -3.065 12.629 345 HH21 ARG 43 HH21 ARG 43 -1.965 0.377 12.572 346 HH22 ARG 43 HH22 ARG 43 -0.963 -0.876 13.229 347 H ILE 44 HN ILE 44 -0.338 -0.023 9.676 348 HA ILE 44 HA ILE 44 1.070 0.418 7.149 349 HB ILE 44 HB ILE 44 1.954 1.312 9.898 350 HG12 ILE 44 HG12 ILE 44 1.627 3.598 8.635 351 HG13 ILE 44 HG11 ILE 44 0.508 2.663 7.654 352 HG21 ILE 44 HG21 ILE 44 3.747 2.413 8.795 353 HG22 ILE 44 HG22 ILE 44 3.056 2.064 7.212 354 HG23 ILE 44 HG23 ILE 44 3.724 0.751 8.189 355 HD11 ILE 44 HD11 ILE 44 -0.478 3.962 9.582 356 HD12 ILE 44 HD12 ILE 44 0.293 2.782 10.643 357 HD13 ILE 44 HD13 ILE 44 -0.920 2.258 9.470 358 H ILE 45 HN ILE 45 2.626 -0.833 6.581 359 HA ILE 45 HA ILE 45 3.327 -3.089 8.283 360 HB ILE 45 HB ILE 45 3.717 -2.695 5.404 361 HG12 ILE 45 HG12 ILE 45 2.090 -4.799 6.311 362 HG13 ILE 45 HG11 ILE 45 1.457 -3.216 6.705 363 HG21 ILE 45 HG21 ILE 45 4.307 -5.046 5.282 364 HG22 ILE 45 HG22 ILE 45 4.242 -5.131 7.044 365 HG23 ILE 45 HG23 ILE 45 5.465 -4.136 6.251 366 HD11 ILE 45 HD11 ILE 45 1.091 -2.688 4.567 367 HD12 ILE 45 HD12 ILE 45 1.038 -4.440 4.357 368 HD13 ILE 45 HD13 ILE 45 2.525 -3.546 4.013 369 H LYS 46 HN LYS 46 5.568 -3.700 8.437 370 HA LYS 46 HA LYS 46 7.490 -1.877 7.275 371 HB2 LYS 46 HB2 LYS 46 8.771 -1.861 9.519 372 HB3 LYS 46 HB1 LYS 46 7.412 -0.767 9.321 373 HG2 LYS 46 HG2 LYS 46 5.991 -2.246 10.600 374 HG3 LYS 46 HG1 LYS 46 7.300 -3.420 10.736 375 HD2 LYS 46 HD2 LYS 46 6.936 -1.935 12.750 376 HD3 LYS 46 HD1 LYS 46 8.578 -1.979 12.111 377 HE2 LYS 46 HE2 LYS 46 7.899 0.296 12.687 378 HE3 LYS 46 HE1 LYS 46 8.207 0.133 10.962 379 HZ1 LYS 46 HZ1 LYS 46 5.783 -0.088 10.650 380 HZ2 LYS 46 HZ2 LYS 46 6.238 1.413 11.285 381 HZ3 LYS 46 HZ3 LYS 46 5.559 0.232 12.295 382 H PHE 47 HN PHE 47 9.596 -2.753 7.106 383 HA PHE 47 HA PHE 47 10.168 -5.441 7.690 384 HB2 PHE 47 HB2 PHE 47 8.884 -4.865 5.043 385 HB3 PHE 47 HB1 PHE 47 10.215 -6.015 5.096 386 HD1 PHE 47 HD1 PHE 47 7.096 -6.295 4.488 387 HD2 PHE 47 HD2 PHE 47 9.613 -7.228 7.795 388 HE1 PHE 47 HE1 PHE 47 5.535 -8.061 5.168 389 HE2 PHE 47 HE2 PHE 47 8.052 -9.003 8.471 390 HZ PHE 47 HZ PHE 47 6.018 -9.428 7.162 391 H LYS 48 HN LYS 48 12.236 -5.417 7.805 392 HA LYS 48 HA LYS 48 13.658 -3.330 6.311 393 HB2 LYS 48 HB2 LYS 48 15.054 -3.069 8.286 394 HB3 LYS 48 HB1 LYS 48 13.335 -2.913 8.684 395 HG2 LYS 48 HG2 LYS 48 13.363 -5.269 9.467 396 HG3 LYS 48 HG1 LYS 48 15.113 -5.279 9.235 397 HD2 LYS 48 HD2 LYS 48 15.402 -3.547 10.861 398 HD3 LYS 48 HD1 LYS 48 13.660 -3.297 10.978 399 HE2 LYS 48 HE2 LYS 48 13.439 -5.612 11.840 400 HE3 LYS 48 HE1 LYS 48 15.196 -5.748 11.826 401 HZ1 LYS 48 HZ1 LYS 48 15.313 -3.912 13.391 402 HZ2 LYS 48 HZ2 LYS 48 14.375 -5.171 14.018 403 HZ3 LYS 48 HZ3 LYS 48 13.627 -3.785 13.406 404 H ASP 49 HN ASP 49 13.058 -6.365 6.232 405 HA ASP 49 HA ASP 49 15.386 -7.266 4.898 406 HB2 ASP 49 HB2 ASP 49 16.066 -7.426 7.362 407 HB3 ASP 49 HB1 ASP 49 14.814 -8.651 7.534 408 H ASP 50 HN ASP 50 14.715 -10.124 5.630 409 HA ASP 50 HA ASP 50 11.963 -10.426 4.923 410 HB2 ASP 50 HB2 ASP 50 12.663 -10.055 2.706 411 HB3 ASP 50 HB1 ASP 50 14.105 -11.034 2.933 412 H GLY 51 HN GLY 51 11.533 -11.786 6.466 413 HA2 GLY 51 HA2 GLY 51 13.171 -14.203 6.753 414 HA3 GLY 51 HA1 GLY 51 11.993 -13.616 7.915 415 H THR 52 HN THR 52 10.909 -13.433 4.710 416 HA THR 52 HA THR 52 9.229 -15.809 5.147 417 HB THR 52 HB THR 52 7.625 -14.853 3.662 418 HG1 THR 52 HG1 THR 52 9.694 -13.028 3.110 419 HG21 THR 52 HG21 THR 52 6.951 -12.883 4.951 420 HG22 THR 52 HG22 THR 52 8.560 -12.815 5.671 421 HG23 THR 52 HG23 THR 52 7.504 -14.188 6.000 422 H GLU 53 HN GLU 53 8.526 -16.871 2.998 423 HA GLU 53 HA GLU 53 10.953 -17.202 1.390 424 HB2 GLU 53 HB2 GLU 53 8.778 -19.078 2.184 425 HB3 GLU 53 HB1 GLU 53 9.674 -19.377 0.703 426 HG2 GLU 53 HG2 GLU 53 10.830 -19.117 3.466 427 HG3 GLU 53 HG1 GLU 53 10.664 -20.602 2.527 428 H ARG 54 HN ARG 54 7.536 -16.464 1.159 429 HA ARG 54 HA ARG 54 7.510 -16.466 -1.711 430 HB2 ARG 54 HB2 ARG 54 5.695 -15.009 0.227 431 HB3 ARG 54 HB1 ARG 54 5.395 -15.225 -1.490 432 HG2 ARG 54 HG2 ARG 54 5.187 -17.602 -1.205 433 HG3 ARG 54 HG1 ARG 54 5.644 -17.474 0.492 434 HD2 ARG 54 HD2 ARG 54 3.635 -16.017 0.827 435 HD3 ARG 54 HD1 ARG 54 3.151 -16.412 -0.822 436 HE ARG 54 HE ARG 54 3.345 -18.836 0.102 437 HH11 ARG 54 HH11 ARG 54 2.116 -16.032 1.798 438 HH12 ARG 54 HH12 ARG 54 1.075 -16.955 2.833 439 HH21 ARG 54 HH21 ARG 54 1.982 -20.056 1.471 440 HH22 ARG 54 HH22 ARG 54 0.997 -19.243 2.647 441 H SER 55 HN SER 55 7.790 -14.009 0.797 442 HA SER 55 HA SER 55 9.115 -12.199 0.990 443 HB2 SER 55 HB2 SER 55 10.541 -13.335 -1.411 444 HB3 SER 55 HB1 SER 55 11.197 -12.185 -0.243 445 HG SER 55 HG SER 55 11.503 -13.742 1.169 446 H ARG 56 HN ARG 56 7.081 -11.007 0.171 447 HA ARG 56 HA ARG 56 7.834 -9.290 -1.944 448 HB2 ARG 56 HB2 ARG 56 6.224 -10.249 -3.484 449 HB3 ARG 56 HB1 ARG 56 7.408 -11.434 -2.965 450 HG2 ARG 56 HG2 ARG 56 5.803 -12.419 -1.464 451 HG3 ARG 56 HG1 ARG 56 4.593 -11.226 -1.940 452 HD2 ARG 56 HD2 ARG 56 4.271 -13.360 -3.107 453 HD3 ARG 56 HD1 ARG 56 4.644 -12.049 -4.226 454 HE ARG 56 HE ARG 56 6.945 -13.572 -3.372 455 HH11 ARG 56 HH11 ARG 56 4.372 -13.295 -5.736 456 HH12 ARG 56 HH12 ARG 56 5.201 -14.238 -6.933 457 HH21 ARG 56 HH21 ARG 56 8.033 -14.807 -4.945 458 HH22 ARG 56 HH22 ARG 56 7.282 -15.103 -6.481 459 H TRP 57 HN TRP 57 6.564 -7.320 -2.026 460 HA TRP 57 HA TRP 57 3.893 -7.443 -0.804 461 HB2 TRP 57 HB2 TRP 57 4.874 -4.788 -0.511 462 HB3 TRP 57 HB1 TRP 57 4.226 -5.887 0.683 463 HD1 TRP 57 HD1 TRP 57 6.451 -7.889 1.133 464 HE1 TRP 57 HE1 TRP 57 8.751 -7.252 2.031 465 HE3 TRP 57 HE3 TRP 57 6.453 -2.931 -0.076 466 HZ2 TRP 57 HZ2 TRP 57 10.355 -4.959 2.259 467 HZ3 TRP 57 HZ3 TRP 57 8.411 -1.579 0.553 468 HH2 TRP 57 HH2 TRP 57 10.323 -2.573 1.692 469 H ASN 58 HN ASN 58 2.877 -7.470 -2.851 470 HA ASN 58 HA ASN 58 2.392 -4.668 -3.632 471 HB2 ASN 58 HB2 ASN 58 2.853 -5.749 -5.689 472 HB3 ASN 58 HB1 ASN 58 2.054 -7.234 -5.190 473 HD21 ASN 58 HD21 ASN 58 0.845 -7.310 -7.055 474 HD22 ASN 58 HD22 ASN 58 -0.474 -6.239 -7.353 475 H CYS 59 HN CYS 59 0.354 -3.919 -2.997 476 HA CYS 59 HA CYS 59 -0.928 -5.795 -1.161 477 HB2 CYS 59 HB2 CYS 59 -1.373 -2.819 -1.397 478 HB3 CYS 59 HB1 CYS 59 -1.972 -3.879 -0.131 479 H LEU 60 HN LEU 60 -2.964 -6.473 -1.333 480 HA LEU 60 HA LEU 60 -4.345 -5.753 -3.815 481 HB2 LEU 60 HB2 LEU 60 -4.396 -8.413 -2.380 482 HB3 LEU 60 HB1 LEU 60 -5.116 -8.042 -3.933 483 HG LEU 60 HG LEU 60 -2.145 -8.027 -3.408 484 HD11 LEU 60 HD11 LEU 60 -3.036 -10.269 -3.123 485 HD12 LEU 60 HD12 LEU 60 -2.106 -10.152 -4.617 486 HD13 LEU 60 HD13 LEU 60 -3.868 -10.150 -4.673 487 HD21 LEU 60 HD21 LEU 60 -3.742 -7.943 -5.964 488 HD22 LEU 60 HD22 LEU 60 -1.986 -8.043 -5.851 489 HD23 LEU 60 HD23 LEU 60 -2.828 -6.608 -5.265 490 H PHE 61 HN PHE 61 -6.307 -4.940 -3.472 491 HA PHE 61 HA PHE 61 -7.189 -4.908 -0.690 492 HB2 PHE 61 HB2 PHE 61 -7.856 -3.234 -3.105 493 HB3 PHE 61 HB1 PHE 61 -8.855 -3.185 -1.671 494 HD1 PHE 61 HD1 PHE 61 -5.169 -3.452 -1.380 495 HD2 PHE 61 HD2 PHE 61 -8.568 -0.925 -1.424 496 HE1 PHE 61 HE1 PHE 61 -3.807 -1.621 -0.552 497 HE2 PHE 61 HE2 PHE 61 -7.235 0.928 -0.670 498 HZ PHE 61 HZ PHE 61 -4.821 0.607 -0.176 499 H ARG 62 HN ARG 62 -8.820 -6.196 -0.103 500 HA ARG 62 HA ARG 62 -10.857 -6.912 -2.107 501 HB2 ARG 62 HB2 ARG 62 -10.853 -9.232 -1.328 502 HB3 ARG 62 HB1 ARG 62 -9.259 -8.790 -1.924 503 HG2 ARG 62 HG2 ARG 62 -8.617 -8.360 0.479 504 HG3 ARG 62 HG1 ARG 62 -10.138 -9.132 0.927 505 HD2 ARG 62 HD2 ARG 62 -7.872 -10.368 -0.629 506 HD3 ARG 62 HD1 ARG 62 -8.341 -10.744 1.026 507 HE ARG 62 HE ARG 62 -10.335 -11.182 -1.062 508 HH11 ARG 62 HH11 ARG 62 -7.943 -12.543 1.104 509 HH12 ARG 62 HH12 ARG 62 -8.553 -14.160 0.971 510 HH21 ARG 62 HH21 ARG 62 -11.116 -13.330 -1.266 511 HH22 ARG 62 HH22 ARG 62 -10.346 -14.609 -0.388 512 H GLN 63 HN GLN 63 -12.949 -7.299 -1.165 513 HA GLN 63 HA GLN 63 -13.257 -6.019 1.438 514 HB2 GLN 63 HB2 GLN 63 -14.669 -5.526 -0.673 515 HB3 GLN 63 HB1 GLN 63 -15.521 -7.010 -0.273 516 HG2 GLN 63 HG2 GLN 63 -16.738 -5.158 0.614 517 HG3 GLN 63 HG1 GLN 63 -16.030 -6.061 1.953 518 HE21 GLN 63 HE21 GLN 63 -16.012 -4.370 3.376 519 HE22 GLN 63 HE22 GLN 63 -14.973 -2.998 3.200 520 H GLY 64 HN GLY 64 -12.067 -8.588 1.487 521 HA2 GLY 64 HA2 GLY 64 -12.272 -10.396 2.970 522 HA3 GLY 64 HA1 GLY 64 -13.953 -9.943 3.209 523 H ILE 65 HN ILE 65 -12.838 -10.201 0.014 524 HA ILE 65 HA ILE 65 -13.996 -12.803 -0.394 525 HB ILE 65 HB ILE 65 -15.978 -11.556 -0.308 526 HG12 ILE 65 HG12 ILE 65 -16.840 -11.473 -2.668 527 HG13 ILE 65 HG11 ILE 65 -15.219 -11.879 -3.216 528 HG21 ILE 65 HG21 ILE 65 -14.962 -9.423 -0.317 529 HG22 ILE 65 HG22 ILE 65 -16.294 -9.458 -1.486 530 HG23 ILE 65 HG23 ILE 65 -14.621 -9.546 -2.045 531 HD11 ILE 65 HD11 ILE 65 -16.642 -13.840 -3.156 532 HD12 ILE 65 HD12 ILE 65 -16.966 -13.573 -1.444 533 HD13 ILE 65 HD13 ILE 65 -15.337 -13.985 -1.980 534 H ASN 66 HN ASN 66 -14.052 -13.097 -2.995 535 HA ASN 66 HA ASN 66 -11.376 -13.000 -3.832 536 HB2 ASN 66 HB2 ASN 66 -13.913 -13.555 -5.370 537 HB3 ASN 66 HB1 ASN 66 -12.296 -13.787 -6.027 538 HD21 ASN 66 HD21 ASN 66 -14.447 -15.708 -5.517 539 HD22 ASN 66 HD22 ASN 66 -13.756 -16.910 -4.479 540 H MET 67 HN MET 67 -11.990 -12.334 -6.674 541 HA MET 67 HA MET 67 -10.862 -9.781 -6.695 542 HB2 MET 67 HB2 MET 67 -12.183 -11.390 -8.866 543 HB3 MET 67 HB1 MET 67 -11.409 -9.842 -9.167 544 HG2 MET 67 HG2 MET 67 -9.857 -11.541 -9.724 545 HG3 MET 67 HG1 MET 67 -9.304 -10.787 -8.233 546 HE1 MET 67 HE1 MET 67 -11.173 -14.993 -8.574 547 HE2 MET 67 HE2 MET 67 -10.764 -13.956 -9.940 548 HE3 MET 67 HE3 MET 67 -12.109 -13.533 -8.883 549 H LYS 68 HN LYS 68 -13.992 -10.391 -5.883 550 HA LYS 68 HA LYS 68 -15.111 -8.009 -7.087 551 HB2 LYS 68 HB2 LYS 68 -16.163 -9.967 -5.047 552 HB3 LYS 68 HB1 LYS 68 -17.017 -8.483 -5.445 553 HG2 LYS 68 HG2 LYS 68 -18.024 -10.124 -6.763 554 HG3 LYS 68 HG1 LYS 68 -16.946 -9.266 -7.861 555 HD2 LYS 68 HD2 LYS 68 -16.639 -11.543 -8.349 556 HD3 LYS 68 HD1 LYS 68 -15.248 -11.097 -7.358 557 HE2 LYS 68 HE2 LYS 68 -16.139 -13.234 -6.644 558 HE3 LYS 68 HE1 LYS 68 -16.374 -12.024 -5.384 559 HZ1 LYS 68 HZ1 LYS 68 -18.454 -12.888 -7.322 560 HZ2 LYS 68 HZ2 LYS 68 -18.665 -11.795 -6.047 561 HZ3 LYS 68 HZ3 LYS 68 -18.337 -13.421 -5.719 562 H PHE 69 HN PHE 69 -15.308 -6.039 -6.129 563 HA PHE 69 HA PHE 69 -14.594 -4.275 -4.881 564 HB2 PHE 69 HB2 PHE 69 -14.835 -6.299 -2.643 565 HB3 PHE 69 HB1 PHE 69 -14.554 -4.580 -2.397 566 HD1 PHE 69 HD1 PHE 69 -16.315 -3.003 -2.571 567 HD2 PHE 69 HD2 PHE 69 -16.985 -7.087 -3.559 568 HE1 PHE 69 HE1 PHE 69 -18.741 -2.599 -2.584 569 HE2 PHE 69 HE2 PHE 69 -19.413 -6.688 -3.579 570 HZ PHE 69 HZ PHE 69 -20.294 -4.443 -3.090 571 H PHE 70 HN PHE 70 -12.603 -5.326 -6.257 572 HA PHE 70 HA PHE 70 -10.355 -5.850 -4.413 573 HB2 PHE 70 HB2 PHE 70 -11.313 -7.713 -5.872 574 HB3 PHE 70 HB1 PHE 70 -10.569 -6.880 -7.215 575 HD1 PHE 70 HD1 PHE 70 -9.632 -7.995 -3.774 576 HD2 PHE 70 HD2 PHE 70 -8.572 -7.606 -7.856 577 HE1 PHE 70 HE1 PHE 70 -7.509 -9.101 -3.321 578 HE2 PHE 70 HE2 PHE 70 -6.479 -8.705 -7.438 579 HZ PHE 70 HZ PHE 70 -5.944 -9.479 -4.961 580 H THR 71 HN THR 71 -8.322 -5.123 -5.038 581 HA THR 71 HA THR 71 -7.783 -3.928 -7.546 582 HB THR 71 HB THR 71 -8.899 -2.054 -6.018 583 HG1 THR 71 HG1 THR 71 -8.357 -0.977 -7.754 584 HG21 THR 71 HG21 THR 71 -6.699 -0.590 -5.476 585 HG22 THR 71 HG22 THR 71 -6.083 -2.212 -5.103 586 HG23 THR 71 HG23 THR 71 -7.501 -1.596 -4.250 587 H GLU 72 HN GLU 72 -5.496 -3.253 -7.741 588 HA GLU 72 HA GLU 72 -3.878 -4.568 -5.686 589 HB2 GLU 72 HB2 GLU 72 -2.360 -5.291 -7.525 590 HB3 GLU 72 HB1 GLU 72 -3.948 -6.035 -7.575 591 HG2 GLU 72 HG2 GLU 72 -4.609 -4.441 -9.327 592 HG3 GLU 72 HG1 GLU 72 -2.979 -3.768 -9.301 593 H VAL 73 HN VAL 73 -2.462 -3.265 -4.776 594 HA VAL 73 HA VAL 73 -1.538 -0.912 -6.284 595 HB VAL 73 HB VAL 73 -1.610 -0.665 -3.362 596 HG11 VAL 73 HG11 VAL 73 -0.885 1.202 -4.593 597 HG12 VAL 73 HG12 VAL 73 -2.510 1.598 -4.029 598 HG13 VAL 73 HG13 VAL 73 -2.256 1.097 -5.698 599 HG21 VAL 73 HG21 VAL 73 -4.063 0.057 -3.508 600 HG22 VAL 73 HG22 VAL 73 -3.706 -1.671 -3.397 601 HG23 VAL 73 HG23 VAL 73 -4.112 -0.940 -4.966 602 H GLU 74 HN GLU 74 0.565 -1.293 -6.705 603 HA GLU 74 HA GLU 74 2.116 -3.189 -5.334 604 HB2 GLU 74 HB2 GLU 74 2.860 -1.005 -7.263 605 HB3 GLU 74 HB1 GLU 74 4.031 -2.126 -6.591 606 HG2 GLU 74 HG2 GLU 74 2.783 -3.996 -7.563 607 HG3 GLU 74 HG1 GLU 74 1.642 -2.849 -8.264 608 H ALA 75 HN ALA 75 3.305 -3.077 -3.593 609 HA ALA 75 HA ALA 75 3.642 -0.560 -2.213 610 HB1 ALA 75 HB1 ALA 75 4.527 -3.336 -1.488 611 HB2 ALA 75 HB2 ALA 75 3.082 -2.513 -0.902 612 HB3 ALA 75 HB3 ALA 75 4.685 -1.916 -0.459 613 H TYR 76 HN TYR 76 5.943 -3.207 -3.097 614 HA TYR 76 HA TYR 76 7.868 -1.497 -4.214 615 HB2 TYR 76 HB2 TYR 76 7.737 -0.473 -1.943 616 HB3 TYR 76 HB1 TYR 76 8.292 -1.996 -1.268 617 HD1 TYR 76 HD1 TYR 76 9.507 -0.186 -4.293 618 HD2 TYR 76 HD2 TYR 76 10.360 -1.506 -0.341 619 HE1 TYR 76 HE1 TYR 76 11.826 0.535 -4.558 620 HE2 TYR 76 HE2 TYR 76 12.682 -0.796 -0.599 621 HH TYR 76 HH TYR 76 13.733 1.271 -2.828 622 H ARG 77 HN ARG 77 9.878 -2.498 -4.622 623 HA ARG 77 HA ARG 77 9.906 -5.416 -4.192 624 HB2 ARG 77 HB2 ARG 77 11.001 -3.907 -6.575 625 HB3 ARG 77 HB1 ARG 77 10.877 -5.650 -6.397 626 HG2 ARG 77 HG2 ARG 77 8.451 -5.500 -6.436 627 HG3 ARG 77 HG1 ARG 77 8.554 -3.742 -6.573 628 HD2 ARG 77 HD2 ARG 77 9.868 -4.070 -8.672 629 HD3 ARG 77 HD1 ARG 77 9.519 -5.792 -8.555 630 HE ARG 77 HE ARG 77 7.083 -4.490 -8.436 631 HH11 ARG 77 HH11 ARG 77 9.722 -4.849 -10.694 632 HH12 ARG 77 HH12 ARG 77 8.739 -4.572 -12.093 633 HH21 ARG 77 HH21 ARG 77 5.764 -4.116 -10.273 634 HH22 ARG 77 HH22 ARG 77 6.479 -4.177 -11.859 635 HA PRO 78 HA PRO 78 14.049 -4.794 -2.700 636 HB2 PRO 78 HB2 PRO 78 15.200 -7.137 -3.122 637 HB3 PRO 78 HB1 PRO 78 13.828 -6.984 -2.024 638 HG2 PRO 78 HG2 PRO 78 13.932 -8.104 -4.775 639 HG3 PRO 78 HG1 PRO 78 12.905 -8.567 -3.409 640 HD2 PRO 78 HD2 PRO 78 12.186 -6.906 -5.572 641 HD3 PRO 78 HD1 PRO 78 11.267 -7.152 -4.077 642 H ASP 79 HN ASP 79 14.486 -3.204 -4.429 643 HA ASP 79 HA ASP 79 15.995 -4.108 -6.712 644 HB2 ASP 79 HB2 ASP 79 14.926 -1.481 -5.802 645 HB3 ASP 79 HB1 ASP 79 16.176 -1.519 -7.038 646 H LEU 80 HN LEU 80 18.137 -3.649 -7.192 647 HA LEU 80 HA LEU 80 19.840 -2.887 -4.975 648 HB2 LEU 80 HB2 LEU 80 21.693 -3.242 -6.648 649 HB3 LEU 80 HB1 LEU 80 20.724 -4.654 -6.286 650 HG LEU 80 HG LEU 80 19.412 -4.039 -8.433 651 HD11 LEU 80 HD11 LEU 80 21.971 -2.528 -8.919 652 HD12 LEU 80 HD12 LEU 80 20.360 -1.829 -8.776 653 HD13 LEU 80 HD13 LEU 80 20.743 -2.890 -10.130 654 HD21 LEU 80 HD21 LEU 80 22.241 -5.060 -8.573 655 HD22 LEU 80 HD22 LEU 80 21.000 -5.298 -9.800 656 HD23 LEU 80 HD23 LEU 80 20.806 -6.015 -8.200 657 H LYS 81 HN LYS 81 18.158 -1.553 -7.424 658 HA LYS 81 HA LYS 81 19.554 0.985 -7.576 659 HB2 LYS 81 HB2 LYS 81 18.349 -0.004 -9.534 660 HB3 LYS 81 HB1 LYS 81 16.839 0.196 -8.662 661 HG2 LYS 81 HG2 LYS 81 17.087 1.975 -10.251 662 HG3 LYS 81 HG1 LYS 81 17.230 2.634 -8.623 663 HD2 LYS 81 HD2 LYS 81 19.657 2.669 -8.833 664 HD3 LYS 81 HD1 LYS 81 19.539 1.960 -10.444 665 HE2 LYS 81 HE2 LYS 81 19.881 4.336 -10.644 666 HE3 LYS 81 HE1 LYS 81 18.252 3.936 -11.181 667 HZ1 LYS 81 HZ1 LYS 81 17.409 4.667 -9.035 668 HZ2 LYS 81 HZ2 LYS 81 18.264 5.907 -9.795 669 HZ3 LYS 81 HZ3 LYS 81 18.975 5.054 -8.526 670 H HIS 82 HN HIS 82 18.382 -0.297 -5.135 671 HA HIS 82 HA HIS 82 15.865 0.070 -4.400 672 HB2 HIS 82 HB2 HIS 82 18.145 -0.683 -3.164 673 HB3 HIS 82 HB1 HIS 82 17.803 0.803 -2.293 674 HD1 HIS 82 HD1 HIS 82 16.133 -2.494 -3.141 675 HD2 HIS 82 HD2 HIS 82 16.049 0.500 -0.250 676 HE1 HIS 82 HE1 HIS 82 14.589 -3.331 -1.332 677 HE2 HIS 82 HE2 HIS 82 14.743 -1.603 0.494 678 HA PRO 83 HA PRO 83 15.444 4.594 -4.158 679 HB2 PRO 83 HB2 PRO 83 12.918 4.666 -5.059 680 HB3 PRO 83 HB1 PRO 83 14.286 4.509 -6.165 681 HG2 PRO 83 HG2 PRO 83 12.402 2.419 -5.171 682 HG3 PRO 83 HG1 PRO 83 13.096 2.627 -6.789 683 HD2 PRO 83 HD2 PRO 83 14.026 0.847 -4.889 684 HD3 PRO 83 HD1 PRO 83 14.981 1.466 -6.248 685 H LEU 84 HN LEU 84 13.508 5.794 -3.095 686 HA LEU 84 HA LEU 84 12.320 6.246 -1.247 687 HB2 LEU 84 HB2 LEU 84 12.032 3.248 -0.967 688 HB3 LEU 84 HB1 LEU 84 11.312 4.425 0.090 689 HG LEU 84 HG LEU 84 9.944 5.298 -1.760 690 HD11 LEU 84 HD11 LEU 84 11.376 4.734 -3.642 691 HD12 LEU 84 HD12 LEU 84 9.765 4.048 -3.844 692 HD13 LEU 84 HD13 LEU 84 11.106 3.017 -3.345 693 HD21 LEU 84 HD21 LEU 84 9.716 2.331 -1.311 694 HD22 LEU 84 HD22 LEU 84 8.439 3.381 -1.924 695 HD23 LEU 84 HD23 LEU 84 9.047 3.597 -0.283 696 H CYS 85 HN CYS 85 13.235 3.411 0.295 697 HA CYS 85 HA CYS 85 14.656 2.877 1.950 698 HB2 CYS 85 HB2 CYS 85 16.299 4.998 0.620 699 HB3 CYS 85 HB1 CYS 85 16.866 4.120 2.017 700 H GLY 86 HN GLY 86 12.928 5.553 1.966 701 HA2 GLY 86 HA2 GLY 86 13.707 6.178 4.728 702 HA3 GLY 86 HA1 GLY 86 12.630 7.162 3.741 703 H LYS 87 HN LYS 87 10.710 5.782 2.866 704 HA LYS 87 HA LYS 87 9.874 3.513 4.388 705 HB2 LYS 87 HB2 LYS 87 8.134 5.968 4.572 706 HB3 LYS 87 HB1 LYS 87 7.690 4.333 5.037 707 HG2 LYS 87 HG2 LYS 87 8.209 5.081 7.091 708 HG3 LYS 87 HG1 LYS 87 9.850 4.673 6.593 709 HD2 LYS 87 HD2 LYS 87 10.238 6.981 5.922 710 HD3 LYS 87 HD1 LYS 87 8.578 7.399 6.350 711 HE2 LYS 87 HE2 LYS 87 10.710 6.410 8.241 712 HE3 LYS 87 HE1 LYS 87 10.132 8.070 8.106 713 HZ1 LYS 87 HZ1 LYS 87 9.061 7.042 9.949 714 HZ2 LYS 87 HZ2 LYS 87 8.582 5.706 9.024 715 HZ3 LYS 87 HZ3 LYS 87 7.903 7.231 8.731 716 H ARG 88 HN ARG 88 7.204 3.489 3.766 717 HA ARG 88 HA ARG 88 7.243 3.536 0.859 718 HB2 ARG 88 HB2 ARG 88 6.691 1.388 2.380 719 HB3 ARG 88 HB1 ARG 88 5.092 2.085 2.234 720 HG2 ARG 88 HG2 ARG 88 6.712 1.695 -0.228 721 HG3 ARG 88 HG1 ARG 88 5.929 0.304 0.516 722 HD2 ARG 88 HD2 ARG 88 3.829 1.040 0.001 723 HD3 ARG 88 HD1 ARG 88 4.283 2.738 0.077 724 HE ARG 88 HE ARG 88 5.416 1.228 -2.128 725 HH11 ARG 88 HH11 ARG 88 2.762 3.261 -1.073 726 HH12 ARG 88 HH12 ARG 88 2.370 3.788 -2.685 727 HH21 ARG 88 HH21 ARG 88 4.899 1.936 -4.236 728 HH22 ARG 88 HH22 ARG 88 3.577 3.035 -4.470 729 H TYR 89 HN TYR 89 5.163 4.019 -0.141 730 HA TYR 89 HA TYR 89 4.127 6.482 1.005 731 HB2 TYR 89 HB2 TYR 89 3.875 5.448 -1.822 732 HB3 TYR 89 HB1 TYR 89 3.564 7.083 -1.250 733 HD1 TYR 89 HD1 TYR 89 5.843 5.152 -2.986 734 HD2 TYR 89 HD2 TYR 89 5.698 8.109 0.071 735 HE1 TYR 89 HE1 TYR 89 8.172 5.769 -3.477 736 HE2 TYR 89 HE2 TYR 89 8.024 8.734 -0.417 737 HH TYR 89 HH TYR 89 10.028 7.708 -1.416 738 H GLU 90 HN GLU 90 1.693 6.915 0.183 739 HA GLU 90 HA GLU 90 0.360 4.798 1.691 740 HB2 GLU 90 HB2 GLU 90 0.072 6.940 2.656 741 HB3 GLU 90 HB1 GLU 90 -0.344 7.663 1.110 742 HG2 GLU 90 HG2 GLU 90 -2.407 6.282 1.085 743 HG3 GLU 90 HG1 GLU 90 -1.992 5.724 2.708 744 H LEU 91 HN LEU 91 -1.043 3.472 0.885 745 HA LEU 91 HA LEU 91 -2.359 4.214 -1.629 746 HB2 LEU 91 HB2 LEU 91 -3.060 1.583 -1.069 747 HB3 LEU 91 HB1 LEU 91 -1.962 2.138 -2.303 748 HG LEU 91 HG LEU 91 -1.064 1.374 0.473 749 HD11 LEU 91 HD11 LEU 91 -0.565 -0.269 -1.961 750 HD12 LEU 91 HD12 LEU 91 -2.097 -0.435 -1.108 751 HD13 LEU 91 HD13 LEU 91 -0.579 -0.752 -0.267 752 HD21 LEU 91 HD21 LEU 91 0.440 2.904 -0.725 753 HD22 LEU 91 HD22 LEU 91 0.476 1.787 -2.089 754 HD23 LEU 91 HD23 LEU 91 1.151 1.301 -0.533 755 H SER 92 HN SER 92 -4.290 5.033 -1.316 756 HA SER 92 HA SER 92 -5.717 4.304 1.142 757 HB2 SER 92 HB2 SER 92 -4.797 6.656 1.093 758 HB3 SER 92 HB1 SER 92 -5.899 6.952 -0.238 759 HG SER 92 HG SER 92 -6.532 7.401 2.116 760 H ALA 93 HN ALA 93 -8.110 4.631 0.964 761 HA ALA 93 HA ALA 93 -8.919 3.898 -1.750 762 HB1 ALA 93 HB1 ALA 93 -9.793 1.927 -1.212 763 HB2 ALA 93 HB2 ALA 93 -10.267 2.442 0.414 764 HB3 ALA 93 HB3 ALA 93 -8.588 2.014 0.079 765 H ARG 94 HN ARG 94 -10.703 4.539 -2.474 766 HA ARG 94 HA ARG 94 -12.491 5.765 -2.853 767 HB2 ARG 94 HB2 ARG 94 -14.229 5.252 -0.893 768 HB3 ARG 94 HB1 ARG 94 -14.117 4.580 -2.471 769 HG2 ARG 94 HG2 ARG 94 -12.707 2.755 -1.618 770 HG3 ARG 94 HG1 ARG 94 -12.880 3.417 0.013 771 HD2 ARG 94 HD2 ARG 94 -15.209 3.006 0.036 772 HD3 ARG 94 HD1 ARG 94 -15.247 2.695 -1.695 773 HE ARG 94 HE ARG 94 -13.599 0.818 -0.345 774 HH11 ARG 94 HH11 ARG 94 -16.930 1.667 -0.974 775 HH12 ARG 94 HH12 ARG 94 -17.524 0.048 -0.777 776 HH21 ARG 94 HH21 ARG 94 -14.388 -1.357 -0.100 777 HH22 ARG 94 HH22 ARG 94 -16.083 -1.662 -0.286 778 H MET 95 HN MET 95 -11.234 6.798 0.118 779 HA MET 95 HA MET 95 -12.219 9.209 0.399 780 HB2 MET 95 HB2 MET 95 -9.604 8.209 0.293 781 HB3 MET 95 HB1 MET 95 -9.588 9.591 -0.792 782 HG2 MET 95 HG2 MET 95 -10.509 10.976 1.013 783 HG3 MET 95 HG1 MET 95 -10.432 9.564 2.075 784 HE1 MET 95 HE1 MET 95 -7.509 11.872 3.385 785 HE2 MET 95 HE2 MET 95 -8.993 11.022 3.815 786 HE3 MET 95 HE3 MET 95 -9.055 12.412 2.732 787 H ASP 96 HN ASP 96 -11.412 7.749 -2.552 788 HA ASP 96 HA ASP 96 -12.550 8.921 -4.558 789 HB2 ASP 96 HB2 ASP 96 -11.784 11.197 -3.796 790 HB3 ASP 96 HB1 ASP 96 -10.125 10.694 -4.111 791 H ALA 97 HN ALA 97 -11.980 6.773 -5.116 792 HA ALA 97 HA ALA 97 -10.785 5.152 -6.190 793 HB1 ALA 97 HB1 ALA 97 -8.432 6.077 -7.220 794 HB2 ALA 97 HB2 ALA 97 -9.368 7.589 -7.086 795 HB3 ALA 97 HB3 ALA 97 -10.009 6.244 -8.020 796 H ILE 98 HN ILE 98 -8.080 4.707 -6.350 797 HA ILE 98 HA ILE 98 -7.351 4.360 -3.537 798 HB ILE 98 HB ILE 98 -6.740 2.770 -6.026 799 HG12 ILE 98 HG12 ILE 98 -8.939 2.577 -4.641 800 HG13 ILE 98 HG11 ILE 98 -8.099 1.105 -5.127 801 HG21 ILE 98 HG21 ILE 98 -4.692 2.846 -4.712 802 HG22 ILE 98 HG22 ILE 98 -5.425 1.253 -4.537 803 HG23 ILE 98 HG23 ILE 98 -5.571 2.441 -3.237 804 HD11 ILE 98 HD11 ILE 98 -7.798 2.444 -2.468 805 HD12 ILE 98 HD12 ILE 98 -7.219 0.840 -2.948 806 HD13 ILE 98 HD13 ILE 98 -8.950 1.150 -2.810 807 H TYR 99 HN TYR 99 -5.564 5.364 -2.824 808 HA TYR 99 HA TYR 99 -3.967 6.959 -4.665 809 HB2 TYR 99 HB2 TYR 99 -3.638 6.543 -1.676 810 HB3 TYR 99 HB1 TYR 99 -2.710 7.680 -2.649 811 HD1 TYR 99 HD1 TYR 99 -6.391 6.950 -2.413 812 HD2 TYR 99 HD2 TYR 99 -3.270 9.818 -2.058 813 HE1 TYR 99 HE1 TYR 99 -8.054 8.689 -1.918 814 HE2 TYR 99 HE2 TYR 99 -4.925 11.566 -1.566 815 HH TYR 99 HH TYR 99 -8.043 10.942 -0.667 816 H PHE 100 HN PHE 100 -1.582 6.743 -4.759 817 HA PHE 100 HA PHE 100 -0.773 3.954 -4.290 818 HB2 PHE 100 HB2 PHE 100 -1.267 4.362 -6.672 819 HB3 PHE 100 HB1 PHE 100 -0.121 5.694 -6.677 820 HD1 PHE 100 HD1 PHE 100 2.164 5.317 -7.069 821 HD2 PHE 100 HD2 PHE 100 -0.423 2.018 -6.354 822 HE1 PHE 100 HE1 PHE 100 3.956 3.773 -7.734 823 HE2 PHE 100 HE2 PHE 100 1.364 0.466 -7.023 824 HZ PHE 100 HZ PHE 100 3.534 1.343 -7.773 825 H LYS 101 HN LYS 101 -0.258 6.965 -3.467 826 HA LYS 101 HA LYS 101 2.472 6.663 -2.650 827 HB2 LYS 101 HB2 LYS 101 1.706 8.450 -4.925 828 HB3 LYS 101 HB1 LYS 101 3.023 8.927 -3.858 829 HG2 LYS 101 HG2 LYS 101 4.218 6.886 -4.407 830 HG3 LYS 101 HG1 LYS 101 2.870 6.352 -5.413 831 HD2 LYS 101 HD2 LYS 101 3.191 8.397 -6.805 832 HD3 LYS 101 HD1 LYS 101 4.638 8.754 -5.859 833 HE2 LYS 101 HE2 LYS 101 5.596 6.601 -6.544 834 HE3 LYS 101 HE1 LYS 101 4.161 6.279 -7.514 835 HZ1 LYS 101 HZ1 LYS 101 5.910 7.124 -8.899 836 HZ2 LYS 101 HZ2 LYS 101 6.099 8.489 -7.920 837 HZ3 LYS 101 HZ3 LYS 101 4.676 8.278 -8.813 838 H MET 102 HN MET 102 3.165 8.622 -1.247 839 HA MET 102 HA MET 102 0.708 9.727 -0.045 840 HB2 MET 102 HB2 MET 102 1.700 8.038 1.402 841 HB3 MET 102 HB1 MET 102 3.251 8.859 1.336 842 HG2 MET 102 HG2 MET 102 2.344 10.746 2.520 843 HG3 MET 102 HG1 MET 102 0.738 10.022 2.511 844 HE1 MET 102 HE1 MET 102 4.141 8.100 3.082 845 HE2 MET 102 HE2 MET 102 4.311 8.230 4.832 846 HE3 MET 102 HE3 MET 102 4.430 9.673 3.827 847 H ASP 103 HN ASP 103 0.975 11.612 -1.397 848 HA ASP 103 HA ASP 103 2.754 13.519 -0.042 849 HB2 ASP 103 HB2 ASP 103 2.155 13.317 -2.965 850 HB3 ASP 103 HB1 ASP 103 2.564 14.866 -2.236 851 H GLU 104 HN GLU 104 1.756 15.888 -0.954 852 HA GLU 104 HA GLU 104 -0.941 15.866 0.144 853 HB2 GLU 104 HB2 GLU 104 -0.552 18.424 0.005 854 HB3 GLU 104 HB1 GLU 104 0.210 17.486 1.275 855 HG2 GLU 104 HG2 GLU 104 2.295 17.529 0.180 856 HG3 GLU 104 HG1 GLU 104 1.591 18.171 -1.297 857 H ARG 105 HN ARG 105 0.261 18.228 -2.161 858 HA ARG 105 HA ARG 105 -2.068 17.926 -3.820 859 HB2 ARG 105 HB2 ARG 105 0.386 19.666 -4.124 860 HB3 ARG 105 HB1 ARG 105 -1.026 19.742 -5.167 861 HG2 ARG 105 HG2 ARG 105 -2.379 20.595 -3.465 862 HG3 ARG 105 HG1 ARG 105 -1.248 20.106 -2.202 863 HD2 ARG 105 HD2 ARG 105 -0.661 22.192 -4.295 864 HD3 ARG 105 HD1 ARG 105 -1.261 22.551 -2.677 865 HE ARG 105 HE ARG 105 0.895 21.174 -2.040 866 HH11 ARG 105 HH11 ARG 105 0.497 23.650 -4.483 867 HH12 ARG 105 HH12 ARG 105 2.151 24.163 -4.413 868 HH21 ARG 105 HH21 ARG 105 3.069 21.850 -1.945 869 HH22 ARG 105 HH22 ARG 105 3.618 23.141 -2.966 870 HA PRO 106 HA PRO 106 1.451 15.706 -6.602 871 HB2 PRO 106 HB2 PRO 106 2.970 14.947 -4.132 872 HB3 PRO 106 HB1 PRO 106 3.559 15.192 -5.779 873 HG2 PRO 106 HG2 PRO 106 3.989 17.036 -3.960 874 HG3 PRO 106 HG1 PRO 106 3.480 17.510 -5.594 875 HD2 PRO 106 HD2 PRO 106 1.877 17.363 -3.077 876 HD3 PRO 106 HD1 PRO 106 1.852 18.584 -4.363 877 HA PRO 107 HA PRO 107 0.464 11.261 -6.267 878 HB2 PRO 107 HB2 PRO 107 1.366 11.430 -3.431 879 HB3 PRO 107 HB1 PRO 107 1.213 9.987 -4.430 880 HG2 PRO 107 HG2 PRO 107 3.534 11.348 -4.306 881 HG3 PRO 107 HG1 PRO 107 2.985 10.602 -5.819 882 HD2 PRO 107 HD2 PRO 107 3.287 13.412 -5.222 883 HD3 PRO 107 HD1 PRO 107 2.781 12.667 -6.753 884 H GLN 108 HN GLN 108 -1.476 10.527 -6.186 885 HA GLN 108 HA GLN 108 -3.438 11.302 -4.204 886 HB2 GLN 108 HB2 GLN 108 -3.351 12.402 -7.016 887 HB3 GLN 108 HB1 GLN 108 -4.870 12.260 -6.161 888 HG2 GLN 108 HG2 GLN 108 -3.784 13.654 -4.334 889 HG3 GLN 108 HG1 GLN 108 -2.515 13.990 -5.509 890 HE21 GLN 108 HE21 GLN 108 -5.813 14.524 -4.620 891 HE22 GLN 108 HE22 GLN 108 -6.137 15.775 -5.766 892 HA PRO 109 HA PRO 109 -6.110 7.862 -5.896 893 HB2 PRO 109 HB2 PRO 109 -7.321 9.571 -7.925 894 HB3 PRO 109 HB1 PRO 109 -8.076 8.774 -6.548 895 HG2 PRO 109 HG2 PRO 109 -7.080 11.527 -6.786 896 HG3 PRO 109 HG1 PRO 109 -8.234 10.844 -5.626 897 HD2 PRO 109 HD2 PRO 109 -5.787 11.580 -4.845 898 HD3 PRO 109 HD1 PRO 109 -6.547 10.114 -4.195 899 H LEU 110 HN LEU 110 -4.841 6.508 -7.009 900 HA LEU 110 HA LEU 110 -4.011 7.269 -9.720 901 HB2 LEU 110 HB2 LEU 110 -2.395 6.549 -7.430 902 HB3 LEU 110 HB1 LEU 110 -2.104 5.496 -8.797 903 HG LEU 110 HG LEU 110 -1.892 8.510 -8.856 904 HD11 LEU 110 HD11 LEU 110 -0.127 7.594 -7.501 905 HD12 LEU 110 HD12 LEU 110 0.534 8.087 -9.059 906 HD13 LEU 110 HD13 LEU 110 0.235 6.382 -8.729 907 HD21 LEU 110 HD21 LEU 110 -2.497 7.616 -11.020 908 HD22 LEU 110 HD22 LEU 110 -1.210 6.416 -10.912 909 HD23 LEU 110 HD23 LEU 110 -0.810 8.128 -11.036 910 H ASN 111 HN ASN 111 -5.557 5.078 -7.751 911 HA ASN 111 HA ASN 111 -5.716 3.129 -9.888 912 HB2 ASN 111 HB2 ASN 111 -5.409 2.184 -6.999 913 HB3 ASN 111 HB1 ASN 111 -5.389 1.270 -8.476 914 HD21 ASN 111 HD21 ASN 111 -3.529 0.976 -9.597 915 HD22 ASN 111 HD22 ASN 111 -1.995 1.566 -9.062 916 H LYS 112 HN LYS 112 -7.697 1.656 -9.223 917 HA LYS 112 HA LYS 112 -9.407 3.068 -7.376 918 HB2 LYS 112 HB2 LYS 112 -11.291 2.850 -8.998 919 HB3 LYS 112 HB1 LYS 112 -10.044 3.991 -9.435 920 HG2 LYS 112 HG2 LYS 112 -9.130 2.461 -11.047 921 HG3 LYS 112 HG1 LYS 112 -10.274 1.214 -10.546 922 HD2 LYS 112 HD2 LYS 112 -12.130 2.601 -11.298 923 HD3 LYS 112 HD1 LYS 112 -11.005 3.878 -11.760 924 HE2 LYS 112 HE2 LYS 112 -11.075 1.097 -12.928 925 HE3 LYS 112 HE1 LYS 112 -11.758 2.536 -13.683 926 HZ1 LYS 112 HZ1 LYS 112 -9.536 3.501 -13.747 927 HZ2 LYS 112 HZ2 LYS 112 -9.585 2.035 -14.582 928 HZ3 LYS 112 HZ3 LYS 112 -8.889 2.106 -13.048 929 H TRP 113 HN TRP 113 -10.794 1.816 -6.300 930 HA TRP 113 HA TRP 113 -10.309 -1.001 -6.357 931 HB2 TRP 113 HB2 TRP 113 -11.996 -0.999 -4.508 932 HB3 TRP 113 HB1 TRP 113 -10.530 -0.047 -4.166 933 HD1 TRP 113 HD1 TRP 113 -10.820 2.589 -3.994 934 HE1 TRP 113 HE1 TRP 113 -12.869 4.127 -3.738 935 HE3 TRP 113 HE3 TRP 113 -14.508 -0.757 -5.158 936 HZ2 TRP 113 HZ2 TRP 113 -15.661 3.944 -3.999 937 HZ3 TRP 113 HZ3 TRP 113 -16.844 0.010 -5.128 938 HH2 TRP 113 HH2 TRP 113 -17.408 2.314 -4.560 939 H ARG 114 HN ARG 114 -12.469 -2.295 -5.932 940 HA ARG 114 HA ARG 114 -14.246 -1.701 -8.192 941 HB2 ARG 114 HB2 ARG 114 -12.506 -3.991 -7.619 942 HB3 ARG 114 HB1 ARG 114 -14.103 -4.387 -8.255 943 HG2 ARG 114 HG2 ARG 114 -13.664 -2.880 -10.173 944 HG3 ARG 114 HG1 ARG 114 -12.035 -2.618 -9.549 945 HD2 ARG 114 HD2 ARG 114 -13.107 -5.353 -10.175 946 HD3 ARG 114 HD1 ARG 114 -12.297 -4.356 -11.380 947 HE ARG 114 HE ARG 114 -10.509 -4.360 -9.388 948 HH11 ARG 114 HH11 ARG 114 -12.332 -6.993 -10.806 949 HH12 ARG 114 HH12 ARG 114 -11.044 -8.141 -10.642 950 HH21 ARG 114 HH21 ARG 114 -8.816 -5.874 -9.165 951 HH22 ARG 114 HH22 ARG 114 -9.049 -7.507 -9.701 952 H SER 115 HN SER 115 -15.892 -3.776 -8.101 953 HA SER 115 HA SER 115 -16.767 -4.430 -5.472 954 HB2 SER 115 HB2 SER 115 -19.035 -3.254 -5.837 955 HB3 SER 115 HB1 SER 115 -17.666 -2.271 -5.323 956 HG SER 115 HG SER 115 -17.473 -2.152 -7.855 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 17.413 -0.072 6.454 2 H2 ALA 1 HT2 ALA 1 17.757 -1.681 6.849 3 H3 ALA 1 HT3 ALA 1 16.336 -1.303 6.019 4 HA ALA 1 HA ALA 1 17.995 -2.271 4.557 5 HB1 ALA 1 HB1 ALA 1 16.367 -0.784 3.582 6 HB2 ALA 1 HB2 ALA 1 17.933 -0.493 2.824 7 HB3 ALA 1 HB3 ALA 1 17.321 0.625 4.040 8 H MET 2 HN MET 2 19.809 -2.330 6.266 9 HA MET 2 HA MET 2 21.993 -2.067 6.790 10 HB2 MET 2 HB2 MET 2 22.072 -1.293 3.874 11 HB3 MET 2 HB1 MET 2 23.508 -1.555 4.849 12 HG2 MET 2 HG2 MET 2 23.132 -3.535 3.622 13 HG3 MET 2 HG1 MET 2 22.680 -3.875 5.289 14 HE1 MET 2 HE1 MET 2 21.444 -6.065 4.499 15 HE2 MET 2 HE2 MET 2 21.854 -5.739 2.817 16 HE3 MET 2 HE3 MET 2 20.188 -6.103 3.262 17 H GLY 3 HN GLY 3 21.112 -0.207 8.117 18 HA2 GLY 3 HA2 GLY 3 21.982 1.776 9.065 19 HA3 GLY 3 HA1 GLY 3 22.703 2.173 7.512 20 H CYS 4 HN CYS 4 20.302 1.625 6.032 21 HA CYS 4 HA CYS 4 18.943 4.138 6.382 22 HB2 CYS 4 HB2 CYS 4 18.766 1.879 4.412 23 HB3 CYS 4 HB1 CYS 4 17.576 3.177 4.413 24 H LYS 5 HN LYS 5 16.705 4.383 6.709 25 HA LYS 5 HA LYS 5 15.630 3.169 8.896 26 HB2 LYS 5 HB2 LYS 5 14.158 4.434 6.703 27 HB3 LYS 5 HB1 LYS 5 13.512 4.155 8.291 28 HG2 LYS 5 HG2 LYS 5 15.194 5.687 9.221 29 HG3 LYS 5 HG1 LYS 5 15.787 5.993 7.584 30 HD2 LYS 5 HD2 LYS 5 13.797 7.058 6.938 31 HD3 LYS 5 HD1 LYS 5 12.910 6.432 8.327 32 HE2 LYS 5 HE2 LYS 5 15.232 8.312 8.633 33 HE3 LYS 5 HE1 LYS 5 13.587 8.893 8.371 34 HZ1 LYS 5 HZ1 LYS 5 14.135 8.803 10.723 35 HZ2 LYS 5 HZ2 LYS 5 14.463 7.150 10.612 36 HZ3 LYS 5 HZ3 LYS 5 12.891 7.719 10.360 37 H GLU 6 HN GLU 6 13.597 2.037 9.165 38 HA GLU 6 HA GLU 6 13.144 -0.253 7.553 39 HB2 GLU 6 HB2 GLU 6 11.074 1.103 9.268 40 HB3 GLU 6 HB1 GLU 6 11.242 -0.613 8.903 41 HG2 GLU 6 HG2 GLU 6 13.438 -0.499 10.098 42 HG3 GLU 6 HG1 GLU 6 12.932 1.079 10.681 43 H ILE 7 HN ILE 7 12.270 -0.205 5.569 44 HA ILE 7 HA ILE 7 10.812 2.169 4.724 45 HB ILE 7 HB ILE 7 11.660 -0.263 3.171 46 HG12 ILE 7 HG12 ILE 7 13.525 1.001 3.151 47 HG13 ILE 7 HG11 ILE 7 12.689 1.794 1.838 48 HG21 ILE 7 HG21 ILE 7 10.431 2.106 1.861 49 HG22 ILE 7 HG22 ILE 7 9.396 0.820 2.497 50 HG23 ILE 7 HG23 ILE 7 10.597 0.453 1.254 51 HD11 ILE 7 HD11 ILE 7 11.821 3.435 3.452 52 HD12 ILE 7 HD12 ILE 7 13.576 3.456 3.285 53 HD13 ILE 7 HD13 ILE 7 12.831 2.693 4.691 54 H GLU 8 HN GLU 8 8.803 2.339 5.297 55 HA GLU 8 HA GLU 8 7.237 -0.127 5.555 56 HB2 GLU 8 HB2 GLU 8 5.959 1.808 7.100 57 HB3 GLU 8 HB1 GLU 8 6.907 0.442 7.662 58 HG2 GLU 8 HG2 GLU 8 7.826 2.226 8.784 59 HG3 GLU 8 HG1 GLU 8 8.926 1.998 7.426 60 H ILE 9 HN ILE 9 4.934 0.033 5.213 61 HA ILE 9 HA ILE 9 4.313 1.991 3.166 62 HB ILE 9 HB ILE 9 3.057 -0.059 2.139 63 HG12 ILE 9 HG12 ILE 9 4.627 -1.361 4.085 64 HG13 ILE 9 HG11 ILE 9 3.626 -2.084 2.839 65 HG21 ILE 9 HG21 ILE 9 4.984 -0.330 0.639 66 HG22 ILE 9 HG22 ILE 9 5.952 0.563 1.809 67 HG23 ILE 9 HG23 ILE 9 4.609 1.361 0.986 68 HD11 ILE 9 HD11 ILE 9 6.478 -1.255 2.547 69 HD12 ILE 9 HD12 ILE 9 5.470 -1.990 1.305 70 HD13 ILE 9 HD13 ILE 9 5.893 -2.909 2.753 71 H VAL 10 HN VAL 10 2.255 2.726 3.086 72 HA VAL 10 HA VAL 10 0.635 2.088 5.447 73 HB VAL 10 HB VAL 10 1.025 4.588 3.832 74 HG11 VAL 10 HG11 VAL 10 -1.075 4.119 5.943 75 HG12 VAL 10 HG12 VAL 10 -1.333 4.470 4.231 76 HG13 VAL 10 HG13 VAL 10 -0.620 5.692 5.278 77 HG21 VAL 10 HG21 VAL 10 1.430 3.958 6.742 78 HG22 VAL 10 HG22 VAL 10 1.703 5.525 5.986 79 HG23 VAL 10 HG23 VAL 10 2.686 4.137 5.518 80 H ILE 11 HN ILE 11 -1.335 1.264 5.191 81 HA ILE 11 HA ILE 11 -2.774 1.733 2.680 82 HB ILE 11 HB ILE 11 -3.234 -0.368 4.807 83 HG12 ILE 11 HG12 ILE 11 -1.292 -0.902 3.512 84 HG13 ILE 11 HG11 ILE 11 -2.615 -1.955 3.002 85 HG21 ILE 11 HG21 ILE 11 -5.323 0.392 3.742 86 HG22 ILE 11 HG22 ILE 11 -4.952 -1.300 3.417 87 HG23 ILE 11 HG23 ILE 11 -4.658 -0.080 2.177 88 HD11 ILE 11 HD11 ILE 11 -3.062 -0.368 1.171 89 HD12 ILE 11 HD12 ILE 11 -1.497 -1.179 1.061 90 HD13 ILE 11 HD13 ILE 11 -1.602 0.493 1.634 91 H LYS 12 HN LYS 12 -4.287 3.282 2.825 92 HA LYS 12 HA LYS 12 -5.129 4.084 5.537 93 HB2 LYS 12 HB2 LYS 12 -3.742 5.583 3.726 94 HB3 LYS 12 HB1 LYS 12 -5.399 6.093 3.420 95 HG2 LYS 12 HG2 LYS 12 -5.690 6.758 5.686 96 HG3 LYS 12 HG1 LYS 12 -4.152 6.025 6.133 97 HD2 LYS 12 HD2 LYS 12 -3.728 8.340 6.002 98 HD3 LYS 12 HD1 LYS 12 -3.067 7.652 4.520 99 HE2 LYS 12 HE2 LYS 12 -4.212 9.613 3.878 100 HE3 LYS 12 HE1 LYS 12 -5.248 8.267 3.407 101 HZ1 LYS 12 HZ1 LYS 12 -6.537 8.636 5.442 102 HZ2 LYS 12 HZ2 LYS 12 -6.543 9.993 4.442 103 HZ3 LYS 12 HZ3 LYS 12 -5.565 9.966 5.822 104 H ASN 13 HN ASN 13 -7.198 5.599 5.324 105 HA ASN 13 HA ASN 13 -9.148 3.583 4.517 106 HB2 ASN 13 HB2 ASN 13 -10.628 4.654 6.157 107 HB3 ASN 13 HB1 ASN 13 -9.101 4.176 6.882 108 HD21 ASN 13 HD21 ASN 13 -7.603 5.780 7.435 109 HD22 ASN 13 HD22 ASN 13 -8.085 7.432 7.642 110 H THR 14 HN THR 14 -10.826 3.866 3.317 111 HA THR 14 HA THR 14 -10.782 5.453 1.200 112 HB THR 14 HB THR 14 -13.377 4.560 2.086 113 HG1 THR 14 HG1 THR 14 -11.473 2.696 1.179 114 HG21 THR 14 HG21 THR 14 -13.571 3.863 -0.195 115 HG22 THR 14 HG22 THR 14 -11.848 4.126 -0.453 116 HG23 THR 14 HG23 THR 14 -12.918 5.512 -0.170 117 H LEU 15 HN LEU 15 -13.724 5.863 2.886 118 HA LEU 15 HA LEU 15 -13.580 8.615 2.228 119 HB2 LEU 15 HB2 LEU 15 -15.966 7.048 3.157 120 HB3 LEU 15 HB1 LEU 15 -15.992 8.715 2.673 121 HG LEU 15 HG LEU 15 -15.112 7.968 0.438 122 HD11 LEU 15 HD11 LEU 15 -15.764 5.366 1.719 123 HD12 LEU 15 HD12 LEU 15 -14.228 5.992 1.083 124 HD13 LEU 15 HD13 LEU 15 -15.554 5.600 -0.032 125 HD21 LEU 15 HD21 LEU 15 -17.326 7.254 -0.354 126 HD22 LEU 15 HD22 LEU 15 -17.476 8.596 0.779 127 HD23 LEU 15 HD23 LEU 15 -17.833 6.951 1.308 128 H GLY 16 HN GLY 16 -14.484 6.593 5.068 129 HA2 GLY 16 HA2 GLY 16 -13.826 8.136 7.198 130 HA3 GLY 16 HA1 GLY 16 -15.246 8.973 6.589 131 HA PRO 17 HA PRO 17 -17.556 5.570 8.560 132 HB2 PRO 17 HB2 PRO 17 -20.016 6.164 7.642 133 HB3 PRO 17 HB1 PRO 17 -19.133 7.237 8.731 134 HG2 PRO 17 HG2 PRO 17 -19.789 7.611 5.907 135 HG3 PRO 17 HG1 PRO 17 -19.218 8.800 7.086 136 HD2 PRO 17 HD2 PRO 17 -17.691 7.289 5.083 137 HD3 PRO 17 HD1 PRO 17 -17.212 8.726 6.012 138 H SER 18 HN SER 18 -17.413 3.439 8.045 139 HA SER 18 HA SER 18 -17.790 1.405 7.117 140 HB2 SER 18 HB2 SER 18 -20.008 2.819 5.628 141 HB3 SER 18 HB1 SER 18 -19.831 1.072 5.789 142 HG SER 18 HG SER 18 -19.710 2.282 8.203 143 H ARG 19 HN ARG 19 -15.728 1.389 6.007 144 HA ARG 19 HA ARG 19 -15.933 0.595 3.310 145 HB2 ARG 19 HB2 ARG 19 -15.525 3.324 3.775 146 HB3 ARG 19 HB1 ARG 19 -14.048 2.751 3.107 147 HG2 ARG 19 HG2 ARG 19 -16.787 2.502 1.876 148 HG3 ARG 19 HG1 ARG 19 -15.478 3.578 1.358 149 HD2 ARG 19 HD2 ARG 19 -14.142 1.787 0.676 150 HD3 ARG 19 HD1 ARG 19 -15.166 0.600 1.477 151 HE ARG 19 HE ARG 19 -16.299 2.181 -0.716 152 HH11 ARG 19 HH11 ARG 19 -15.087 -0.873 0.463 153 HH12 ARG 19 HH12 ARG 19 -15.964 -1.828 -0.696 154 HH21 ARG 19 HH21 ARG 19 -17.494 0.926 -2.228 155 HH22 ARG 19 HH22 ARG 19 -17.328 -0.806 -2.225 156 H ILE 20 HN ILE 20 -14.894 -0.106 5.890 157 HA ILE 20 HA ILE 20 -12.097 -0.348 6.014 158 HB ILE 20 HB ILE 20 -14.174 -2.355 6.869 159 HG12 ILE 20 HG12 ILE 20 -12.727 -0.088 8.153 160 HG13 ILE 20 HG11 ILE 20 -14.385 -0.625 8.317 161 HG21 ILE 20 HG21 ILE 20 -12.179 -3.633 6.504 162 HG22 ILE 20 HG22 ILE 20 -12.334 -3.337 8.238 163 HG23 ILE 20 HG23 ILE 20 -11.193 -2.398 7.286 164 HD11 ILE 20 HD11 ILE 20 -12.048 -2.087 9.431 165 HD12 ILE 20 HD12 ILE 20 -13.757 -2.412 9.734 166 HD13 ILE 20 HD13 ILE 20 -13.019 -0.930 10.341 167 H LEU 21 HN LEU 21 -10.763 -1.121 4.495 168 HA LEU 21 HA LEU 21 -11.749 -3.221 2.687 169 HB2 LEU 21 HB2 LEU 21 -9.667 -1.072 2.226 170 HB3 LEU 21 HB1 LEU 21 -10.047 -2.357 1.069 171 HG LEU 21 HG LEU 21 -12.015 -0.268 2.035 172 HD11 LEU 21 HD11 LEU 21 -10.693 -0.466 -0.656 173 HD12 LEU 21 HD12 LEU 21 -10.141 0.609 0.627 174 HD13 LEU 21 HD13 LEU 21 -11.752 0.811 -0.064 175 HD21 LEU 21 HD21 LEU 21 -13.371 -1.103 0.150 176 HD22 LEU 21 HD22 LEU 21 -13.113 -2.317 1.401 177 HD23 LEU 21 HD23 LEU 21 -12.189 -2.388 -0.100 178 H GLN 22 HN GLN 22 -10.604 -5.080 2.478 179 HA GLN 22 HA GLN 22 -8.436 -5.464 4.376 180 HB2 GLN 22 HB2 GLN 22 -10.245 -7.063 4.512 181 HB3 GLN 22 HB1 GLN 22 -10.128 -7.398 2.790 182 HG2 GLN 22 HG2 GLN 22 -7.857 -8.272 3.169 183 HG3 GLN 22 HG1 GLN 22 -8.096 -8.062 4.901 184 HE21 GLN 22 HE21 GLN 22 -9.576 -9.386 5.974 185 HE22 GLN 22 HE22 GLN 22 -10.140 -10.870 5.290 186 H TYR 23 HN TYR 23 -6.391 -5.531 3.716 187 HA TYR 23 HA TYR 23 -5.953 -5.692 0.827 188 HB2 TYR 23 HB2 TYR 23 -3.870 -4.438 1.183 189 HB3 TYR 23 HB1 TYR 23 -5.285 -3.526 1.692 190 HD1 TYR 23 HD1 TYR 23 -5.826 -3.468 4.155 191 HD2 TYR 23 HD2 TYR 23 -2.117 -4.857 2.649 192 HE1 TYR 23 HE1 TYR 23 -4.812 -3.116 6.375 193 HE2 TYR 23 HE2 TYR 23 -1.079 -4.525 4.860 194 HH TYR 23 HH TYR 23 -2.841 -4.048 7.661 195 H HIS 24 HN HIS 24 -4.605 -7.184 0.030 196 HA HIS 24 HA HIS 24 -3.024 -8.756 1.956 197 HB2 HIS 24 HB2 HIS 24 -4.734 -10.093 0.864 198 HB3 HIS 24 HB1 HIS 24 -4.169 -9.587 -0.707 199 HD1 HIS 24 HD1 HIS 24 -1.295 -10.267 1.378 200 HD2 HIS 24 HD2 HIS 24 -3.929 -12.529 -0.916 201 HE1 HIS 24 HE1 HIS 24 -0.153 -12.476 1.011 202 HE2 HIS 24 HE2 HIS 24 -1.845 -13.885 -0.207 203 H CYS 25 HN CYS 25 -1.148 -7.646 1.917 204 HA CYS 25 HA CYS 25 0.100 -7.068 -0.638 205 HB2 CYS 25 HB2 CYS 25 0.123 -5.843 1.888 206 HB3 CYS 25 HB1 CYS 25 1.758 -6.428 1.606 207 H ARG 26 HN ARG 26 1.364 -8.383 -1.595 208 HA ARG 26 HA ARG 26 3.403 -9.889 -0.189 209 HB2 ARG 26 HB2 ARG 26 2.779 -12.058 -1.240 210 HB3 ARG 26 HB1 ARG 26 1.596 -11.497 -0.067 211 HG2 ARG 26 HG2 ARG 26 0.060 -10.899 -1.745 212 HG3 ARG 26 HG1 ARG 26 1.278 -11.018 -3.014 213 HD2 ARG 26 HD2 ARG 26 0.280 -13.342 -1.371 214 HD3 ARG 26 HD1 ARG 26 -0.321 -12.918 -2.973 215 HE ARG 26 HE ARG 26 2.525 -13.276 -2.881 216 HH11 ARG 26 HH11 ARG 26 -0.543 -14.933 -3.212 217 HH12 ARG 26 HH12 ARG 26 0.130 -16.257 -4.105 218 HH21 ARG 26 HH21 ARG 26 3.411 -15.021 -4.047 219 HH22 ARG 26 HH22 ARG 26 2.375 -16.306 -4.580 220 H SER 27 HN SER 27 5.246 -9.573 -1.479 221 HA SER 27 HA SER 27 5.289 -10.562 -4.127 222 HB2 SER 27 HB2 SER 27 6.025 -8.461 -5.268 223 HB3 SER 27 HB1 SER 27 4.319 -8.494 -4.833 224 HG SER 27 HG SER 27 5.561 -6.512 -4.329 225 H GLY 28 HN GLY 28 7.040 -11.744 -3.586 226 HA2 GLY 28 HA2 GLY 28 9.597 -11.219 -3.761 227 HA3 GLY 28 HA1 GLY 28 9.259 -10.442 -2.209 228 H ASN 29 HN ASN 29 9.217 -11.663 -0.417 229 HA ASN 29 HA ASN 29 8.692 -14.484 -0.419 230 HB2 ASN 29 HB2 ASN 29 11.085 -14.283 -1.250 231 HB3 ASN 29 HB1 ASN 29 11.500 -13.652 0.337 232 HD21 ASN 29 HD21 ASN 29 10.421 -16.451 -1.442 233 HD22 ASN 29 HD22 ASN 29 10.820 -17.618 -0.231 234 H THR 30 HN THR 30 7.586 -12.215 0.951 235 HA THR 30 HA THR 30 7.779 -13.318 3.652 236 HB THR 30 HB THR 30 7.521 -10.545 4.102 237 HG1 THR 30 HG1 THR 30 9.802 -11.047 2.481 238 HG21 THR 30 HG21 THR 30 9.988 -12.261 4.391 239 HG22 THR 30 HG22 THR 30 8.627 -12.271 5.512 240 HG23 THR 30 HG23 THR 30 9.590 -10.803 5.304 241 H ASN 31 HN ASN 31 5.723 -14.093 3.647 242 HA ASN 31 HA ASN 31 3.609 -12.494 2.425 243 HB2 ASN 31 HB2 ASN 31 3.894 -14.943 1.922 244 HB3 ASN 31 HB1 ASN 31 3.420 -15.279 3.584 245 HD21 ASN 31 HD21 ASN 31 1.301 -15.193 4.150 246 HD22 ASN 31 HD22 ASN 31 0.021 -14.932 3.013 247 H VAL 32 HN VAL 32 3.231 -10.860 3.896 248 HA VAL 32 HA VAL 32 2.066 -11.706 6.481 249 HB VAL 32 HB VAL 32 4.071 -9.451 6.339 250 HG11 VAL 32 HG11 VAL 32 4.183 -9.789 8.793 251 HG12 VAL 32 HG12 VAL 32 2.872 -10.961 8.651 252 HG13 VAL 32 HG13 VAL 32 2.599 -9.272 8.213 253 HG21 VAL 32 HG21 VAL 32 5.738 -10.920 7.352 254 HG22 VAL 32 HG22 VAL 32 5.255 -11.498 5.757 255 HG23 VAL 32 HG23 VAL 32 4.628 -12.282 7.206 256 H GLY 33 HN GLY 33 1.007 -10.559 3.929 257 HA2 GLY 33 HA2 GLY 33 0.583 -7.763 4.695 258 HA3 GLY 33 HA1 GLY 33 0.583 -8.365 3.051 259 H VAL 34 HN VAL 34 -1.295 -10.290 5.249 260 HA VAL 34 HA VAL 34 -3.657 -9.030 4.030 261 HB VAL 34 HB VAL 34 -3.609 -11.685 5.464 262 HG11 VAL 34 HG11 VAL 34 -5.742 -10.157 3.965 263 HG12 VAL 34 HG12 VAL 34 -5.770 -10.702 5.645 264 HG13 VAL 34 HG13 VAL 34 -5.867 -11.881 4.337 265 HG21 VAL 34 HG21 VAL 34 -3.741 -11.075 2.503 266 HG22 VAL 34 HG22 VAL 34 -3.869 -12.675 3.250 267 HG23 VAL 34 HG23 VAL 34 -2.362 -11.769 3.362 268 H GLN 35 HN GLN 35 -4.536 -7.538 5.156 269 HA GLN 35 HA GLN 35 -5.548 -8.057 7.812 270 HB2 GLN 35 HB2 GLN 35 -3.474 -5.975 7.196 271 HB3 GLN 35 HB1 GLN 35 -4.702 -5.652 8.415 272 HG2 GLN 35 HG2 GLN 35 -4.042 -7.688 9.571 273 HG3 GLN 35 HG1 GLN 35 -2.748 -7.929 8.401 274 HE21 GLN 35 HE21 GLN 35 -1.130 -7.780 9.932 275 HE22 GLN 35 HE22 GLN 35 -0.702 -6.289 10.693 276 H TYR 36 HN TYR 36 -7.096 -6.425 8.419 277 HA TYR 36 HA TYR 36 -8.295 -5.151 6.105 278 HB2 TYR 36 HB2 TYR 36 -10.209 -4.662 7.425 279 HB3 TYR 36 HB1 TYR 36 -9.813 -6.360 7.612 280 HD1 TYR 36 HD1 TYR 36 -8.397 -6.983 9.596 281 HD2 TYR 36 HD2 TYR 36 -10.488 -3.350 9.229 282 HE1 TYR 36 HE1 TYR 36 -8.233 -6.700 12.027 283 HE2 TYR 36 HE2 TYR 36 -10.363 -3.005 11.683 284 HH TYR 36 HH TYR 36 -10.104 -4.481 13.727 285 H LEU 37 HN LEU 37 -8.668 -2.957 5.994 286 HA LEU 37 HA LEU 37 -7.034 -1.404 7.848 287 HB2 LEU 37 HB2 LEU 37 -6.283 -1.124 5.576 288 HB3 LEU 37 HB1 LEU 37 -7.917 -0.878 5.007 289 HG LEU 37 HG LEU 37 -6.335 1.149 5.154 290 HD11 LEU 37 HD11 LEU 37 -9.095 1.204 6.337 291 HD12 LEU 37 HD12 LEU 37 -8.654 1.396 4.639 292 HD13 LEU 37 HD13 LEU 37 -8.192 2.625 5.817 293 HD21 LEU 37 HD21 LEU 37 -6.404 2.322 7.321 294 HD22 LEU 37 HD22 LEU 37 -5.479 0.823 7.376 295 HD23 LEU 37 HD23 LEU 37 -7.108 0.879 8.050 296 H ASN 38 HN ASN 38 -8.205 -0.633 9.436 297 HA ASN 38 HA ASN 38 -11.014 -0.451 9.217 298 HB2 ASN 38 HB2 ASN 38 -11.018 0.590 11.406 299 HB3 ASN 38 HB1 ASN 38 -9.985 -0.821 11.402 300 HD21 ASN 38 HD21 ASN 38 -7.769 -0.573 11.658 301 HD22 ASN 38 HD22 ASN 38 -7.055 0.921 12.162 302 H PHE 39 HN PHE 39 -12.223 1.404 9.622 303 HA PHE 39 HA PHE 39 -11.410 3.238 7.527 304 HB2 PHE 39 HB2 PHE 39 -13.512 1.745 7.576 305 HB3 PHE 39 HB1 PHE 39 -14.145 2.991 8.637 306 HD1 PHE 39 HD1 PHE 39 -11.918 3.537 5.737 307 HD2 PHE 39 HD2 PHE 39 -15.812 3.826 7.328 308 HE1 PHE 39 HE1 PHE 39 -12.615 4.789 3.799 309 HE2 PHE 39 HE2 PHE 39 -16.526 5.065 5.373 310 HZ PHE 39 HZ PHE 39 -14.948 5.546 3.613 311 H LYS 40 HN LYS 40 -10.089 4.493 8.873 312 HA LYS 40 HA LYS 40 -11.190 6.807 9.919 313 HB2 LYS 40 HB2 LYS 40 -12.041 5.158 11.659 314 HB3 LYS 40 HB1 LYS 40 -10.370 4.981 12.158 315 HG2 LYS 40 HG2 LYS 40 -11.553 6.535 13.596 316 HG3 LYS 40 HG1 LYS 40 -10.262 7.348 12.711 317 HD2 LYS 40 HD2 LYS 40 -12.275 8.719 12.750 318 HD3 LYS 40 HD1 LYS 40 -11.909 8.206 11.106 319 HE2 LYS 40 HE2 LYS 40 -14.282 8.019 11.497 320 HE3 LYS 40 HE1 LYS 40 -13.591 6.408 11.327 321 HZ1 LYS 40 HZ1 LYS 40 -15.207 6.640 13.172 322 HZ2 LYS 40 HZ2 LYS 40 -14.137 7.698 13.944 323 HZ3 LYS 40 HZ3 LYS 40 -13.689 6.093 13.670 324 H GLY 41 HN GLY 41 -8.556 4.468 10.091 325 HA2 GLY 41 HA2 GLY 41 -6.687 6.739 10.159 326 HA3 GLY 41 HA1 GLY 41 -6.505 5.441 11.323 327 H THR 42 HN THR 42 -4.477 4.913 10.640 328 HA THR 42 HA THR 42 -4.118 3.931 7.882 329 HB THR 42 HB THR 42 -1.633 3.988 8.759 330 HG1 THR 42 HG1 THR 42 -1.427 5.845 10.206 331 HG21 THR 42 HG21 THR 42 -2.440 5.279 6.884 332 HG22 THR 42 HG22 THR 42 -1.440 6.299 7.922 333 HG23 THR 42 HG23 THR 42 -3.198 6.443 7.975 334 H ARG 43 HN ARG 43 -2.924 2.001 7.567 335 HA ARG 43 HA ARG 43 -2.400 0.333 9.905 336 HB2 ARG 43 HB2 ARG 43 -3.817 -0.498 7.403 337 HB3 ARG 43 HB1 ARG 43 -2.954 -1.665 8.389 338 HG2 ARG 43 HG2 ARG 43 -5.299 0.029 9.224 339 HG3 ARG 43 HG1 ARG 43 -5.286 -1.713 8.954 340 HD2 ARG 43 HD2 ARG 43 -3.757 -0.233 11.094 341 HD3 ARG 43 HD1 ARG 43 -5.220 -1.179 11.337 342 HE ARG 43 HE ARG 43 -3.574 -2.989 10.248 343 HH11 ARG 43 HH11 ARG 43 -3.125 -0.719 12.870 344 HH12 ARG 43 HH12 ARG 43 -2.011 -1.734 13.724 345 HH21 ARG 43 HH21 ARG 43 -2.103 -4.322 11.364 346 HH22 ARG 43 HH22 ARG 43 -1.413 -3.774 12.863 347 H ILE 44 HN ILE 44 -0.265 0.046 9.957 348 HA ILE 44 HA ILE 44 1.091 0.610 7.428 349 HB ILE 44 HB ILE 44 2.129 1.142 10.208 350 HG12 ILE 44 HG12 ILE 44 1.998 3.527 9.045 351 HG13 ILE 44 HG11 ILE 44 0.713 2.744 8.147 352 HG21 ILE 44 HG21 ILE 44 3.806 0.569 8.394 353 HG22 ILE 44 HG22 ILE 44 4.007 2.147 9.163 354 HG23 ILE 44 HG23 ILE 44 3.251 2.033 7.572 355 HD11 ILE 44 HD11 ILE 44 -0.487 2.279 10.186 356 HD12 ILE 44 HD12 ILE 44 -0.109 3.999 10.095 357 HD13 ILE 44 HD13 ILE 44 0.833 2.944 11.148 358 H ILE 45 HN ILE 45 2.091 -0.855 6.524 359 HA ILE 45 HA ILE 45 3.089 -3.227 7.771 360 HB ILE 45 HB ILE 45 3.347 -2.134 5.053 361 HG12 ILE 45 HG12 ILE 45 1.673 -4.365 6.031 362 HG13 ILE 45 HG11 ILE 45 1.116 -2.709 5.885 363 HG21 ILE 45 HG21 ILE 45 4.008 -4.383 4.385 364 HG22 ILE 45 HG22 ILE 45 4.018 -4.860 6.081 365 HG23 ILE 45 HG23 ILE 45 5.169 -3.658 5.495 366 HD11 ILE 45 HD11 ILE 45 2.029 -2.855 3.510 367 HD12 ILE 45 HD12 ILE 45 0.461 -3.587 3.880 368 HD13 ILE 45 HD13 ILE 45 1.903 -4.598 3.758 369 H LYS 46 HN LYS 46 5.368 -3.786 7.756 370 HA LYS 46 HA LYS 46 7.222 -1.844 6.772 371 HB2 LYS 46 HB2 LYS 46 8.354 -1.322 8.876 372 HB3 LYS 46 HB1 LYS 46 6.667 -0.835 8.961 373 HG2 LYS 46 HG2 LYS 46 6.118 -2.743 10.303 374 HG3 LYS 46 HG1 LYS 46 7.747 -3.394 10.113 375 HD2 LYS 46 HD2 LYS 46 8.657 -1.461 11.302 376 HD3 LYS 46 HD1 LYS 46 7.031 -0.802 11.482 377 HE2 LYS 46 HE2 LYS 46 7.969 -3.446 12.593 378 HE3 LYS 46 HE1 LYS 46 7.830 -1.952 13.515 379 HZ1 LYS 46 HZ1 LYS 46 5.581 -3.338 12.159 380 HZ2 LYS 46 HZ2 LYS 46 5.464 -1.935 13.093 381 HZ3 LYS 46 HZ3 LYS 46 5.908 -3.398 13.815 382 H PHE 47 HN PHE 47 9.367 -2.568 6.687 383 HA PHE 47 HA PHE 47 10.252 -4.747 8.295 384 HB2 PHE 47 HB2 PHE 47 9.464 -5.371 5.560 385 HB3 PHE 47 HB1 PHE 47 11.160 -5.737 5.849 386 HD1 PHE 47 HD1 PHE 47 8.781 -7.727 5.294 387 HD2 PHE 47 HD2 PHE 47 10.730 -6.387 8.861 388 HE1 PHE 47 HE1 PHE 47 8.119 -9.780 6.447 389 HE2 PHE 47 HE2 PHE 47 10.068 -8.452 9.992 390 HZ PHE 47 HZ PHE 47 8.762 -10.155 8.792 391 H LYS 48 HN LYS 48 12.426 -4.664 8.632 392 HA LYS 48 HA LYS 48 13.665 -2.265 7.520 393 HB2 LYS 48 HB2 LYS 48 13.236 -2.133 9.852 394 HB3 LYS 48 HB1 LYS 48 14.040 -3.662 10.137 395 HG2 LYS 48 HG2 LYS 48 16.178 -2.656 9.478 396 HG3 LYS 48 HG1 LYS 48 15.362 -1.110 9.238 397 HD2 LYS 48 HD2 LYS 48 14.761 -1.012 11.574 398 HD3 LYS 48 HD1 LYS 48 15.411 -2.628 11.844 399 HE2 LYS 48 HE2 LYS 48 17.032 -0.253 10.947 400 HE3 LYS 48 HE1 LYS 48 16.906 -0.806 12.615 401 HZ1 LYS 48 HZ1 LYS 48 18.033 -2.332 10.332 402 HZ2 LYS 48 HZ2 LYS 48 17.828 -2.950 11.890 403 HZ3 LYS 48 HZ3 LYS 48 18.897 -1.667 11.625 404 H ASP 49 HN ASP 49 13.954 -5.545 7.659 405 HA ASP 49 HA ASP 49 16.874 -5.532 7.411 406 HB2 ASP 49 HB2 ASP 49 15.011 -7.820 8.079 407 HB3 ASP 49 HB1 ASP 49 16.767 -7.930 7.991 408 H ASP 50 HN ASP 50 17.905 -6.258 5.675 409 HA ASP 50 HA ASP 50 18.358 -7.166 3.654 410 HB2 ASP 50 HB2 ASP 50 17.292 -9.182 4.361 411 HB3 ASP 50 HB1 ASP 50 15.717 -8.502 4.002 412 H GLY 51 HN GLY 51 14.932 -6.252 3.668 413 HA2 GLY 51 HA2 GLY 51 13.992 -4.415 2.622 414 HA3 GLY 51 HA1 GLY 51 15.570 -4.022 1.964 415 H THR 52 HN THR 52 15.614 -6.953 0.939 416 HA THR 52 HA THR 52 14.227 -6.312 -1.539 417 HB THR 52 HB THR 52 15.192 -8.507 -2.278 418 HG1 THR 52 HG1 THR 52 16.036 -8.662 0.149 419 HG21 THR 52 HG21 THR 52 16.904 -6.097 -1.767 420 HG22 THR 52 HG22 THR 52 15.886 -6.396 -3.175 421 HG23 THR 52 HG23 THR 52 17.309 -7.392 -2.892 422 H GLU 53 HN GLU 53 14.425 -9.557 -1.277 423 HA GLU 53 HA GLU 53 11.612 -9.858 -1.484 424 HB2 GLU 53 HB2 GLU 53 13.785 -11.930 -1.152 425 HB3 GLU 53 HB1 GLU 53 12.113 -12.279 -1.563 426 HG2 GLU 53 HG2 GLU 53 12.316 -11.080 -3.633 427 HG3 GLU 53 HG1 GLU 53 13.948 -10.564 -3.215 428 H ARG 54 HN ARG 54 13.670 -9.535 1.133 429 HA ARG 54 HA ARG 54 12.133 -11.169 2.969 430 HB2 ARG 54 HB2 ARG 54 14.648 -10.377 3.118 431 HB3 ARG 54 HB1 ARG 54 13.926 -8.996 3.929 432 HG2 ARG 54 HG2 ARG 54 14.700 -10.732 5.488 433 HG3 ARG 54 HG1 ARG 54 12.968 -10.415 5.615 434 HD2 ARG 54 HD2 ARG 54 13.671 -12.851 5.640 435 HD3 ARG 54 HD1 ARG 54 12.417 -12.412 4.482 436 HE ARG 54 HE ARG 54 15.007 -12.266 3.310 437 HH11 ARG 54 HH11 ARG 54 12.554 -14.559 4.302 438 HH12 ARG 54 HH12 ARG 54 12.979 -15.724 3.090 439 HH21 ARG 54 HH21 ARG 54 15.558 -13.787 1.715 440 HH22 ARG 54 HH22 ARG 54 14.704 -15.296 1.635 441 H SER 55 HN SER 55 11.456 -8.422 1.409 442 HA SER 55 HA SER 55 9.382 -7.788 3.339 443 HB2 SER 55 HB2 SER 55 9.704 -5.322 2.716 444 HB3 SER 55 HB1 SER 55 10.914 -6.018 3.792 445 HG SER 55 HG SER 55 11.252 -5.933 0.983 446 H ARG 56 HN ARG 56 8.027 -8.964 2.021 447 HA ARG 56 HA ARG 56 7.804 -8.054 -0.733 448 HB2 ARG 56 HB2 ARG 56 7.524 -10.179 -1.345 449 HB3 ARG 56 HB1 ARG 56 8.209 -10.494 0.223 450 HG2 ARG 56 HG2 ARG 56 6.176 -11.147 1.134 451 HG3 ARG 56 HG1 ARG 56 5.250 -10.338 -0.123 452 HD2 ARG 56 HD2 ARG 56 6.011 -11.977 -1.757 453 HD3 ARG 56 HD1 ARG 56 6.985 -12.771 -0.526 454 HE ARG 56 HE ARG 56 4.225 -12.636 0.198 455 HH11 ARG 56 HH11 ARG 56 6.590 -14.410 -1.668 456 HH12 ARG 56 HH12 ARG 56 5.655 -15.866 -1.724 457 HH21 ARG 56 HH21 ARG 56 2.960 -14.572 0.114 458 HH22 ARG 56 HH22 ARG 56 3.606 -15.960 -0.707 459 H TRP 57 HN TRP 57 6.179 -6.767 -1.232 460 HA TRP 57 HA TRP 57 3.550 -7.240 -0.147 461 HB2 TRP 57 HB2 TRP 57 4.518 -4.451 0.183 462 HB3 TRP 57 HB1 TRP 57 3.271 -5.344 1.027 463 HD1 TRP 57 HD1 TRP 57 7.045 -4.830 0.967 464 HE1 TRP 57 HE1 TRP 57 8.039 -5.658 3.167 465 HE3 TRP 57 HE3 TRP 57 2.839 -6.845 3.063 466 HZ2 TRP 57 HZ2 TRP 57 7.156 -6.932 5.533 467 HZ3 TRP 57 HZ3 TRP 57 3.003 -7.844 5.301 468 HH2 TRP 57 HH2 TRP 57 5.125 -7.886 6.509 469 H ASN 58 HN ASN 58 2.864 -7.500 -2.321 470 HA ASN 58 HA ASN 58 2.170 -4.865 -3.432 471 HB2 ASN 58 HB2 ASN 58 3.090 -6.628 -5.024 472 HB3 ASN 58 HB1 ASN 58 1.651 -7.571 -4.671 473 HD21 ASN 58 HD21 ASN 58 2.548 -6.511 -7.200 474 HD22 ASN 58 HD22 ASN 58 1.285 -5.481 -7.774 475 H CYS 59 HN CYS 59 0.088 -4.161 -2.927 476 HA CYS 59 HA CYS 59 -1.328 -5.982 -1.121 477 HB2 CYS 59 HB2 CYS 59 -1.765 -3.001 -1.515 478 HB3 CYS 59 HB1 CYS 59 -2.597 -4.025 -0.356 479 H LEU 60 HN LEU 60 -3.481 -6.472 -1.303 480 HA LEU 60 HA LEU 60 -4.787 -5.728 -3.818 481 HB2 LEU 60 HB2 LEU 60 -3.694 -8.055 -3.756 482 HB3 LEU 60 HB1 LEU 60 -4.914 -8.474 -2.573 483 HG LEU 60 HG LEU 60 -6.675 -8.068 -4.223 484 HD11 LEU 60 HD11 LEU 60 -5.611 -6.345 -5.554 485 HD12 LEU 60 HD12 LEU 60 -6.081 -7.700 -6.578 486 HD13 LEU 60 HD13 LEU 60 -4.394 -7.495 -6.106 487 HD21 LEU 60 HD21 LEU 60 -5.722 -10.301 -4.011 488 HD22 LEU 60 HD22 LEU 60 -4.493 -9.899 -5.212 489 HD23 LEU 60 HD23 LEU 60 -6.193 -9.971 -5.678 490 H PHE 61 HN PHE 61 -6.728 -4.867 -3.414 491 HA PHE 61 HA PHE 61 -7.586 -4.839 -0.602 492 HB2 PHE 61 HB2 PHE 61 -8.029 -3.063 -2.971 493 HB3 PHE 61 HB1 PHE 61 -9.208 -3.026 -1.683 494 HD1 PHE 61 HD1 PHE 61 -5.609 -3.482 -1.331 495 HD2 PHE 61 HD2 PHE 61 -8.820 -0.751 -0.967 496 HE1 PHE 61 HE1 PHE 61 -4.186 -2.018 -0.054 497 HE2 PHE 61 HE2 PHE 61 -7.394 0.765 0.283 498 HZ PHE 61 HZ PHE 61 -5.157 0.542 0.332 499 H ARG 62 HN ARG 62 -9.213 -6.161 -0.005 500 HA ARG 62 HA ARG 62 -11.389 -6.678 -1.957 501 HB2 ARG 62 HB2 ARG 62 -10.037 -8.698 -1.301 502 HB3 ARG 62 HB1 ARG 62 -10.510 -8.432 0.370 503 HG2 ARG 62 HG2 ARG 62 -12.923 -8.587 -0.518 504 HG3 ARG 62 HG1 ARG 62 -12.187 -9.317 -1.944 505 HD2 ARG 62 HD2 ARG 62 -11.863 -10.294 0.890 506 HD3 ARG 62 HD1 ARG 62 -12.957 -10.982 -0.303 507 HE ARG 62 HE ARG 62 -10.025 -10.969 -0.615 508 HH11 ARG 62 HH11 ARG 62 -13.142 -12.548 -0.891 509 HH12 ARG 62 HH12 ARG 62 -12.484 -14.016 -1.538 510 HH21 ARG 62 HH21 ARG 62 -9.160 -12.902 -1.481 511 HH22 ARG 62 HH22 ARG 62 -10.222 -14.218 -1.868 512 H GLN 63 HN GLN 63 -13.570 -7.053 -0.720 513 HA GLN 63 HA GLN 63 -13.576 -6.037 2.005 514 HB2 GLN 63 HB2 GLN 63 -14.074 -4.180 0.237 515 HB3 GLN 63 HB1 GLN 63 -15.649 -4.952 0.139 516 HG2 GLN 63 HG2 GLN 63 -14.415 -3.867 2.662 517 HG3 GLN 63 HG1 GLN 63 -15.593 -3.020 1.666 518 HE21 GLN 63 HE21 GLN 63 -17.723 -3.715 1.655 519 HE22 GLN 63 HE22 GLN 63 -18.357 -4.762 2.876 520 H GLY 64 HN GLY 64 -16.077 -6.750 -0.418 521 HA2 GLY 64 HA2 GLY 64 -17.060 -8.920 1.303 522 HA3 GLY 64 HA1 GLY 64 -18.119 -7.556 0.961 523 H ILE 65 HN ILE 65 -19.006 -7.292 -0.971 524 HA ILE 65 HA ILE 65 -19.885 -9.468 -2.373 525 HB ILE 65 HB ILE 65 -21.040 -7.368 -2.413 526 HG12 ILE 65 HG12 ILE 65 -21.430 -7.099 -4.876 527 HG13 ILE 65 HG11 ILE 65 -20.093 -8.206 -5.160 528 HG21 ILE 65 HG21 ILE 65 -18.806 -6.305 -4.121 529 HG22 ILE 65 HG22 ILE 65 -18.916 -6.086 -2.367 530 HG23 ILE 65 HG23 ILE 65 -20.169 -5.413 -3.421 531 HD11 ILE 65 HD11 ILE 65 -21.290 -9.983 -4.046 532 HD12 ILE 65 HD12 ILE 65 -22.273 -9.298 -5.339 533 HD13 ILE 65 HD13 ILE 65 -22.610 -8.881 -3.659 534 H ASN 66 HN ASN 66 -18.820 -10.880 -3.778 535 HA ASN 66 HA ASN 66 -16.615 -9.691 -5.298 536 HB2 ASN 66 HB2 ASN 66 -17.667 -12.519 -5.070 537 HB3 ASN 66 HB1 ASN 66 -16.442 -12.062 -6.246 538 HD21 ASN 66 HD21 ASN 66 -15.013 -13.527 -5.288 539 HD22 ASN 66 HD22 ASN 66 -14.214 -13.170 -3.797 540 H MET 67 HN MET 67 -18.595 -8.336 -6.034 541 HA MET 67 HA MET 67 -19.205 -9.299 -8.737 542 HB2 MET 67 HB2 MET 67 -21.104 -8.332 -7.479 543 HB3 MET 67 HB1 MET 67 -20.200 -6.840 -7.274 544 HG2 MET 67 HG2 MET 67 -20.164 -6.601 -9.749 545 HG3 MET 67 HG1 MET 67 -21.220 -8.007 -9.850 546 HE1 MET 67 HE1 MET 67 -24.458 -6.751 -8.058 547 HE2 MET 67 HE2 MET 67 -23.116 -7.635 -7.333 548 HE3 MET 67 HE3 MET 67 -23.698 -8.077 -8.938 549 H LYS 68 HN LYS 68 -17.829 -6.763 -6.828 550 HA LYS 68 HA LYS 68 -16.452 -5.544 -9.128 551 HB2 LYS 68 HB2 LYS 68 -18.036 -4.281 -6.873 552 HB3 LYS 68 HB1 LYS 68 -16.992 -3.359 -7.963 553 HG2 LYS 68 HG2 LYS 68 -18.388 -3.972 -9.854 554 HG3 LYS 68 HG1 LYS 68 -19.398 -4.967 -8.802 555 HD2 LYS 68 HD2 LYS 68 -20.040 -3.000 -7.526 556 HD3 LYS 68 HD1 LYS 68 -18.990 -1.991 -8.521 557 HE2 LYS 68 HE2 LYS 68 -20.338 -2.458 -10.474 558 HE3 LYS 68 HE1 LYS 68 -21.343 -3.573 -9.548 559 HZ1 LYS 68 HZ1 LYS 68 -22.364 -1.379 -9.826 560 HZ2 LYS 68 HZ2 LYS 68 -21.078 -0.668 -8.992 561 HZ3 LYS 68 HZ3 LYS 68 -22.104 -1.753 -8.199 562 H PHE 69 HN PHE 69 -15.131 -7.315 -7.454 563 HA PHE 69 HA PHE 69 -14.263 -5.826 -5.091 564 HB2 PHE 69 HB2 PHE 69 -13.779 -7.977 -4.093 565 HB3 PHE 69 HB1 PHE 69 -15.412 -7.998 -4.764 566 HD1 PHE 69 HD1 PHE 69 -12.424 -9.807 -4.501 567 HD2 PHE 69 HD2 PHE 69 -15.515 -8.877 -7.272 568 HE1 PHE 69 HE1 PHE 69 -11.877 -11.830 -5.783 569 HE2 PHE 69 HE2 PHE 69 -14.969 -10.898 -8.563 570 HZ PHE 69 HZ PHE 69 -13.102 -12.367 -7.814 571 H PHE 70 HN PHE 70 -12.150 -5.626 -4.490 572 HA PHE 70 HA PHE 70 -9.933 -6.079 -4.338 573 HB2 PHE 70 HB2 PHE 70 -10.665 -7.951 -6.368 574 HB3 PHE 70 HB1 PHE 70 -9.026 -7.401 -6.489 575 HD1 PHE 70 HD1 PHE 70 -8.479 -7.001 -3.612 576 HD2 PHE 70 HD2 PHE 70 -10.328 -10.204 -5.683 577 HE1 PHE 70 HE1 PHE 70 -7.766 -8.503 -1.884 578 HE2 PHE 70 HE2 PHE 70 -9.616 -11.746 -3.941 579 HZ PHE 70 HZ PHE 70 -8.316 -10.917 -2.011 580 H THR 71 HN THR 71 -8.405 -4.861 -4.717 581 HA THR 71 HA THR 71 -7.839 -3.764 -7.346 582 HB THR 71 HB THR 71 -9.275 -2.050 -6.002 583 HG1 THR 71 HG1 THR 71 -8.492 -0.838 -7.529 584 HG21 THR 71 HG21 THR 71 -7.315 -0.505 -4.917 585 HG22 THR 71 HG22 THR 71 -6.767 -2.119 -4.453 586 HG23 THR 71 HG23 THR 71 -8.370 -1.557 -3.978 587 H GLU 72 HN GLU 72 -5.719 -3.333 -7.691 588 HA GLU 72 HA GLU 72 -4.051 -4.546 -5.620 589 HB2 GLU 72 HB2 GLU 72 -4.065 -5.884 -7.574 590 HB3 GLU 72 HB1 GLU 72 -3.893 -4.490 -8.627 591 HG2 GLU 72 HG2 GLU 72 -1.612 -4.214 -8.009 592 HG3 GLU 72 HG1 GLU 72 -1.761 -5.401 -6.714 593 H VAL 73 HN VAL 73 -2.811 -3.205 -4.545 594 HA VAL 73 HA VAL 73 -1.792 -0.810 -5.903 595 HB VAL 73 HB VAL 73 -1.912 -0.591 -3.003 596 HG11 VAL 73 HG11 VAL 73 -2.830 1.123 -5.302 597 HG12 VAL 73 HG12 VAL 73 -1.321 1.271 -4.401 598 HG13 VAL 73 HG13 VAL 73 -2.859 1.617 -3.612 599 HG21 VAL 73 HG21 VAL 73 -4.379 -0.058 -3.051 600 HG22 VAL 73 HG22 VAL 73 -3.943 -1.770 -3.100 601 HG23 VAL 73 HG23 VAL 73 -4.430 -0.937 -4.583 602 H GLU 74 HN GLU 74 0.386 -0.758 -6.015 603 HA GLU 74 HA GLU 74 1.809 -2.942 -4.803 604 HB2 GLU 74 HB2 GLU 74 2.680 -0.784 -6.714 605 HB3 GLU 74 HB1 GLU 74 3.681 -2.127 -6.197 606 HG2 GLU 74 HG2 GLU 74 1.945 -3.669 -7.115 607 HG3 GLU 74 HG1 GLU 74 1.153 -2.251 -7.801 608 H ALA 75 HN ALA 75 1.945 -2.460 -2.624 609 HA ALA 75 HA ALA 75 2.928 -0.130 -1.447 610 HB1 ALA 75 HB1 ALA 75 3.285 -1.414 0.496 611 HB2 ALA 75 HB2 ALA 75 3.507 -2.894 -0.434 612 HB3 ALA 75 HB3 ALA 75 1.904 -2.158 -0.314 613 H TYR 76 HN TYR 76 4.611 -3.043 -2.509 614 HA TYR 76 HA TYR 76 7.112 -1.501 -2.622 615 HB2 TYR 76 HB2 TYR 76 7.074 -2.983 -0.649 616 HB3 TYR 76 HB1 TYR 76 6.783 -4.364 -1.703 617 HD1 TYR 76 HD1 TYR 76 8.559 -5.399 -2.904 618 HD2 TYR 76 HD2 TYR 76 9.278 -1.783 -0.767 619 HE1 TYR 76 HE1 TYR 76 10.962 -5.699 -3.224 620 HE2 TYR 76 HE2 TYR 76 11.690 -2.083 -1.082 621 HH TYR 76 HH TYR 76 13.249 -4.139 -1.478 622 H ARG 77 HN ARG 77 8.495 -2.068 -4.355 623 HA ARG 77 HA ARG 77 7.338 -3.820 -6.405 624 HB2 ARG 77 HB2 ARG 77 8.209 -0.956 -6.852 625 HB3 ARG 77 HB1 ARG 77 7.738 -2.078 -8.118 626 HG2 ARG 77 HG2 ARG 77 5.488 -2.197 -7.172 627 HG3 ARG 77 HG1 ARG 77 5.964 -1.058 -5.910 628 HD2 ARG 77 HD2 ARG 77 4.797 0.135 -7.643 629 HD3 ARG 77 HD1 ARG 77 6.498 0.597 -7.672 630 HE ARG 77 HE ARG 77 5.850 -1.546 -9.477 631 HH11 ARG 77 HH11 ARG 77 5.999 1.923 -9.078 632 HH12 ARG 77 HH12 ARG 77 6.108 2.246 -10.777 633 HH21 ARG 77 HH21 ARG 77 5.979 -1.128 -11.722 634 HH22 ARG 77 HH22 ARG 77 6.087 0.507 -12.285 635 HA PRO 78 HA PRO 78 11.646 -4.808 -7.222 636 HB2 PRO 78 HB2 PRO 78 11.476 -5.640 -9.766 637 HB3 PRO 78 HB1 PRO 78 10.856 -6.601 -8.422 638 HG2 PRO 78 HG2 PRO 78 9.369 -4.815 -10.311 639 HG3 PRO 78 HG1 PRO 78 8.936 -6.434 -9.730 640 HD2 PRO 78 HD2 PRO 78 7.870 -4.165 -8.687 641 HD3 PRO 78 HD1 PRO 78 8.126 -5.635 -7.726 642 H ASP 79 HN ASP 79 10.235 -2.140 -8.033 643 HA ASP 79 HA ASP 79 12.010 -1.119 -10.069 644 HB2 ASP 79 HB2 ASP 79 9.519 -0.502 -9.757 645 HB3 ASP 79 HB1 ASP 79 10.091 0.496 -8.432 646 H LEU 80 HN LEU 80 12.693 1.367 -9.312 647 HA LEU 80 HA LEU 80 14.838 1.087 -7.560 648 HB2 LEU 80 HB2 LEU 80 14.525 2.871 -9.268 649 HB3 LEU 80 HB1 LEU 80 13.369 3.619 -8.191 650 HG LEU 80 HG LEU 80 15.188 3.884 -6.502 651 HD11 LEU 80 HD11 LEU 80 17.500 3.655 -7.245 652 HD12 LEU 80 HD12 LEU 80 16.945 2.997 -8.784 653 HD13 LEU 80 HD13 LEU 80 16.657 2.107 -7.289 654 HD21 LEU 80 HD21 LEU 80 16.277 5.753 -7.650 655 HD22 LEU 80 HD22 LEU 80 14.538 5.732 -7.939 656 HD23 LEU 80 HD23 LEU 80 15.646 5.170 -9.190 657 H LYS 81 HN LYS 81 11.720 0.917 -6.712 658 HA LYS 81 HA LYS 81 11.655 2.236 -4.196 659 HB2 LYS 81 HB2 LYS 81 9.637 1.547 -5.455 660 HB3 LYS 81 HB1 LYS 81 10.047 -0.135 -5.172 661 HG2 LYS 81 HG2 LYS 81 8.309 0.590 -3.653 662 HG3 LYS 81 HG1 LYS 81 9.785 0.214 -2.762 663 HD2 LYS 81 HD2 LYS 81 10.327 2.614 -2.690 664 HD3 LYS 81 HD1 LYS 81 8.818 2.966 -3.536 665 HE2 LYS 81 HE2 LYS 81 9.081 1.645 -0.837 666 HE3 LYS 81 HE1 LYS 81 8.584 3.311 -1.132 667 HZ1 LYS 81 HZ1 LYS 81 6.665 1.939 -0.761 668 HZ2 LYS 81 HZ2 LYS 81 7.127 0.864 -1.976 669 HZ3 LYS 81 HZ3 LYS 81 6.668 2.437 -2.377 670 H HIS 82 HN HIS 82 13.448 -0.309 -5.290 671 HA HIS 82 HA HIS 82 13.637 -2.153 -3.244 672 HB2 HIS 82 HB2 HIS 82 15.513 -1.059 -5.278 673 HB3 HIS 82 HB1 HIS 82 16.214 -1.998 -3.966 674 HD1 HIS 82 HD1 HIS 82 13.986 -2.323 -6.989 675 HD2 HIS 82 HD2 HIS 82 15.652 -4.717 -4.009 676 HE1 HIS 82 HE1 HIS 82 13.686 -4.701 -7.762 677 HE2 HIS 82 HE2 HIS 82 14.788 -6.122 -5.999 678 HA PRO 83 HA PRO 83 14.637 -0.871 0.608 679 HB2 PRO 83 HB2 PRO 83 17.482 -1.246 0.811 680 HB3 PRO 83 HB1 PRO 83 16.191 -2.233 1.488 681 HG2 PRO 83 HG2 PRO 83 17.738 -2.606 -0.995 682 HG3 PRO 83 HG1 PRO 83 16.873 -3.804 -0.016 683 HD2 PRO 83 HD2 PRO 83 15.957 -3.037 -2.412 684 HD3 PRO 83 HD1 PRO 83 14.847 -3.376 -1.068 685 H LEU 84 HN LEU 84 14.434 1.182 1.040 686 HA LEU 84 HA LEU 84 16.579 3.070 0.334 687 HB2 LEU 84 HB2 LEU 84 13.615 3.453 0.692 688 HB3 LEU 84 HB1 LEU 84 14.720 4.804 0.704 689 HG LEU 84 HG LEU 84 14.110 4.935 -1.453 690 HD11 LEU 84 HD11 LEU 84 16.480 4.424 -1.546 691 HD12 LEU 84 HD12 LEU 84 15.635 3.836 -2.977 692 HD13 LEU 84 HD13 LEU 84 16.111 2.707 -1.707 693 HD21 LEU 84 HD21 LEU 84 13.610 1.971 -1.462 694 HD22 LEU 84 HD22 LEU 84 13.295 3.064 -2.809 695 HD23 LEU 84 HD23 LEU 84 12.403 3.245 -1.299 696 H CYS 85 HN CYS 85 15.985 5.160 1.946 697 HA CYS 85 HA CYS 85 15.810 4.057 4.632 698 HB2 CYS 85 HB2 CYS 85 17.101 6.629 4.572 699 HB3 CYS 85 HB1 CYS 85 17.674 5.123 5.254 700 H GLY 86 HN GLY 86 15.367 6.940 2.872 701 HA2 GLY 86 HA2 GLY 86 13.450 7.941 4.821 702 HA3 GLY 86 HA1 GLY 86 14.168 8.871 3.520 703 H LYS 87 HN LYS 87 12.738 5.775 2.757 704 HA LYS 87 HA LYS 87 10.647 7.281 1.349 705 HB2 LYS 87 HB2 LYS 87 12.095 4.766 0.601 706 HB3 LYS 87 HB1 LYS 87 10.552 5.179 -0.130 707 HG2 LYS 87 HG2 LYS 87 13.058 6.857 -0.224 708 HG3 LYS 87 HG1 LYS 87 12.393 5.892 -1.545 709 HD2 LYS 87 HD2 LYS 87 10.396 7.269 -1.584 710 HD3 LYS 87 HD1 LYS 87 10.981 8.199 -0.208 711 HE2 LYS 87 HE2 LYS 87 12.941 8.878 -1.583 712 HE3 LYS 87 HE1 LYS 87 12.191 8.074 -2.963 713 HZ1 LYS 87 HZ1 LYS 87 11.727 10.450 -2.940 714 HZ2 LYS 87 HZ2 LYS 87 10.996 10.315 -1.421 715 HZ3 LYS 87 HZ3 LYS 87 10.301 9.557 -2.765 716 H ARG 88 HN ARG 88 8.627 6.954 1.723 717 HA ARG 88 HA ARG 88 7.679 4.364 2.656 718 HB2 ARG 88 HB2 ARG 88 6.112 5.602 4.247 719 HB3 ARG 88 HB1 ARG 88 7.788 5.433 4.746 720 HG2 ARG 88 HG2 ARG 88 8.212 7.735 3.942 721 HG3 ARG 88 HG1 ARG 88 6.490 7.885 3.586 722 HD2 ARG 88 HD2 ARG 88 7.155 8.857 5.775 723 HD3 ARG 88 HD1 ARG 88 5.922 7.606 5.894 724 HE ARG 88 HE ARG 88 7.822 6.071 6.498 725 HH11 ARG 88 HH11 ARG 88 8.041 9.525 7.088 726 HH12 ARG 88 HH12 ARG 88 9.108 9.348 8.441 727 HH21 ARG 88 HH21 ARG 88 9.215 5.848 8.274 728 HH22 ARG 88 HH22 ARG 88 9.775 7.254 9.121 729 H TYR 89 HN TYR 89 5.399 4.039 2.179 730 HA TYR 89 HA TYR 89 4.478 5.843 0.044 731 HB2 TYR 89 HB2 TYR 89 5.657 3.373 -0.383 732 HB3 TYR 89 HB1 TYR 89 3.935 3.030 -0.486 733 HD1 TYR 89 HD1 TYR 89 2.550 4.187 -2.198 734 HD2 TYR 89 HD2 TYR 89 6.782 4.575 -2.098 735 HE1 TYR 89 HE1 TYR 89 2.524 5.013 -4.514 736 HE2 TYR 89 HE2 TYR 89 6.769 5.402 -4.412 737 HH TYR 89 HH TYR 89 5.218 5.174 -6.440 738 H GLU 90 HN GLU 90 2.500 6.532 0.527 739 HA GLU 90 HA GLU 90 0.668 4.856 2.022 740 HB2 GLU 90 HB2 GLU 90 0.741 7.162 2.702 741 HB3 GLU 90 HB1 GLU 90 0.495 7.709 1.048 742 HG2 GLU 90 HG2 GLU 90 -1.739 6.553 1.115 743 HG3 GLU 90 HG1 GLU 90 -1.479 6.328 2.845 744 H LEU 91 HN LEU 91 -0.568 3.481 0.984 745 HA LEU 91 HA LEU 91 -1.826 4.403 -1.506 746 HB2 LEU 91 HB2 LEU 91 -2.513 1.703 -0.990 747 HB3 LEU 91 HB1 LEU 91 -1.611 2.351 -2.339 748 HG LEU 91 HG LEU 91 -0.298 1.549 0.266 749 HD11 LEU 91 HD11 LEU 91 -0.277 0.002 -2.310 750 HD12 LEU 91 HD12 LEU 91 -1.386 -0.351 -0.984 751 HD13 LEU 91 HD13 LEU 91 0.356 -0.491 -0.740 752 HD21 LEU 91 HD21 LEU 91 0.851 2.119 -2.467 753 HD22 LEU 91 HD22 LEU 91 1.759 1.624 -1.039 754 HD23 LEU 91 HD23 LEU 91 0.947 3.189 -1.069 755 H SER 92 HN SER 92 -3.604 5.405 -0.951 756 HA SER 92 HA SER 92 -5.004 4.479 1.462 757 HB2 SER 92 HB2 SER 92 -5.824 6.938 1.452 758 HB3 SER 92 HB1 SER 92 -4.156 6.631 1.933 759 HG SER 92 HG SER 92 -3.605 7.922 0.395 760 H ALA 93 HN ALA 93 -7.147 4.205 1.456 761 HA ALA 93 HA ALA 93 -8.360 4.157 -1.155 762 HB1 ALA 93 HB1 ALA 93 -9.664 3.487 1.460 763 HB2 ALA 93 HB2 ALA 93 -8.505 2.401 0.689 764 HB3 ALA 93 HB3 ALA 93 -9.990 2.841 -0.169 765 H ARG 94 HN ARG 94 -10.201 5.445 -1.625 766 HA ARG 94 HA ARG 94 -11.357 7.317 0.278 767 HB2 ARG 94 HB2 ARG 94 -9.287 8.265 -1.710 768 HB3 ARG 94 HB1 ARG 94 -10.655 9.291 -1.341 769 HG2 ARG 94 HG2 ARG 94 -9.988 9.566 0.890 770 HG3 ARG 94 HG1 ARG 94 -8.866 8.207 0.809 771 HD2 ARG 94 HD2 ARG 94 -7.380 9.420 -0.603 772 HD3 ARG 94 HD1 ARG 94 -8.555 10.712 -0.833 773 HE ARG 94 HE ARG 94 -8.250 11.181 1.596 774 HH11 ARG 94 HH11 ARG 94 -5.716 9.479 -0.130 775 HH12 ARG 94 HH12 ARG 94 -4.443 10.118 0.858 776 HH21 ARG 94 HH21 ARG 94 -6.575 12.031 2.884 777 HH22 ARG 94 HH22 ARG 94 -4.930 11.580 2.559 778 H MET 95 HN MET 95 -13.205 7.518 -0.201 779 HA MET 95 HA MET 95 -15.175 7.384 -1.518 780 HB2 MET 95 HB2 MET 95 -14.087 10.051 -2.326 781 HB3 MET 95 HB1 MET 95 -15.673 9.639 -1.678 782 HG2 MET 95 HG2 MET 95 -15.007 9.861 0.441 783 HG3 MET 95 HG1 MET 95 -13.456 9.063 0.136 784 HE1 MET 95 HE1 MET 95 -13.541 11.325 2.204 785 HE2 MET 95 HE2 MET 95 -12.200 12.360 1.715 786 HE3 MET 95 HE3 MET 95 -12.030 10.605 1.653 787 H ASP 96 HN ASP 96 -12.826 9.175 -3.531 788 HA ASP 96 HA ASP 96 -14.160 8.396 -5.961 789 HB2 ASP 96 HB2 ASP 96 -13.236 10.666 -5.663 790 HB3 ASP 96 HB1 ASP 96 -11.617 9.984 -5.557 791 H ALA 97 HN ALA 97 -10.737 8.097 -4.909 792 HA ALA 97 HA ALA 97 -10.616 5.481 -6.216 793 HB1 ALA 97 HB1 ALA 97 -8.414 6.112 -7.294 794 HB2 ALA 97 HB2 ALA 97 -8.823 7.799 -6.905 795 HB3 ALA 97 HB3 ALA 97 -9.861 6.878 -7.991 796 H ILE 98 HN ILE 98 -8.354 4.590 -5.951 797 HA ILE 98 HA ILE 98 -7.430 4.880 -3.205 798 HB ILE 98 HB ILE 98 -6.831 2.903 -5.419 799 HG12 ILE 98 HG12 ILE 98 -8.927 3.009 -3.732 800 HG13 ILE 98 HG11 ILE 98 -8.224 1.482 -4.270 801 HG21 ILE 98 HG21 ILE 98 -4.743 3.402 -4.114 802 HG22 ILE 98 HG22 ILE 98 -5.307 1.749 -3.872 803 HG23 ILE 98 HG23 ILE 98 -5.583 2.961 -2.620 804 HD11 ILE 98 HD11 ILE 98 -7.558 0.973 -2.229 805 HD12 ILE 98 HD12 ILE 98 -8.696 2.257 -1.730 806 HD13 ILE 98 HD13 ILE 98 -6.979 2.632 -1.925 807 H TYR 99 HN TYR 99 -5.750 6.080 -2.739 808 HA TYR 99 HA TYR 99 -4.427 7.479 -4.935 809 HB2 TYR 99 HB2 TYR 99 -4.579 7.980 -1.959 810 HB3 TYR 99 HB1 TYR 99 -3.524 8.905 -3.021 811 HD1 TYR 99 HD1 TYR 99 -7.092 7.756 -3.168 812 HD2 TYR 99 HD2 TYR 99 -4.361 10.998 -3.501 813 HE1 TYR 99 HE1 TYR 99 -8.958 9.267 -3.697 814 HE2 TYR 99 HE2 TYR 99 -6.218 12.516 -4.029 815 HH TYR 99 HH TYR 99 -9.484 11.651 -3.595 816 H PHE 100 HN PHE 100 -2.254 7.381 -5.335 817 HA PHE 100 HA PHE 100 -0.708 5.426 -3.778 818 HB2 PHE 100 HB2 PHE 100 -1.776 4.284 -5.689 819 HB3 PHE 100 HB1 PHE 100 -1.032 5.436 -6.787 820 HD1 PHE 100 HD1 PHE 100 0.997 4.931 -7.760 821 HD2 PHE 100 HD2 PHE 100 -0.160 2.896 -4.210 822 HE1 PHE 100 HE1 PHE 100 2.980 3.489 -7.943 823 HE2 PHE 100 HE2 PHE 100 1.816 1.444 -4.390 824 HZ PHE 100 HZ PHE 100 3.332 1.673 -6.329 825 H LYS 101 HN LYS 101 0.544 7.177 -2.960 826 HA LYS 101 HA LYS 101 2.735 7.779 -4.747 827 HB2 LYS 101 HB2 LYS 101 1.153 9.692 -5.062 828 HB3 LYS 101 HB1 LYS 101 1.339 10.061 -3.351 829 HG2 LYS 101 HG2 LYS 101 3.629 10.599 -3.618 830 HG3 LYS 101 HG1 LYS 101 3.658 9.948 -5.254 831 HD2 LYS 101 HD2 LYS 101 2.051 12.341 -4.378 832 HD3 LYS 101 HD1 LYS 101 3.618 12.417 -5.187 833 HE2 LYS 101 HE2 LYS 101 2.636 11.170 -7.093 834 HE3 LYS 101 HE1 LYS 101 1.068 11.251 -6.292 835 HZ1 LYS 101 HZ1 LYS 101 2.686 13.573 -7.180 836 HZ2 LYS 101 HZ2 LYS 101 1.196 13.670 -6.386 837 HZ3 LYS 101 HZ3 LYS 101 1.290 12.992 -7.935 838 H MET 102 HN MET 102 4.645 8.271 -3.697 839 HA MET 102 HA MET 102 4.952 7.412 -1.015 840 HB2 MET 102 HB2 MET 102 7.283 8.362 -1.290 841 HB3 MET 102 HB1 MET 102 6.818 7.135 -2.458 842 HG2 MET 102 HG2 MET 102 6.287 8.950 -4.067 843 HG3 MET 102 HG1 MET 102 6.915 10.110 -2.898 844 HE1 MET 102 HE1 MET 102 8.502 10.913 -5.021 845 HE2 MET 102 HE2 MET 102 7.845 9.595 -5.990 846 HE3 MET 102 HE3 MET 102 9.591 9.801 -5.850 847 H ASP 103 HN ASP 103 5.400 8.601 0.837 848 HA ASP 103 HA ASP 103 3.828 10.887 1.197 849 HB2 ASP 103 HB2 ASP 103 5.954 9.637 2.899 850 HB3 ASP 103 HB1 ASP 103 5.103 11.093 3.392 851 H GLU 104 HN GLU 104 4.683 12.884 2.317 852 HA GLU 104 HA GLU 104 5.717 14.875 2.166 853 HB2 GLU 104 HB2 GLU 104 7.789 13.420 2.375 854 HB3 GLU 104 HB1 GLU 104 7.938 13.601 0.639 855 HG2 GLU 104 HG2 GLU 104 9.344 15.187 1.828 856 HG3 GLU 104 HG1 GLU 104 8.102 16.003 0.880 857 H ARG 105 HN ARG 105 4.440 13.178 -0.206 858 HA ARG 105 HA ARG 105 4.357 15.471 -2.021 859 HB2 ARG 105 HB2 ARG 105 4.779 12.599 -2.886 860 HB3 ARG 105 HB1 ARG 105 4.491 13.952 -3.969 861 HG2 ARG 105 HG2 ARG 105 6.577 14.985 -3.246 862 HG3 ARG 105 HG1 ARG 105 6.865 13.637 -2.145 863 HD2 ARG 105 HD2 ARG 105 8.144 13.365 -4.192 864 HD3 ARG 105 HD1 ARG 105 6.923 12.102 -4.049 865 HE ARG 105 HE ARG 105 5.587 13.705 -5.579 866 HH11 ARG 105 HH11 ARG 105 9.044 13.169 -5.717 867 HH12 ARG 105 HH12 ARG 105 9.150 13.484 -7.418 868 HH21 ARG 105 HH21 ARG 105 5.722 14.108 -7.817 869 HH22 ARG 105 HH22 ARG 105 7.262 14.017 -8.613 870 HA PRO 106 HA PRO 106 0.032 14.745 -1.505 871 HB2 PRO 106 HB2 PRO 106 -0.361 15.846 -4.215 872 HB3 PRO 106 HB1 PRO 106 -0.959 16.440 -2.664 873 HG2 PRO 106 HG2 PRO 106 0.991 17.710 -3.979 874 HG3 PRO 106 HG1 PRO 106 0.980 17.606 -2.209 875 HD2 PRO 106 HD2 PRO 106 2.585 16.037 -4.191 876 HD3 PRO 106 HD1 PRO 106 3.078 16.723 -2.629 877 HA PRO 107 HA PRO 107 -0.309 10.808 -3.686 878 HB2 PRO 107 HB2 PRO 107 -2.831 10.691 -2.145 879 HB3 PRO 107 HB1 PRO 107 -1.495 9.536 -2.204 880 HG2 PRO 107 HG2 PRO 107 -1.888 11.072 -0.060 881 HG3 PRO 107 HG1 PRO 107 -0.252 10.691 -0.629 882 HD2 PRO 107 HD2 PRO 107 -1.849 13.201 -0.989 883 HD3 PRO 107 HD1 PRO 107 -0.123 13.005 -0.618 884 H GLN 108 HN GLN 108 -1.365 10.239 -5.514 885 HA GLN 108 HA GLN 108 -3.623 11.943 -6.307 886 HB2 GLN 108 HB2 GLN 108 -2.861 11.709 -8.633 887 HB3 GLN 108 HB1 GLN 108 -1.641 12.472 -7.621 888 HG2 GLN 108 HG2 GLN 108 -0.492 10.287 -7.445 889 HG3 GLN 108 HG1 GLN 108 -1.672 9.618 -8.569 890 HE21 GLN 108 HE21 GLN 108 -1.608 10.247 -10.737 891 HE22 GLN 108 HE22 GLN 108 -0.232 11.039 -11.421 892 HA PRO 109 HA PRO 109 -6.112 8.310 -6.890 893 HB2 PRO 109 HB2 PRO 109 -7.056 9.688 -9.347 894 HB3 PRO 109 HB1 PRO 109 -7.993 9.068 -7.986 895 HG2 PRO 109 HG2 PRO 109 -7.631 11.679 -8.289 896 HG3 PRO 109 HG1 PRO 109 -7.568 10.940 -6.676 897 HD2 PRO 109 HD2 PRO 109 -5.320 11.837 -8.437 898 HD3 PRO 109 HD1 PRO 109 -5.512 11.999 -6.680 899 H LEU 110 HN LEU 110 -4.859 6.621 -7.538 900 HA LEU 110 HA LEU 110 -4.149 6.494 -10.385 901 HB2 LEU 110 HB2 LEU 110 -2.511 6.122 -7.984 902 HB3 LEU 110 HB1 LEU 110 -2.279 4.941 -9.250 903 HG LEU 110 HG LEU 110 -1.973 7.931 -9.559 904 HD11 LEU 110 HD11 LEU 110 0.408 7.451 -9.808 905 HD12 LEU 110 HD12 LEU 110 0.099 5.748 -9.471 906 HD13 LEU 110 HD13 LEU 110 -0.190 6.959 -8.223 907 HD21 LEU 110 HD21 LEU 110 -2.721 6.950 -11.633 908 HD22 LEU 110 HD22 LEU 110 -1.501 5.684 -11.512 909 HD23 LEU 110 HD23 LEU 110 -1.011 7.358 -11.764 910 H ASN 111 HN ASN 111 -5.625 5.047 -7.777 911 HA ASN 111 HA ASN 111 -6.072 2.592 -9.300 912 HB2 ASN 111 HB2 ASN 111 -5.190 2.691 -6.402 913 HB3 ASN 111 HB1 ASN 111 -5.895 1.266 -7.156 914 HD21 ASN 111 HD21 ASN 111 -3.103 3.280 -6.876 915 HD22 ASN 111 HD22 ASN 111 -2.014 2.245 -7.732 916 H LYS 112 HN LYS 112 -8.090 1.475 -8.304 917 HA LYS 112 HA LYS 112 -9.548 3.401 -6.690 918 HB2 LYS 112 HB2 LYS 112 -11.614 2.811 -7.926 919 HB3 LYS 112 HB1 LYS 112 -10.425 3.685 -8.859 920 HG2 LYS 112 HG2 LYS 112 -9.769 1.668 -9.998 921 HG3 LYS 112 HG1 LYS 112 -10.854 0.717 -8.985 922 HD2 LYS 112 HD2 LYS 112 -11.874 1.084 -11.147 923 HD3 LYS 112 HD1 LYS 112 -12.770 1.966 -9.914 924 HE2 LYS 112 HE2 LYS 112 -10.605 3.347 -11.438 925 HE3 LYS 112 HE1 LYS 112 -12.176 3.101 -12.193 926 HZ1 LYS 112 HZ1 LYS 112 -11.932 5.265 -11.054 927 HZ2 LYS 112 HZ2 LYS 112 -11.792 4.454 -9.580 928 HZ3 LYS 112 HZ3 LYS 112 -13.224 4.345 -10.469 929 H TRP 113 HN TRP 113 -10.687 2.650 -5.118 930 HA TRP 113 HA TRP 113 -10.118 0.093 -4.067 931 HB2 TRP 113 HB2 TRP 113 -11.835 0.768 -2.335 932 HB3 TRP 113 HB1 TRP 113 -10.538 1.919 -2.577 933 HD1 TRP 113 HD1 TRP 113 -11.160 4.321 -3.133 934 HE1 TRP 113 HE1 TRP 113 -13.312 5.572 -3.766 935 HE3 TRP 113 HE3 TRP 113 -14.311 0.325 -3.663 936 HZ2 TRP 113 HZ2 TRP 113 -15.981 4.957 -4.409 937 HZ3 TRP 113 HZ3 TRP 113 -16.647 0.752 -4.296 938 HH2 TRP 113 HH2 TRP 113 -17.465 3.020 -4.662 939 H ARG 114 HN ARG 114 -11.864 -1.525 -3.455 940 HA ARG 114 HA ARG 114 -13.929 -1.596 -5.519 941 HB2 ARG 114 HB2 ARG 114 -11.890 -3.753 -4.946 942 HB3 ARG 114 HB1 ARG 114 -13.350 -3.996 -5.913 943 HG2 ARG 114 HG2 ARG 114 -11.251 -1.942 -6.561 944 HG3 ARG 114 HG1 ARG 114 -11.282 -3.570 -7.233 945 HD2 ARG 114 HD2 ARG 114 -13.569 -3.075 -8.113 946 HD3 ARG 114 HD1 ARG 114 -13.348 -1.405 -7.584 947 HE ARG 114 HE ARG 114 -11.150 -1.995 -9.135 948 HH11 ARG 114 HH11 ARG 114 -14.615 -1.856 -9.588 949 HH12 ARG 114 HH12 ARG 114 -14.507 -1.528 -11.287 950 HH21 ARG 114 HH21 ARG 114 -10.996 -1.551 -11.358 951 HH22 ARG 114 HH22 ARG 114 -12.437 -1.347 -12.299 952 H SER 115 HN SER 115 -15.313 -3.572 -5.218 953 HA SER 115 HA SER 115 -16.967 -4.555 -4.056 954 HB2 SER 115 HB2 SER 115 -15.143 -5.901 -3.173 955 HB3 SER 115 HB1 SER 115 -14.886 -4.710 -1.907 956 HG SER 115 HG SER 115 -17.130 -5.138 -1.303 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 17.623 2.027 -5.611 2 H2 ALA 1 HT2 ALA 1 16.053 2.428 -6.097 3 H3 ALA 1 HT3 ALA 1 16.324 1.048 -5.155 4 HA ALA 1 HA ALA 1 16.757 3.845 -4.313 5 HB1 ALA 1 HB1 ALA 1 14.871 3.513 -2.826 6 HB2 ALA 1 HB2 ALA 1 14.667 1.864 -3.418 7 HB3 ALA 1 HB3 ALA 1 14.384 3.231 -4.497 8 H MET 2 HN MET 2 18.856 3.399 -3.567 9 HA MET 2 HA MET 2 19.417 1.332 -1.699 10 HB2 MET 2 HB2 MET 2 20.820 3.950 -2.260 11 HB3 MET 2 HB1 MET 2 21.437 2.729 -1.157 12 HG2 MET 2 HG2 MET 2 20.952 2.362 -4.104 13 HG3 MET 2 HG1 MET 2 22.517 2.604 -3.329 14 HE1 MET 2 HE1 MET 2 22.681 -1.151 -4.435 15 HE2 MET 2 HE2 MET 2 23.466 0.427 -4.515 16 HE3 MET 2 HE3 MET 2 21.910 0.174 -5.305 17 H GLY 3 HN GLY 3 18.188 1.227 0.071 18 HA2 GLY 3 HA2 GLY 3 17.042 3.523 1.307 19 HA3 GLY 3 HA1 GLY 3 16.987 1.882 1.916 20 H CYS 4 HN CYS 4 17.183 3.951 3.583 21 HA CYS 4 HA CYS 4 19.683 3.235 4.741 22 HB2 CYS 4 HB2 CYS 4 20.410 5.328 5.382 23 HB3 CYS 4 HB1 CYS 4 19.619 5.713 3.864 24 H LYS 5 HN LYS 5 16.571 3.269 4.736 25 HA LYS 5 HA LYS 5 16.433 1.993 7.315 26 HB2 LYS 5 HB2 LYS 5 15.556 4.416 7.503 27 HB3 LYS 5 HB1 LYS 5 14.216 3.745 6.600 28 HG2 LYS 5 HG2 LYS 5 13.988 1.979 8.351 29 HG3 LYS 5 HG1 LYS 5 15.167 2.873 9.306 30 HD2 LYS 5 HD2 LYS 5 13.702 4.736 9.512 31 HD3 LYS 5 HD1 LYS 5 12.591 4.074 8.312 32 HE2 LYS 5 HE2 LYS 5 12.174 2.158 9.841 33 HE3 LYS 5 HE1 LYS 5 13.175 2.955 11.050 34 HZ1 LYS 5 HZ1 LYS 5 11.610 4.859 10.932 35 HZ2 LYS 5 HZ2 LYS 5 10.915 3.439 11.521 36 HZ3 LYS 5 HZ3 LYS 5 10.600 3.929 9.934 37 H GLU 6 HN GLU 6 14.817 0.372 7.363 38 HA GLU 6 HA GLU 6 13.677 -0.553 4.969 39 HB2 GLU 6 HB2 GLU 6 12.657 -0.901 7.797 40 HB3 GLU 6 HB1 GLU 6 12.243 -1.900 6.406 41 HG2 GLU 6 HG2 GLU 6 14.583 -2.573 6.217 42 HG3 GLU 6 HG1 GLU 6 14.958 -1.632 7.658 43 H ILE 7 HN ILE 7 12.105 0.349 3.804 44 HA ILE 7 HA ILE 7 10.805 2.738 4.747 45 HB ILE 7 HB ILE 7 10.543 1.230 2.160 46 HG12 ILE 7 HG12 ILE 7 12.644 2.081 2.115 47 HG13 ILE 7 HG11 ILE 7 11.733 3.338 1.327 48 HG21 ILE 7 HG21 ILE 7 9.327 3.775 3.052 49 HG22 ILE 7 HG22 ILE 7 8.580 2.423 2.193 50 HG23 ILE 7 HG23 ILE 7 9.716 3.488 1.359 51 HD11 ILE 7 HD11 ILE 7 11.597 4.482 3.514 52 HD12 ILE 7 HD12 ILE 7 13.213 4.388 2.819 53 HD13 ILE 7 HD13 ILE 7 12.751 3.307 4.141 54 H GLU 8 HN GLU 8 8.384 3.026 4.751 55 HA GLU 8 HA GLU 8 7.368 0.485 5.861 56 HB2 GLU 8 HB2 GLU 8 6.808 3.283 6.854 57 HB3 GLU 8 HB1 GLU 8 6.105 1.805 7.497 58 HG2 GLU 8 HG2 GLU 8 8.299 1.001 8.145 59 HG3 GLU 8 HG1 GLU 8 9.046 2.445 7.468 60 H ILE 9 HN ILE 9 5.620 -0.336 5.067 61 HA ILE 9 HA ILE 9 4.209 1.015 2.927 62 HB ILE 9 HB ILE 9 3.183 -1.531 4.014 63 HG12 ILE 9 HG12 ILE 9 5.479 -2.086 4.097 64 HG13 ILE 9 HG11 ILE 9 4.755 -2.885 2.720 65 HG21 ILE 9 HG21 ILE 9 2.128 -0.536 2.112 66 HG22 ILE 9 HG22 ILE 9 2.873 -2.080 1.693 67 HG23 ILE 9 HG23 ILE 9 3.666 -0.573 1.250 68 HD11 ILE 9 HD11 ILE 9 6.909 -1.937 2.176 69 HD12 ILE 9 HD12 ILE 9 6.291 -0.346 2.622 70 HD13 ILE 9 HD13 ILE 9 5.591 -1.209 1.261 71 H VAL 10 HN VAL 10 2.315 2.113 3.222 72 HA VAL 10 HA VAL 10 0.705 1.301 5.525 73 HB VAL 10 HB VAL 10 1.132 3.252 6.457 74 HG11 VAL 10 HG11 VAL 10 3.006 3.947 5.361 75 HG12 VAL 10 HG12 VAL 10 1.907 5.293 5.056 76 HG13 VAL 10 HG13 VAL 10 2.184 4.075 3.810 77 HG21 VAL 10 HG21 VAL 10 -0.314 5.129 5.773 78 HG22 VAL 10 HG22 VAL 10 -1.174 3.589 5.802 79 HG23 VAL 10 HG23 VAL 10 -0.665 4.289 4.262 80 H ILE 11 HN ILE 11 -1.259 0.777 5.101 81 HA ILE 11 HA ILE 11 -2.501 1.720 2.636 82 HB ILE 11 HB ILE 11 -2.983 -0.719 4.304 83 HG12 ILE 11 HG12 ILE 11 -1.387 -1.133 2.643 84 HG13 ILE 11 HG11 ILE 11 -2.895 -1.786 2.005 85 HG21 ILE 11 HG21 ILE 11 -4.858 0.451 2.278 86 HG22 ILE 11 HG22 ILE 11 -5.167 0.162 3.993 87 HG23 ILE 11 HG23 ILE 11 -4.967 -1.202 2.889 88 HD11 ILE 11 HD11 ILE 11 -2.045 -0.648 0.209 89 HD12 ILE 11 HD12 ILE 11 -1.405 0.649 1.228 90 HD13 ILE 11 HD13 ILE 11 -3.137 0.533 0.937 91 H LYS 12 HN LYS 12 -3.796 3.343 2.934 92 HA LYS 12 HA LYS 12 -5.028 3.780 5.549 93 HB2 LYS 12 HB2 LYS 12 -3.736 5.496 3.917 94 HB3 LYS 12 HB1 LYS 12 -5.394 5.684 3.289 95 HG2 LYS 12 HG2 LYS 12 -6.180 6.298 5.490 96 HG3 LYS 12 HG1 LYS 12 -4.555 6.071 6.136 97 HD2 LYS 12 HD2 LYS 12 -3.709 7.828 4.676 98 HD3 LYS 12 HD1 LYS 12 -5.320 8.042 3.991 99 HE2 LYS 12 HE2 LYS 12 -6.165 8.733 6.166 100 HE3 LYS 12 HE1 LYS 12 -4.571 8.479 6.876 101 HZ1 LYS 12 HZ1 LYS 12 -3.704 10.198 5.387 102 HZ2 LYS 12 HZ2 LYS 12 -4.915 10.800 6.403 103 HZ3 LYS 12 HZ3 LYS 12 -5.262 10.465 4.781 104 H ASN 13 HN ASN 13 -7.368 4.341 5.526 105 HA ASN 13 HA ASN 13 -8.857 3.646 3.126 106 HB2 ASN 13 HB2 ASN 13 -8.513 1.515 4.480 107 HB3 ASN 13 HB1 ASN 13 -9.486 2.266 5.742 108 HD21 ASN 13 HD21 ASN 13 -9.937 -0.115 4.123 109 HD22 ASN 13 HD22 ASN 13 -11.470 0.115 3.366 110 H THR 14 HN THR 14 -10.398 5.254 2.916 111 HA THR 14 HA THR 14 -11.792 6.232 5.172 112 HB THR 14 HB THR 14 -9.840 7.153 5.983 113 HG1 THR 14 HG1 THR 14 -10.719 9.380 4.477 114 HG21 THR 14 HG21 THR 14 -9.341 7.826 3.127 115 HG22 THR 14 HG22 THR 14 -8.375 6.812 4.203 116 HG23 THR 14 HG23 THR 14 -8.402 8.566 4.425 117 H LEU 15 HN LEU 15 -13.716 6.302 3.653 118 HA LEU 15 HA LEU 15 -13.719 8.938 2.555 119 HB2 LEU 15 HB2 LEU 15 -16.064 7.129 3.029 120 HB3 LEU 15 HB1 LEU 15 -16.159 8.712 2.353 121 HG LEU 15 HG LEU 15 -14.755 7.996 0.499 122 HD11 LEU 15 HD11 LEU 15 -14.656 5.477 0.274 123 HD12 LEU 15 HD12 LEU 15 -14.849 5.499 2.051 124 HD13 LEU 15 HD13 LEU 15 -13.506 6.369 1.289 125 HD21 LEU 15 HD21 LEU 15 -17.249 6.359 0.910 126 HD22 LEU 15 HD22 LEU 15 -16.471 6.684 -0.638 127 HD23 LEU 15 HD23 LEU 15 -17.196 8.003 0.278 128 H GLY 16 HN GLY 16 -15.272 7.135 5.076 129 HA2 GLY 16 HA2 GLY 16 -15.102 8.947 7.165 130 HA3 GLY 16 HA1 GLY 16 -16.669 9.190 6.367 131 HA PRO 17 HA PRO 17 -17.235 6.317 10.035 132 HB2 PRO 17 HB2 PRO 17 -19.867 6.428 8.596 133 HB3 PRO 17 HB1 PRO 17 -19.551 6.355 10.333 134 HG2 PRO 17 HG2 PRO 17 -20.078 8.681 9.069 135 HG3 PRO 17 HG1 PRO 17 -18.991 8.583 10.465 136 HD2 PRO 17 HD2 PRO 17 -18.357 9.173 7.679 137 HD3 PRO 17 HD1 PRO 17 -17.333 9.343 9.117 138 H SER 18 HN SER 18 -16.641 4.299 10.003 139 HA SER 18 HA SER 18 -16.455 2.096 9.569 140 HB2 SER 18 HB2 SER 18 -18.590 2.497 7.460 141 HB3 SER 18 HB1 SER 18 -18.005 0.948 8.071 142 HG SER 18 HG SER 18 -18.732 2.558 10.112 143 H ARG 19 HN ARG 19 -17.222 2.861 6.218 144 HA ARG 19 HA ARG 19 -16.080 2.147 4.365 145 HB2 ARG 19 HB2 ARG 19 -14.759 4.540 5.532 146 HB3 ARG 19 HB1 ARG 19 -14.063 3.788 4.133 147 HG2 ARG 19 HG2 ARG 19 -15.559 5.655 3.648 148 HG3 ARG 19 HG1 ARG 19 -16.042 4.147 2.867 149 HD2 ARG 19 HD2 ARG 19 -17.718 3.782 4.587 150 HD3 ARG 19 HD1 ARG 19 -17.189 5.239 5.429 151 HE ARG 19 HE ARG 19 -18.188 5.468 2.681 152 HH11 ARG 19 HH11 ARG 19 -18.707 5.964 6.109 153 HH12 ARG 19 HH12 ARG 19 -19.934 7.174 5.869 154 HH21 ARG 19 HH21 ARG 19 -19.822 7.032 2.370 155 HH22 ARG 19 HH22 ARG 19 -20.559 7.781 3.754 156 H ILE 20 HN ILE 20 -15.264 0.177 4.334 157 HA ILE 20 HA ILE 20 -12.637 -0.309 5.558 158 HB ILE 20 HB ILE 20 -14.856 -2.317 5.867 159 HG12 ILE 20 HG12 ILE 20 -14.684 0.236 7.101 160 HG13 ILE 20 HG11 ILE 20 -15.879 -1.024 7.353 161 HG21 ILE 20 HG21 ILE 20 -12.329 -1.874 7.427 162 HG22 ILE 20 HG22 ILE 20 -12.526 -3.078 6.153 163 HG23 ILE 20 HG23 ILE 20 -13.476 -3.196 7.642 164 HD11 ILE 20 HD11 ILE 20 -14.682 -1.919 9.144 165 HD12 ILE 20 HD12 ILE 20 -14.677 -0.161 9.374 166 HD13 ILE 20 HD13 ILE 20 -13.243 -0.982 8.745 167 H LEU 21 HN LEU 21 -11.397 -1.863 4.606 168 HA LEU 21 HA LEU 21 -12.432 -3.524 2.450 169 HB2 LEU 21 HB2 LEU 21 -10.164 -1.556 2.078 170 HB3 LEU 21 HB1 LEU 21 -10.538 -2.875 0.955 171 HG LEU 21 HG LEU 21 -12.504 -0.681 1.616 172 HD11 LEU 21 HD11 LEU 21 -10.435 -0.823 -0.564 173 HD12 LEU 21 HD12 LEU 21 -10.542 0.374 0.727 174 HD13 LEU 21 HD13 LEU 21 -11.777 0.318 -0.528 175 HD21 LEU 21 HD21 LEU 21 -13.541 -1.391 -0.466 176 HD22 LEU 21 HD22 LEU 21 -13.409 -2.752 0.646 177 HD23 LEU 21 HD23 LEU 21 -12.282 -2.602 -0.703 178 H GLN 22 HN GLN 22 -11.113 -5.346 2.085 179 HA GLN 22 HA GLN 22 -9.120 -5.801 4.139 180 HB2 GLN 22 HB2 GLN 22 -10.876 -7.489 3.833 181 HB3 GLN 22 HB1 GLN 22 -10.403 -7.680 2.148 182 HG2 GLN 22 HG2 GLN 22 -8.190 -8.386 2.900 183 HG3 GLN 22 HG1 GLN 22 -8.749 -8.323 4.567 184 HE21 GLN 22 HE21 GLN 22 -10.260 -9.840 5.281 185 HE22 GLN 22 HE22 GLN 22 -10.539 -11.318 4.433 186 H TYR 23 HN TYR 23 -7.212 -5.006 3.574 187 HA TYR 23 HA TYR 23 -6.343 -5.119 0.777 188 HB2 TYR 23 HB2 TYR 23 -4.935 -3.303 1.244 189 HB3 TYR 23 HB1 TYR 23 -6.322 -2.989 2.287 190 HD1 TYR 23 HD1 TYR 23 -6.181 -3.253 4.669 191 HD2 TYR 23 HD2 TYR 23 -2.812 -4.036 2.215 192 HE1 TYR 23 HE1 TYR 23 -4.736 -3.180 6.659 193 HE2 TYR 23 HE2 TYR 23 -1.345 -3.970 4.186 194 HH TYR 23 HH TYR 23 -2.575 -4.002 7.383 195 H HIS 24 HN HIS 24 -4.163 -5.892 0.329 196 HA HIS 24 HA HIS 24 -2.913 -7.469 2.449 197 HB2 HIS 24 HB2 HIS 24 -4.307 -9.093 1.326 198 HB3 HIS 24 HB1 HIS 24 -3.723 -8.571 -0.248 199 HD1 HIS 24 HD1 HIS 24 -1.307 -9.041 2.553 200 HD2 HIS 24 HD2 HIS 24 -2.643 -11.105 -0.803 201 HE1 HIS 24 HE1 HIS 24 0.320 -10.931 2.224 202 HE2 HIS 24 HE2 HIS 24 -0.630 -12.282 0.323 203 H CYS 25 HN CYS 25 -1.011 -6.306 2.509 204 HA CYS 25 HA CYS 25 0.432 -6.129 -0.011 205 HB2 CYS 25 HB2 CYS 25 1.359 -5.042 2.641 206 HB3 CYS 25 HB1 CYS 25 1.915 -4.581 1.034 207 H ARG 26 HN ARG 26 2.633 -6.899 -0.183 208 HA ARG 26 HA ARG 26 3.541 -8.763 1.859 209 HB2 ARG 26 HB2 ARG 26 3.776 -10.640 0.244 210 HB3 ARG 26 HB1 ARG 26 2.108 -10.225 0.613 211 HG2 ARG 26 HG2 ARG 26 1.936 -9.001 -1.491 212 HG3 ARG 26 HG1 ARG 26 3.613 -9.406 -1.863 213 HD2 ARG 26 HD2 ARG 26 3.094 -11.736 -1.985 214 HD3 ARG 26 HD1 ARG 26 1.463 -11.458 -1.373 215 HE ARG 26 HE ARG 26 1.680 -9.939 -3.665 216 HH11 ARG 26 HH11 ARG 26 1.990 -13.337 -2.862 217 HH12 ARG 26 HH12 ARG 26 1.360 -13.885 -4.382 218 HH21 ARG 26 HH21 ARG 26 0.846 -10.669 -5.673 219 HH22 ARG 26 HH22 ARG 26 0.715 -12.371 -5.981 220 H SER 27 HN SER 27 5.694 -9.491 1.589 221 HA SER 27 HA SER 27 7.338 -7.672 -0.034 222 HB2 SER 27 HB2 SER 27 7.666 -7.612 2.429 223 HB3 SER 27 HB1 SER 27 8.083 -9.322 2.399 224 HG SER 27 HG SER 27 9.880 -7.765 2.387 225 H GLY 28 HN GLY 28 9.494 -8.664 -0.678 226 HA2 GLY 28 HA2 GLY 28 8.929 -10.889 -2.390 227 HA3 GLY 28 HA1 GLY 28 10.455 -10.030 -2.266 228 H ASN 29 HN ASN 29 9.135 -11.210 0.632 229 HA ASN 29 HA ASN 29 10.204 -13.812 0.694 230 HB2 ASN 29 HB2 ASN 29 12.364 -12.566 0.631 231 HB3 ASN 29 HB1 ASN 29 11.888 -11.713 2.095 232 HD21 ASN 29 HD21 ASN 29 12.937 -14.729 0.745 233 HD22 ASN 29 HD22 ASN 29 13.315 -15.504 2.244 234 H THR 30 HN THR 30 9.557 -10.873 2.522 235 HA THR 30 HA THR 30 8.673 -12.359 4.842 236 HB THR 30 HB THR 30 8.733 -9.382 4.372 237 HG1 THR 30 HG1 THR 30 10.625 -11.054 5.709 238 HG21 THR 30 HG21 THR 30 8.649 -9.194 6.796 239 HG22 THR 30 HG22 THR 30 8.579 -10.950 6.945 240 HG23 THR 30 HG23 THR 30 7.242 -10.075 6.201 241 H ASN 31 HN ASN 31 6.652 -13.125 4.908 242 HA ASN 31 HA ASN 31 4.489 -11.719 3.538 243 HB2 ASN 31 HB2 ASN 31 4.498 -14.299 5.129 244 HB3 ASN 31 HB1 ASN 31 3.076 -13.618 4.350 245 HD21 ASN 31 HD21 ASN 31 6.012 -15.351 3.925 246 HD22 ASN 31 HD22 ASN 31 5.805 -15.717 2.249 247 H VAL 32 HN VAL 32 2.856 -10.626 4.610 248 HA VAL 32 HA VAL 32 3.494 -10.041 7.372 249 HB VAL 32 HB VAL 32 3.815 -8.011 6.639 250 HG11 VAL 32 HG11 VAL 32 1.866 -8.455 4.439 251 HG12 VAL 32 HG12 VAL 32 3.540 -8.987 4.419 252 HG13 VAL 32 HG13 VAL 32 3.169 -7.261 4.525 253 HG21 VAL 32 HG21 VAL 32 1.891 -6.574 6.787 254 HG22 VAL 32 HG22 VAL 32 1.759 -7.856 7.995 255 HG23 VAL 32 HG23 VAL 32 0.807 -7.941 6.515 256 H GLY 33 HN GLY 33 0.723 -10.420 5.199 257 HA2 GLY 33 HA2 GLY 33 -1.001 -11.866 6.458 258 HA3 GLY 33 HA1 GLY 33 -1.025 -10.482 7.542 259 H VAL 34 HN VAL 34 -3.335 -11.030 6.583 260 HA VAL 34 HA VAL 34 -3.805 -9.015 4.491 261 HB VAL 34 HB VAL 34 -5.259 -11.660 4.738 262 HG11 VAL 34 HG11 VAL 34 -6.733 -9.996 3.883 263 HG12 VAL 34 HG12 VAL 34 -6.202 -10.983 2.521 264 HG13 VAL 34 HG13 VAL 34 -5.502 -9.387 2.782 265 HG21 VAL 34 HG21 VAL 34 -4.111 -12.374 2.771 266 HG22 VAL 34 HG22 VAL 34 -2.895 -11.822 3.934 267 HG23 VAL 34 HG23 VAL 34 -3.355 -10.791 2.578 268 H GLN 35 HN GLN 35 -5.054 -7.435 5.452 269 HA GLN 35 HA GLN 35 -7.110 -8.268 7.357 270 HB2 GLN 35 HB2 GLN 35 -4.824 -6.429 7.941 271 HB3 GLN 35 HB1 GLN 35 -6.365 -6.205 8.760 272 HG2 GLN 35 HG2 GLN 35 -6.240 -8.579 9.476 273 HG3 GLN 35 HG1 GLN 35 -4.605 -8.640 8.820 274 HE21 GLN 35 HE21 GLN 35 -4.079 -5.864 9.621 275 HE22 GLN 35 HE22 GLN 35 -3.802 -5.915 11.326 276 H TYR 36 HN TYR 36 -8.641 -6.608 7.904 277 HA TYR 36 HA TYR 36 -8.953 -4.686 5.732 278 HB2 TYR 36 HB2 TYR 36 -11.340 -4.504 6.484 279 HB3 TYR 36 HB1 TYR 36 -10.869 -5.995 5.692 280 HD1 TYR 36 HD1 TYR 36 -10.217 -7.906 7.191 281 HD2 TYR 36 HD2 TYR 36 -12.412 -4.559 8.508 282 HE1 TYR 36 HE1 TYR 36 -11.107 -9.254 9.069 283 HE2 TYR 36 HE2 TYR 36 -13.313 -5.835 10.389 284 HH TYR 36 HH TYR 36 -12.032 -8.772 11.393 285 H LEU 37 HN LEU 37 -9.418 -2.534 6.143 286 HA LEU 37 HA LEU 37 -8.762 -1.687 8.889 287 HB2 LEU 37 HB2 LEU 37 -7.186 -1.337 6.675 288 HB3 LEU 37 HB1 LEU 37 -8.102 0.155 6.697 289 HG LEU 37 HG LEU 37 -6.231 -0.888 8.814 290 HD11 LEU 37 HD11 LEU 37 -5.249 0.244 6.888 291 HD12 LEU 37 HD12 LEU 37 -5.044 1.170 8.374 292 HD13 LEU 37 HD13 LEU 37 -6.270 1.648 7.199 293 HD21 LEU 37 HD21 LEU 37 -8.057 1.507 8.981 294 HD22 LEU 37 HD22 LEU 37 -6.772 1.112 10.121 295 HD23 LEU 37 HD23 LEU 37 -8.166 0.045 9.960 296 H ASN 38 HN ASN 38 -9.995 -0.084 9.733 297 HA ASN 38 HA ASN 38 -12.347 0.711 8.251 298 HB2 ASN 38 HB2 ASN 38 -12.988 1.869 10.375 299 HB3 ASN 38 HB1 ASN 38 -12.745 0.140 10.540 300 HD21 ASN 38 HD21 ASN 38 -11.476 3.296 11.268 301 HD22 ASN 38 HD22 ASN 38 -10.374 2.782 12.498 302 H PHE 39 HN PHE 39 -13.059 2.900 8.308 303 HA PHE 39 HA PHE 39 -11.282 4.716 7.119 304 HB2 PHE 39 HB2 PHE 39 -13.411 5.310 6.613 305 HB3 PHE 39 HB1 PHE 39 -14.040 4.813 8.181 306 HD1 PHE 39 HD1 PHE 39 -12.191 7.520 6.448 307 HD2 PHE 39 HD2 PHE 39 -14.425 6.385 9.882 308 HE1 PHE 39 HE1 PHE 39 -12.323 9.877 7.134 309 HE2 PHE 39 HE2 PHE 39 -14.555 8.742 10.581 310 HZ PHE 39 HZ PHE 39 -13.449 10.484 9.235 311 H LYS 40 HN LYS 40 -10.170 6.473 7.833 312 HA LYS 40 HA LYS 40 -9.153 7.963 9.214 313 HB2 LYS 40 HB2 LYS 40 -11.504 7.353 10.627 314 HB3 LYS 40 HB1 LYS 40 -10.182 7.312 11.783 315 HG2 LYS 40 HG2 LYS 40 -10.824 9.611 9.939 316 HG3 LYS 40 HG1 LYS 40 -11.279 9.514 11.639 317 HD2 LYS 40 HD2 LYS 40 -8.439 9.425 10.633 318 HD3 LYS 40 HD1 LYS 40 -9.248 10.888 11.195 319 HE2 LYS 40 HE2 LYS 40 -9.602 9.808 13.386 320 HE3 LYS 40 HE1 LYS 40 -8.714 8.397 12.812 321 HZ1 LYS 40 HZ1 LYS 40 -7.630 11.146 13.082 322 HZ2 LYS 40 HZ2 LYS 40 -6.773 9.816 12.487 323 HZ3 LYS 40 HZ3 LYS 40 -7.287 9.841 14.098 324 H GLY 41 HN GLY 41 -8.109 5.345 8.729 325 HA2 GLY 41 HA2 GLY 41 -6.319 5.203 10.997 326 HA3 GLY 41 HA1 GLY 41 -7.281 3.771 10.672 327 H THR 42 HN THR 42 -4.456 4.040 10.616 328 HA THR 42 HA THR 42 -3.903 3.365 7.800 329 HB THR 42 HB THR 42 -1.453 3.944 8.739 330 HG1 THR 42 HG1 THR 42 -3.050 5.969 9.921 331 HG21 THR 42 HG21 THR 42 -3.404 5.975 7.670 332 HG22 THR 42 HG22 THR 42 -2.514 4.800 6.695 333 HG23 THR 42 HG23 THR 42 -1.645 6.063 7.572 334 H ARG 43 HN ARG 43 -2.397 1.690 7.446 335 HA ARG 43 HA ARG 43 -1.883 -0.080 9.732 336 HB2 ARG 43 HB2 ARG 43 -3.435 -0.597 7.327 337 HB3 ARG 43 HB1 ARG 43 -2.138 -1.761 7.544 338 HG2 ARG 43 HG2 ARG 43 -3.899 -1.140 9.862 339 HG3 ARG 43 HG1 ARG 43 -4.520 -2.165 8.569 340 HD2 ARG 43 HD2 ARG 43 -3.545 -3.525 10.320 341 HD3 ARG 43 HD1 ARG 43 -2.598 -3.659 8.843 342 HE ARG 43 HE ARG 43 -1.794 -1.967 11.125 343 HH11 ARG 43 HH11 ARG 43 -1.042 -4.252 8.578 344 HH12 ARG 43 HH12 ARG 43 0.644 -4.335 8.982 345 HH21 ARG 43 HH21 ARG 43 0.422 -2.090 11.665 346 HH22 ARG 43 HH22 ARG 43 1.482 -3.092 10.721 347 H ILE 44 HN ILE 44 0.289 -0.172 9.950 348 HA ILE 44 HA ILE 44 1.796 0.439 7.515 349 HB ILE 44 HB ILE 44 2.623 1.163 10.319 350 HG12 ILE 44 HG12 ILE 44 2.305 3.497 9.121 351 HG13 ILE 44 HG11 ILE 44 1.166 2.588 8.151 352 HG21 ILE 44 HG21 ILE 44 4.401 0.702 8.570 353 HG22 ILE 44 HG22 ILE 44 4.430 2.310 9.299 354 HG23 ILE 44 HG23 ILE 44 3.741 2.086 7.691 355 HD11 ILE 44 HD11 ILE 44 1.061 2.798 11.147 356 HD12 ILE 44 HD12 ILE 44 -0.129 2.029 10.095 357 HD13 ILE 44 HD13 ILE 44 0.109 3.775 10.030 358 H ILE 45 HN ILE 45 3.025 -0.911 6.777 359 HA ILE 45 HA ILE 45 4.112 -3.142 8.253 360 HB ILE 45 HB ILE 45 4.264 -2.517 5.386 361 HG12 ILE 45 HG12 ILE 45 2.451 -4.395 6.761 362 HG13 ILE 45 HG11 ILE 45 2.024 -2.749 6.347 363 HG21 ILE 45 HG21 ILE 45 4.684 -4.924 5.132 364 HG22 ILE 45 HG22 ILE 45 4.749 -5.064 6.888 365 HG23 ILE 45 HG23 ILE 45 5.959 -4.105 6.032 366 HD11 ILE 45 HD11 ILE 45 2.893 -3.423 4.013 367 HD12 ILE 45 HD12 ILE 45 1.241 -3.827 4.516 368 HD13 ILE 45 HD13 ILE 45 2.512 -5.050 4.586 369 H LYS 46 HN LYS 46 6.394 -3.652 7.975 370 HA LYS 46 HA LYS 46 7.951 -1.497 6.764 371 HB2 LYS 46 HB2 LYS 46 8.086 -1.346 9.288 372 HB3 LYS 46 HB1 LYS 46 8.910 -2.896 9.260 373 HG2 LYS 46 HG2 LYS 46 10.719 -1.981 7.985 374 HG3 LYS 46 HG1 LYS 46 9.867 -0.451 7.800 375 HD2 LYS 46 HD2 LYS 46 11.407 -0.027 9.498 376 HD3 LYS 46 HD1 LYS 46 9.908 -0.348 10.366 377 HE2 LYS 46 HE2 LYS 46 12.010 -2.442 9.855 378 HE3 LYS 46 HE1 LYS 46 11.984 -1.435 11.297 379 HZ1 LYS 46 HZ1 LYS 46 9.938 -3.405 10.448 380 HZ2 LYS 46 HZ2 LYS 46 9.711 -2.319 11.720 381 HZ3 LYS 46 HZ3 LYS 46 10.937 -3.481 11.810 382 H PHE 47 HN PHE 47 9.664 -2.144 5.554 383 HA PHE 47 HA PHE 47 10.368 -4.886 5.206 384 HB2 PHE 47 HB2 PHE 47 8.679 -3.455 3.134 385 HB3 PHE 47 HB1 PHE 47 9.771 -4.760 2.708 386 HD1 PHE 47 HD1 PHE 47 6.738 -4.682 2.220 387 HD2 PHE 47 HD2 PHE 47 9.102 -6.223 5.393 388 HE1 PHE 47 HE1 PHE 47 4.997 -6.334 2.705 389 HE2 PHE 47 HE2 PHE 47 7.369 -7.904 5.874 390 HZ PHE 47 HZ PHE 47 5.192 -7.858 4.400 391 H LYS 48 HN LYS 48 11.868 -4.760 3.062 392 HA LYS 48 HA LYS 48 13.257 -2.219 3.309 393 HB2 LYS 48 HB2 LYS 48 15.154 -3.150 4.349 394 HB3 LYS 48 HB1 LYS 48 13.691 -3.656 5.226 395 HG2 LYS 48 HG2 LYS 48 13.803 -5.853 4.252 396 HG3 LYS 48 HG1 LYS 48 15.166 -5.388 3.233 397 HD2 LYS 48 HD2 LYS 48 16.598 -5.155 5.117 398 HD3 LYS 48 HD1 LYS 48 15.246 -5.297 6.241 399 HE2 LYS 48 HE2 LYS 48 16.147 -7.478 4.367 400 HE3 LYS 48 HE1 LYS 48 16.631 -7.357 6.056 401 HZ1 LYS 48 HZ1 LYS 48 14.785 -8.877 5.798 402 HZ2 LYS 48 HZ2 LYS 48 13.852 -7.679 5.061 403 HZ3 LYS 48 HZ3 LYS 48 14.294 -7.524 6.684 404 H ASP 49 HN ASP 49 14.904 -1.906 1.760 405 HA ASP 49 HA ASP 49 14.173 -2.958 -0.766 406 HB2 ASP 49 HB2 ASP 49 15.770 -1.454 -1.707 407 HB3 ASP 49 HB1 ASP 49 15.035 -0.629 -0.339 408 H ASP 50 HN ASP 50 16.234 -4.121 1.580 409 HA ASP 50 HA ASP 50 17.598 -5.850 -0.354 410 HB2 ASP 50 HB2 ASP 50 19.070 -4.602 1.207 411 HB3 ASP 50 HB1 ASP 50 18.263 -5.408 2.541 412 H GLY 51 HN GLY 51 15.141 -6.515 -0.290 413 HA2 GLY 51 HA2 GLY 51 14.932 -8.745 1.633 414 HA3 GLY 51 HA1 GLY 51 13.547 -7.797 1.120 415 H THR 52 HN THR 52 15.824 -8.329 -1.262 416 HA THR 52 HA THR 52 15.967 -9.500 -3.156 417 HB THR 52 HB THR 52 15.430 -11.831 -3.245 418 HG1 THR 52 HG1 THR 52 13.857 -11.232 -1.083 419 HG21 THR 52 HG21 THR 52 16.962 -12.574 -1.486 420 HG22 THR 52 HG22 THR 52 16.803 -11.002 -0.703 421 HG23 THR 52 HG23 THR 52 17.540 -11.121 -2.300 422 H GLU 53 HN GLU 53 15.018 -9.367 -5.005 423 HA GLU 53 HA GLU 53 12.209 -8.686 -5.058 424 HB2 GLU 53 HB2 GLU 53 14.345 -8.662 -7.188 425 HB3 GLU 53 HB1 GLU 53 12.684 -8.163 -7.456 426 HG2 GLU 53 HG2 GLU 53 12.965 -6.444 -5.694 427 HG3 GLU 53 HG1 GLU 53 14.665 -6.899 -5.582 428 H ARG 54 HN ARG 54 12.251 -11.205 -4.336 429 HA ARG 54 HA ARG 54 11.895 -12.909 -6.668 430 HB2 ARG 54 HB2 ARG 54 12.955 -13.681 -4.498 431 HB3 ARG 54 HB1 ARG 54 11.367 -13.562 -3.759 432 HG2 ARG 54 HG2 ARG 54 11.788 -15.250 -6.192 433 HG3 ARG 54 HG1 ARG 54 12.215 -15.851 -4.591 434 HD2 ARG 54 HD2 ARG 54 9.954 -15.562 -3.829 435 HD3 ARG 54 HD1 ARG 54 9.500 -14.784 -5.342 436 HE ARG 54 HE ARG 54 10.313 -17.616 -5.146 437 HH11 ARG 54 HH11 ARG 54 8.328 -15.069 -6.488 438 HH12 ARG 54 HH12 ARG 54 7.379 -16.144 -7.463 439 HH21 ARG 54 HH21 ARG 54 9.053 -19.048 -6.436 440 HH22 ARG 54 HH22 ARG 54 7.791 -18.401 -7.436 441 H SER 55 HN SER 55 10.066 -11.015 -4.447 442 HA SER 55 HA SER 55 7.675 -11.235 -5.990 443 HB2 SER 55 HB2 SER 55 7.530 -13.327 -4.647 444 HB3 SER 55 HB1 SER 55 7.649 -12.370 -3.172 445 HG SER 55 HG SER 55 5.564 -12.274 -3.305 446 H ARG 56 HN ARG 56 8.605 -8.998 -5.903 447 HA ARG 56 HA ARG 56 8.886 -7.464 -3.582 448 HB2 ARG 56 HB2 ARG 56 8.814 -5.524 -5.064 449 HB3 ARG 56 HB1 ARG 56 9.753 -6.817 -5.797 450 HG2 ARG 56 HG2 ARG 56 8.134 -7.261 -7.403 451 HG3 ARG 56 HG1 ARG 56 6.860 -6.470 -6.476 452 HD2 ARG 56 HD2 ARG 56 7.629 -5.191 -8.475 453 HD3 ARG 56 HD1 ARG 56 7.751 -4.311 -6.954 454 HE ARG 56 HE ARG 56 10.197 -5.604 -7.532 455 HH11 ARG 56 HH11 ARG 56 8.221 -2.948 -8.665 456 HH12 ARG 56 HH12 ARG 56 9.577 -1.978 -9.148 457 HH21 ARG 56 HH21 ARG 56 11.998 -4.317 -8.160 458 HH22 ARG 56 HH22 ARG 56 11.707 -2.742 -8.848 459 H TRP 57 HN TRP 57 7.513 -5.188 -3.881 460 HA TRP 57 HA TRP 57 5.448 -6.105 -2.102 461 HB2 TRP 57 HB2 TRP 57 6.583 -3.339 -2.472 462 HB3 TRP 57 HB1 TRP 57 5.690 -3.964 -1.074 463 HD1 TRP 57 HD1 TRP 57 6.915 -5.671 0.505 464 HE1 TRP 57 HE1 TRP 57 9.366 -6.251 0.858 465 HE3 TRP 57 HE3 TRP 57 8.904 -3.453 -3.645 466 HZ2 TRP 57 HZ2 TRP 57 11.857 -5.816 -0.400 467 HZ3 TRP 57 HZ3 TRP 57 11.335 -3.583 -3.995 468 HH2 TRP 57 HH2 TRP 57 12.783 -4.739 -2.405 469 H ASN 58 HN ASN 58 3.523 -6.304 -2.782 470 HA ASN 58 HA ASN 58 2.301 -4.016 -4.128 471 HB2 ASN 58 HB2 ASN 58 0.828 -5.669 -5.389 472 HB3 ASN 58 HB1 ASN 58 2.488 -5.521 -5.945 473 HD21 ASN 58 HD21 ASN 58 2.458 -7.503 -6.923 474 HD22 ASN 58 HD22 ASN 58 2.500 -8.986 -6.037 475 H CYS 59 HN CYS 59 0.209 -3.579 -3.509 476 HA CYS 59 HA CYS 59 -0.784 -5.191 -1.258 477 HB2 CYS 59 HB2 CYS 59 -1.390 -2.298 -1.936 478 HB3 CYS 59 HB1 CYS 59 -2.079 -3.197 -0.585 479 H LEU 60 HN LEU 60 -2.793 -6.070 -1.408 480 HA LEU 60 HA LEU 60 -4.114 -5.773 -4.008 481 HB2 LEU 60 HB2 LEU 60 -3.853 -8.273 -2.325 482 HB3 LEU 60 HB1 LEU 60 -4.721 -8.134 -3.832 483 HG LEU 60 HG LEU 60 -2.774 -9.241 -4.426 484 HD11 LEU 60 HD11 LEU 60 -3.196 -7.395 -5.921 485 HD12 LEU 60 HD12 LEU 60 -1.466 -7.706 -5.781 486 HD13 LEU 60 HD13 LEU 60 -2.188 -6.339 -4.932 487 HD21 LEU 60 HD21 LEU 60 -0.524 -8.610 -3.722 488 HD22 LEU 60 HD22 LEU 60 -1.562 -8.992 -2.347 489 HD23 LEU 60 HD23 LEU 60 -1.201 -7.311 -2.739 490 H PHE 61 HN PHE 61 -6.128 -5.018 -3.772 491 HA PHE 61 HA PHE 61 -7.241 -5.195 -1.070 492 HB2 PHE 61 HB2 PHE 61 -7.918 -3.356 -3.370 493 HB3 PHE 61 HB1 PHE 61 -8.825 -3.391 -1.872 494 HD1 PHE 61 HD1 PHE 61 -5.336 -2.996 -3.122 495 HD2 PHE 61 HD2 PHE 61 -8.219 -1.911 -0.186 496 HE1 PHE 61 HE1 PHE 61 -3.792 -1.334 -2.209 497 HE2 PHE 61 HE2 PHE 61 -6.701 -0.235 0.678 498 HZ PHE 61 HZ PHE 61 -4.464 0.044 -0.297 499 H ARG 62 HN ARG 62 -8.893 -6.519 -0.680 500 HA ARG 62 HA ARG 62 -10.447 -7.627 -2.912 501 HB2 ARG 62 HB2 ARG 62 -9.825 -9.894 -2.425 502 HB3 ARG 62 HB1 ARG 62 -8.345 -8.979 -2.659 503 HG2 ARG 62 HG2 ARG 62 -8.045 -8.841 -0.238 504 HG3 ARG 62 HG1 ARG 62 -9.530 -9.767 -0.007 505 HD2 ARG 62 HD2 ARG 62 -8.399 -11.537 -1.494 506 HD3 ARG 62 HD1 ARG 62 -6.909 -10.659 -1.152 507 HE ARG 62 HE ARG 62 -8.356 -11.255 1.232 508 HH11 ARG 62 HH11 ARG 62 -6.155 -12.601 -1.140 509 HH12 ARG 62 HH12 ARG 62 -5.592 -13.859 -0.086 510 HH21 ARG 62 HH21 ARG 62 -7.621 -12.912 2.618 511 HH22 ARG 62 HH22 ARG 62 -6.422 -14.034 2.055 512 H GLN 63 HN GLN 63 -11.867 -9.541 -1.737 513 HA GLN 63 HA GLN 63 -12.485 -9.077 1.007 514 HB2 GLN 63 HB2 GLN 63 -13.578 -7.104 -0.038 515 HB3 GLN 63 HB1 GLN 63 -14.568 -8.195 -0.996 516 HG2 GLN 63 HG2 GLN 63 -15.799 -7.349 0.911 517 HG3 GLN 63 HG1 GLN 63 -15.567 -9.091 1.037 518 HE21 GLN 63 HE21 GLN 63 -14.651 -5.980 2.287 519 HE22 GLN 63 HE22 GLN 63 -13.944 -6.554 3.757 520 H GLY 64 HN GLY 64 -13.151 -10.613 -2.036 521 HA2 GLY 64 HA2 GLY 64 -13.763 -12.860 -2.340 522 HA3 GLY 64 HA1 GLY 64 -14.276 -12.930 -0.654 523 H ILE 65 HN ILE 65 -15.508 -13.298 -3.560 524 HA ILE 65 HA ILE 65 -18.106 -12.352 -3.086 525 HB ILE 65 HB ILE 65 -16.788 -10.217 -3.251 526 HG12 ILE 65 HG12 ILE 65 -18.430 -8.997 -4.513 527 HG13 ILE 65 HG11 ILE 65 -18.929 -10.438 -5.377 528 HG21 ILE 65 HG21 ILE 65 -15.290 -10.958 -4.966 529 HG22 ILE 65 HG22 ILE 65 -16.123 -9.478 -5.461 530 HG23 ILE 65 HG23 ILE 65 -16.624 -11.042 -6.112 531 HD11 ILE 65 HD11 ILE 65 -19.844 -11.370 -3.333 532 HD12 ILE 65 HD12 ILE 65 -20.525 -9.774 -3.647 533 HD13 ILE 65 HD13 ILE 65 -19.268 -9.971 -2.425 534 H ASN 66 HN ASN 66 -19.042 -11.911 -5.610 535 HA ASN 66 HA ASN 66 -19.179 -14.227 -7.063 536 HB2 ASN 66 HB2 ASN 66 -19.272 -11.432 -8.217 537 HB3 ASN 66 HB1 ASN 66 -20.041 -12.872 -8.876 538 HD21 ASN 66 HD21 ASN 66 -21.921 -13.641 -7.943 539 HD22 ASN 66 HD22 ASN 66 -22.838 -12.712 -6.812 540 H MET 67 HN MET 67 -18.507 -13.122 -9.732 541 HA MET 67 HA MET 67 -16.135 -14.194 -10.450 542 HB2 MET 67 HB2 MET 67 -16.062 -12.161 -12.147 543 HB3 MET 67 HB1 MET 67 -17.261 -13.438 -12.273 544 HG2 MET 67 HG2 MET 67 -18.297 -11.286 -12.576 545 HG3 MET 67 HG1 MET 67 -18.880 -12.036 -11.097 546 HE1 MET 67 HE1 MET 67 -15.603 -9.961 -11.977 547 HE2 MET 67 HE2 MET 67 -16.101 -8.377 -11.384 548 HE3 MET 67 HE3 MET 67 -16.958 -9.123 -12.731 549 H LYS 68 HN LYS 68 -16.443 -11.404 -8.502 550 HA LYS 68 HA LYS 68 -14.901 -10.648 -7.015 551 HB2 LYS 68 HB2 LYS 68 -12.741 -11.772 -8.715 552 HB3 LYS 68 HB1 LYS 68 -12.561 -11.089 -7.115 553 HG2 LYS 68 HG2 LYS 68 -13.858 -12.894 -6.165 554 HG3 LYS 68 HG1 LYS 68 -14.129 -13.571 -7.772 555 HD2 LYS 68 HD2 LYS 68 -11.483 -13.294 -6.349 556 HD3 LYS 68 HD1 LYS 68 -12.363 -14.791 -6.660 557 HE2 LYS 68 HE2 LYS 68 -11.118 -12.960 -8.708 558 HE3 LYS 68 HE1 LYS 68 -10.565 -14.570 -8.254 559 HZ1 LYS 68 HZ1 LYS 68 -13.129 -13.909 -9.601 560 HZ2 LYS 68 HZ2 LYS 68 -12.668 -15.460 -9.107 561 HZ3 LYS 68 HZ3 LYS 68 -11.788 -14.658 -10.307 562 H PHE 69 HN PHE 69 -14.128 -8.718 -6.758 563 HA PHE 69 HA PHE 69 -14.006 -7.019 -9.105 564 HB2 PHE 69 HB2 PHE 69 -14.242 -6.371 -6.185 565 HB3 PHE 69 HB1 PHE 69 -14.255 -5.180 -7.489 566 HD1 PHE 69 HD1 PHE 69 -16.029 -5.878 -9.430 567 HD2 PHE 69 HD2 PHE 69 -16.281 -6.888 -5.304 568 HE1 PHE 69 HE1 PHE 69 -18.462 -6.149 -9.651 569 HE2 PHE 69 HE2 PHE 69 -18.719 -7.158 -5.518 570 HZ PHE 69 HZ PHE 69 -19.810 -6.790 -7.692 571 H PHE 70 HN PHE 70 -12.355 -6.144 -6.213 572 HA PHE 70 HA PHE 70 -10.194 -6.507 -5.434 573 HB2 PHE 70 HB2 PHE 70 -10.430 -8.692 -6.461 574 HB3 PHE 70 HB1 PHE 70 -9.869 -8.039 -7.982 575 HD1 PHE 70 HD1 PHE 70 -8.854 -8.065 -4.466 576 HD2 PHE 70 HD2 PHE 70 -7.671 -8.446 -8.512 577 HE1 PHE 70 HE1 PHE 70 -6.620 -8.503 -3.749 578 HE2 PHE 70 HE2 PHE 70 -5.387 -8.900 -7.812 579 HZ PHE 70 HZ PHE 70 -4.821 -8.948 -5.416 580 H THR 71 HN THR 71 -8.213 -5.517 -5.637 581 HA THR 71 HA THR 71 -7.401 -4.271 -8.105 582 HB THR 71 HB THR 71 -8.910 -2.649 -6.546 583 HG1 THR 71 HG1 THR 71 -8.266 -1.143 -7.982 584 HG21 THR 71 HG21 THR 71 -7.534 -2.237 -4.694 585 HG22 THR 71 HG22 THR 71 -7.090 -0.907 -5.769 586 HG23 THR 71 HG23 THR 71 -6.061 -2.338 -5.652 587 H GLU 72 HN GLU 72 -5.281 -3.223 -7.884 588 HA GLU 72 HA GLU 72 -3.634 -4.636 -5.942 589 HB2 GLU 72 HB2 GLU 72 -3.738 -6.325 -7.503 590 HB3 GLU 72 HB1 GLU 72 -3.954 -5.216 -8.849 591 HG2 GLU 72 HG2 GLU 72 -1.591 -4.679 -8.810 592 HG3 GLU 72 HG1 GLU 72 -1.360 -5.657 -7.362 593 H VAL 73 HN VAL 73 -2.187 -3.173 -5.258 594 HA VAL 73 HA VAL 73 -1.320 -1.045 -7.115 595 HB VAL 73 HB VAL 73 -1.293 -0.536 -4.197 596 HG11 VAL 73 HG11 VAL 73 -1.878 1.168 -6.610 597 HG12 VAL 73 HG12 VAL 73 -0.363 1.103 -5.708 598 HG13 VAL 73 HG13 VAL 73 -1.816 1.750 -4.947 599 HG21 VAL 73 HG21 VAL 73 -3.813 -0.206 -5.799 600 HG22 VAL 73 HG22 VAL 73 -3.570 0.157 -4.084 601 HG23 VAL 73 HG23 VAL 73 -3.534 -1.515 -4.651 602 H GLU 74 HN GLU 74 0.837 -0.221 -6.753 603 HA GLU 74 HA GLU 74 2.744 -2.135 -5.816 604 HB2 GLU 74 HB2 GLU 74 2.857 0.634 -6.917 605 HB3 GLU 74 HB1 GLU 74 4.235 0.071 -5.988 606 HG2 GLU 74 HG2 GLU 74 4.618 -0.286 -8.331 607 HG3 GLU 74 HG1 GLU 74 4.466 -1.833 -7.509 608 H ALA 75 HN ALA 75 3.217 -2.501 -3.769 609 HA ALA 75 HA ALA 75 2.387 -0.740 -1.648 610 HB1 ALA 75 HB1 ALA 75 3.990 -3.288 -1.681 611 HB2 ALA 75 HB2 ALA 75 2.307 -3.083 -1.186 612 HB3 ALA 75 HB3 ALA 75 3.612 -2.400 -0.209 613 H TYR 76 HN TYR 76 5.298 -1.626 -3.316 614 HA TYR 76 HA TYR 76 6.660 0.732 -2.443 615 HB2 TYR 76 HB2 TYR 76 6.989 -0.645 -0.454 616 HB3 TYR 76 HB1 TYR 76 7.593 -1.969 -1.440 617 HD1 TYR 76 HD1 TYR 76 9.871 -2.288 -1.144 618 HD2 TYR 76 HD2 TYR 76 8.377 1.692 -1.215 619 HE1 TYR 76 HE1 TYR 76 12.148 -1.435 -0.892 620 HE2 TYR 76 HE2 TYR 76 10.652 2.556 -0.964 621 HH TYR 76 HH TYR 76 12.820 1.852 -0.174 622 H ARG 77 HN ARG 77 7.066 1.214 -4.535 623 HA ARG 77 HA ARG 77 8.628 -0.726 -6.088 624 HB2 ARG 77 HB2 ARG 77 6.619 0.119 -7.215 625 HB3 ARG 77 HB1 ARG 77 7.180 1.772 -6.997 626 HG2 ARG 77 HG2 ARG 77 9.059 1.370 -8.457 627 HG3 ARG 77 HG1 ARG 77 8.617 -0.331 -8.603 628 HD2 ARG 77 HD2 ARG 77 6.538 0.279 -9.697 629 HD3 ARG 77 HD1 ARG 77 6.910 1.991 -9.493 630 HE ARG 77 HE ARG 77 9.045 1.090 -10.862 631 HH11 ARG 77 HH11 ARG 77 5.609 0.720 -11.390 632 HH12 ARG 77 HH12 ARG 77 5.747 0.680 -13.116 633 HH21 ARG 77 HH21 ARG 77 9.242 1.022 -13.125 634 HH22 ARG 77 HH22 ARG 77 7.825 0.845 -14.108 635 HA PRO 78 HA PRO 78 11.849 2.027 -4.541 636 HB2 PRO 78 HB2 PRO 78 13.905 0.364 -5.026 637 HB3 PRO 78 HB1 PRO 78 12.852 0.192 -3.621 638 HG2 PRO 78 HG2 PRO 78 12.812 -1.303 -6.212 639 HG3 PRO 78 HG1 PRO 78 12.598 -1.917 -4.562 640 HD2 PRO 78 HD2 PRO 78 10.518 -1.443 -6.244 641 HD3 PRO 78 HD1 PRO 78 10.385 -1.286 -4.481 642 H ASP 79 HN ASP 79 11.840 3.641 -6.044 643 HA ASP 79 HA ASP 79 12.535 3.549 -8.722 644 HB2 ASP 79 HB2 ASP 79 11.660 5.536 -7.459 645 HB3 ASP 79 HB1 ASP 79 13.295 5.765 -6.849 646 H LEU 80 HN LEU 80 14.418 3.441 -9.838 647 HA LEU 80 HA LEU 80 16.465 2.061 -8.478 648 HB2 LEU 80 HB2 LEU 80 15.695 1.547 -10.770 649 HB3 LEU 80 HB1 LEU 80 16.456 3.030 -11.297 650 HG LEU 80 HG LEU 80 18.655 2.141 -10.647 651 HD11 LEU 80 HD11 LEU 80 17.107 -0.362 -9.992 652 HD12 LEU 80 HD12 LEU 80 17.985 0.659 -8.853 653 HD13 LEU 80 HD13 LEU 80 18.863 -0.245 -10.087 654 HD21 LEU 80 HD21 LEU 80 18.821 0.457 -12.420 655 HD22 LEU 80 HD22 LEU 80 17.872 1.854 -12.928 656 HD23 LEU 80 HD23 LEU 80 17.062 0.354 -12.478 657 H LYS 81 HN LYS 81 16.157 5.226 -9.654 658 HA LYS 81 HA LYS 81 18.954 5.805 -9.064 659 HB2 LYS 81 HB2 LYS 81 18.278 8.146 -10.009 660 HB3 LYS 81 HB1 LYS 81 18.587 6.800 -11.091 661 HG2 LYS 81 HG2 LYS 81 15.803 7.397 -10.180 662 HG3 LYS 81 HG1 LYS 81 16.538 8.316 -11.494 663 HD2 LYS 81 HD2 LYS 81 16.917 6.270 -12.748 664 HD3 LYS 81 HD1 LYS 81 16.279 5.309 -11.414 665 HE2 LYS 81 HE2 LYS 81 14.579 5.528 -13.090 666 HE3 LYS 81 HE1 LYS 81 14.109 6.472 -11.680 667 HZ1 LYS 81 HZ1 LYS 81 15.296 7.531 -14.184 668 HZ2 LYS 81 HZ2 LYS 81 14.924 8.461 -12.824 669 HZ3 LYS 81 HZ3 LYS 81 13.689 7.700 -13.690 670 H HIS 82 HN HIS 82 15.754 6.492 -7.856 671 HA HIS 82 HA HIS 82 16.833 8.526 -6.036 672 HB2 HIS 82 HB2 HIS 82 13.966 7.684 -6.485 673 HB3 HIS 82 HB1 HIS 82 14.501 9.027 -5.483 674 HD1 HIS 82 HD1 HIS 82 13.938 7.994 -9.010 675 HD2 HIS 82 HD2 HIS 82 15.309 11.322 -6.910 676 HE1 HIS 82 HE1 HIS 82 13.923 9.908 -10.657 677 HE2 HIS 82 HE2 HIS 82 14.902 11.863 -9.406 678 HA PRO 83 HA PRO 83 16.692 5.367 -2.860 679 HB2 PRO 83 HB2 PRO 83 18.425 6.522 -1.187 680 HB3 PRO 83 HB1 PRO 83 18.961 5.775 -2.695 681 HG2 PRO 83 HG2 PRO 83 18.635 8.654 -2.016 682 HG3 PRO 83 HG1 PRO 83 19.826 7.876 -3.070 683 HD2 PRO 83 HD2 PRO 83 17.470 9.186 -3.884 684 HD3 PRO 83 HD1 PRO 83 18.501 8.152 -4.889 685 H LEU 84 HN LEU 84 14.876 5.309 -1.669 686 HA LEU 84 HA LEU 84 14.238 7.566 0.099 687 HB2 LEU 84 HB2 LEU 84 12.623 5.034 -0.281 688 HB3 LEU 84 HB1 LEU 84 12.100 6.512 0.493 689 HG LEU 84 HG LEU 84 12.377 7.598 -1.841 690 HD11 LEU 84 HD11 LEU 84 12.218 4.691 -2.626 691 HD12 LEU 84 HD12 LEU 84 13.570 5.784 -2.923 692 HD13 LEU 84 HD13 LEU 84 12.020 6.064 -3.716 693 HD21 LEU 84 HD21 LEU 84 10.239 7.276 -0.757 694 HD22 LEU 84 HD22 LEU 84 10.194 5.596 -1.287 695 HD23 LEU 84 HD23 LEU 84 10.111 6.899 -2.474 696 H CYS 85 HN CYS 85 14.333 7.289 2.385 697 HA CYS 85 HA CYS 85 15.467 4.761 3.177 698 HB2 CYS 85 HB2 CYS 85 17.569 5.390 3.478 699 HB3 CYS 85 HB1 CYS 85 17.158 6.480 2.169 700 H GLY 86 HN GLY 86 13.615 7.236 4.085 701 HA2 GLY 86 HA2 GLY 86 14.005 6.464 6.895 702 HA3 GLY 86 HA1 GLY 86 13.128 7.901 6.395 703 H LYS 87 HN LYS 87 11.009 7.526 5.258 704 HA LYS 87 HA LYS 87 10.195 4.952 4.582 705 HB2 LYS 87 HB2 LYS 87 8.482 4.375 6.022 706 HB3 LYS 87 HB1 LYS 87 9.830 4.774 7.075 707 HG2 LYS 87 HG2 LYS 87 7.511 6.610 6.473 708 HG3 LYS 87 HG1 LYS 87 7.631 5.578 7.894 709 HD2 LYS 87 HD2 LYS 87 9.647 7.706 7.191 710 HD3 LYS 87 HD1 LYS 87 8.270 7.975 8.262 711 HE2 LYS 87 HE2 LYS 87 9.113 6.108 9.686 712 HE3 LYS 87 HE1 LYS 87 10.550 6.046 8.667 713 HZ1 LYS 87 HZ1 LYS 87 9.662 8.430 10.191 714 HZ2 LYS 87 HZ2 LYS 87 11.086 8.288 9.294 715 HZ3 LYS 87 HZ3 LYS 87 10.872 7.362 10.691 716 H ARG 88 HN ARG 88 9.047 5.397 2.728 717 HA ARG 88 HA ARG 88 6.592 6.618 3.309 718 HB2 ARG 88 HB2 ARG 88 6.609 8.357 1.505 719 HB3 ARG 88 HB1 ARG 88 7.650 8.692 2.876 720 HG2 ARG 88 HG2 ARG 88 9.599 8.058 1.611 721 HG3 ARG 88 HG1 ARG 88 8.587 7.567 0.250 722 HD2 ARG 88 HD2 ARG 88 7.833 9.845 -0.056 723 HD3 ARG 88 HD1 ARG 88 8.732 10.364 1.368 724 HE ARG 88 HE ARG 88 10.755 9.546 0.019 725 HH11 ARG 88 HH11 ARG 88 7.881 10.956 -1.408 726 HH12 ARG 88 HH12 ARG 88 8.738 11.634 -2.759 727 HH21 ARG 88 HH21 ARG 88 11.879 10.439 -1.756 728 HH22 ARG 88 HH22 ARG 88 11.014 11.343 -2.961 729 H TYR 89 HN TYR 89 5.534 4.764 2.676 730 HA TYR 89 HA TYR 89 4.802 5.076 -0.092 731 HB2 TYR 89 HB2 TYR 89 6.505 2.929 0.609 732 HB3 TYR 89 HB1 TYR 89 4.914 2.244 0.278 733 HD1 TYR 89 HD1 TYR 89 3.789 2.846 -1.927 734 HD2 TYR 89 HD2 TYR 89 7.902 3.613 -1.153 735 HE1 TYR 89 HE1 TYR 89 4.200 3.049 -4.342 736 HE2 TYR 89 HE2 TYR 89 8.324 3.813 -3.566 737 HH TYR 89 HH TYR 89 5.937 4.221 -5.820 738 H GLU 90 HN GLU 90 2.714 5.657 0.338 739 HA GLU 90 HA GLU 90 1.130 3.567 1.698 740 HB2 GLU 90 HB2 GLU 90 0.847 5.171 3.290 741 HB3 GLU 90 HB1 GLU 90 1.176 6.489 2.195 742 HG2 GLU 90 HG2 GLU 90 -1.124 6.127 1.239 743 HG3 GLU 90 HG1 GLU 90 -1.408 4.989 2.554 744 H LEU 91 HN LEU 91 -0.681 2.906 0.741 745 HA LEU 91 HA LEU 91 -1.712 4.546 -1.474 746 HB2 LEU 91 HB2 LEU 91 -2.379 1.625 -1.128 747 HB3 LEU 91 HB1 LEU 91 -2.668 2.643 -2.510 748 HG LEU 91 HG LEU 91 -0.949 1.171 -3.143 749 HD11 LEU 91 HD11 LEU 91 0.946 2.633 -3.586 750 HD12 LEU 91 HD12 LEU 91 0.337 3.786 -2.400 751 HD13 LEU 91 HD13 LEU 91 -0.590 3.454 -3.864 752 HD21 LEU 91 HD21 LEU 91 1.134 0.866 -1.898 753 HD22 LEU 91 HD22 LEU 91 -0.272 0.361 -0.963 754 HD23 LEU 91 HD23 LEU 91 0.513 1.900 -0.612 755 H SER 92 HN SER 92 -3.677 5.376 -1.128 756 HA SER 92 HA SER 92 -4.904 4.666 1.435 757 HB2 SER 92 HB2 SER 92 -5.414 7.096 -0.255 758 HB3 SER 92 HB1 SER 92 -5.979 6.830 1.387 759 HG SER 92 HG SER 92 -3.237 6.659 0.969 760 H ALA 93 HN ALA 93 -6.847 3.765 1.537 761 HA ALA 93 HA ALA 93 -7.854 2.905 -1.041 762 HB1 ALA 93 HB1 ALA 93 -9.010 1.815 1.413 763 HB2 ALA 93 HB2 ALA 93 -7.301 1.484 1.126 764 HB3 ALA 93 HB3 ALA 93 -8.508 1.023 -0.092 765 H ARG 94 HN ARG 94 -10.027 3.109 -1.544 766 HA ARG 94 HA ARG 94 -12.035 4.179 -1.651 767 HB2 ARG 94 HB2 ARG 94 -11.618 5.007 1.181 768 HB3 ARG 94 HB1 ARG 94 -13.088 4.910 0.249 769 HG2 ARG 94 HG2 ARG 94 -11.461 2.484 0.867 770 HG3 ARG 94 HG1 ARG 94 -12.707 3.084 1.957 771 HD2 ARG 94 HD2 ARG 94 -13.278 2.499 -0.927 772 HD3 ARG 94 HD1 ARG 94 -13.334 1.239 0.300 773 HE ARG 94 HE ARG 94 -15.125 3.569 0.131 774 HH11 ARG 94 HH11 ARG 94 -14.319 0.441 1.475 775 HH12 ARG 94 HH12 ARG 94 -15.886 0.183 2.161 776 HH21 ARG 94 HH21 ARG 94 -17.204 3.238 1.044 777 HH22 ARG 94 HH22 ARG 94 -17.527 1.776 1.929 778 H MET 95 HN MET 95 -11.872 6.702 0.480 779 HA MET 95 HA MET 95 -12.412 8.796 -0.205 780 HB2 MET 95 HB2 MET 95 -9.673 8.479 -1.465 781 HB3 MET 95 HB1 MET 95 -10.468 10.005 -1.120 782 HG2 MET 95 HG2 MET 95 -10.179 9.810 1.146 783 HG3 MET 95 HG1 MET 95 -10.017 8.055 1.077 784 HE1 MET 95 HE1 MET 95 -8.165 10.624 -1.284 785 HE2 MET 95 HE2 MET 95 -6.722 10.982 -0.336 786 HE3 MET 95 HE3 MET 95 -8.308 11.496 0.241 787 H ASP 96 HN ASP 96 -13.284 6.673 -1.949 788 HA ASP 96 HA ASP 96 -14.382 6.371 -3.902 789 HB2 ASP 96 HB2 ASP 96 -14.992 8.771 -3.777 790 HB3 ASP 96 HB1 ASP 96 -13.524 9.168 -4.663 791 H ALA 97 HN ALA 97 -11.483 5.823 -3.466 792 HA ALA 97 HA ALA 97 -10.934 4.654 -5.990 793 HB1 ALA 97 HB1 ALA 97 -8.878 5.953 -6.654 794 HB2 ALA 97 HB2 ALA 97 -9.352 7.185 -5.458 795 HB3 ALA 97 HB3 ALA 97 -10.401 6.858 -6.838 796 H ILE 98 HN ILE 98 -8.168 4.616 -5.940 797 HA ILE 98 HA ILE 98 -7.325 4.226 -3.167 798 HB ILE 98 HB ILE 98 -6.642 2.624 -5.628 799 HG12 ILE 98 HG12 ILE 98 -8.407 2.225 -3.552 800 HG13 ILE 98 HG11 ILE 98 -7.686 0.921 -4.501 801 HG21 ILE 98 HG21 ILE 98 -4.737 1.645 -4.355 802 HG22 ILE 98 HG22 ILE 98 -5.028 2.770 -3.027 803 HG23 ILE 98 HG23 ILE 98 -4.492 3.381 -4.597 804 HD11 ILE 98 HD11 ILE 98 -6.077 0.541 -2.846 805 HD12 ILE 98 HD12 ILE 98 -7.623 0.723 -2.012 806 HD13 ILE 98 HD13 ILE 98 -6.463 2.070 -2.041 807 H TYR 99 HN TYR 99 -6.023 5.842 -2.673 808 HA TYR 99 HA TYR 99 -4.716 7.252 -4.910 809 HB2 TYR 99 HB2 TYR 99 -5.242 8.288 -2.108 810 HB3 TYR 99 HB1 TYR 99 -4.369 9.176 -3.373 811 HD1 TYR 99 HD1 TYR 99 -7.654 7.443 -2.883 812 HD2 TYR 99 HD2 TYR 99 -5.564 10.745 -4.561 813 HE1 TYR 99 HE1 TYR 99 -9.779 8.365 -3.697 814 HE2 TYR 99 HE2 TYR 99 -7.688 11.680 -5.375 815 HH TYR 99 HH TYR 99 -10.729 10.497 -4.368 816 H PHE 100 HN PHE 100 -2.776 8.524 -3.769 817 HA PHE 100 HA PHE 100 -0.839 6.438 -3.281 818 HB2 PHE 100 HB2 PHE 100 0.699 8.273 -3.941 819 HB3 PHE 100 HB1 PHE 100 -0.600 8.065 -5.128 820 HD1 PHE 100 HD1 PHE 100 0.821 10.273 -2.588 821 HD2 PHE 100 HD2 PHE 100 -2.468 9.683 -5.230 822 HE1 PHE 100 HE1 PHE 100 0.182 12.632 -2.319 823 HE2 PHE 100 HE2 PHE 100 -3.112 12.040 -4.959 824 HZ PHE 100 HZ PHE 100 -1.869 13.482 -3.409 825 H LYS 101 HN LYS 101 1.055 7.219 -1.931 826 HA LYS 101 HA LYS 101 0.646 9.694 -0.443 827 HB2 LYS 101 HB2 LYS 101 0.399 7.740 1.135 828 HB3 LYS 101 HB1 LYS 101 2.048 7.296 0.720 829 HG2 LYS 101 HG2 LYS 101 1.373 9.987 1.866 830 HG3 LYS 101 HG1 LYS 101 1.671 8.585 2.890 831 HD2 LYS 101 HD2 LYS 101 3.896 8.337 1.856 832 HD3 LYS 101 HD1 LYS 101 3.588 9.778 0.885 833 HE2 LYS 101 HE2 LYS 101 3.752 9.630 3.892 834 HE3 LYS 101 HE1 LYS 101 4.943 10.345 2.809 835 HZ1 LYS 101 HZ1 LYS 101 2.172 11.306 3.262 836 HZ2 LYS 101 HZ2 LYS 101 3.236 11.954 2.116 837 HZ3 LYS 101 HZ3 LYS 101 3.598 12.061 3.764 838 H MET 102 HN MET 102 2.334 10.993 -0.844 839 HA MET 102 HA MET 102 3.349 10.531 -3.344 840 HB2 MET 102 HB2 MET 102 2.909 12.740 -2.399 841 HB3 MET 102 HB1 MET 102 4.297 12.565 -1.333 842 HG2 MET 102 HG2 MET 102 5.803 12.563 -3.191 843 HG3 MET 102 HG1 MET 102 4.460 12.526 -4.331 844 HE1 MET 102 HE1 MET 102 6.334 14.657 -1.610 845 HE2 MET 102 HE2 MET 102 4.674 14.652 -1.017 846 HE3 MET 102 HE3 MET 102 5.391 16.147 -1.616 847 H ASP 103 HN ASP 103 4.638 8.850 -3.711 848 HA ASP 103 HA ASP 103 7.267 8.782 -2.500 849 HB2 ASP 103 HB2 ASP 103 7.721 6.884 -3.928 850 HB3 ASP 103 HB1 ASP 103 6.142 6.659 -3.194 851 H GLU 104 HN GLU 104 8.825 8.320 -4.848 852 HA GLU 104 HA GLU 104 9.391 11.032 -5.401 853 HB2 GLU 104 HB2 GLU 104 11.036 9.136 -5.333 854 HB3 GLU 104 HB1 GLU 104 10.451 8.700 -6.928 855 HG2 GLU 104 HG2 GLU 104 12.513 10.049 -6.981 856 HG3 GLU 104 HG1 GLU 104 11.164 10.794 -7.839 857 H ARG 105 HN ARG 105 7.416 8.691 -7.011 858 HA ARG 105 HA ARG 105 7.401 10.091 -9.552 859 HB2 ARG 105 HB2 ARG 105 5.584 7.887 -8.570 860 HB3 ARG 105 HB1 ARG 105 5.796 8.405 -10.235 861 HG2 ARG 105 HG2 ARG 105 7.902 7.435 -10.400 862 HG3 ARG 105 HG1 ARG 105 8.108 7.358 -8.646 863 HD2 ARG 105 HD2 ARG 105 6.252 5.709 -10.350 864 HD3 ARG 105 HD1 ARG 105 7.646 5.145 -9.422 865 HE ARG 105 HE ARG 105 6.148 6.240 -7.499 866 HH11 ARG 105 HH11 ARG 105 5.348 3.969 -10.048 867 HH12 ARG 105 HH12 ARG 105 3.991 3.302 -9.198 868 HH21 ARG 105 HH21 ARG 105 4.358 5.412 -6.390 869 HH22 ARG 105 HH22 ARG 105 3.422 4.123 -7.106 870 HA PRO 106 HA PRO 106 4.021 12.877 -8.728 871 HB2 PRO 106 HB2 PRO 106 2.993 12.246 -11.424 872 HB3 PRO 106 HB1 PRO 106 3.523 13.792 -10.758 873 HG2 PRO 106 HG2 PRO 106 4.994 12.485 -12.569 874 HG3 PRO 106 HG1 PRO 106 5.748 13.392 -11.244 875 HD2 PRO 106 HD2 PRO 106 5.320 10.439 -11.518 876 HD3 PRO 106 HD1 PRO 106 6.731 11.323 -10.897 877 HA PRO 107 HA PRO 107 0.870 9.823 -7.758 878 HB2 PRO 107 HB2 PRO 107 -0.181 11.021 -5.644 879 HB3 PRO 107 HB1 PRO 107 1.504 10.427 -5.615 880 HG2 PRO 107 HG2 PRO 107 0.527 13.232 -6.051 881 HG3 PRO 107 HG1 PRO 107 1.850 12.660 -5.017 882 HD2 PRO 107 HD2 PRO 107 2.175 13.672 -7.571 883 HD3 PRO 107 HD1 PRO 107 3.332 12.604 -6.753 884 H GLN 108 HN GLN 108 -1.493 9.871 -7.319 885 HA GLN 108 HA GLN 108 -3.212 11.991 -7.946 886 HB2 GLN 108 HB2 GLN 108 -3.988 11.329 -10.165 887 HB3 GLN 108 HB1 GLN 108 -2.271 11.679 -10.235 888 HG2 GLN 108 HG2 GLN 108 -1.730 9.354 -10.294 889 HG3 GLN 108 HG1 GLN 108 -3.407 8.905 -9.987 890 HE21 GLN 108 HE21 GLN 108 -1.132 10.052 -12.337 891 HE22 GLN 108 HE22 GLN 108 -2.147 9.846 -13.720 892 HA PRO 109 HA PRO 109 -6.174 8.635 -6.724 893 HB2 PRO 109 HB2 PRO 109 -7.611 8.865 -9.314 894 HB3 PRO 109 HB1 PRO 109 -8.253 8.939 -7.668 895 HG2 PRO 109 HG2 PRO 109 -8.046 11.147 -9.158 896 HG3 PRO 109 HG1 PRO 109 -7.707 11.181 -7.418 897 HD2 PRO 109 HD2 PRO 109 -5.804 11.171 -9.723 898 HD3 PRO 109 HD1 PRO 109 -5.707 12.057 -8.187 899 H LEU 110 HN LEU 110 -4.655 7.020 -6.872 900 HA LEU 110 HA LEU 110 -3.372 6.385 -9.284 901 HB2 LEU 110 HB2 LEU 110 -2.634 6.238 -6.766 902 HB3 LEU 110 HB1 LEU 110 -3.237 4.606 -6.895 903 HG LEU 110 HG LEU 110 -0.793 4.758 -7.197 904 HD11 LEU 110 HD11 LEU 110 -1.938 2.898 -8.213 905 HD12 LEU 110 HD12 LEU 110 -0.638 3.446 -9.270 906 HD13 LEU 110 HD13 LEU 110 -2.309 3.866 -9.640 907 HD21 LEU 110 HD21 LEU 110 -0.728 6.973 -8.245 908 HD22 LEU 110 HD22 LEU 110 -1.450 6.296 -9.705 909 HD23 LEU 110 HD23 LEU 110 0.149 5.768 -9.187 910 H ASN 111 HN ASN 111 -6.113 5.043 -7.662 911 HA ASN 111 HA ASN 111 -6.716 3.295 -9.826 912 HB2 ASN 111 HB2 ASN 111 -4.759 2.148 -8.449 913 HB3 ASN 111 HB1 ASN 111 -6.048 1.782 -7.307 914 HD21 ASN 111 HD21 ASN 111 -4.392 0.040 -8.987 915 HD22 ASN 111 HD22 ASN 111 -5.505 -0.903 -9.917 916 H LYS 112 HN LYS 112 -8.383 1.539 -8.438 917 HA LYS 112 HA LYS 112 -9.556 3.064 -6.295 918 HB2 LYS 112 HB2 LYS 112 -11.791 2.734 -7.085 919 HB3 LYS 112 HB1 LYS 112 -10.875 3.581 -8.299 920 HG2 LYS 112 HG2 LYS 112 -11.355 0.623 -8.405 921 HG3 LYS 112 HG1 LYS 112 -12.485 1.789 -9.089 922 HD2 LYS 112 HD2 LYS 112 -10.705 2.643 -10.549 923 HD3 LYS 112 HD1 LYS 112 -9.588 1.458 -9.868 924 HE2 LYS 112 HE2 LYS 112 -10.984 -0.357 -10.684 925 HE3 LYS 112 HE1 LYS 112 -12.151 0.803 -11.310 926 HZ1 LYS 112 HZ1 LYS 112 -9.343 0.538 -12.225 927 HZ2 LYS 112 HZ2 LYS 112 -10.490 1.608 -12.848 928 HZ3 LYS 112 HZ3 LYS 112 -10.700 -0.059 -13.038 929 H TRP 113 HN TRP 113 -10.627 1.841 -4.825 930 HA TRP 113 HA TRP 113 -9.634 -0.705 -4.299 931 HB2 TRP 113 HB2 TRP 113 -11.488 -0.733 -2.594 932 HB3 TRP 113 HB1 TRP 113 -10.356 0.609 -2.475 933 HD1 TRP 113 HD1 TRP 113 -11.353 3.005 -3.627 934 HE1 TRP 113 HE1 TRP 113 -13.757 3.923 -3.610 935 HE3 TRP 113 HE3 TRP 113 -13.870 -1.299 -2.493 936 HZ2 TRP 113 HZ2 TRP 113 -16.364 2.959 -3.161 937 HZ3 TRP 113 HZ3 TRP 113 -16.318 -1.209 -2.283 938 HH2 TRP 113 HH2 TRP 113 -17.537 0.878 -2.610 939 H ARG 114 HN ARG 114 -10.134 -2.537 -5.139 940 HA ARG 114 HA ARG 114 -10.954 -4.023 -6.567 941 HB2 ARG 114 HB2 ARG 114 -13.274 -4.790 -5.976 942 HB3 ARG 114 HB1 ARG 114 -12.068 -4.814 -4.708 943 HG2 ARG 114 HG2 ARG 114 -13.055 -2.853 -3.703 944 HG3 ARG 114 HG1 ARG 114 -14.185 -2.690 -5.050 945 HD2 ARG 114 HD2 ARG 114 -15.202 -4.821 -4.483 946 HD3 ARG 114 HD1 ARG 114 -14.032 -5.063 -3.191 947 HE ARG 114 HE ARG 114 -15.059 -3.035 -2.145 948 HH11 ARG 114 HH11 ARG 114 -16.907 -4.948 -4.423 949 HH12 ARG 114 HH12 ARG 114 -18.430 -4.587 -3.683 950 HH21 ARG 114 HH21 ARG 114 -17.076 -2.553 -1.181 951 HH22 ARG 114 HH22 ARG 114 -18.529 -3.217 -1.860 952 H SER 115 HN SER 115 -12.653 -4.713 -8.079 953 HA SER 115 HA SER 115 -13.616 -4.474 -10.095 954 HB2 SER 115 HB2 SER 115 -15.477 -2.749 -10.197 955 HB3 SER 115 HB1 SER 115 -15.589 -3.942 -8.910 956 HG SER 115 HG SER 115 -14.213 -1.654 -8.228 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 19.941 -3.193 2.836 2 H2 ALA 1 HT2 ALA 1 19.829 -1.534 2.508 3 H3 ALA 1 HT3 ALA 1 21.260 -2.173 3.127 4 HA ALA 1 HA ALA 1 21.653 -3.410 1.138 5 HB1 ALA 1 HB1 ALA 1 20.138 -2.921 -0.850 6 HB2 ALA 1 HB2 ALA 1 18.978 -2.262 0.298 7 HB3 ALA 1 HB3 ALA 1 19.442 -3.955 0.392 8 H MET 2 HN MET 2 23.447 -2.221 0.991 9 HA MET 2 HA MET 2 24.903 -0.601 0.385 10 HB2 MET 2 HB2 MET 2 22.600 0.249 -1.367 11 HB3 MET 2 HB1 MET 2 24.192 0.992 -1.431 12 HG2 MET 2 HG2 MET 2 25.178 -1.145 -2.049 13 HG3 MET 2 HG1 MET 2 23.594 -1.909 -1.954 14 HE1 MET 2 HE1 MET 2 23.782 -2.881 -4.408 15 HE2 MET 2 HE2 MET 2 25.410 -2.209 -4.489 16 HE3 MET 2 HE3 MET 2 24.269 -1.913 -5.800 17 H GLY 3 HN GLY 3 23.183 -0.189 2.711 18 HA2 GLY 3 HA2 GLY 3 22.811 1.435 4.296 19 HA3 GLY 3 HA1 GLY 3 23.972 2.416 3.418 20 H CYS 4 HN CYS 4 20.573 1.559 3.697 21 HA CYS 4 HA CYS 4 19.837 4.102 2.530 22 HB2 CYS 4 HB2 CYS 4 20.171 2.019 0.857 23 HB3 CYS 4 HB1 CYS 4 18.473 1.858 1.260 24 H LYS 5 HN LYS 5 17.552 4.578 2.711 25 HA LYS 5 HA LYS 5 16.791 4.481 5.338 26 HB2 LYS 5 HB2 LYS 5 16.072 6.004 3.433 27 HB3 LYS 5 HB1 LYS 5 14.804 4.815 3.248 28 HG2 LYS 5 HG2 LYS 5 13.935 6.598 4.550 29 HG3 LYS 5 HG1 LYS 5 14.140 5.197 5.597 30 HD2 LYS 5 HD2 LYS 5 16.198 6.128 6.480 31 HD3 LYS 5 HD1 LYS 5 16.081 7.495 5.369 32 HE2 LYS 5 HE2 LYS 5 14.140 6.815 7.577 33 HE3 LYS 5 HE1 LYS 5 15.325 8.120 7.600 34 HZ1 LYS 5 HZ1 LYS 5 14.170 9.103 5.684 35 HZ2 LYS 5 HZ2 LYS 5 13.168 8.984 7.039 36 HZ3 LYS 5 HZ3 LYS 5 12.997 7.888 5.767 37 H GLU 6 HN GLU 6 15.051 3.653 6.482 38 HA GLU 6 HA GLU 6 14.024 1.082 5.661 39 HB2 GLU 6 HB2 GLU 6 13.243 2.709 8.081 40 HB3 GLU 6 HB1 GLU 6 13.031 0.979 7.835 41 HG2 GLU 6 HG2 GLU 6 14.871 0.883 9.125 42 HG3 GLU 6 HG1 GLU 6 15.664 1.099 7.564 43 H ILE 7 HN ILE 7 11.781 0.653 5.349 44 HA ILE 7 HA ILE 7 10.343 3.043 4.381 45 HB ILE 7 HB ILE 7 9.763 0.288 3.381 46 HG12 ILE 7 HG12 ILE 7 12.126 0.632 3.108 47 HG13 ILE 7 HG11 ILE 7 11.302 0.658 1.562 48 HG21 ILE 7 HG21 ILE 7 9.713 2.784 1.771 49 HG22 ILE 7 HG22 ILE 7 8.398 2.463 2.914 50 HG23 ILE 7 HG23 ILE 7 8.734 1.321 1.613 51 HD11 ILE 7 HD11 ILE 7 11.191 3.216 2.227 52 HD12 ILE 7 HD12 ILE 7 12.468 2.476 1.250 53 HD13 ILE 7 HD13 ILE 7 12.728 2.763 2.975 54 H GLU 8 HN GLU 8 8.148 3.105 4.564 55 HA GLU 8 HA GLU 8 6.858 1.027 6.174 56 HB2 GLU 8 HB2 GLU 8 6.518 4.011 6.507 57 HB3 GLU 8 HB1 GLU 8 5.528 2.793 7.297 58 HG2 GLU 8 HG2 GLU 8 7.555 1.906 8.392 59 HG3 GLU 8 HG1 GLU 8 8.480 3.218 7.666 60 H ILE 9 HN ILE 9 5.384 0.126 4.902 61 HA ILE 9 HA ILE 9 4.104 1.756 2.869 62 HB ILE 9 HB ILE 9 3.181 -0.668 2.251 63 HG12 ILE 9 HG12 ILE 9 5.259 -1.380 4.014 64 HG13 ILE 9 HG11 ILE 9 4.317 -2.420 2.974 65 HG21 ILE 9 HG21 ILE 9 4.773 -0.680 0.444 66 HG22 ILE 9 HG22 ILE 9 5.790 0.441 1.347 67 HG23 ILE 9 HG23 ILE 9 4.205 0.962 0.772 68 HD11 ILE 9 HD11 ILE 9 5.872 -2.049 1.186 69 HD12 ILE 9 HD12 ILE 9 6.676 -2.720 2.610 70 HD13 ILE 9 HD13 ILE 9 6.830 -1.001 2.225 71 H VAL 10 HN VAL 10 2.242 2.600 3.374 72 HA VAL 10 HA VAL 10 0.662 1.375 5.527 73 HB VAL 10 HB VAL 10 0.626 3.379 6.435 74 HG11 VAL 10 HG11 VAL 10 1.605 5.366 5.420 75 HG12 VAL 10 HG12 VAL 10 1.689 4.534 3.869 76 HG13 VAL 10 HG13 VAL 10 2.652 3.962 5.231 77 HG21 VAL 10 HG21 VAL 10 -0.809 5.135 5.435 78 HG22 VAL 10 HG22 VAL 10 -1.561 3.536 5.482 79 HG23 VAL 10 HG23 VAL 10 -0.896 4.157 3.966 80 H ILE 11 HN ILE 11 -1.349 0.774 5.296 81 HA ILE 11 HA ILE 11 -2.752 1.477 2.820 82 HB ILE 11 HB ILE 11 -3.115 -0.884 4.644 83 HG12 ILE 11 HG12 ILE 11 -1.301 -1.291 3.211 84 HG13 ILE 11 HG11 ILE 11 -2.673 -2.155 2.516 85 HG21 ILE 11 HG21 ILE 11 -4.840 -1.594 2.896 86 HG22 ILE 11 HG22 ILE 11 -4.868 0.112 2.439 87 HG23 ILE 11 HG23 ILE 11 -5.303 -0.371 4.089 88 HD11 ILE 11 HD11 ILE 11 -1.543 0.464 1.655 89 HD12 ILE 11 HD12 ILE 11 -3.032 -0.233 1.029 90 HD13 ILE 11 HD13 ILE 11 -1.496 -1.067 0.775 91 H LYS 12 HN LYS 12 -4.147 3.018 3.133 92 HA LYS 12 HA LYS 12 -5.567 3.235 5.707 93 HB2 LYS 12 HB2 LYS 12 -4.138 5.139 4.306 94 HB3 LYS 12 HB1 LYS 12 -5.796 5.443 3.767 95 HG2 LYS 12 HG2 LYS 12 -5.148 5.237 6.669 96 HG3 LYS 12 HG1 LYS 12 -4.897 6.739 5.786 97 HD2 LYS 12 HD2 LYS 12 -7.266 6.711 5.114 98 HD3 LYS 12 HD1 LYS 12 -7.500 5.247 6.070 99 HE2 LYS 12 HE2 LYS 12 -8.238 7.230 7.290 100 HE3 LYS 12 HE1 LYS 12 -6.879 6.446 8.093 101 HZ1 LYS 12 HZ1 LYS 12 -5.401 8.104 7.212 102 HZ2 LYS 12 HZ2 LYS 12 -6.674 8.877 8.010 103 HZ3 LYS 12 HZ3 LYS 12 -6.649 8.818 6.322 104 H ASN 13 HN ASN 13 -7.865 3.744 5.538 105 HA ASN 13 HA ASN 13 -9.015 3.704 2.860 106 HB2 ASN 13 HB2 ASN 13 -9.263 1.428 3.790 107 HB3 ASN 13 HB1 ASN 13 -10.152 2.087 5.157 108 HD21 ASN 13 HD21 ASN 13 -10.942 0.164 3.065 109 HD22 ASN 13 HD22 ASN 13 -12.363 0.822 2.346 110 H THR 14 HN THR 14 -10.524 5.253 2.623 111 HA THR 14 HA THR 14 -11.662 6.557 4.872 112 HB THR 14 HB THR 14 -9.501 7.476 5.180 113 HG1 THR 14 HG1 THR 14 -10.021 9.571 5.128 114 HG21 THR 14 HG21 THR 14 -8.610 6.845 3.048 115 HG22 THR 14 HG22 THR 14 -8.295 8.557 3.355 116 HG23 THR 14 HG23 THR 14 -9.595 8.081 2.249 117 H LEU 15 HN LEU 15 -13.426 5.849 3.261 118 HA LEU 15 HA LEU 15 -13.872 8.008 1.427 119 HB2 LEU 15 HB2 LEU 15 -15.784 5.737 2.022 120 HB3 LEU 15 HB1 LEU 15 -15.964 6.941 0.802 121 HG LEU 15 HG LEU 15 -14.211 6.074 -0.476 122 HD11 LEU 15 HD11 LEU 15 -12.666 5.677 1.056 123 HD12 LEU 15 HD12 LEU 15 -12.951 4.128 0.238 124 HD13 LEU 15 HD13 LEU 15 -13.613 4.423 1.865 125 HD21 LEU 15 HD21 LEU 15 -16.336 4.908 -0.733 126 HD22 LEU 15 HD22 LEU 15 -15.886 3.812 0.574 127 HD23 LEU 15 HD23 LEU 15 -14.985 3.794 -0.942 128 H GLY 16 HN GLY 16 -14.813 6.784 4.535 129 HA2 GLY 16 HA2 GLY 16 -16.058 8.796 5.769 130 HA3 GLY 16 HA1 GLY 16 -17.328 8.202 4.700 131 HA PRO 17 HA PRO 17 -17.531 6.188 8.902 132 HB2 PRO 17 HB2 PRO 17 -20.286 5.678 7.878 133 HB3 PRO 17 HB1 PRO 17 -19.761 6.236 9.471 134 HG2 PRO 17 HG2 PRO 17 -20.810 7.950 7.741 135 HG3 PRO 17 HG1 PRO 17 -19.418 8.417 8.736 136 HD2 PRO 17 HD2 PRO 17 -19.512 7.649 5.850 137 HD3 PRO 17 HD1 PRO 17 -18.528 8.887 6.656 138 H SER 18 HN SER 18 -16.793 4.217 9.219 139 HA SER 18 HA SER 18 -16.433 1.977 9.125 140 HB2 SER 18 HB2 SER 18 -19.226 1.931 7.959 141 HB3 SER 18 HB1 SER 18 -18.361 0.545 8.625 142 HG SER 18 HG SER 18 -18.546 2.770 10.272 143 H ARG 19 HN ARG 19 -15.457 3.483 6.914 144 HA ARG 19 HA ARG 19 -15.817 1.849 4.591 145 HB2 ARG 19 HB2 ARG 19 -14.234 4.243 5.275 146 HB3 ARG 19 HB1 ARG 19 -13.514 3.166 4.097 147 HG2 ARG 19 HG2 ARG 19 -14.889 5.059 3.263 148 HG3 ARG 19 HG1 ARG 19 -15.260 3.469 2.598 149 HD2 ARG 19 HD2 ARG 19 -16.761 4.469 4.966 150 HD3 ARG 19 HD1 ARG 19 -17.172 5.095 3.370 151 HE ARG 19 HE ARG 19 -17.075 2.227 3.463 152 HH11 ARG 19 HH11 ARG 19 -19.075 5.041 4.025 153 HH12 ARG 19 HH12 ARG 19 -20.565 4.170 3.896 154 HH21 ARG 19 HH21 ARG 19 -19.039 1.070 3.281 155 HH22 ARG 19 HH22 ARG 19 -20.546 1.906 3.465 156 H ILE 20 HN ILE 20 -15.131 -0.165 4.621 157 HA ILE 20 HA ILE 20 -12.343 -0.586 5.392 158 HB ILE 20 HB ILE 20 -14.066 -2.945 5.774 159 HG12 ILE 20 HG12 ILE 20 -15.264 -1.018 6.827 160 HG13 ILE 20 HG11 ILE 20 -14.922 -2.369 7.879 161 HG21 ILE 20 HG21 ILE 20 -12.538 -3.331 7.631 162 HG22 ILE 20 HG22 ILE 20 -11.803 -1.766 7.338 163 HG23 ILE 20 HG23 ILE 20 -11.636 -3.047 6.138 164 HD11 ILE 20 HD11 ILE 20 -14.522 -0.207 8.934 165 HD12 ILE 20 HD12 ILE 20 -13.350 0.157 7.666 166 HD13 ILE 20 HD13 ILE 20 -13.045 -1.170 8.778 167 H LEU 21 HN LEU 21 -11.400 -2.328 4.479 168 HA LEU 21 HA LEU 21 -12.454 -3.664 2.134 169 HB2 LEU 21 HB2 LEU 21 -10.191 -1.658 2.036 170 HB3 LEU 21 HB1 LEU 21 -10.198 -3.025 0.912 171 HG LEU 21 HG LEU 21 -12.257 -0.814 1.124 172 HD11 LEU 21 HD11 LEU 21 -10.458 -1.647 -1.139 173 HD12 LEU 21 HD12 LEU 21 -10.167 -0.282 -0.060 174 HD13 LEU 21 HD13 LEU 21 -11.575 -0.283 -1.121 175 HD21 LEU 21 HD21 LEU 21 -13.465 -2.838 0.697 176 HD22 LEU 21 HD22 LEU 21 -12.292 -3.339 -0.520 177 HD23 LEU 21 HD23 LEU 21 -13.331 -1.945 -0.818 178 H GLN 22 HN GLN 22 -10.379 -5.367 1.584 179 HA GLN 22 HA GLN 22 -8.714 -5.397 4.020 180 HB2 GLN 22 HB2 GLN 22 -10.436 -7.198 4.148 181 HB3 GLN 22 HB1 GLN 22 -9.834 -7.864 2.635 182 HG2 GLN 22 HG2 GLN 22 -7.569 -7.775 3.899 183 HG3 GLN 22 HG1 GLN 22 -8.603 -7.841 5.321 184 HE21 GLN 22 HE21 GLN 22 -9.367 -9.365 2.263 185 HE22 GLN 22 HE22 GLN 22 -9.243 -10.996 2.826 186 H TYR 23 HN TYR 23 -6.610 -5.205 3.425 187 HA TYR 23 HA TYR 23 -5.944 -5.701 0.625 188 HB2 TYR 23 HB2 TYR 23 -4.111 -4.252 0.814 189 HB3 TYR 23 HB1 TYR 23 -5.412 -3.431 1.651 190 HD1 TYR 23 HD1 TYR 23 -5.371 -3.343 4.161 191 HD2 TYR 23 HD2 TYR 23 -2.195 -5.009 1.920 192 HE1 TYR 23 HE1 TYR 23 -3.909 -3.174 6.134 193 HE2 TYR 23 HE2 TYR 23 -0.711 -4.854 3.875 194 HH TYR 23 HH TYR 23 -0.588 -3.421 5.963 195 H HIS 24 HN HIS 24 -4.135 -6.826 0.041 196 HA HIS 24 HA HIS 24 -2.704 -8.185 2.209 197 HB2 HIS 24 HB2 HIS 24 -4.028 -9.812 0.938 198 HB3 HIS 24 HB1 HIS 24 -3.266 -9.278 -0.555 199 HD1 HIS 24 HD1 HIS 24 -1.018 -9.456 2.341 200 HD2 HIS 24 HD2 HIS 24 -2.247 -11.983 -0.737 201 HE1 HIS 24 HE1 HIS 24 0.660 -11.339 2.288 202 HE2 HIS 24 HE2 HIS 24 -0.119 -12.871 0.442 203 H CYS 25 HN CYS 25 -1.024 -6.716 2.313 204 HA CYS 25 HA CYS 25 0.500 -6.339 -0.108 205 HB2 CYS 25 HB2 CYS 25 1.119 -5.456 2.712 206 HB3 CYS 25 HB1 CYS 25 2.093 -5.067 1.301 207 H ARG 26 HN ARG 26 2.043 -7.594 -0.753 208 HA ARG 26 HA ARG 26 3.333 -9.390 1.155 209 HB2 ARG 26 HB2 ARG 26 3.040 -11.328 -0.257 210 HB3 ARG 26 HB1 ARG 26 1.459 -10.666 0.130 211 HG2 ARG 26 HG2 ARG 26 1.031 -10.051 -2.014 212 HG3 ARG 26 HG1 ARG 26 2.731 -9.745 -2.382 213 HD2 ARG 26 HD2 ARG 26 1.460 -12.461 -2.061 214 HD3 ARG 26 HD1 ARG 26 1.872 -11.696 -3.594 215 HE ARG 26 HE ARG 26 4.221 -11.695 -2.238 216 HH11 ARG 26 HH11 ARG 26 1.922 -14.193 -3.078 217 HH12 ARG 26 HH12 ARG 26 3.114 -15.452 -3.111 218 HH21 ARG 26 HH21 ARG 26 5.788 -13.331 -2.283 219 HH22 ARG 26 HH22 ARG 26 5.326 -14.959 -2.674 220 H SER 27 HN SER 27 5.332 -10.149 0.430 221 HA SER 27 HA SER 27 6.431 -8.564 -1.768 222 HB2 SER 27 HB2 SER 27 7.707 -7.946 0.029 223 HB3 SER 27 HB1 SER 27 7.495 -9.489 0.849 224 HG SER 27 HG SER 27 9.600 -9.323 0.159 225 H GLY 28 HN GLY 28 8.024 -9.589 -3.121 226 HA2 GLY 28 HA2 GLY 28 7.415 -12.037 -4.194 227 HA3 GLY 28 HA1 GLY 28 9.009 -11.296 -4.277 228 H ASN 29 HN ASN 29 9.391 -11.307 -1.402 229 HA ASN 29 HA ASN 29 9.451 -14.205 -0.850 230 HB2 ASN 29 HB2 ASN 29 11.685 -13.383 -1.610 231 HB3 ASN 29 HB1 ASN 29 11.726 -12.328 -0.202 232 HD21 ASN 29 HD21 ASN 29 11.913 -15.598 -1.341 233 HD22 ASN 29 HD22 ASN 29 12.496 -16.292 0.130 234 H THR 30 HN THR 30 9.032 -10.982 0.402 235 HA THR 30 HA THR 30 9.038 -11.974 3.161 236 HB THR 30 HB THR 30 8.605 -9.107 2.982 237 HG1 THR 30 HG1 THR 30 11.146 -9.559 2.054 238 HG21 THR 30 HG21 THR 30 10.567 -9.056 4.378 239 HG22 THR 30 HG22 THR 30 10.973 -10.716 3.942 240 HG23 THR 30 HG23 THR 30 9.527 -10.386 4.894 241 H ASN 31 HN ASN 31 7.073 -12.899 3.532 242 HA ASN 31 HA ASN 31 4.629 -11.450 2.833 243 HB2 ASN 31 HB2 ASN 31 5.110 -14.205 3.988 244 HB3 ASN 31 HB1 ASN 31 3.506 -13.513 3.772 245 HD21 ASN 31 HD21 ASN 31 4.825 -15.861 2.568 246 HD22 ASN 31 HD22 ASN 31 4.697 -15.629 0.859 247 H VAL 32 HN VAL 32 3.109 -10.769 4.399 248 HA VAL 32 HA VAL 32 4.088 -10.763 7.162 249 HB VAL 32 HB VAL 32 3.232 -8.339 5.597 250 HG11 VAL 32 HG11 VAL 32 3.457 -8.595 8.598 251 HG12 VAL 32 HG12 VAL 32 1.972 -8.314 7.691 252 HG13 VAL 32 HG13 VAL 32 3.238 -7.087 7.710 253 HG21 VAL 32 HG21 VAL 32 5.614 -8.883 7.370 254 HG22 VAL 32 HG22 VAL 32 5.333 -7.432 6.409 255 HG23 VAL 32 HG23 VAL 32 5.621 -8.980 5.610 256 H GLY 33 HN GLY 33 1.155 -9.814 5.236 257 HA2 GLY 33 HA2 GLY 33 -0.570 -11.378 6.781 258 HA3 GLY 33 HA1 GLY 33 -0.493 -9.778 7.500 259 H VAL 34 HN VAL 34 -2.856 -10.492 6.766 260 HA VAL 34 HA VAL 34 -3.452 -8.949 4.339 261 HB VAL 34 HB VAL 34 -4.740 -11.622 4.876 262 HG11 VAL 34 HG11 VAL 34 -4.851 -9.629 2.632 263 HG12 VAL 34 HG12 VAL 34 -6.169 -10.196 3.653 264 HG13 VAL 34 HG13 VAL 34 -5.440 -11.286 2.470 265 HG21 VAL 34 HG21 VAL 34 -3.409 -12.510 3.034 266 HG22 VAL 34 HG22 VAL 34 -2.375 -11.953 4.356 267 HG23 VAL 34 HG23 VAL 34 -2.561 -10.968 2.907 268 H GLN 35 HN GLN 35 -4.467 -7.348 5.751 269 HA GLN 35 HA GLN 35 -7.101 -7.938 6.660 270 HB2 GLN 35 HB2 GLN 35 -4.909 -7.553 8.673 271 HB3 GLN 35 HB1 GLN 35 -6.546 -7.035 9.040 272 HG2 GLN 35 HG2 GLN 35 -7.273 -9.363 8.525 273 HG3 GLN 35 HG1 GLN 35 -5.572 -9.810 8.471 274 HE21 GLN 35 HE21 GLN 35 -4.880 -7.896 10.584 275 HE22 GLN 35 HE22 GLN 35 -5.422 -8.618 12.060 276 H TYR 36 HN TYR 36 -7.847 -5.985 8.203 277 HA TYR 36 HA TYR 36 -7.160 -3.763 6.484 278 HB2 TYR 36 HB2 TYR 36 -9.358 -5.078 6.055 279 HB3 TYR 36 HB1 TYR 36 -9.909 -3.702 7.051 280 HD1 TYR 36 HD1 TYR 36 -7.244 -4.300 4.484 281 HD2 TYR 36 HD2 TYR 36 -10.360 -1.843 5.992 282 HE1 TYR 36 HE1 TYR 36 -6.867 -2.767 2.653 283 HE2 TYR 36 HE2 TYR 36 -9.970 -0.250 4.113 284 HH TYR 36 HH TYR 36 -8.200 -1.028 1.380 285 H LEU 37 HN LEU 37 -8.348 -1.813 6.914 286 HA LEU 37 HA LEU 37 -8.497 -1.099 9.740 287 HB2 LEU 37 HB2 LEU 37 -6.541 -0.276 7.853 288 HB3 LEU 37 HB1 LEU 37 -7.606 1.094 8.123 289 HG LEU 37 HG LEU 37 -5.609 1.081 9.611 290 HD11 LEU 37 HD11 LEU 37 -8.249 0.786 11.040 291 HD12 LEU 37 HD12 LEU 37 -7.665 2.254 10.255 292 HD13 LEU 37 HD13 LEU 37 -6.815 1.606 11.656 293 HD21 LEU 37 HD21 LEU 37 -6.913 -1.191 11.070 294 HD22 LEU 37 HD22 LEU 37 -5.287 -0.534 11.271 295 HD23 LEU 37 HD23 LEU 37 -5.695 -1.467 9.831 296 H ASN 38 HN ASN 38 -9.711 0.927 10.025 297 HA ASN 38 HA ASN 38 -11.911 1.149 8.117 298 HB2 ASN 38 HB2 ASN 38 -13.139 2.231 9.940 299 HB3 ASN 38 HB1 ASN 38 -12.534 0.663 10.447 300 HD21 ASN 38 HD21 ASN 38 -10.890 0.559 11.984 301 HD22 ASN 38 HD22 ASN 38 -10.440 1.927 12.940 302 H PHE 39 HN PHE 39 -12.904 3.451 8.280 303 HA PHE 39 HA PHE 39 -10.971 5.293 7.270 304 HB2 PHE 39 HB2 PHE 39 -13.050 5.475 6.220 305 HB3 PHE 39 HB1 PHE 39 -13.941 5.395 7.730 306 HD1 PHE 39 HD1 PHE 39 -11.212 7.582 6.441 307 HD2 PHE 39 HD2 PHE 39 -15.103 7.325 8.105 308 HE1 PHE 39 HE1 PHE 39 -11.387 10.034 6.373 309 HE2 PHE 39 HE2 PHE 39 -15.290 9.784 8.052 310 HZ PHE 39 HZ PHE 39 -13.379 11.140 7.371 311 H LYS 40 HN LYS 40 -9.542 5.508 8.960 312 HA LYS 40 HA LYS 40 -9.771 7.774 10.518 313 HB2 LYS 40 HB2 LYS 40 -11.420 6.475 11.835 314 HB3 LYS 40 HB1 LYS 40 -10.166 5.296 12.182 315 HG2 LYS 40 HG2 LYS 40 -8.873 6.994 13.356 316 HG3 LYS 40 HG1 LYS 40 -10.114 8.192 12.991 317 HD2 LYS 40 HD2 LYS 40 -11.742 6.906 14.283 318 HD3 LYS 40 HD1 LYS 40 -10.509 5.694 14.637 319 HE2 LYS 40 HE2 LYS 40 -10.418 8.598 15.450 320 HE3 LYS 40 HE1 LYS 40 -10.812 7.244 16.508 321 HZ1 LYS 40 HZ1 LYS 40 -8.221 7.582 15.098 322 HZ2 LYS 40 HZ2 LYS 40 -8.605 6.377 16.222 323 HZ3 LYS 40 HZ3 LYS 40 -8.495 7.993 16.714 324 H GLY 41 HN GLY 41 -8.296 4.602 10.099 325 HA2 GLY 41 HA2 GLY 41 -5.768 5.768 11.039 326 HA3 GLY 41 HA1 GLY 41 -6.286 4.188 11.593 327 H THR 42 HN THR 42 -4.118 3.758 10.741 328 HA THR 42 HA THR 42 -4.141 3.070 7.867 329 HB THR 42 HB THR 42 -1.576 3.472 8.117 330 HG1 THR 42 HG1 THR 42 -1.031 5.000 9.653 331 HG21 THR 42 HG21 THR 42 -3.544 5.751 7.949 332 HG22 THR 42 HG22 THR 42 -2.993 4.737 6.613 333 HG23 THR 42 HG23 THR 42 -1.862 5.817 7.428 334 H ARG 43 HN ARG 43 -2.720 1.287 7.331 335 HA ARG 43 HA ARG 43 -1.937 -0.391 9.617 336 HB2 ARG 43 HB2 ARG 43 -3.717 -1.048 7.501 337 HB3 ARG 43 HB1 ARG 43 -2.240 -1.971 7.251 338 HG2 ARG 43 HG2 ARG 43 -3.915 -1.941 9.751 339 HG3 ARG 43 HG1 ARG 43 -3.817 -3.247 8.571 340 HD2 ARG 43 HD2 ARG 43 -1.497 -2.218 10.201 341 HD3 ARG 43 HD1 ARG 43 -2.462 -3.629 10.620 342 HE ARG 43 HE ARG 43 -1.626 -4.178 8.103 343 HH11 ARG 43 HH11 ARG 43 0.077 -3.166 11.000 344 HH12 ARG 43 HH12 ARG 43 1.513 -4.059 10.612 345 HH21 ARG 43 HH21 ARG 43 0.245 -5.373 7.620 346 HH22 ARG 43 HH22 ARG 43 1.603 -5.329 8.702 347 H ILE 44 HN ILE 44 0.245 -0.437 9.731 348 HA ILE 44 HA ILE 44 1.604 0.327 7.250 349 HB ILE 44 HB ILE 44 2.541 1.007 10.030 350 HG12 ILE 44 HG12 ILE 44 1.965 3.360 8.935 351 HG13 ILE 44 HG11 ILE 44 0.794 2.387 8.066 352 HG21 ILE 44 HG21 ILE 44 4.224 0.767 8.162 353 HG22 ILE 44 HG22 ILE 44 4.164 2.353 8.939 354 HG23 ILE 44 HG23 ILE 44 3.389 2.109 7.373 355 HD11 ILE 44 HD11 ILE 44 1.006 2.654 11.055 356 HD12 ILE 44 HD12 ILE 44 -0.146 1.631 10.197 357 HD13 ILE 44 HD13 ILE 44 -0.222 3.384 10.019 358 H ILE 45 HN ILE 45 2.954 -0.900 6.443 359 HA ILE 45 HA ILE 45 4.241 -3.057 7.873 360 HB ILE 45 HB ILE 45 4.232 -2.327 5.031 361 HG12 ILE 45 HG12 ILE 45 2.743 -4.480 6.372 362 HG13 ILE 45 HG11 ILE 45 2.099 -2.878 6.108 363 HG21 ILE 45 HG21 ILE 45 5.207 -4.781 6.427 364 HG22 ILE 45 HG22 ILE 45 6.140 -3.675 5.414 365 HG23 ILE 45 HG23 ILE 45 4.900 -4.701 4.694 366 HD11 ILE 45 HD11 ILE 45 2.788 -3.197 3.706 367 HD12 ILE 45 HD12 ILE 45 1.336 -4.032 4.282 368 HD13 ILE 45 HD13 ILE 45 2.856 -4.914 4.109 369 H LYS 46 HN LYS 46 6.576 -3.360 7.550 370 HA LYS 46 HA LYS 46 8.017 -1.071 6.537 371 HB2 LYS 46 HB2 LYS 46 9.390 -0.793 8.590 372 HB3 LYS 46 HB1 LYS 46 7.696 -0.394 8.847 373 HG2 LYS 46 HG2 LYS 46 7.325 -2.541 9.911 374 HG3 LYS 46 HG1 LYS 46 9.000 -2.999 9.608 375 HD2 LYS 46 HD2 LYS 46 9.769 -1.180 11.031 376 HD3 LYS 46 HD1 LYS 46 8.100 -0.673 11.303 377 HE2 LYS 46 HE2 LYS 46 9.253 -3.353 12.065 378 HE3 LYS 46 HE1 LYS 46 9.012 -2.001 13.170 379 HZ1 LYS 46 HZ1 LYS 46 6.845 -3.347 11.649 380 HZ2 LYS 46 HZ2 LYS 46 6.653 -2.118 12.793 381 HZ3 LYS 46 HZ3 LYS 46 7.212 -3.639 13.273 382 H PHE 47 HN PHE 47 10.226 -1.416 6.181 383 HA PHE 47 HA PHE 47 11.718 -3.628 6.901 384 HB2 PHE 47 HB2 PHE 47 10.255 -4.003 4.324 385 HB3 PHE 47 HB1 PHE 47 11.965 -4.439 4.342 386 HD1 PHE 47 HD1 PHE 47 9.109 -6.105 4.320 387 HD2 PHE 47 HD2 PHE 47 12.301 -5.433 7.068 388 HE1 PHE 47 HE1 PHE 47 8.519 -8.159 5.514 389 HE2 PHE 47 HE2 PHE 47 11.731 -7.509 8.235 390 HZ PHE 47 HZ PHE 47 9.835 -8.873 7.467 391 H LYS 48 HN LYS 48 13.910 -3.508 5.410 392 HA LYS 48 HA LYS 48 14.325 -0.628 5.254 393 HB2 LYS 48 HB2 LYS 48 15.736 -0.704 7.316 394 HB3 LYS 48 HB1 LYS 48 13.991 -0.899 7.541 395 HG2 LYS 48 HG2 LYS 48 14.247 -3.266 7.849 396 HG3 LYS 48 HG1 LYS 48 15.967 -3.177 7.471 397 HD2 LYS 48 HD2 LYS 48 14.675 -1.753 9.790 398 HD3 LYS 48 HD1 LYS 48 15.438 -3.338 9.910 399 HE2 LYS 48 HE2 LYS 48 16.791 -0.786 9.037 400 HE3 LYS 48 HE1 LYS 48 16.955 -1.554 10.614 401 HZ1 LYS 48 HZ1 LYS 48 18.815 -2.098 9.183 402 HZ2 LYS 48 HZ2 LYS 48 17.774 -2.745 8.017 403 HZ3 LYS 48 HZ3 LYS 48 17.919 -3.489 9.529 404 H ASP 49 HN ASP 49 15.313 -1.340 3.162 405 HA ASP 49 HA ASP 49 18.141 -1.699 3.542 406 HB2 ASP 49 HB2 ASP 49 16.425 -3.775 2.326 407 HB3 ASP 49 HB1 ASP 49 18.033 -3.516 1.678 408 H ASP 50 HN ASP 50 16.670 -2.440 0.488 409 HA ASP 50 HA ASP 50 16.277 -0.160 -0.882 410 HB2 ASP 50 HB2 ASP 50 18.441 0.762 -0.389 411 HB3 ASP 50 HB1 ASP 50 19.228 -0.727 -0.879 412 H GLY 51 HN GLY 51 15.375 -0.857 -2.690 413 HA2 GLY 51 HA2 GLY 51 16.862 -2.419 -4.543 414 HA3 GLY 51 HA1 GLY 51 15.654 -3.409 -3.755 415 H THR 52 HN THR 52 15.080 -0.028 -4.524 416 HA THR 52 HA THR 52 13.733 1.036 -6.015 417 HB THR 52 HB THR 52 13.386 0.288 -8.223 418 HG1 THR 52 HG1 THR 52 14.080 -2.261 -7.222 419 HG21 THR 52 HG21 THR 52 15.610 1.073 -7.730 420 HG22 THR 52 HG22 THR 52 15.667 -0.201 -8.948 421 HG23 THR 52 HG23 THR 52 16.106 -0.556 -7.278 422 H GLU 53 HN GLU 53 11.576 0.010 -7.710 423 HA GLU 53 HA GLU 53 9.756 -0.288 -5.420 424 HB2 GLU 53 HB2 GLU 53 9.443 1.429 -7.866 425 HB3 GLU 53 HB1 GLU 53 8.362 1.362 -6.494 426 HG2 GLU 53 HG2 GLU 53 9.853 2.450 -5.091 427 HG3 GLU 53 HG1 GLU 53 11.228 2.102 -6.140 428 H ARG 54 HN ARG 54 10.464 -1.953 -8.288 429 HA ARG 54 HA ARG 54 7.667 -2.157 -9.085 430 HB2 ARG 54 HB2 ARG 54 10.206 -3.007 -10.400 431 HB3 ARG 54 HB1 ARG 54 8.652 -3.586 -10.982 432 HG2 ARG 54 HG2 ARG 54 9.481 -0.697 -10.741 433 HG3 ARG 54 HG1 ARG 54 9.410 -1.637 -12.233 434 HD2 ARG 54 HD2 ARG 54 6.972 -1.992 -11.798 435 HD3 ARG 54 HD1 ARG 54 7.105 -0.871 -10.445 436 HE ARG 54 HE ARG 54 8.097 0.299 -12.834 437 HH11 ARG 54 HH11 ARG 54 5.110 -0.546 -11.199 438 HH12 ARG 54 HH12 ARG 54 4.184 0.678 -12.010 439 HH21 ARG 54 HH21 ARG 54 6.860 1.908 -13.896 440 HH22 ARG 54 HH22 ARG 54 5.168 2.058 -13.538 441 H SER 55 HN SER 55 10.104 -4.640 -8.051 442 HA SER 55 HA SER 55 7.875 -6.565 -8.164 443 HB2 SER 55 HB2 SER 55 10.730 -7.158 -8.929 444 HB3 SER 55 HB1 SER 55 9.330 -8.212 -9.135 445 HG SER 55 HG SER 55 8.478 -6.676 -10.600 446 H ARG 56 HN ARG 56 7.845 -5.983 -5.796 447 HA ARG 56 HA ARG 56 8.964 -8.242 -4.353 448 HB2 ARG 56 HB2 ARG 56 10.562 -6.266 -4.134 449 HB3 ARG 56 HB1 ARG 56 9.292 -5.475 -3.229 450 HG2 ARG 56 HG2 ARG 56 10.902 -6.468 -1.729 451 HG3 ARG 56 HG1 ARG 56 9.347 -7.289 -1.581 452 HD2 ARG 56 HD2 ARG 56 10.107 -9.184 -2.712 453 HD3 ARG 56 HD1 ARG 56 11.477 -8.327 -3.406 454 HE ARG 56 HE ARG 56 11.635 -8.430 -0.561 455 HH11 ARG 56 HH11 ARG 56 12.129 -10.327 -3.452 456 HH12 ARG 56 HH12 ARG 56 13.368 -11.320 -2.750 457 HH21 ARG 56 HH21 ARG 56 13.279 -9.748 0.383 458 HH22 ARG 56 HH22 ARG 56 14.018 -10.991 -0.577 459 H TRP 57 HN TRP 57 7.636 -5.235 -3.331 460 HA TRP 57 HA TRP 57 5.479 -6.678 -2.036 461 HB2 TRP 57 HB2 TRP 57 6.512 -3.874 -1.701 462 HB3 TRP 57 HB1 TRP 57 5.010 -4.431 -0.957 463 HD1 TRP 57 HD1 TRP 57 8.797 -5.134 -0.872 464 HE1 TRP 57 HE1 TRP 57 9.335 -6.288 1.356 465 HE3 TRP 57 HE3 TRP 57 4.054 -5.650 0.917 466 HZ2 TRP 57 HZ2 TRP 57 7.914 -7.272 3.606 467 HZ3 TRP 57 HZ3 TRP 57 3.721 -6.698 3.115 468 HH2 TRP 57 HH2 TRP 57 5.616 -7.486 4.426 469 H ASN 58 HN ASN 58 3.541 -6.740 -2.726 470 HA ASN 58 HA ASN 58 2.477 -4.502 -4.289 471 HB2 ASN 58 HB2 ASN 58 2.006 -7.448 -4.885 472 HB3 ASN 58 HB1 ASN 58 1.169 -6.114 -5.669 473 HD21 ASN 58 HD21 ASN 58 4.149 -7.867 -5.395 474 HD22 ASN 58 HD22 ASN 58 4.909 -7.194 -6.790 475 H CYS 59 HN CYS 59 0.176 -4.202 -3.903 476 HA CYS 59 HA CYS 59 -0.779 -5.668 -1.531 477 HB2 CYS 59 HB2 CYS 59 -1.180 -2.722 -2.109 478 HB3 CYS 59 HB1 CYS 59 -1.805 -3.601 -0.717 479 H LEU 60 HN LEU 60 -2.818 -6.465 -1.627 480 HA LEU 60 HA LEU 60 -4.331 -5.855 -4.072 481 HB2 LEU 60 HB2 LEU 60 -4.274 -8.495 -2.601 482 HB3 LEU 60 HB1 LEU 60 -5.009 -8.161 -4.154 483 HG LEU 60 HG LEU 60 -2.038 -8.115 -3.629 484 HD11 LEU 60 HD11 LEU 60 -2.929 -10.364 -3.381 485 HD12 LEU 60 HD12 LEU 60 -1.987 -10.225 -4.865 486 HD13 LEU 60 HD13 LEU 60 -3.748 -10.224 -4.936 487 HD21 LEU 60 HD21 LEU 60 -3.616 -8.003 -6.195 488 HD22 LEU 60 HD22 LEU 60 -1.859 -8.091 -6.067 489 HD23 LEU 60 HD23 LEU 60 -2.717 -6.671 -5.468 490 H PHE 61 HN PHE 61 -6.273 -4.967 -3.570 491 HA PHE 61 HA PHE 61 -7.153 -5.344 -0.801 492 HB2 PHE 61 HB2 PHE 61 -8.092 -3.359 -2.904 493 HB3 PHE 61 HB1 PHE 61 -8.848 -3.537 -1.337 494 HD1 PHE 61 HD1 PHE 61 -5.261 -3.767 -1.716 495 HD2 PHE 61 HD2 PHE 61 -8.468 -1.146 -0.815 496 HE1 PHE 61 HE1 PHE 61 -3.691 -2.223 -0.677 497 HE2 PHE 61 HE2 PHE 61 -6.913 0.439 0.154 498 HZ PHE 61 HZ PHE 61 -4.666 0.244 -0.089 499 H ARG 62 HN ARG 62 -8.723 -6.804 -0.427 500 HA ARG 62 HA ARG 62 -10.738 -7.364 -2.442 501 HB2 ARG 62 HB2 ARG 62 -10.224 -9.719 -2.630 502 HB3 ARG 62 HB1 ARG 62 -8.816 -8.780 -3.098 503 HG2 ARG 62 HG2 ARG 62 -7.859 -9.178 -0.849 504 HG3 ARG 62 HG1 ARG 62 -9.239 -10.218 -0.489 505 HD2 ARG 62 HD2 ARG 62 -7.132 -10.626 -2.604 506 HD3 ARG 62 HD1 ARG 62 -7.424 -11.614 -1.174 507 HE ARG 62 HE ARG 62 -9.547 -11.392 -3.182 508 HH11 ARG 62 HH11 ARG 62 -7.077 -13.330 -1.619 509 HH12 ARG 62 HH12 ARG 62 -7.676 -14.825 -2.261 510 HH21 ARG 62 HH21 ARG 62 -10.317 -13.357 -4.042 511 HH22 ARG 62 HH22 ARG 62 -9.508 -14.843 -3.647 512 H GLN 63 HN GLN 63 -12.397 -8.849 -1.610 513 HA GLN 63 HA GLN 63 -12.335 -9.231 1.296 514 HB2 GLN 63 HB2 GLN 63 -14.651 -8.092 -0.286 515 HB3 GLN 63 HB1 GLN 63 -14.765 -8.629 1.382 516 HG2 GLN 63 HG2 GLN 63 -12.780 -6.539 0.598 517 HG3 GLN 63 HG1 GLN 63 -14.469 -6.118 0.856 518 HE21 GLN 63 HE21 GLN 63 -12.834 -8.621 2.686 519 HE22 GLN 63 HE22 GLN 63 -12.817 -7.770 4.184 520 H GLY 64 HN GLY 64 -14.600 -10.553 1.749 521 HA2 GLY 64 HA2 GLY 64 -14.272 -13.023 0.303 522 HA3 GLY 64 HA1 GLY 64 -15.408 -12.708 1.610 523 H ILE 65 HN ILE 65 -17.441 -12.474 1.161 524 HA ILE 65 HA ILE 65 -19.329 -12.619 -0.098 525 HB ILE 65 HB ILE 65 -19.339 -10.441 0.706 526 HG12 ILE 65 HG12 ILE 65 -20.535 -9.150 -1.070 527 HG13 ILE 65 HG11 ILE 65 -20.099 -10.410 -2.218 528 HG21 ILE 65 HG21 ILE 65 -17.762 -9.490 -1.645 529 HG22 ILE 65 HG22 ILE 65 -17.058 -9.959 -0.102 530 HG23 ILE 65 HG23 ILE 65 -18.190 -8.604 -0.180 531 HD11 ILE 65 HD11 ILE 65 -22.371 -10.690 -1.421 532 HD12 ILE 65 HD12 ILE 65 -21.792 -10.772 0.243 533 HD13 ILE 65 HD13 ILE 65 -21.357 -12.038 -0.907 534 H ASN 66 HN ASN 66 -18.390 -10.521 -2.656 535 HA ASN 66 HA ASN 66 -18.379 -12.808 -4.503 536 HB2 ASN 66 HB2 ASN 66 -19.318 -9.972 -4.974 537 HB3 ASN 66 HB1 ASN 66 -19.250 -11.224 -6.208 538 HD21 ASN 66 HD21 ASN 66 -20.127 -13.346 -4.449 539 HD22 ASN 66 HD22 ASN 66 -21.813 -13.083 -4.168 540 H MET 67 HN MET 67 -17.564 -11.289 -6.783 541 HA MET 67 HA MET 67 -14.748 -10.962 -6.265 542 HB2 MET 67 HB2 MET 67 -16.408 -10.533 -8.752 543 HB3 MET 67 HB1 MET 67 -14.669 -10.291 -8.692 544 HG2 MET 67 HG2 MET 67 -16.094 -12.880 -8.126 545 HG3 MET 67 HG1 MET 67 -15.269 -12.465 -9.629 546 HE1 MET 67 HE1 MET 67 -12.933 -15.180 -8.003 547 HE2 MET 67 HE2 MET 67 -13.911 -14.753 -9.407 548 HE3 MET 67 HE3 MET 67 -14.690 -15.116 -7.868 549 H LYS 68 HN LYS 68 -17.274 -9.123 -5.571 550 HA LYS 68 HA LYS 68 -16.503 -6.523 -6.426 551 HB2 LYS 68 HB2 LYS 68 -18.197 -7.297 -4.039 552 HB3 LYS 68 HB1 LYS 68 -18.176 -5.736 -4.849 553 HG2 LYS 68 HG2 LYS 68 -19.103 -8.320 -6.089 554 HG3 LYS 68 HG1 LYS 68 -20.153 -7.075 -5.419 555 HD2 LYS 68 HD2 LYS 68 -19.222 -5.474 -7.065 556 HD3 LYS 68 HD1 LYS 68 -18.288 -6.793 -7.773 557 HE2 LYS 68 HE2 LYS 68 -20.338 -7.974 -8.325 558 HE3 LYS 68 HE1 LYS 68 -21.294 -6.716 -7.548 559 HZ1 LYS 68 HZ1 LYS 68 -19.554 -6.319 -9.920 560 HZ2 LYS 68 HZ2 LYS 68 -20.518 -5.138 -9.187 561 HZ3 LYS 68 HZ3 LYS 68 -21.238 -6.462 -9.954 562 H PHE 69 HN PHE 69 -15.962 -4.787 -4.763 563 HA PHE 69 HA PHE 69 -14.499 -3.870 -3.284 564 HB2 PHE 69 HB2 PHE 69 -14.887 -6.520 -1.865 565 HB3 PHE 69 HB1 PHE 69 -14.057 -5.131 -1.170 566 HD1 PHE 69 HD1 PHE 69 -15.302 -3.136 -0.532 567 HD2 PHE 69 HD2 PHE 69 -17.269 -6.592 -2.041 568 HE1 PHE 69 HE1 PHE 69 -17.448 -2.271 0.299 569 HE2 PHE 69 HE2 PHE 69 -19.418 -5.737 -1.210 570 HZ PHE 69 HZ PHE 69 -19.508 -3.613 0.005 571 H PHE 70 HN PHE 70 -12.876 -4.051 -5.063 572 HA PHE 70 HA PHE 70 -10.620 -5.717 -4.334 573 HB2 PHE 70 HB2 PHE 70 -12.142 -6.996 -5.881 574 HB3 PHE 70 HB1 PHE 70 -11.720 -5.832 -7.128 575 HD1 PHE 70 HD1 PHE 70 -10.107 -7.872 -4.551 576 HD2 PHE 70 HD2 PHE 70 -9.957 -6.405 -8.510 577 HE1 PHE 70 HE1 PHE 70 -8.069 -9.107 -4.904 578 HE2 PHE 70 HE2 PHE 70 -7.898 -7.652 -8.910 579 HZ PHE 70 HZ PHE 70 -6.921 -9.031 -7.101 580 H THR 71 HN THR 71 -8.694 -5.044 -5.117 581 HA THR 71 HA THR 71 -8.291 -3.554 -7.435 582 HB THR 71 HB THR 71 -9.120 -1.703 -5.779 583 HG1 THR 71 HG1 THR 71 -8.435 -0.793 -7.564 584 HG21 THR 71 HG21 THR 71 -6.351 -2.273 -4.842 585 HG22 THR 71 HG22 THR 71 -7.762 -1.762 -3.910 586 HG23 THR 71 HG23 THR 71 -6.889 -0.591 -4.917 587 H GLU 72 HN GLU 72 -5.982 -2.830 -7.638 588 HA GLU 72 HA GLU 72 -4.287 -4.751 -6.217 589 HB2 GLU 72 HB2 GLU 72 -5.153 -5.699 -8.341 590 HB3 GLU 72 HB1 GLU 72 -4.394 -4.370 -9.194 591 HG2 GLU 72 HG2 GLU 72 -2.195 -5.113 -8.296 592 HG3 GLU 72 HG1 GLU 72 -3.006 -6.537 -7.649 593 H VAL 73 HN VAL 73 -2.981 -3.320 -5.189 594 HA VAL 73 HA VAL 73 -1.989 -1.006 -6.704 595 HB VAL 73 HB VAL 73 -1.561 -1.103 -3.790 596 HG11 VAL 73 HG11 VAL 73 -0.871 0.809 -5.058 597 HG12 VAL 73 HG12 VAL 73 -2.201 1.268 -3.995 598 HG13 VAL 73 HG13 VAL 73 -2.496 1.007 -5.713 599 HG21 VAL 73 HG21 VAL 73 -4.303 -0.853 -4.974 600 HG22 VAL 73 HG22 VAL 73 -3.880 -0.250 -3.367 601 HG23 VAL 73 HG23 VAL 73 -3.764 -1.980 -3.721 602 H GLU 74 HN GLU 74 0.277 -0.482 -6.583 603 HA GLU 74 HA GLU 74 1.988 -2.777 -6.091 604 HB2 GLU 74 HB2 GLU 74 2.514 -0.066 -7.307 605 HB3 GLU 74 HB1 GLU 74 3.737 -1.303 -7.088 606 HG2 GLU 74 HG2 GLU 74 2.503 -2.798 -8.559 607 HG3 GLU 74 HG1 GLU 74 1.263 -1.563 -8.773 608 H ALA 75 HN ALA 75 4.205 -2.178 -5.138 609 HA ALA 75 HA ALA 75 4.069 -0.141 -3.063 610 HB1 ALA 75 HB1 ALA 75 3.121 -2.071 -1.958 611 HB2 ALA 75 HB2 ALA 75 4.710 -1.700 -1.288 612 HB3 ALA 75 HB3 ALA 75 4.518 -3.044 -2.412 613 H TYR 76 HN TYR 76 6.146 -2.915 -4.182 614 HA TYR 76 HA TYR 76 8.427 -1.136 -4.287 615 HB2 TYR 76 HB2 TYR 76 7.706 -2.334 -1.792 616 HB3 TYR 76 HB1 TYR 76 9.300 -2.889 -2.303 617 HD1 TYR 76 HD1 TYR 76 11.011 -1.138 -2.939 618 HD2 TYR 76 HD2 TYR 76 7.422 -0.186 -0.883 619 HE1 TYR 76 HE1 TYR 76 12.002 0.967 -2.201 620 HE2 TYR 76 HE2 TYR 76 8.395 1.924 -0.153 621 HH TYR 76 HH TYR 76 11.461 3.046 -1.341 622 H ARG 77 HN ARG 77 10.589 -2.360 -4.235 623 HA ARG 77 HA ARG 77 10.520 -5.041 -5.452 624 HB2 ARG 77 HB2 ARG 77 10.596 -3.314 -7.263 625 HB3 ARG 77 HB1 ARG 77 12.080 -2.695 -6.565 626 HG2 ARG 77 HG2 ARG 77 13.268 -4.673 -7.123 627 HG3 ARG 77 HG1 ARG 77 11.784 -5.514 -7.570 628 HD2 ARG 77 HD2 ARG 77 11.476 -4.073 -9.460 629 HD3 ARG 77 HD1 ARG 77 12.829 -3.061 -8.967 630 HE ARG 77 HE ARG 77 13.156 -5.877 -9.787 631 HH11 ARG 77 HH11 ARG 77 14.156 -2.518 -9.837 632 HH12 ARG 77 HH12 ARG 77 15.489 -2.801 -10.912 633 HH21 ARG 77 HH21 ARG 77 14.909 -6.252 -11.201 634 HH22 ARG 77 HH22 ARG 77 15.909 -4.926 -11.698 635 HA PRO 78 HA PRO 78 14.218 -5.105 -2.824 636 HB2 PRO 78 HB2 PRO 78 14.809 -7.621 -2.936 637 HB3 PRO 78 HB1 PRO 78 13.114 -7.202 -2.621 638 HG2 PRO 78 HG2 PRO 78 14.400 -8.054 -5.199 639 HG3 PRO 78 HG1 PRO 78 12.868 -8.597 -4.497 640 HD2 PRO 78 HD2 PRO 78 13.208 -6.523 -6.384 641 HD3 PRO 78 HD1 PRO 78 11.735 -6.864 -5.456 642 H ASP 79 HN ASP 79 16.513 -5.150 -2.716 643 HA ASP 79 HA ASP 79 17.939 -6.368 -4.946 644 HB2 ASP 79 HB2 ASP 79 18.934 -4.396 -3.669 645 HB3 ASP 79 HB1 ASP 79 19.138 -5.516 -2.334 646 H LEU 80 HN LEU 80 18.813 -8.485 -4.723 647 HA LEU 80 HA LEU 80 16.956 -10.223 -4.456 648 HB2 LEU 80 HB2 LEU 80 19.511 -10.543 -4.823 649 HB3 LEU 80 HB1 LEU 80 19.443 -11.145 -3.186 650 HG LEU 80 HG LEU 80 19.375 -12.941 -4.876 651 HD11 LEU 80 HD11 LEU 80 16.854 -12.688 -3.250 652 HD12 LEU 80 HD12 LEU 80 18.390 -13.356 -2.699 653 HD13 LEU 80 HD13 LEU 80 17.474 -14.175 -3.964 654 HD21 LEU 80 HD21 LEU 80 18.159 -11.701 -6.610 655 HD22 LEU 80 HD22 LEU 80 16.695 -11.786 -5.628 656 HD23 LEU 80 HD23 LEU 80 17.420 -13.263 -6.259 657 H LYS 81 HN LYS 81 18.921 -9.981 -1.618 658 HA LYS 81 HA LYS 81 16.770 -11.144 -0.031 659 HB2 LYS 81 HB2 LYS 81 19.642 -10.546 0.646 660 HB3 LYS 81 HB1 LYS 81 18.475 -11.145 1.815 661 HG2 LYS 81 HG2 LYS 81 18.149 -13.158 0.496 662 HG3 LYS 81 HG1 LYS 81 19.277 -12.555 -0.719 663 HD2 LYS 81 HD2 LYS 81 21.091 -12.618 0.870 664 HD3 LYS 81 HD1 LYS 81 19.985 -13.063 2.170 665 HE2 LYS 81 HE2 LYS 81 21.245 -14.994 1.322 666 HE3 LYS 81 HE1 LYS 81 19.508 -15.175 1.083 667 HZ1 LYS 81 HZ1 LYS 81 20.853 -15.839 -0.856 668 HZ2 LYS 81 HZ2 LYS 81 21.392 -14.245 -1.014 669 HZ3 LYS 81 HZ3 LYS 81 19.754 -14.607 -1.211 670 H HIS 82 HN HIS 82 18.718 -8.214 -0.071 671 HA HIS 82 HA HIS 82 17.173 -7.116 2.171 672 HB2 HIS 82 HB2 HIS 82 19.132 -5.394 2.056 673 HB3 HIS 82 HB1 HIS 82 19.404 -6.987 2.743 674 HD1 HIS 82 HD1 HIS 82 19.374 -6.457 -1.031 675 HD2 HIS 82 HD2 HIS 82 22.079 -7.024 2.108 676 HE1 HIS 82 HE1 HIS 82 21.606 -6.900 -2.100 677 HE2 HIS 82 HE2 HIS 82 23.185 -7.364 -0.200 678 HA PRO 83 HA PRO 83 15.640 -4.356 -1.083 679 HB2 PRO 83 HB2 PRO 83 13.042 -4.766 -0.783 680 HB3 PRO 83 HB1 PRO 83 14.081 -6.088 -1.324 681 HG2 PRO 83 HG2 PRO 83 12.896 -5.609 1.371 682 HG3 PRO 83 HG1 PRO 83 13.154 -7.138 0.512 683 HD2 PRO 83 HD2 PRO 83 14.866 -5.923 2.451 684 HD3 PRO 83 HD1 PRO 83 15.184 -7.388 1.499 685 H LEU 84 HN LEU 84 14.502 -2.431 -1.312 686 HA LEU 84 HA LEU 84 13.279 -0.576 -0.979 687 HB2 LEU 84 HB2 LEU 84 12.376 -0.945 1.741 688 HB3 LEU 84 HB1 LEU 84 11.468 -0.661 0.280 689 HG LEU 84 HG LEU 84 12.477 -3.386 1.116 690 HD11 LEU 84 HD11 LEU 84 10.174 -3.839 1.784 691 HD12 LEU 84 HD12 LEU 84 9.734 -2.170 1.422 692 HD13 LEU 84 HD13 LEU 84 10.862 -2.519 2.732 693 HD21 LEU 84 HD21 LEU 84 12.088 -3.132 -1.286 694 HD22 LEU 84 HD22 LEU 84 10.463 -2.539 -0.952 695 HD23 LEU 84 HD23 LEU 84 10.893 -4.200 -0.548 696 H CYS 85 HN CYS 85 14.054 1.394 -0.704 697 HA CYS 85 HA CYS 85 14.729 2.228 1.988 698 HB2 CYS 85 HB2 CYS 85 16.925 2.913 1.638 699 HB3 CYS 85 HB1 CYS 85 16.811 1.373 0.779 700 H GLY 86 HN GLY 86 16.075 4.663 0.656 701 HA2 GLY 86 HA2 GLY 86 14.709 6.388 1.993 702 HA3 GLY 86 HA1 GLY 86 15.400 6.858 0.476 703 H LYS 87 HN LYS 87 12.417 4.912 0.575 704 HA LYS 87 HA LYS 87 11.014 7.352 -0.302 705 HB2 LYS 87 HB2 LYS 87 10.475 4.465 -0.990 706 HB3 LYS 87 HB1 LYS 87 9.538 5.848 -1.567 707 HG2 LYS 87 HG2 LYS 87 11.320 6.681 -2.852 708 HG3 LYS 87 HG1 LYS 87 12.494 5.649 -2.041 709 HD2 LYS 87 HD2 LYS 87 11.508 3.687 -3.084 710 HD3 LYS 87 HD1 LYS 87 10.288 4.699 -3.862 711 HE2 LYS 87 HE2 LYS 87 13.263 4.972 -4.278 712 HE3 LYS 87 HE1 LYS 87 12.180 4.093 -5.356 713 HZ1 LYS 87 HZ1 LYS 87 12.014 6.992 -4.725 714 HZ2 LYS 87 HZ2 LYS 87 10.969 6.148 -5.752 715 HZ3 LYS 87 HZ3 LYS 87 12.598 6.323 -6.164 716 H ARG 88 HN ARG 88 8.550 7.057 -0.062 717 HA ARG 88 HA ARG 88 7.782 5.731 2.420 718 HB2 ARG 88 HB2 ARG 88 8.483 8.033 3.028 719 HB3 ARG 88 HB1 ARG 88 7.314 8.674 1.884 720 HG2 ARG 88 HG2 ARG 88 5.495 7.730 3.186 721 HG3 ARG 88 HG1 ARG 88 6.656 7.032 4.318 722 HD2 ARG 88 HD2 ARG 88 7.454 9.287 4.869 723 HD3 ARG 88 HD1 ARG 88 6.267 9.970 3.760 724 HE ARG 88 HE ARG 88 4.759 8.484 5.447 725 HH11 ARG 88 HH11 ARG 88 7.166 10.968 5.940 726 HH12 ARG 88 HH12 ARG 88 6.455 11.546 7.412 727 HH21 ARG 88 HH21 ARG 88 3.808 9.248 7.387 728 HH22 ARG 88 HH22 ARG 88 4.554 10.561 8.241 729 H TYR 89 HN TYR 89 6.011 4.581 1.927 730 HA TYR 89 HA TYR 89 4.376 5.505 -0.340 731 HB2 TYR 89 HB2 TYR 89 5.554 2.868 0.302 732 HB3 TYR 89 HB1 TYR 89 3.923 2.851 -0.360 733 HD1 TYR 89 HD1 TYR 89 3.771 2.610 -2.662 734 HD2 TYR 89 HD2 TYR 89 7.164 4.580 -1.017 735 HE1 TYR 89 HE1 TYR 89 4.719 2.857 -4.920 736 HE2 TYR 89 HE2 TYR 89 8.114 4.831 -3.263 737 HH TYR 89 HH TYR 89 6.315 4.089 -6.140 738 H GLU 90 HN GLU 90 2.359 5.936 0.070 739 HA GLU 90 HA GLU 90 0.904 4.396 2.091 740 HB2 GLU 90 HB2 GLU 90 1.139 6.508 3.133 741 HB3 GLU 90 HB1 GLU 90 0.878 7.374 1.627 742 HG2 GLU 90 HG2 GLU 90 -1.471 6.563 1.631 743 HG3 GLU 90 HG1 GLU 90 -1.174 5.853 3.216 744 H LEU 91 HN LEU 91 -0.717 3.324 1.195 745 HA LEU 91 HA LEU 91 -2.096 4.592 -1.075 746 HB2 LEU 91 HB2 LEU 91 -2.745 1.789 -0.824 747 HB3 LEU 91 HB1 LEU 91 -2.130 2.670 -2.196 748 HG LEU 91 HG LEU 91 -0.296 1.658 -0.030 749 HD11 LEU 91 HD11 LEU 91 0.197 -0.237 -1.429 750 HD12 LEU 91 HD12 LEU 91 -0.942 0.323 -2.650 751 HD13 LEU 91 HD13 LEU 91 -1.532 -0.215 -1.079 752 HD21 LEU 91 HD21 LEU 91 0.596 3.445 -1.438 753 HD22 LEU 91 HD22 LEU 91 0.184 2.522 -2.884 754 HD23 LEU 91 HD23 LEU 91 1.409 1.915 -1.770 755 H SER 92 HN SER 92 -4.264 4.873 -0.874 756 HA SER 92 HA SER 92 -5.520 3.784 1.526 757 HB2 SER 92 HB2 SER 92 -6.489 6.044 2.033 758 HB3 SER 92 HB1 SER 92 -4.745 5.945 2.266 759 HG SER 92 HG SER 92 -4.438 7.300 0.675 760 H ALA 93 HN ALA 93 -7.471 3.123 1.241 761 HA ALA 93 HA ALA 93 -8.709 3.490 -1.330 762 HB1 ALA 93 HB1 ALA 93 -9.677 1.583 -0.900 763 HB2 ALA 93 HB2 ALA 93 -10.350 2.198 0.617 764 HB3 ALA 93 HB3 ALA 93 -8.718 1.514 0.588 765 H ARG 94 HN ARG 94 -9.490 5.373 -1.596 766 HA ARG 94 HA ARG 94 -10.866 6.709 0.694 767 HB2 ARG 94 HB2 ARG 94 -9.580 8.530 0.376 768 HB3 ARG 94 HB1 ARG 94 -8.556 7.524 -0.635 769 HG2 ARG 94 HG2 ARG 94 -9.873 8.229 -2.592 770 HG3 ARG 94 HG1 ARG 94 -10.799 9.301 -1.543 771 HD2 ARG 94 HD2 ARG 94 -7.860 9.429 -2.164 772 HD3 ARG 94 HD1 ARG 94 -9.105 10.587 -2.626 773 HE ARG 94 HE ARG 94 -8.148 10.150 0.133 774 HH11 ARG 94 HH11 ARG 94 -9.674 12.172 -2.290 775 HH12 ARG 94 HH12 ARG 94 -9.518 13.624 -1.354 776 HH21 ARG 94 HH21 ARG 94 -7.985 12.055 1.385 777 HH22 ARG 94 HH22 ARG 94 -8.580 13.554 0.744 778 H MET 95 HN MET 95 -12.294 8.129 0.368 779 HA MET 95 HA MET 95 -14.576 7.756 -0.629 780 HB2 MET 95 HB2 MET 95 -13.682 10.466 -1.427 781 HB3 MET 95 HB1 MET 95 -14.996 9.988 -0.365 782 HG2 MET 95 HG2 MET 95 -13.443 9.610 1.451 783 HG3 MET 95 HG1 MET 95 -12.068 9.966 0.412 784 HE1 MET 95 HE1 MET 95 -13.347 12.479 -1.273 785 HE2 MET 95 HE2 MET 95 -11.685 12.386 -0.691 786 HE3 MET 95 HE3 MET 95 -12.670 13.803 -0.323 787 H ASP 96 HN ASP 96 -12.011 9.059 -2.680 788 HA ASP 96 HA ASP 96 -13.704 8.949 -5.055 789 HB2 ASP 96 HB2 ASP 96 -10.831 9.840 -4.979 790 HB3 ASP 96 HB1 ASP 96 -12.097 10.316 -6.104 791 H ALA 97 HN ALA 97 -10.383 7.906 -4.206 792 HA ALA 97 HA ALA 97 -10.721 5.444 -5.718 793 HB1 ALA 97 HB1 ALA 97 -10.004 6.723 -7.554 794 HB2 ALA 97 HB2 ALA 97 -8.506 5.956 -6.970 795 HB3 ALA 97 HB3 ALA 97 -8.868 7.648 -6.578 796 H ILE 98 HN ILE 98 -8.341 4.488 -5.846 797 HA ILE 98 HA ILE 98 -7.364 4.296 -3.130 798 HB ILE 98 HB ILE 98 -6.695 2.848 -5.707 799 HG12 ILE 98 HG12 ILE 98 -8.838 2.468 -4.245 800 HG13 ILE 98 HG11 ILE 98 -7.930 1.065 -4.800 801 HG21 ILE 98 HG21 ILE 98 -5.156 1.422 -4.391 802 HG22 ILE 98 HG22 ILE 98 -5.477 2.364 -2.930 803 HG23 ILE 98 HG23 ILE 98 -4.632 3.105 -4.294 804 HD11 ILE 98 HD11 ILE 98 -7.664 2.372 -2.114 805 HD12 ILE 98 HD12 ILE 98 -6.908 0.855 -2.643 806 HD13 ILE 98 HD13 ILE 98 -8.659 0.949 -2.460 807 H TYR 99 HN TYR 99 -5.922 5.644 -2.435 808 HA TYR 99 HA TYR 99 -4.432 7.394 -4.151 809 HB2 TYR 99 HB2 TYR 99 -4.800 7.017 -1.257 810 HB3 TYR 99 HB1 TYR 99 -3.196 7.565 -1.707 811 HD1 TYR 99 HD1 TYR 99 -5.560 8.701 -4.042 812 HD2 TYR 99 HD2 TYR 99 -4.050 9.541 -0.155 813 HE1 TYR 99 HE1 TYR 99 -6.434 10.990 -4.204 814 HE2 TYR 99 HE2 TYR 99 -4.927 11.829 -0.313 815 HH TYR 99 HH TYR 99 -7.079 12.811 -2.796 816 H PHE 100 HN PHE 100 -2.239 7.429 -4.524 817 HA PHE 100 HA PHE 100 -0.651 5.165 -3.552 818 HB2 PHE 100 HB2 PHE 100 -1.543 4.783 -5.913 819 HB3 PHE 100 HB1 PHE 100 -0.530 6.132 -6.410 820 HD1 PHE 100 HD1 PHE 100 1.930 5.931 -6.302 821 HD2 PHE 100 HD2 PHE 100 -0.644 2.662 -5.445 822 HE1 PHE 100 HE1 PHE 100 3.814 4.377 -6.587 823 HE2 PHE 100 HE2 PHE 100 1.233 1.100 -5.726 824 HZ PHE 100 HZ PHE 100 3.466 1.956 -6.299 825 H LYS 101 HN LYS 101 0.698 6.292 -2.261 826 HA LYS 101 HA LYS 101 1.819 8.781 -3.302 827 HB2 LYS 101 HB2 LYS 101 0.942 9.021 -1.104 828 HB3 LYS 101 HB1 LYS 101 1.834 7.624 -0.518 829 HG2 LYS 101 HG2 LYS 101 3.940 8.879 -1.056 830 HG3 LYS 101 HG1 LYS 101 2.933 10.292 -1.368 831 HD2 LYS 101 HD2 LYS 101 2.117 10.248 0.912 832 HD3 LYS 101 HD1 LYS 101 3.029 8.772 1.234 833 HE2 LYS 101 HE2 LYS 101 4.230 10.660 2.131 834 HE3 LYS 101 HE1 LYS 101 5.118 9.999 0.760 835 HZ1 LYS 101 HZ1 LYS 101 3.344 12.378 0.648 836 HZ2 LYS 101 HZ2 LYS 101 4.285 11.773 -0.626 837 HZ3 LYS 101 HZ3 LYS 101 5.031 12.429 0.744 838 H MET 102 HN MET 102 3.646 8.810 -4.178 839 HA MET 102 HA MET 102 5.741 6.873 -3.481 840 HB2 MET 102 HB2 MET 102 5.598 8.932 -5.706 841 HB3 MET 102 HB1 MET 102 6.936 7.827 -5.444 842 HG2 MET 102 HG2 MET 102 5.506 5.935 -5.917 843 HG3 MET 102 HG1 MET 102 4.118 7.007 -6.097 844 HE1 MET 102 HE1 MET 102 4.744 5.833 -9.775 845 HE2 MET 102 HE2 MET 102 3.590 5.924 -8.446 846 HE3 MET 102 HE3 MET 102 4.992 4.861 -8.327 847 H ASP 103 HN ASP 103 7.960 7.924 -3.102 848 HA ASP 103 HA ASP 103 7.631 10.127 -1.290 849 HB2 ASP 103 HB2 ASP 103 9.495 8.269 -1.327 850 HB3 ASP 103 HB1 ASP 103 10.293 9.457 -2.351 851 H GLU 104 HN GLU 104 9.195 12.031 -1.562 852 HA GLU 104 HA GLU 104 9.462 14.038 -2.597 853 HB2 GLU 104 HB2 GLU 104 10.940 12.953 -4.108 854 HB3 GLU 104 HB1 GLU 104 9.601 12.244 -4.982 855 HG2 GLU 104 HG2 GLU 104 8.936 14.608 -5.606 856 HG3 GLU 104 HG1 GLU 104 10.513 15.095 -4.987 857 H ARG 105 HN ARG 105 6.852 12.008 -3.359 858 HA ARG 105 HA ARG 105 5.366 14.219 -4.645 859 HB2 ARG 105 HB2 ARG 105 5.086 11.244 -5.123 860 HB3 ARG 105 HB1 ARG 105 4.152 12.504 -5.920 861 HG2 ARG 105 HG2 ARG 105 7.142 12.210 -6.125 862 HG3 ARG 105 HG1 ARG 105 5.987 11.592 -7.306 863 HD2 ARG 105 HD2 ARG 105 5.243 13.793 -7.838 864 HD3 ARG 105 HD1 ARG 105 6.150 14.486 -6.496 865 HE ARG 105 HE ARG 105 8.171 13.561 -7.814 866 HH11 ARG 105 HH11 ARG 105 5.243 14.838 -9.273 867 HH12 ARG 105 HH12 ARG 105 6.063 15.443 -10.675 868 HH21 ARG 105 HH21 ARG 105 9.237 14.373 -9.649 869 HH22 ARG 105 HH22 ARG 105 8.329 15.179 -10.891 870 HA PRO 106 HA PRO 106 2.186 13.500 -1.575 871 HB2 PRO 106 HB2 PRO 106 0.132 14.743 -2.773 872 HB3 PRO 106 HB1 PRO 106 1.510 15.650 -2.138 873 HG2 PRO 106 HG2 PRO 106 0.912 14.841 -4.956 874 HG3 PRO 106 HG1 PRO 106 1.523 16.388 -4.342 875 HD2 PRO 106 HD2 PRO 106 3.109 14.442 -5.446 876 HD3 PRO 106 HD1 PRO 106 3.683 15.640 -4.270 877 HA PRO 107 HA PRO 107 -0.016 9.898 -2.912 878 HB2 PRO 107 HB2 PRO 107 -2.334 10.614 -1.281 879 HB3 PRO 107 HB1 PRO 107 -1.186 9.294 -1.065 880 HG2 PRO 107 HG2 PRO 107 -1.285 11.431 0.591 881 HG3 PRO 107 HG1 PRO 107 0.213 10.548 0.249 882 HD2 PRO 107 HD2 PRO 107 -0.746 13.157 -0.851 883 HD3 PRO 107 HD1 PRO 107 0.892 12.664 -0.375 884 H GLN 108 HN GLN 108 -0.696 9.996 -4.977 885 HA GLN 108 HA GLN 108 -2.983 11.702 -5.652 886 HB2 GLN 108 HB2 GLN 108 -0.979 10.244 -7.379 887 HB3 GLN 108 HB1 GLN 108 -2.363 11.126 -8.015 888 HG2 GLN 108 HG2 GLN 108 -0.170 12.350 -6.350 889 HG3 GLN 108 HG1 GLN 108 -0.230 12.382 -8.111 890 HE21 GLN 108 HE21 GLN 108 -1.821 13.627 -9.135 891 HE22 GLN 108 HE22 GLN 108 -2.648 14.900 -8.310 892 HA PRO 109 HA PRO 109 -5.735 8.183 -6.130 893 HB2 PRO 109 HB2 PRO 109 -6.846 9.612 -8.449 894 HB3 PRO 109 HB1 PRO 109 -7.645 9.114 -6.956 895 HG2 PRO 109 HG2 PRO 109 -7.101 11.689 -7.497 896 HG3 PRO 109 HG1 PRO 109 -7.063 11.042 -5.851 897 HD2 PRO 109 HD2 PRO 109 -4.801 11.683 -7.691 898 HD3 PRO 109 HD1 PRO 109 -4.920 11.891 -5.932 899 H LEU 110 HN LEU 110 -4.505 6.499 -6.962 900 HA LEU 110 HA LEU 110 -3.865 6.686 -9.825 901 HB2 LEU 110 HB2 LEU 110 -1.950 6.995 -8.169 902 HB3 LEU 110 HB1 LEU 110 -2.149 5.292 -7.810 903 HG LEU 110 HG LEU 110 -1.669 4.743 -10.168 904 HD11 LEU 110 HD11 LEU 110 -2.442 6.792 -11.212 905 HD12 LEU 110 HD12 LEU 110 -0.761 6.480 -11.639 906 HD13 LEU 110 HD13 LEU 110 -1.150 7.700 -10.427 907 HD21 LEU 110 HD21 LEU 110 0.143 4.721 -8.553 908 HD22 LEU 110 HD22 LEU 110 0.421 6.443 -8.814 909 HD23 LEU 110 HD23 LEU 110 0.722 5.295 -10.118 910 H ASN 111 HN ASN 111 -5.717 5.060 -7.683 911 HA ASN 111 HA ASN 111 -6.066 2.919 -9.559 912 HB2 ASN 111 HB2 ASN 111 -4.219 2.301 -7.666 913 HB3 ASN 111 HB1 ASN 111 -5.695 1.842 -6.814 914 HD21 ASN 111 HD21 ASN 111 -3.469 0.269 -7.962 915 HD22 ASN 111 HD22 ASN 111 -4.229 -0.896 -8.984 916 H LYS 112 HN LYS 112 -7.985 1.538 -8.672 917 HA LYS 112 HA LYS 112 -9.539 3.164 -6.849 918 HB2 LYS 112 HB2 LYS 112 -11.505 2.902 -8.337 919 HB3 LYS 112 HB1 LYS 112 -10.232 3.907 -8.977 920 HG2 LYS 112 HG2 LYS 112 -9.507 2.148 -10.451 921 HG3 LYS 112 HG1 LYS 112 -10.668 1.033 -9.731 922 HD2 LYS 112 HD2 LYS 112 -11.377 3.560 -11.217 923 HD3 LYS 112 HD1 LYS 112 -11.423 1.936 -11.902 924 HE2 LYS 112 HE2 LYS 112 -13.082 1.292 -10.199 925 HE3 LYS 112 HE1 LYS 112 -13.062 2.938 -9.574 926 HZ1 LYS 112 HZ1 LYS 112 -13.908 2.118 -12.297 927 HZ2 LYS 112 HZ2 LYS 112 -13.846 3.711 -11.739 928 HZ3 LYS 112 HZ3 LYS 112 -14.927 2.613 -11.044 929 H TRP 113 HN TRP 113 -10.740 2.104 -5.528 930 HA TRP 113 HA TRP 113 -10.682 -0.748 -5.423 931 HB2 TRP 113 HB2 TRP 113 -12.296 -0.369 -3.521 932 HB3 TRP 113 HB1 TRP 113 -10.661 0.289 -3.299 933 HD1 TRP 113 HD1 TRP 113 -10.428 2.899 -3.067 934 HE1 TRP 113 HE1 TRP 113 -12.104 4.847 -2.887 935 HE3 TRP 113 HE3 TRP 113 -14.719 0.402 -4.300 936 HZ2 TRP 113 HZ2 TRP 113 -14.864 5.265 -3.221 937 HZ3 TRP 113 HZ3 TRP 113 -16.835 1.653 -4.342 938 HH2 TRP 113 HH2 TRP 113 -16.906 4.034 -3.813 939 H ARG 114 HN ARG 114 -12.893 -1.703 -4.767 940 HA ARG 114 HA ARG 114 -14.956 -0.885 -6.675 941 HB2 ARG 114 HB2 ARG 114 -13.702 -3.547 -6.253 942 HB3 ARG 114 HB1 ARG 114 -15.248 -3.385 -7.060 943 HG2 ARG 114 HG2 ARG 114 -14.174 -2.023 -8.797 944 HG3 ARG 114 HG1 ARG 114 -12.623 -2.220 -7.979 945 HD2 ARG 114 HD2 ARG 114 -12.873 -3.774 -9.858 946 HD3 ARG 114 HD1 ARG 114 -12.718 -4.616 -8.320 947 HE ARG 114 HE ARG 114 -15.447 -4.176 -9.087 948 HH11 ARG 114 HH11 ARG 114 -12.684 -6.292 -9.487 949 HH12 ARG 114 HH12 ARG 114 -13.640 -7.674 -9.909 950 HH21 ARG 114 HH21 ARG 114 -16.708 -5.989 -9.670 951 HH22 ARG 114 HH22 ARG 114 -15.932 -7.496 -10.033 952 H SER 115 HN SER 115 -16.940 -2.272 -6.227 953 HA SER 115 HA SER 115 -17.470 -3.553 -3.842 954 HB2 SER 115 HB2 SER 115 -18.669 -1.795 -2.558 955 HB3 SER 115 HB1 SER 115 -16.948 -1.462 -2.695 956 HG SER 115 HG SER 115 -18.743 -0.391 -4.578 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 19.865 1.405 -6.014 2 H2 ALA 1 HT2 ALA 1 21.202 1.210 -5.002 3 H3 ALA 1 HT3 ALA 1 20.753 2.755 -5.517 4 HA ALA 1 HA ALA 1 20.101 2.377 -3.233 5 HB1 ALA 1 HB1 ALA 1 18.768 3.854 -4.700 6 HB2 ALA 1 HB2 ALA 1 17.789 3.080 -3.454 7 HB3 ALA 1 HB3 ALA 1 17.742 2.482 -5.114 8 H MET 2 HN MET 2 20.045 0.663 -1.922 9 HA MET 2 HA MET 2 18.018 -1.354 -2.217 10 HB2 MET 2 HB2 MET 2 19.774 -2.096 -3.822 11 HB3 MET 2 HB1 MET 2 20.908 -2.192 -2.485 12 HG2 MET 2 HG2 MET 2 19.521 -3.905 -1.432 13 HG3 MET 2 HG1 MET 2 18.389 -3.807 -2.780 14 HE1 MET 2 HE1 MET 2 19.630 -6.557 -1.875 15 HE2 MET 2 HE2 MET 2 20.057 -7.258 -3.435 16 HE3 MET 2 HE3 MET 2 18.543 -6.375 -3.252 17 H GLY 3 HN GLY 3 21.224 -0.867 -0.709 18 HA2 GLY 3 HA2 GLY 3 20.377 -2.118 1.744 19 HA3 GLY 3 HA1 GLY 3 21.924 -1.337 1.449 20 H CYS 4 HN CYS 4 18.823 -1.047 2.828 21 HA CYS 4 HA CYS 4 19.458 1.437 4.091 22 HB2 CYS 4 HB2 CYS 4 18.111 1.506 1.572 23 HB3 CYS 4 HB1 CYS 4 17.031 2.095 2.821 24 H LYS 5 HN LYS 5 17.640 2.237 5.407 25 HA LYS 5 HA LYS 5 16.581 0.994 7.361 26 HB2 LYS 5 HB2 LYS 5 15.917 3.266 6.247 27 HB3 LYS 5 HB1 LYS 5 14.495 2.320 5.885 28 HG2 LYS 5 HG2 LYS 5 14.267 1.778 8.288 29 HG3 LYS 5 HG1 LYS 5 15.594 2.892 8.609 30 HD2 LYS 5 HD2 LYS 5 12.993 3.641 7.274 31 HD3 LYS 5 HD1 LYS 5 13.365 3.902 8.978 32 HE2 LYS 5 HE2 LYS 5 15.296 5.297 8.286 33 HE3 LYS 5 HE1 LYS 5 14.785 5.109 6.610 34 HZ1 LYS 5 HZ1 LYS 5 13.182 6.358 8.774 35 HZ2 LYS 5 HZ2 LYS 5 12.691 6.190 7.160 36 HZ3 LYS 5 HZ3 LYS 5 14.002 7.189 7.553 37 H GLU 6 HN GLU 6 15.074 -0.467 8.064 38 HA GLU 6 HA GLU 6 13.717 -2.268 6.429 39 HB2 GLU 6 HB2 GLU 6 12.661 -1.157 9.035 40 HB3 GLU 6 HB1 GLU 6 12.223 -2.682 8.274 41 HG2 GLU 6 HG2 GLU 6 13.663 -3.317 9.948 42 HG3 GLU 6 HG1 GLU 6 14.681 -3.286 8.504 43 H ILE 7 HN ILE 7 12.146 -1.969 5.029 44 HA ILE 7 HA ILE 7 11.164 0.709 4.647 45 HB ILE 7 HB ILE 7 10.808 -1.817 3.074 46 HG12 ILE 7 HG12 ILE 7 12.956 -1.196 2.686 47 HG13 ILE 7 HG11 ILE 7 12.133 -0.336 1.406 48 HG21 ILE 7 HG21 ILE 7 8.857 -0.404 2.731 49 HG22 ILE 7 HG22 ILE 7 9.881 -0.486 1.282 50 HG23 ILE 7 HG23 ILE 7 9.942 0.934 2.324 51 HD11 ILE 7 HD11 ILE 7 12.110 1.662 2.820 52 HD12 ILE 7 HD12 ILE 7 13.739 1.109 2.425 53 HD13 ILE 7 HD13 ILE 7 13.055 0.789 4.023 54 H GLU 8 HN GLU 8 9.152 1.456 5.012 55 HA GLU 8 HA GLU 8 7.247 -0.442 6.199 56 HB2 GLU 8 HB2 GLU 8 7.443 2.526 6.742 57 HB3 GLU 8 HB1 GLU 8 6.339 1.395 7.501 58 HG2 GLU 8 HG2 GLU 8 8.072 0.320 8.669 59 HG3 GLU 8 HG1 GLU 8 9.317 1.127 7.719 60 H ILE 9 HN ILE 9 4.980 0.022 5.763 61 HA ILE 9 HA ILE 9 4.651 1.299 3.180 62 HB ILE 9 HB ILE 9 3.044 -0.710 2.823 63 HG12 ILE 9 HG12 ILE 9 4.734 -1.624 5.047 64 HG13 ILE 9 HG11 ILE 9 3.228 -2.292 4.411 65 HG21 ILE 9 HG21 ILE 9 4.821 -0.016 1.363 66 HG22 ILE 9 HG22 ILE 9 4.887 -1.768 1.585 67 HG23 ILE 9 HG23 ILE 9 6.010 -0.727 2.457 68 HD11 ILE 9 HD11 ILE 9 4.409 -3.409 2.682 69 HD12 ILE 9 HD12 ILE 9 5.179 -3.792 4.225 70 HD13 ILE 9 HD13 ILE 9 5.904 -2.598 3.137 71 H VAL 10 HN VAL 10 2.795 2.565 2.969 72 HA VAL 10 HA VAL 10 1.045 2.480 5.348 73 HB VAL 10 HB VAL 10 1.597 4.650 5.390 74 HG11 VAL 10 HG11 VAL 10 2.230 4.330 2.500 75 HG12 VAL 10 HG12 VAL 10 3.270 4.842 3.827 76 HG13 VAL 10 HG13 VAL 10 2.057 5.947 3.177 77 HG21 VAL 10 HG21 VAL 10 -0.793 4.719 4.958 78 HG22 VAL 10 HG22 VAL 10 -0.495 4.743 3.217 79 HG23 VAL 10 HG23 VAL 10 -0.002 6.111 4.210 80 H ILE 11 HN ILE 11 -0.853 1.636 5.203 81 HA ILE 11 HA ILE 11 -2.311 1.788 2.666 82 HB ILE 11 HB ILE 11 -2.769 -0.151 4.944 83 HG12 ILE 11 HG12 ILE 11 -0.648 -0.665 3.937 84 HG13 ILE 11 HG11 ILE 11 -1.838 -1.863 3.414 85 HG21 ILE 11 HG21 ILE 11 -4.623 0.570 3.270 86 HG22 ILE 11 HG22 ILE 11 -4.440 -1.125 3.720 87 HG23 ILE 11 HG23 ILE 11 -3.792 -0.549 2.176 88 HD11 ILE 11 HD11 ILE 11 -2.068 -0.851 1.325 89 HD12 ILE 11 HD12 ILE 11 -0.332 -0.954 1.637 90 HD13 ILE 11 HD13 ILE 11 -1.189 0.579 1.847 91 H LYS 12 HN LYS 12 -3.579 3.487 2.825 92 HA LYS 12 HA LYS 12 -4.830 4.106 5.421 93 HB2 LYS 12 HB2 LYS 12 -3.591 5.795 3.612 94 HB3 LYS 12 HB1 LYS 12 -5.319 6.020 3.259 95 HG2 LYS 12 HG2 LYS 12 -4.133 6.259 6.004 96 HG3 LYS 12 HG1 LYS 12 -4.363 7.613 4.909 97 HD2 LYS 12 HD2 LYS 12 -6.777 7.113 4.850 98 HD3 LYS 12 HD1 LYS 12 -6.510 5.842 6.045 99 HE2 LYS 12 HE2 LYS 12 -7.299 7.964 7.046 100 HE3 LYS 12 HE1 LYS 12 -5.728 7.449 7.656 101 HZ1 LYS 12 HZ1 LYS 12 -6.170 9.513 5.565 102 HZ2 LYS 12 HZ2 LYS 12 -4.667 9.030 6.170 103 HZ3 LYS 12 HZ3 LYS 12 -5.769 9.820 7.178 104 H ASN 13 HN ASN 13 -7.034 4.251 5.585 105 HA ASN 13 HA ASN 13 -8.638 3.770 3.191 106 HB2 ASN 13 HB2 ASN 13 -10.178 2.540 4.882 107 HB3 ASN 13 HB1 ASN 13 -8.790 1.688 4.223 108 HD21 ASN 13 HD21 ASN 13 -8.742 0.288 5.958 109 HD22 ASN 13 HD22 ASN 13 -8.195 0.773 7.523 110 H THR 14 HN THR 14 -10.167 5.348 2.948 111 HA THR 14 HA THR 14 -11.460 6.491 5.174 112 HB THR 14 HB THR 14 -9.476 7.639 5.667 113 HG1 THR 14 HG1 THR 14 -10.164 9.767 5.471 114 HG21 THR 14 HG21 THR 14 -9.463 8.419 2.780 115 HG22 THR 14 HG22 THR 14 -8.388 7.240 3.574 116 HG23 THR 14 HG23 THR 14 -8.294 8.952 4.001 117 H LEU 15 HN LEU 15 -13.230 5.992 3.844 118 HA LEU 15 HA LEU 15 -13.797 7.846 1.760 119 HB2 LEU 15 HB2 LEU 15 -15.466 5.679 3.017 120 HB3 LEU 15 HB1 LEU 15 -16.043 6.739 1.773 121 HG LEU 15 HG LEU 15 -14.478 5.898 0.222 122 HD11 LEU 15 HD11 LEU 15 -12.631 5.664 1.428 123 HD12 LEU 15 HD12 LEU 15 -13.002 4.050 0.786 124 HD13 LEU 15 HD13 LEU 15 -13.340 4.437 2.485 125 HD21 LEU 15 HD21 LEU 15 -15.212 3.564 0.054 126 HD22 LEU 15 HD22 LEU 15 -16.553 4.633 0.466 127 HD23 LEU 15 HD23 LEU 15 -15.792 3.648 1.716 128 H GLY 16 HN GLY 16 -14.432 7.277 5.079 129 HA2 GLY 16 HA2 GLY 16 -14.953 9.492 6.266 130 HA3 GLY 16 HA1 GLY 16 -16.428 9.418 5.294 131 HA PRO 17 HA PRO 17 -17.310 6.129 8.273 132 HB2 PRO 17 HB2 PRO 17 -19.967 5.876 7.861 133 HB3 PRO 17 HB1 PRO 17 -19.290 7.334 8.595 134 HG2 PRO 17 HG2 PRO 17 -20.460 6.977 5.921 135 HG3 PRO 17 HG1 PRO 17 -20.164 8.471 6.820 136 HD2 PRO 17 HD2 PRO 17 -18.505 7.191 4.761 137 HD3 PRO 17 HD1 PRO 17 -18.390 8.836 5.431 138 H SER 18 HN SER 18 -17.922 3.871 8.318 139 HA SER 18 HA SER 18 -17.564 1.742 7.551 140 HB2 SER 18 HB2 SER 18 -19.296 1.005 5.910 141 HB3 SER 18 HB1 SER 18 -19.957 1.916 7.265 142 HG SER 18 HG SER 18 -19.249 3.404 5.028 143 H ARG 19 HN ARG 19 -15.454 1.948 6.830 144 HA ARG 19 HA ARG 19 -15.105 1.981 3.938 145 HB2 ARG 19 HB2 ARG 19 -13.200 3.484 5.737 146 HB3 ARG 19 HB1 ARG 19 -13.344 3.520 4.018 147 HG2 ARG 19 HG2 ARG 19 -14.431 5.429 4.378 148 HG3 ARG 19 HG1 ARG 19 -15.797 4.373 4.741 149 HD2 ARG 19 HD2 ARG 19 -13.925 5.764 6.592 150 HD3 ARG 19 HD1 ARG 19 -15.679 5.840 6.559 151 HE ARG 19 HE ARG 19 -14.753 3.225 7.184 152 HH11 ARG 19 HH11 ARG 19 -15.310 6.386 8.625 153 HH12 ARG 19 HH12 ARG 19 -15.405 5.753 10.240 154 HH21 ARG 19 HH21 ARG 19 -14.905 2.427 9.343 155 HH22 ARG 19 HH22 ARG 19 -15.191 3.541 10.638 156 H ILE 20 HN ILE 20 -14.615 -0.085 3.785 157 HA ILE 20 HA ILE 20 -12.486 -1.152 5.506 158 HB ILE 20 HB ILE 20 -14.715 -2.947 4.704 159 HG12 ILE 20 HG12 ILE 20 -15.782 -1.066 5.765 160 HG13 ILE 20 HG11 ILE 20 -15.930 -2.506 6.733 161 HG21 ILE 20 HG21 ILE 20 -14.105 -4.101 6.740 162 HG22 ILE 20 HG22 ILE 20 -12.902 -2.863 7.066 163 HG23 ILE 20 HG23 ILE 20 -12.716 -3.921 5.663 164 HD11 ILE 20 HD11 ILE 20 -14.271 -1.722 8.226 165 HD12 ILE 20 HD12 ILE 20 -15.460 -0.426 7.988 166 HD13 ILE 20 HD13 ILE 20 -13.896 -0.362 7.170 167 H LEU 21 HN LEU 21 -10.999 -2.279 4.489 168 HA LEU 21 HA LEU 21 -11.515 -3.452 1.876 169 HB2 LEU 21 HB2 LEU 21 -9.150 -2.392 1.246 170 HB3 LEU 21 HB1 LEU 21 -10.668 -1.513 0.993 171 HG LEU 21 HG LEU 21 -9.499 -1.096 3.652 172 HD11 LEU 21 HD11 LEU 21 -7.423 -1.200 2.437 173 HD12 LEU 21 HD12 LEU 21 -7.793 0.480 2.827 174 HD13 LEU 21 HD13 LEU 21 -8.061 -0.126 1.194 175 HD21 LEU 21 HD21 LEU 21 -11.419 0.133 2.928 176 HD22 LEU 21 HD22 LEU 21 -10.598 0.647 1.457 177 HD23 LEU 21 HD23 LEU 21 -10.062 1.252 3.019 178 H GLN 22 HN GLN 22 -10.524 -5.357 1.695 179 HA GLN 22 HA GLN 22 -8.786 -6.184 3.870 180 HB2 GLN 22 HB2 GLN 22 -10.687 -7.612 3.351 181 HB3 GLN 22 HB1 GLN 22 -10.193 -7.706 1.667 182 HG2 GLN 22 HG2 GLN 22 -8.081 -8.756 2.466 183 HG3 GLN 22 HG1 GLN 22 -8.826 -8.882 4.056 184 HE21 GLN 22 HE21 GLN 22 -10.564 -10.287 4.353 185 HE22 GLN 22 HE22 GLN 22 -10.921 -11.551 3.228 186 H TYR 23 HN TYR 23 -6.723 -5.552 3.459 187 HA TYR 23 HA TYR 23 -5.816 -5.642 0.692 188 HB2 TYR 23 HB2 TYR 23 -3.905 -4.245 1.442 189 HB3 TYR 23 HB1 TYR 23 -5.465 -3.487 1.703 190 HD1 TYR 23 HD1 TYR 23 -6.475 -3.664 4.032 191 HD2 TYR 23 HD2 TYR 23 -2.403 -4.506 3.208 192 HE1 TYR 23 HE1 TYR 23 -5.947 -3.396 6.421 193 HE2 TYR 23 HE2 TYR 23 -1.851 -4.245 5.592 194 HH TYR 23 HH TYR 23 -2.671 -3.344 7.590 195 H HIS 24 HN HIS 24 -5.041 -7.476 0.161 196 HA HIS 24 HA HIS 24 -3.465 -9.098 1.951 197 HB2 HIS 24 HB2 HIS 24 -4.868 -10.215 0.321 198 HB3 HIS 24 HB1 HIS 24 -4.069 -9.378 -0.996 199 HD1 HIS 24 HD1 HIS 24 -1.842 -10.584 1.688 200 HD2 HIS 24 HD2 HIS 24 -3.287 -11.961 -1.971 201 HE1 HIS 24 HE1 HIS 24 -0.368 -12.529 1.050 202 HE2 HIS 24 HE2 HIS 24 -1.149 -13.215 -1.244 203 H CYS 25 HN CYS 25 -1.578 -8.091 2.438 204 HA CYS 25 HA CYS 25 -0.082 -7.115 0.158 205 HB2 CYS 25 HB2 CYS 25 -0.510 -5.858 2.497 206 HB3 CYS 25 HB1 CYS 25 1.014 -6.667 2.861 207 H ARG 26 HN ARG 26 1.838 -7.824 -0.426 208 HA ARG 26 HA ARG 26 3.048 -10.008 1.115 209 HB2 ARG 26 HB2 ARG 26 3.599 -11.166 -0.998 210 HB3 ARG 26 HB1 ARG 26 1.864 -11.069 -0.730 211 HG2 ARG 26 HG2 ARG 26 1.528 -9.676 -2.493 212 HG3 ARG 26 HG1 ARG 26 3.121 -8.929 -2.349 213 HD2 ARG 26 HD2 ARG 26 2.620 -11.733 -3.333 214 HD3 ARG 26 HD1 ARG 26 2.873 -10.333 -4.376 215 HE ARG 26 HE ARG 26 5.032 -10.381 -2.674 216 HH11 ARG 26 HH11 ARG 26 3.644 -12.597 -5.003 217 HH12 ARG 26 HH12 ARG 26 5.174 -13.298 -5.426 218 HH21 ARG 26 HH21 ARG 26 7.035 -11.315 -3.216 219 HH22 ARG 26 HH22 ARG 26 7.096 -12.589 -4.396 220 H SER 27 HN SER 27 5.328 -10.210 0.745 221 HA SER 27 HA SER 27 6.481 -7.592 0.171 222 HB2 SER 27 HB2 SER 27 7.802 -9.946 1.511 223 HB3 SER 27 HB1 SER 27 8.321 -8.259 1.541 224 HG SER 27 HG SER 27 6.080 -7.963 2.512 225 H GLY 28 HN GLY 28 8.750 -7.655 -0.744 226 HA2 GLY 28 HA2 GLY 28 8.671 -8.596 -3.345 227 HA3 GLY 28 HA1 GLY 28 10.135 -8.103 -2.496 228 H ASN 29 HN ASN 29 10.272 -10.058 -0.535 229 HA ASN 29 HA ASN 29 10.199 -12.643 -1.919 230 HB2 ASN 29 HB2 ASN 29 12.490 -11.610 -2.158 231 HB3 ASN 29 HB1 ASN 29 12.629 -11.637 -0.405 232 HD21 ASN 29 HD21 ASN 29 12.443 -13.593 -3.293 233 HD22 ASN 29 HD22 ASN 29 13.110 -15.029 -2.595 234 H THR 30 HN THR 30 8.448 -11.593 -0.009 235 HA THR 30 HA THR 30 8.767 -13.395 2.229 236 HB THR 30 HB THR 30 8.210 -10.745 3.287 237 HG1 THR 30 HG1 THR 30 10.897 -11.067 2.433 238 HG21 THR 30 HG21 THR 30 10.356 -12.785 3.883 239 HG22 THR 30 HG22 THR 30 8.780 -12.673 4.666 240 HG23 THR 30 HG23 THR 30 9.966 -11.384 4.882 241 H ASN 31 HN ASN 31 6.796 -13.316 3.664 242 HA ASN 31 HA ASN 31 4.440 -12.480 2.107 243 HB2 ASN 31 HB2 ASN 31 3.192 -14.245 3.267 244 HB3 ASN 31 HB1 ASN 31 4.584 -14.911 2.424 245 HD21 ASN 31 HD21 ASN 31 2.975 -15.817 4.777 246 HD22 ASN 31 HD22 ASN 31 4.148 -16.134 6.008 247 H VAL 32 HN VAL 32 2.793 -11.340 3.095 248 HA VAL 32 HA VAL 32 3.447 -10.278 5.764 249 HB VAL 32 HB VAL 32 1.667 -9.001 3.682 250 HG11 VAL 32 HG11 VAL 32 1.053 -8.390 5.953 251 HG12 VAL 32 HG12 VAL 32 1.800 -7.021 5.128 252 HG13 VAL 32 HG13 VAL 32 2.725 -7.951 6.305 253 HG21 VAL 32 HG21 VAL 32 3.479 -7.384 3.371 254 HG22 VAL 32 HG22 VAL 32 3.986 -9.017 2.938 255 HG23 VAL 32 HG23 VAL 32 4.495 -8.313 4.473 256 H GLY 33 HN GLY 33 0.452 -10.763 3.802 257 HA2 GLY 33 HA2 GLY 33 -0.958 -12.539 5.095 258 HA3 GLY 33 HA1 GLY 33 -0.965 -11.253 6.296 259 H VAL 34 HN VAL 34 -3.307 -11.580 5.846 260 HA VAL 34 HA VAL 34 -4.170 -9.709 3.756 261 HB VAL 34 HB VAL 34 -5.585 -12.318 4.310 262 HG11 VAL 34 HG11 VAL 34 -7.040 -10.561 3.502 263 HG12 VAL 34 HG12 VAL 34 -6.779 -11.746 2.219 264 HG13 VAL 34 HG13 VAL 34 -5.924 -10.202 2.186 265 HG21 VAL 34 HG21 VAL 34 -3.280 -12.531 3.274 266 HG22 VAL 34 HG22 VAL 34 -3.935 -11.656 1.889 267 HG23 VAL 34 HG23 VAL 34 -4.621 -13.218 2.344 268 H GLN 35 HN GLN 35 -5.382 -8.138 4.795 269 HA GLN 35 HA GLN 35 -7.000 -8.847 7.095 270 HB2 GLN 35 HB2 GLN 35 -4.954 -8.372 8.151 271 HB3 GLN 35 HB1 GLN 35 -4.601 -7.040 7.056 272 HG2 GLN 35 HG2 GLN 35 -6.153 -5.646 8.084 273 HG3 GLN 35 HG1 GLN 35 -6.906 -6.992 8.917 274 HE21 GLN 35 HE21 GLN 35 -4.158 -4.853 8.821 275 HE22 GLN 35 HE22 GLN 35 -3.589 -5.197 10.420 276 H TYR 36 HN TYR 36 -8.766 -7.531 7.381 277 HA TYR 36 HA TYR 36 -9.113 -5.290 5.553 278 HB2 TYR 36 HB2 TYR 36 -11.433 -5.261 6.123 279 HB3 TYR 36 HB1 TYR 36 -10.974 -6.892 5.666 280 HD1 TYR 36 HD1 TYR 36 -10.313 -8.432 7.572 281 HD2 TYR 36 HD2 TYR 36 -12.537 -4.888 8.081 282 HE1 TYR 36 HE1 TYR 36 -11.185 -9.316 9.710 283 HE2 TYR 36 HE2 TYR 36 -13.435 -5.719 10.214 284 HH TYR 36 HH TYR 36 -12.123 -8.412 11.817 285 H LEU 37 HN LEU 37 -9.615 -3.195 6.319 286 HA LEU 37 HA LEU 37 -9.297 -2.782 9.196 287 HB2 LEU 37 HB2 LEU 37 -7.213 -2.383 7.398 288 HB3 LEU 37 HB1 LEU 37 -7.874 -0.783 7.623 289 HG LEU 37 HG LEU 37 -6.029 -1.127 9.143 290 HD11 LEU 37 HD11 LEU 37 -7.078 -0.586 11.248 291 HD12 LEU 37 HD12 LEU 37 -8.622 -1.212 10.672 292 HD13 LEU 37 HD13 LEU 37 -7.922 0.227 9.931 293 HD21 LEU 37 HD21 LEU 37 -7.589 -3.474 10.210 294 HD22 LEU 37 HD22 LEU 37 -6.091 -2.835 10.884 295 HD23 LEU 37 HD23 LEU 37 -6.096 -3.554 9.274 296 H ASN 38 HN ASN 38 -10.272 -0.927 9.968 297 HA ASN 38 HA ASN 38 -12.279 0.295 8.245 298 HB2 ASN 38 HB2 ASN 38 -11.830 0.939 11.154 299 HB3 ASN 38 HB1 ASN 38 -13.322 1.036 10.232 300 HD21 ASN 38 HD21 ASN 38 -14.607 -0.758 10.043 301 HD22 ASN 38 HD22 ASN 38 -14.295 -2.240 10.877 302 H PHE 39 HN PHE 39 -12.503 2.620 8.133 303 HA PHE 39 HA PHE 39 -10.092 4.076 7.846 304 HB2 PHE 39 HB2 PHE 39 -11.853 4.830 6.476 305 HB3 PHE 39 HB1 PHE 39 -13.001 4.794 7.807 306 HD1 PHE 39 HD1 PHE 39 -9.641 6.489 7.616 307 HD2 PHE 39 HD2 PHE 39 -13.900 6.940 7.937 308 HE1 PHE 39 HE1 PHE 39 -9.399 8.924 7.853 309 HE2 PHE 39 HE2 PHE 39 -13.619 9.367 8.169 310 HZ PHE 39 HZ PHE 39 -11.366 10.331 8.356 311 H LYS 40 HN LYS 40 -8.900 4.216 9.611 312 HA LYS 40 HA LYS 40 -9.984 5.716 11.903 313 HB2 LYS 40 HB2 LYS 40 -7.794 3.665 12.081 314 HB3 LYS 40 HB1 LYS 40 -8.663 4.417 13.406 315 HG2 LYS 40 HG2 LYS 40 -10.613 3.160 12.971 316 HG3 LYS 40 HG1 LYS 40 -10.002 2.620 11.406 317 HD2 LYS 40 HD2 LYS 40 -9.798 0.806 12.951 318 HD3 LYS 40 HD1 LYS 40 -8.181 1.419 12.611 319 HE2 LYS 40 HE2 LYS 40 -8.344 1.008 14.959 320 HE3 LYS 40 HE1 LYS 40 -8.317 2.752 14.707 321 HZ1 LYS 40 HZ1 LYS 40 -10.759 1.133 15.170 322 HZ2 LYS 40 HZ2 LYS 40 -10.699 2.812 14.995 323 HZ3 LYS 40 HZ3 LYS 40 -9.981 2.077 16.335 324 H GLY 41 HN GLY 41 -7.083 4.645 10.243 325 HA2 GLY 41 HA2 GLY 41 -6.134 7.273 9.743 326 HA3 GLY 41 HA1 GLY 41 -5.234 6.507 11.050 327 H THR 42 HN THR 42 -3.357 6.568 9.618 328 HA THR 42 HA THR 42 -3.357 4.807 7.341 329 HB THR 42 HB THR 42 -0.769 5.079 7.739 330 HG1 THR 42 HG1 THR 42 -0.297 7.027 8.801 331 HG21 THR 42 HG21 THR 42 -2.115 5.939 5.863 332 HG22 THR 42 HG22 THR 42 -0.827 7.047 6.349 333 HG23 THR 42 HG23 THR 42 -2.493 7.374 6.823 334 H ARG 43 HN ARG 43 -2.462 2.791 7.198 335 HA ARG 43 HA ARG 43 -1.933 1.440 9.745 336 HB2 ARG 43 HB2 ARG 43 -4.049 0.703 8.686 337 HB3 ARG 43 HB1 ARG 43 -3.134 0.252 7.259 338 HG2 ARG 43 HG2 ARG 43 -3.614 -1.705 8.582 339 HG3 ARG 43 HG1 ARG 43 -1.880 -1.384 8.589 340 HD2 ARG 43 HD2 ARG 43 -2.105 -0.304 10.787 341 HD3 ARG 43 HD1 ARG 43 -3.830 -0.670 10.779 342 HE ARG 43 HE ARG 43 -2.319 -3.029 10.392 343 HH11 ARG 43 HH11 ARG 43 -3.203 -0.730 12.883 344 HH12 ARG 43 HH12 ARG 43 -3.039 -1.877 14.172 345 HH21 ARG 43 HH21 ARG 43 -2.086 -4.535 12.096 346 HH22 ARG 43 HH22 ARG 43 -2.409 -4.040 13.724 347 H ILE 44 HN ILE 44 0.185 1.055 9.881 348 HA ILE 44 HA ILE 44 1.604 0.893 7.323 349 HB ILE 44 HB ILE 44 2.700 2.030 9.895 350 HG12 ILE 44 HG12 ILE 44 2.658 4.105 8.218 351 HG13 ILE 44 HG11 ILE 44 1.291 3.217 7.559 352 HG21 ILE 44 HG21 ILE 44 4.305 0.982 8.265 353 HG22 ILE 44 HG22 ILE 44 4.579 2.695 8.595 354 HG23 ILE 44 HG23 ILE 44 3.776 2.204 7.102 355 HD11 ILE 44 HD11 ILE 44 0.177 3.289 9.706 356 HD12 ILE 44 HD12 ILE 44 0.608 4.916 9.182 357 HD13 ILE 44 HD13 ILE 44 1.566 4.106 10.421 358 H ILE 45 HN ILE 45 2.796 -0.707 6.906 359 HA ILE 45 HA ILE 45 3.422 -2.682 8.963 360 HB ILE 45 HB ILE 45 2.977 -2.849 6.075 361 HG12 ILE 45 HG12 ILE 45 1.955 -4.792 7.904 362 HG13 ILE 45 HG11 ILE 45 1.332 -3.172 8.103 363 HG21 ILE 45 HG21 ILE 45 3.675 -5.207 6.102 364 HG22 ILE 45 HG22 ILE 45 4.377 -4.917 7.695 365 HG23 ILE 45 HG23 ILE 45 5.001 -4.057 6.284 366 HD11 ILE 45 HD11 ILE 45 -0.088 -4.455 6.644 367 HD12 ILE 45 HD12 ILE 45 1.286 -4.820 5.599 368 HD13 ILE 45 HD13 ILE 45 0.712 -3.160 5.754 369 H LYS 46 HN LYS 46 5.610 -3.458 9.116 370 HA LYS 46 HA LYS 46 7.516 -2.029 7.398 371 HB2 LYS 46 HB2 LYS 46 9.151 -1.964 9.177 372 HB3 LYS 46 HB1 LYS 46 7.664 -1.218 9.740 373 HG2 LYS 46 HG2 LYS 46 7.130 -3.085 11.091 374 HG3 LYS 46 HG1 LYS 46 8.395 -4.066 10.348 375 HD2 LYS 46 HD2 LYS 46 9.078 -3.274 12.559 376 HD3 LYS 46 HD1 LYS 46 10.102 -2.594 11.294 377 HE2 LYS 46 HE2 LYS 46 8.765 -0.524 11.365 378 HE3 LYS 46 HE1 LYS 46 7.806 -1.209 12.676 379 HZ1 LYS 46 HZ1 LYS 46 10.727 -0.684 12.767 380 HZ2 LYS 46 HZ2 LYS 46 9.802 -1.325 14.027 381 HZ3 LYS 46 HZ3 LYS 46 9.533 0.261 13.503 382 H PHE 47 HN PHE 47 9.557 -3.220 7.016 383 HA PHE 47 HA PHE 47 9.556 -6.041 7.255 384 HB2 PHE 47 HB2 PHE 47 8.079 -4.908 5.026 385 HB3 PHE 47 HB1 PHE 47 9.447 -5.863 4.460 386 HD1 PHE 47 HD1 PHE 47 6.288 -5.947 6.324 387 HD2 PHE 47 HD2 PHE 47 9.516 -8.241 4.768 388 HE1 PHE 47 HE1 PHE 47 5.024 -8.006 6.754 389 HE2 PHE 47 HE2 PHE 47 8.257 -10.303 5.209 390 HZ PHE 47 HZ PHE 47 6.009 -10.192 6.197 391 H LYS 48 HN LYS 48 11.560 -6.734 6.922 392 HA LYS 48 HA LYS 48 13.444 -4.715 5.932 393 HB2 LYS 48 HB2 LYS 48 14.870 -5.228 7.845 394 HB3 LYS 48 HB1 LYS 48 13.283 -4.585 8.287 395 HG2 LYS 48 HG2 LYS 48 13.739 -6.274 9.850 396 HG3 LYS 48 HG1 LYS 48 12.577 -6.968 8.726 397 HD2 LYS 48 HD2 LYS 48 14.156 -8.665 9.107 398 HD3 LYS 48 HD1 LYS 48 14.576 -7.998 7.534 399 HE2 LYS 48 HE2 LYS 48 15.916 -7.250 10.132 400 HE3 LYS 48 HE1 LYS 48 16.535 -8.444 8.999 401 HZ1 LYS 48 HZ1 LYS 48 16.494 -6.571 7.311 402 HZ2 LYS 48 HZ2 LYS 48 17.674 -6.489 8.515 403 HZ3 LYS 48 HZ3 LYS 48 16.297 -5.521 8.627 404 H ASP 49 HN ASP 49 12.235 -7.382 5.051 405 HA ASP 49 HA ASP 49 14.532 -9.134 4.830 406 HB2 ASP 49 HB2 ASP 49 12.213 -9.975 5.247 407 HB3 ASP 49 HB1 ASP 49 11.761 -9.412 3.644 408 H ASP 50 HN ASP 50 15.060 -10.041 2.604 409 HA ASP 50 HA ASP 50 14.605 -8.502 0.294 410 HB2 ASP 50 HB2 ASP 50 15.953 -6.803 1.241 411 HB3 ASP 50 HB1 ASP 50 17.139 -7.974 1.794 412 H GLY 51 HN GLY 51 14.539 -10.165 -1.034 413 HA2 GLY 51 HA2 GLY 51 16.831 -12.027 -1.042 414 HA3 GLY 51 HA1 GLY 51 15.183 -12.561 -1.328 415 H THR 52 HN THR 52 15.316 -9.664 -2.802 416 HA THR 52 HA THR 52 16.415 -10.733 -5.320 417 HB THR 52 HB THR 52 14.648 -9.618 -6.561 418 HG1 THR 52 HG1 THR 52 13.999 -8.680 -4.063 419 HG21 THR 52 HG21 THR 52 14.371 -11.969 -6.094 420 HG22 THR 52 HG22 THR 52 12.803 -11.167 -6.011 421 HG23 THR 52 HG23 THR 52 13.650 -11.604 -4.527 422 H GLU 53 HN GLU 53 15.867 -8.332 -6.815 423 HA GLU 53 HA GLU 53 18.025 -6.701 -5.837 424 HB2 GLU 53 HB2 GLU 53 16.204 -6.406 -8.225 425 HB3 GLU 53 HB1 GLU 53 17.557 -5.345 -7.879 426 HG2 GLU 53 HG2 GLU 53 17.765 -8.304 -8.358 427 HG3 GLU 53 HG1 GLU 53 18.079 -7.056 -9.560 428 H ARG 54 HN ARG 54 14.570 -6.155 -6.503 429 HA ARG 54 HA ARG 54 14.635 -3.687 -4.958 430 HB2 ARG 54 HB2 ARG 54 12.414 -5.025 -6.506 431 HB3 ARG 54 HB1 ARG 54 12.228 -3.521 -5.620 432 HG2 ARG 54 HG2 ARG 54 13.976 -2.514 -7.058 433 HG3 ARG 54 HG1 ARG 54 14.005 -4.010 -7.996 434 HD2 ARG 54 HD2 ARG 54 11.655 -3.725 -8.555 435 HD3 ARG 54 HD1 ARG 54 11.584 -2.262 -7.573 436 HE ARG 54 HE ARG 54 13.538 -2.262 -9.717 437 HH11 ARG 54 HH11 ARG 54 10.296 -1.411 -8.703 438 HH12 ARG 54 HH12 ARG 54 10.108 -0.170 -9.899 439 HH21 ARG 54 HH21 ARG 54 13.281 -0.643 -11.318 440 HH22 ARG 54 HH22 ARG 54 11.801 0.259 -11.395 441 H SER 55 HN SER 55 13.035 -6.846 -4.924 442 HA SER 55 HA SER 55 11.884 -7.977 -3.326 443 HB2 SER 55 HB2 SER 55 13.723 -6.492 -1.435 444 HB3 SER 55 HB1 SER 55 12.868 -7.997 -1.098 445 HG SER 55 HG SER 55 15.270 -7.710 -2.141 446 H ARG 56 HN ARG 56 10.338 -6.003 -4.149 447 HA ARG 56 HA ARG 56 9.681 -4.401 -1.804 448 HB2 ARG 56 HB2 ARG 56 9.430 -2.612 -3.168 449 HB3 ARG 56 HB1 ARG 56 10.350 -3.570 -4.308 450 HG2 ARG 56 HG2 ARG 56 7.343 -3.422 -4.205 451 HG3 ARG 56 HG1 ARG 56 8.370 -2.510 -5.311 452 HD2 ARG 56 HD2 ARG 56 8.983 -4.417 -6.501 453 HD3 ARG 56 HD1 ARG 56 8.518 -5.500 -5.188 454 HE ARG 56 HE ARG 56 6.420 -3.938 -6.523 455 HH11 ARG 56 HH11 ARG 56 7.969 -7.045 -5.967 456 HH12 ARG 56 HH12 ARG 56 6.618 -7.960 -6.559 457 HH21 ARG 56 HH21 ARG 56 4.644 -5.133 -7.264 458 HH22 ARG 56 HH22 ARG 56 4.730 -6.873 -7.313 459 H TRP 57 HN TRP 57 7.132 -3.466 -2.217 460 HA TRP 57 HA TRP 57 5.924 -6.091 -1.591 461 HB2 TRP 57 HB2 TRP 57 5.557 -3.510 -0.043 462 HB3 TRP 57 HB1 TRP 57 5.081 -5.134 0.455 463 HD1 TRP 57 HD1 TRP 57 6.835 -6.511 1.783 464 HE1 TRP 57 HE1 TRP 57 9.310 -6.210 2.394 465 HE3 TRP 57 HE3 TRP 57 7.879 -2.281 -0.903 466 HZ2 TRP 57 HZ2 TRP 57 11.409 -4.436 1.869 467 HZ3 TRP 57 HZ3 TRP 57 10.150 -1.351 -0.787 468 HH2 TRP 57 HH2 TRP 57 11.879 -2.406 0.572 469 H ASN 58 HN ASN 58 3.557 -6.065 -1.647 470 HA ASN 58 HA ASN 58 2.310 -3.748 -2.834 471 HB2 ASN 58 HB2 ASN 58 1.299 -5.036 -4.719 472 HB3 ASN 58 HB1 ASN 58 3.038 -4.825 -4.863 473 HD21 ASN 58 HD21 ASN 58 4.386 -6.604 -4.646 474 HD22 ASN 58 HD22 ASN 58 3.792 -8.223 -4.751 475 H CYS 59 HN CYS 59 0.291 -3.516 -2.140 476 HA CYS 59 HA CYS 59 -0.886 -5.741 -0.627 477 HB2 CYS 59 HB2 CYS 59 -1.596 -2.805 -0.459 478 HB3 CYS 59 HB1 CYS 59 -2.180 -4.093 0.581 479 H LEU 60 HN LEU 60 -2.960 -6.475 -1.128 480 HA LEU 60 HA LEU 60 -4.070 -5.341 -3.608 481 HB2 LEU 60 HB2 LEU 60 -4.345 -8.206 -2.732 482 HB3 LEU 60 HB1 LEU 60 -4.631 -7.521 -4.316 483 HG LEU 60 HG LEU 60 -1.904 -7.778 -3.050 484 HD11 LEU 60 HD11 LEU 60 -1.560 -9.608 -4.646 485 HD12 LEU 60 HD12 LEU 60 -3.253 -9.494 -5.130 486 HD13 LEU 60 HD13 LEU 60 -2.836 -9.973 -3.484 487 HD21 LEU 60 HD21 LEU 60 -2.039 -5.976 -4.672 488 HD22 LEU 60 HD22 LEU 60 -2.760 -7.069 -5.853 489 HD23 LEU 60 HD23 LEU 60 -1.098 -7.320 -5.319 490 H PHE 61 HN PHE 61 -6.120 -4.566 -3.327 491 HA PHE 61 HA PHE 61 -7.224 -5.103 -0.658 492 HB2 PHE 61 HB2 PHE 61 -8.064 -2.953 -2.605 493 HB3 PHE 61 HB1 PHE 61 -8.625 -3.122 -0.964 494 HD1 PHE 61 HD1 PHE 61 -5.076 -3.689 -1.245 495 HD2 PHE 61 HD2 PHE 61 -8.058 -0.702 -0.963 496 HE1 PHE 61 HE1 PHE 61 -3.399 -2.096 -0.569 497 HE2 PHE 61 HE2 PHE 61 -6.369 0.943 -0.354 498 HZ PHE 61 HZ PHE 61 -4.009 0.251 -0.119 499 H ARG 62 HN ARG 62 -8.935 -6.343 -0.444 500 HA ARG 62 HA ARG 62 -10.541 -6.978 -2.838 501 HB2 ARG 62 HB2 ARG 62 -8.834 -8.715 -1.972 502 HB3 ARG 62 HB1 ARG 62 -9.933 -8.923 -0.620 503 HG2 ARG 62 HG2 ARG 62 -11.692 -9.644 -2.118 504 HG3 ARG 62 HG1 ARG 62 -10.651 -9.345 -3.515 505 HD2 ARG 62 HD2 ARG 62 -9.034 -10.989 -2.569 506 HD3 ARG 62 HD1 ARG 62 -10.219 -11.362 -1.320 507 HE ARG 62 HE ARG 62 -11.641 -11.804 -3.529 508 HH11 ARG 62 HH11 ARG 62 -8.420 -12.807 -2.614 509 HH12 ARG 62 HH12 ARG 62 -8.451 -14.247 -3.582 510 HH21 ARG 62 HH21 ARG 62 -11.702 -13.698 -4.796 511 HH22 ARG 62 HH22 ARG 62 -10.328 -14.760 -4.815 512 H GLN 63 HN GLN 63 -12.720 -7.725 -2.357 513 HA GLN 63 HA GLN 63 -13.785 -7.410 0.280 514 HB2 GLN 63 HB2 GLN 63 -13.654 -5.058 -0.334 515 HB3 GLN 63 HB1 GLN 63 -14.500 -5.376 -1.841 516 HG2 GLN 63 HG2 GLN 63 -15.989 -6.253 0.499 517 HG3 GLN 63 HG1 GLN 63 -15.633 -4.526 0.511 518 HE21 GLN 63 HE21 GLN 63 -17.818 -4.031 0.232 519 HE22 GLN 63 HE22 GLN 63 -18.611 -4.230 -1.292 520 H GLY 64 HN GLY 64 -14.348 -7.774 -3.171 521 HA2 GLY 64 HA2 GLY 64 -16.925 -9.052 -2.627 522 HA3 GLY 64 HA1 GLY 64 -16.356 -8.520 -4.199 523 H ILE 65 HN ILE 65 -15.840 -10.108 -5.549 524 HA ILE 65 HA ILE 65 -15.271 -12.707 -4.363 525 HB ILE 65 HB ILE 65 -17.345 -12.869 -5.389 526 HG12 ILE 65 HG12 ILE 65 -16.973 -14.469 -7.256 527 HG13 ILE 65 HG11 ILE 65 -15.273 -14.011 -7.272 528 HG21 ILE 65 HG21 ILE 65 -17.837 -12.152 -7.621 529 HG22 ILE 65 HG22 ILE 65 -16.159 -11.675 -7.864 530 HG23 ILE 65 HG23 ILE 65 -17.150 -10.828 -6.684 531 HD11 ILE 65 HD11 ILE 65 -15.622 -16.101 -6.088 532 HD12 ILE 65 HD12 ILE 65 -16.729 -15.297 -4.975 533 HD13 ILE 65 HD13 ILE 65 -15.024 -14.850 -4.999 534 H ASN 66 HN ASN 66 -14.671 -11.205 -7.561 535 HA ASN 66 HA ASN 66 -12.080 -12.605 -7.561 536 HB2 ASN 66 HB2 ASN 66 -13.610 -11.586 -9.965 537 HB3 ASN 66 HB1 ASN 66 -12.160 -12.582 -9.981 538 HD21 ASN 66 HD21 ASN 66 -12.325 -14.777 -9.366 539 HD22 ASN 66 HD22 ASN 66 -13.848 -15.597 -9.423 540 H MET 67 HN MET 67 -10.932 -11.203 -9.718 541 HA MET 67 HA MET 67 -9.928 -8.879 -8.485 542 HB2 MET 67 HB2 MET 67 -8.793 -8.419 -10.559 543 HB3 MET 67 HB1 MET 67 -8.721 -10.144 -10.242 544 HG2 MET 67 HG2 MET 67 -10.445 -10.567 -11.860 545 HG3 MET 67 HG1 MET 67 -10.684 -8.839 -12.109 546 HE1 MET 67 HE1 MET 67 -7.320 -7.778 -13.794 547 HE2 MET 67 HE2 MET 67 -7.610 -7.814 -12.058 548 HE3 MET 67 HE3 MET 67 -8.870 -7.240 -13.150 549 H LYS 68 HN LYS 68 -12.831 -9.434 -10.115 550 HA LYS 68 HA LYS 68 -13.515 -6.975 -11.188 551 HB2 LYS 68 HB2 LYS 68 -15.260 -8.884 -9.604 552 HB3 LYS 68 HB1 LYS 68 -15.850 -7.595 -10.648 553 HG2 LYS 68 HG2 LYS 68 -14.822 -8.689 -12.578 554 HG3 LYS 68 HG1 LYS 68 -14.238 -9.980 -11.528 555 HD2 LYS 68 HD2 LYS 68 -16.256 -10.686 -12.669 556 HD3 LYS 68 HD1 LYS 68 -16.566 -10.525 -10.940 557 HE2 LYS 68 HE2 LYS 68 -17.642 -8.395 -11.288 558 HE3 LYS 68 HE1 LYS 68 -17.219 -8.419 -12.997 559 HZ1 LYS 68 HZ1 LYS 68 -18.606 -10.423 -13.224 560 HZ2 LYS 68 HZ2 LYS 68 -19.489 -9.071 -12.729 561 HZ3 LYS 68 HZ3 LYS 68 -19.079 -10.265 -11.607 562 H PHE 69 HN PHE 69 -14.200 -8.122 -7.898 563 HA PHE 69 HA PHE 69 -14.452 -5.358 -6.981 564 HB2 PHE 69 HB2 PHE 69 -15.063 -7.980 -5.597 565 HB3 PHE 69 HB1 PHE 69 -15.316 -6.388 -4.891 566 HD1 PHE 69 HD1 PHE 69 -17.182 -5.031 -5.529 567 HD2 PHE 69 HD2 PHE 69 -16.460 -8.764 -7.438 568 HE1 PHE 69 HE1 PHE 69 -19.433 -4.954 -6.519 569 HE2 PHE 69 HE2 PHE 69 -18.710 -8.694 -8.434 570 HZ PHE 69 HZ PHE 69 -20.208 -6.792 -7.952 571 H PHE 70 HN PHE 70 -12.094 -5.069 -7.277 572 HA PHE 70 HA PHE 70 -10.431 -5.891 -5.067 573 HB2 PHE 70 HB2 PHE 70 -10.788 -7.821 -6.572 574 HB3 PHE 70 HB1 PHE 70 -9.951 -6.947 -7.840 575 HD1 PHE 70 HD1 PHE 70 -9.313 -7.521 -4.214 576 HD2 PHE 70 HD2 PHE 70 -7.958 -7.802 -8.201 577 HE1 PHE 70 HE1 PHE 70 -7.159 -8.331 -3.408 578 HE2 PHE 70 HE2 PHE 70 -5.823 -8.616 -7.448 579 HZ PHE 70 HZ PHE 70 -5.498 -9.047 -4.869 580 H THR 71 HN THR 71 -8.364 -4.908 -5.170 581 HA THR 71 HA THR 71 -7.523 -3.556 -7.576 582 HB THR 71 HB THR 71 -8.792 -1.782 -6.189 583 HG1 THR 71 HG1 THR 71 -7.458 -1.188 -7.902 584 HG21 THR 71 HG21 THR 71 -6.402 -2.287 -4.482 585 HG22 THR 71 HG22 THR 71 -8.050 -1.867 -4.015 586 HG23 THR 71 HG23 THR 71 -6.978 -0.627 -4.667 587 H GLU 72 HN GLU 72 -5.344 -2.976 -7.575 588 HA GLU 72 HA GLU 72 -3.785 -4.647 -5.733 589 HB2 GLU 72 HB2 GLU 72 -3.968 -6.003 -7.616 590 HB3 GLU 72 HB1 GLU 72 -4.003 -4.637 -8.719 591 HG2 GLU 72 HG2 GLU 72 -1.564 -4.301 -8.198 592 HG3 GLU 72 HG1 GLU 72 -1.618 -5.832 -7.322 593 H VAL 73 HN VAL 73 -2.423 -3.295 -4.690 594 HA VAL 73 HA VAL 73 -1.446 -0.947 -6.170 595 HB VAL 73 HB VAL 73 -1.641 -0.606 -3.281 596 HG11 VAL 73 HG11 VAL 73 -2.586 1.565 -3.982 597 HG12 VAL 73 HG12 VAL 73 -2.510 1.017 -5.657 598 HG13 VAL 73 HG13 VAL 73 -1.025 1.210 -4.723 599 HG21 VAL 73 HG21 VAL 73 -4.101 -1.110 -4.903 600 HG22 VAL 73 HG22 VAL 73 -4.126 -0.078 -3.470 601 HG23 VAL 73 HG23 VAL 73 -3.664 -1.783 -3.313 602 H GLU 74 HN GLU 74 0.737 -0.610 -6.112 603 HA GLU 74 HA GLU 74 2.506 -2.474 -4.943 604 HB2 GLU 74 HB2 GLU 74 2.891 0.258 -6.145 605 HB3 GLU 74 HB1 GLU 74 4.230 -0.671 -5.505 606 HG2 GLU 74 HG2 GLU 74 2.397 -1.691 -7.652 607 HG3 GLU 74 HG1 GLU 74 3.885 -0.809 -7.985 608 H ALA 75 HN ALA 75 3.613 -2.468 -3.057 609 HA ALA 75 HA ALA 75 2.979 -0.315 -1.153 610 HB1 ALA 75 HB1 ALA 75 1.961 -2.457 -0.579 611 HB2 ALA 75 HB2 ALA 75 3.142 -1.931 0.620 612 HB3 ALA 75 HB3 ALA 75 3.562 -3.193 -0.536 613 H TYR 76 HN TYR 76 4.900 0.434 -2.411 614 HA TYR 76 HA TYR 76 7.445 -0.056 -1.321 615 HB2 TYR 76 HB2 TYR 76 6.237 1.819 -3.164 616 HB3 TYR 76 HB1 TYR 76 7.545 2.527 -2.218 617 HD1 TYR 76 HD1 TYR 76 7.212 1.699 -5.294 618 HD2 TYR 76 HD2 TYR 76 9.281 0.073 -1.934 619 HE1 TYR 76 HE1 TYR 76 8.839 0.681 -6.803 620 HE2 TYR 76 HE2 TYR 76 10.912 -0.948 -3.452 621 HH TYR 76 HH TYR 76 11.206 -0.100 -6.697 622 H ARG 77 HN ARG 77 8.385 2.513 -0.711 623 HA ARG 77 HA ARG 77 8.393 1.853 2.054 624 HB2 ARG 77 HB2 ARG 77 9.904 4.068 0.691 625 HB3 ARG 77 HB1 ARG 77 10.384 3.156 2.109 626 HG2 ARG 77 HG2 ARG 77 11.702 2.097 0.629 627 HG3 ARG 77 HG1 ARG 77 10.241 1.163 0.314 628 HD2 ARG 77 HD2 ARG 77 9.728 2.480 -1.610 629 HD3 ARG 77 HD1 ARG 77 11.000 3.631 -1.228 630 HE ARG 77 HE ARG 77 11.984 0.967 -1.594 631 HH11 ARG 77 HH11 ARG 77 11.006 3.876 -3.288 632 HH12 ARG 77 HH12 ARG 77 11.990 3.549 -4.680 633 HH21 ARG 77 HH21 ARG 77 13.241 0.508 -3.444 634 HH22 ARG 77 HH22 ARG 77 13.264 1.630 -4.763 635 HA PRO 78 HA PRO 78 6.280 5.393 3.751 636 HB2 PRO 78 HB2 PRO 78 7.185 5.451 6.182 637 HB3 PRO 78 HB1 PRO 78 6.704 3.893 5.494 638 HG2 PRO 78 HG2 PRO 78 9.455 5.034 5.855 639 HG3 PRO 78 HG1 PRO 78 8.904 3.373 6.108 640 HD2 PRO 78 HD2 PRO 78 10.115 4.427 3.769 641 HD3 PRO 78 HD1 PRO 78 9.358 2.831 3.948 642 H ASP 79 HN ASP 79 9.549 6.266 3.256 643 HA ASP 79 HA ASP 79 9.268 8.780 4.742 644 HB2 ASP 79 HB2 ASP 79 11.569 7.081 4.119 645 HB3 ASP 79 HB1 ASP 79 11.867 8.801 4.331 646 H LEU 80 HN LEU 80 10.980 10.573 3.647 647 HA LEU 80 HA LEU 80 9.531 11.047 1.194 648 HB2 LEU 80 HB2 LEU 80 9.499 12.724 2.975 649 HB3 LEU 80 HB1 LEU 80 11.214 12.955 2.721 650 HG LEU 80 HG LEU 80 10.800 13.797 0.465 651 HD11 LEU 80 HD11 LEU 80 8.823 12.505 -0.088 652 HD12 LEU 80 HD12 LEU 80 8.500 14.227 -0.282 653 HD13 LEU 80 HD13 LEU 80 7.890 13.372 1.133 654 HD21 LEU 80 HD21 LEU 80 9.100 15.132 2.568 655 HD22 LEU 80 HD22 LEU 80 9.667 15.882 1.077 656 HD23 LEU 80 HD23 LEU 80 10.825 15.385 2.309 657 H LYS 81 HN LYS 81 12.842 11.455 2.132 658 HA LYS 81 HA LYS 81 13.512 12.069 -0.635 659 HB2 LYS 81 HB2 LYS 81 14.147 13.651 1.101 660 HB3 LYS 81 HB1 LYS 81 15.167 12.438 1.847 661 HG2 LYS 81 HG2 LYS 81 16.484 14.006 0.557 662 HG3 LYS 81 HG1 LYS 81 16.581 12.388 -0.133 663 HD2 LYS 81 HD2 LYS 81 16.347 13.882 -1.956 664 HD3 LYS 81 HD1 LYS 81 14.785 13.097 -1.758 665 HE2 LYS 81 HE2 LYS 81 15.385 15.767 -0.518 666 HE3 LYS 81 HE1 LYS 81 14.824 15.624 -2.180 667 HZ1 LYS 81 HZ1 LYS 81 12.878 14.377 -1.263 668 HZ2 LYS 81 HZ2 LYS 81 12.942 16.009 -0.840 669 HZ3 LYS 81 HZ3 LYS 81 13.383 14.833 0.287 670 H HIS 82 HN HIS 82 14.799 9.824 1.852 671 HA HIS 82 HA HIS 82 17.182 9.336 0.348 672 HB2 HIS 82 HB2 HIS 82 16.231 7.562 2.592 673 HB3 HIS 82 HB1 HIS 82 17.874 7.942 2.116 674 HD1 HIS 82 HD1 HIS 82 15.037 9.213 4.187 675 HD2 HIS 82 HD2 HIS 82 18.868 10.395 3.061 676 HE1 HIS 82 HE1 HIS 82 15.629 11.134 5.692 677 HE2 HIS 82 HE2 HIS 82 18.011 11.701 5.118 678 HA PRO 83 HA PRO 83 16.114 5.891 -2.238 679 HB2 PRO 83 HB2 PRO 83 18.550 4.449 -1.511 680 HB3 PRO 83 HB1 PRO 83 18.108 5.187 -3.048 681 HG2 PRO 83 HG2 PRO 83 20.049 6.190 -1.473 682 HG3 PRO 83 HG1 PRO 83 19.022 7.218 -2.486 683 HD2 PRO 83 HD2 PRO 83 18.860 6.681 0.453 684 HD3 PRO 83 HD1 PRO 83 18.643 8.208 -0.427 685 H LEU 84 HN LEU 84 14.622 4.411 -1.785 686 HA LEU 84 HA LEU 84 13.339 2.917 -0.690 687 HB2 LEU 84 HB2 LEU 84 15.940 1.807 0.294 688 HB3 LEU 84 HB1 LEU 84 14.380 1.084 0.628 689 HG LEU 84 HG LEU 84 14.054 0.786 -1.830 690 HD11 LEU 84 HD11 LEU 84 15.628 2.486 -2.602 691 HD12 LEU 84 HD12 LEU 84 15.982 0.902 -3.290 692 HD13 LEU 84 HD13 LEU 84 16.966 1.530 -1.969 693 HD21 LEU 84 HD21 LEU 84 16.446 -0.541 -0.565 694 HD22 LEU 84 HD22 LEU 84 15.577 -1.136 -1.978 695 HD23 LEU 84 HD23 LEU 84 14.764 -1.047 -0.416 696 H CYS 85 HN CYS 85 15.851 3.278 1.625 697 HA CYS 85 HA CYS 85 14.427 3.080 3.923 698 HB2 CYS 85 HB2 CYS 85 16.267 4.610 4.894 699 HB3 CYS 85 HB1 CYS 85 16.744 3.080 4.197 700 H GLY 86 HN GLY 86 15.164 5.866 2.207 701 HA2 GLY 86 HA2 GLY 86 13.293 7.474 3.773 702 HA3 GLY 86 HA1 GLY 86 14.571 8.123 2.781 703 H LYS 87 HN LYS 87 12.594 5.625 1.347 704 HA LYS 87 HA LYS 87 11.398 7.756 -0.304 705 HB2 LYS 87 HB2 LYS 87 12.216 4.950 -0.921 706 HB3 LYS 87 HB1 LYS 87 10.928 5.688 -1.863 707 HG2 LYS 87 HG2 LYS 87 13.806 6.536 -1.651 708 HG3 LYS 87 HG1 LYS 87 12.934 5.986 -3.080 709 HD2 LYS 87 HD2 LYS 87 12.405 8.565 -1.594 710 HD3 LYS 87 HD1 LYS 87 13.327 8.417 -3.085 711 HE2 LYS 87 HE2 LYS 87 10.458 7.542 -2.834 712 HE3 LYS 87 HE1 LYS 87 10.931 9.162 -3.338 713 HZ1 LYS 87 HZ1 LYS 87 12.154 8.171 -5.186 714 HZ2 LYS 87 HZ2 LYS 87 10.513 7.774 -5.245 715 HZ3 LYS 87 HZ3 LYS 87 11.641 6.631 -4.718 716 H ARG 88 HN ARG 88 9.180 6.734 -1.384 717 HA ARG 88 HA ARG 88 7.606 5.694 0.844 718 HB2 ARG 88 HB2 ARG 88 7.847 8.199 1.109 719 HB3 ARG 88 HB1 ARG 88 6.934 8.370 -0.381 720 HG2 ARG 88 HG2 ARG 88 5.024 7.267 0.641 721 HG3 ARG 88 HG1 ARG 88 5.942 7.040 2.132 722 HD2 ARG 88 HD2 ARG 88 5.079 9.643 0.885 723 HD3 ARG 88 HD1 ARG 88 4.540 8.956 2.417 724 HE ARG 88 HE ARG 88 7.370 9.374 2.327 725 HH11 ARG 88 HH11 ARG 88 4.291 10.929 2.938 726 HH12 ARG 88 HH12 ARG 88 4.979 12.176 3.934 727 HH21 ARG 88 HH21 ARG 88 8.274 11.012 3.646 728 HH22 ARG 88 HH22 ARG 88 7.238 12.211 4.348 729 H TYR 89 HN TYR 89 5.691 4.758 0.260 730 HA TYR 89 HA TYR 89 4.265 5.944 -1.933 731 HB2 TYR 89 HB2 TYR 89 5.342 3.233 -2.139 732 HB3 TYR 89 HB1 TYR 89 3.604 3.321 -2.414 733 HD1 TYR 89 HD1 TYR 89 3.004 5.572 -3.925 734 HD2 TYR 89 HD2 TYR 89 6.599 3.306 -4.060 735 HE1 TYR 89 HE1 TYR 89 3.419 6.381 -6.201 736 HE2 TYR 89 HE2 TYR 89 7.023 4.109 -6.345 737 HH TYR 89 HH TYR 89 5.332 6.709 -7.706 738 H GLU 90 HN GLU 90 2.539 6.600 -0.982 739 HA GLU 90 HA GLU 90 1.274 4.970 1.084 740 HB2 GLU 90 HB2 GLU 90 1.490 7.166 1.880 741 HB3 GLU 90 HB1 GLU 90 1.073 7.869 0.331 742 HG2 GLU 90 HG2 GLU 90 -1.241 7.077 0.605 743 HG3 GLU 90 HG1 GLU 90 -0.801 6.425 2.186 744 H LEU 91 HN LEU 91 -0.461 3.861 0.674 745 HA LEU 91 HA LEU 91 -2.023 4.594 -1.687 746 HB2 LEU 91 HB2 LEU 91 -2.738 1.988 -1.134 747 HB3 LEU 91 HB1 LEU 91 -1.697 2.509 -2.432 748 HG LEU 91 HG LEU 91 -0.670 1.669 0.284 749 HD11 LEU 91 HD11 LEU 91 -0.288 -0.464 -0.510 750 HD12 LEU 91 HD12 LEU 91 -0.391 0.036 -2.193 751 HD13 LEU 91 HD13 LEU 91 -1.860 -0.092 -1.222 752 HD21 LEU 91 HD21 LEU 91 0.747 2.067 -2.349 753 HD22 LEU 91 HD22 LEU 91 1.483 1.489 -0.855 754 HD23 LEU 91 HD23 LEU 91 0.852 3.134 -0.950 755 H SER 92 HN SER 92 -3.985 5.227 -1.303 756 HA SER 92 HA SER 92 -5.156 4.512 1.289 757 HB2 SER 92 HB2 SER 92 -5.482 7.172 -0.038 758 HB3 SER 92 HB1 SER 92 -5.937 6.734 1.599 759 HG SER 92 HG SER 92 -3.265 6.408 0.913 760 H ALA 93 HN ALA 93 -7.011 3.665 1.237 761 HA ALA 93 HA ALA 93 -8.523 3.685 -1.230 762 HB1 ALA 93 HB1 ALA 93 -9.471 2.285 1.175 763 HB2 ALA 93 HB2 ALA 93 -8.011 1.703 0.378 764 HB3 ALA 93 HB3 ALA 93 -9.525 1.815 -0.535 765 H ARG 94 HN ARG 94 -9.517 5.452 -1.459 766 HA ARG 94 HA ARG 94 -10.841 6.677 0.906 767 HB2 ARG 94 HB2 ARG 94 -9.605 8.181 -1.416 768 HB3 ARG 94 HB1 ARG 94 -10.270 8.862 0.059 769 HG2 ARG 94 HG2 ARG 94 -8.442 7.783 1.328 770 HG3 ARG 94 HG1 ARG 94 -7.760 7.226 -0.200 771 HD2 ARG 94 HD2 ARG 94 -6.637 9.252 0.504 772 HD3 ARG 94 HD1 ARG 94 -7.579 9.563 -0.952 773 HE ARG 94 HE ARG 94 -8.522 10.304 1.746 774 HH11 ARG 94 HH11 ARG 94 -7.970 11.108 -1.619 775 HH12 ARG 94 HH12 ARG 94 -8.743 12.653 -1.510 776 HH21 ARG 94 HH21 ARG 94 -9.500 12.359 1.896 777 HH22 ARG 94 HH22 ARG 94 -9.616 13.365 0.486 778 H MET 95 HN MET 95 -12.371 7.958 0.654 779 HA MET 95 HA MET 95 -14.672 7.604 -0.204 780 HB2 MET 95 HB2 MET 95 -13.616 10.232 -1.184 781 HB3 MET 95 HB1 MET 95 -15.073 9.900 -0.261 782 HG2 MET 95 HG2 MET 95 -13.779 9.528 1.740 783 HG3 MET 95 HG1 MET 95 -12.258 9.697 0.860 784 HE1 MET 95 HE1 MET 95 -12.885 11.268 3.513 785 HE2 MET 95 HE2 MET 95 -12.321 12.887 3.103 786 HE3 MET 95 HE3 MET 95 -11.394 11.476 2.593 787 H ASP 96 HN ASP 96 -12.413 9.013 -2.571 788 HA ASP 96 HA ASP 96 -14.233 8.544 -4.774 789 HB2 ASP 96 HB2 ASP 96 -11.382 9.535 -4.923 790 HB3 ASP 96 HB1 ASP 96 -12.654 9.745 -6.120 791 H ALA 97 HN ALA 97 -10.776 7.817 -4.404 792 HA ALA 97 HA ALA 97 -11.168 5.182 -5.611 793 HB1 ALA 97 HB1 ALA 97 -9.086 5.716 -7.071 794 HB2 ALA 97 HB2 ALA 97 -9.503 7.412 -6.746 795 HB3 ALA 97 HB3 ALA 97 -10.661 6.371 -7.570 796 H ILE 98 HN ILE 98 -8.672 4.404 -5.938 797 HA ILE 98 HA ILE 98 -7.487 4.472 -3.289 798 HB ILE 98 HB ILE 98 -6.909 2.807 -5.751 799 HG12 ILE 98 HG12 ILE 98 -8.906 2.515 -4.051 800 HG13 ILE 98 HG11 ILE 98 -8.017 1.099 -4.598 801 HG21 ILE 98 HG21 ILE 98 -5.497 2.652 -3.053 802 HG22 ILE 98 HG22 ILE 98 -4.794 3.374 -4.504 803 HG23 ILE 98 HG23 ILE 98 -5.182 1.654 -4.476 804 HD11 ILE 98 HD11 ILE 98 -8.488 1.194 -2.180 805 HD12 ILE 98 HD12 ILE 98 -7.461 2.632 -2.088 806 HD13 ILE 98 HD13 ILE 98 -6.772 1.075 -2.567 807 H TYR 99 HN TYR 99 -6.151 5.967 -2.843 808 HA TYR 99 HA TYR 99 -4.940 7.545 -4.962 809 HB2 TYR 99 HB2 TYR 99 -5.309 7.943 -2.000 810 HB3 TYR 99 HB1 TYR 99 -4.247 8.981 -2.938 811 HD1 TYR 99 HD1 TYR 99 -7.737 7.651 -3.041 812 HD2 TYR 99 HD2 TYR 99 -5.145 10.926 -3.829 813 HE1 TYR 99 HE1 TYR 99 -9.674 9.026 -3.668 814 HE2 TYR 99 HE2 TYR 99 -7.075 12.313 -4.457 815 HH TYR 99 HH TYR 99 -9.398 12.007 -5.265 816 H PHE 100 HN PHE 100 -2.825 7.597 -5.417 817 HA PHE 100 HA PHE 100 -1.016 5.902 -3.835 818 HB2 PHE 100 HB2 PHE 100 -2.088 4.612 -5.696 819 HB3 PHE 100 HB1 PHE 100 -1.379 5.751 -6.831 820 HD1 PHE 100 HD1 PHE 100 0.588 5.177 -7.844 821 HD2 PHE 100 HD2 PHE 100 -0.340 3.477 -4.059 822 HE1 PHE 100 HE1 PHE 100 2.594 3.764 -7.994 823 HE2 PHE 100 HE2 PHE 100 1.667 2.064 -4.199 824 HZ PHE 100 HZ PHE 100 3.137 2.206 -6.169 825 H LYS 101 HN LYS 101 0.670 7.214 -3.321 826 HA LYS 101 HA LYS 101 1.897 8.830 -5.413 827 HB2 LYS 101 HB2 LYS 101 1.804 10.904 -4.136 828 HB3 LYS 101 HB1 LYS 101 0.179 10.318 -4.471 829 HG2 LYS 101 HG2 LYS 101 -0.267 9.882 -2.290 830 HG3 LYS 101 HG1 LYS 101 1.407 9.480 -1.913 831 HD2 LYS 101 HD2 LYS 101 2.007 11.829 -1.925 832 HD3 LYS 101 HD1 LYS 101 0.367 12.272 -2.402 833 HE2 LYS 101 HE2 LYS 101 -0.507 11.417 -0.315 834 HE3 LYS 101 HE1 LYS 101 1.092 10.843 0.152 835 HZ1 LYS 101 HZ1 LYS 101 0.484 13.700 -0.363 836 HZ2 LYS 101 HZ2 LYS 101 1.864 13.049 0.364 837 HZ3 LYS 101 HZ3 LYS 101 0.381 12.991 1.171 838 H MET 102 HN MET 102 4.056 9.290 -5.064 839 HA MET 102 HA MET 102 4.947 9.191 -2.256 840 HB2 MET 102 HB2 MET 102 7.258 8.745 -3.128 841 HB3 MET 102 HB1 MET 102 6.134 7.417 -3.363 842 HG2 MET 102 HG2 MET 102 5.880 7.997 -5.694 843 HG3 MET 102 HG1 MET 102 6.912 9.410 -5.479 844 HE1 MET 102 HE1 MET 102 8.394 8.582 -7.558 845 HE2 MET 102 HE2 MET 102 7.328 7.188 -7.726 846 HE3 MET 102 HE3 MET 102 9.075 6.959 -7.670 847 H ASP 103 HN ASP 103 4.190 11.344 -2.205 848 HA ASP 103 HA ASP 103 5.966 13.253 -3.541 849 HB2 ASP 103 HB2 ASP 103 3.479 12.961 -4.386 850 HB3 ASP 103 HB1 ASP 103 3.140 14.019 -3.023 851 H GLU 104 HN GLU 104 5.247 15.538 -2.487 852 HA GLU 104 HA GLU 104 5.081 15.207 0.411 853 HB2 GLU 104 HB2 GLU 104 6.253 17.401 0.496 854 HB3 GLU 104 HB1 GLU 104 7.228 16.092 -0.143 855 HG2 GLU 104 HG2 GLU 104 6.538 16.923 -2.431 856 HG3 GLU 104 HG1 GLU 104 5.949 18.366 -1.612 857 H ARG 105 HN ARG 105 3.528 16.025 -2.333 858 HA ARG 105 HA ARG 105 1.750 18.017 -1.113 859 HB2 ARG 105 HB2 ARG 105 2.169 17.086 -3.957 860 HB3 ARG 105 HB1 ARG 105 0.861 18.155 -3.495 861 HG2 ARG 105 HG2 ARG 105 2.488 19.809 -2.722 862 HG3 ARG 105 HG1 ARG 105 3.797 18.729 -3.211 863 HD2 ARG 105 HD2 ARG 105 3.386 20.430 -4.909 864 HD3 ARG 105 HD1 ARG 105 3.011 18.820 -5.521 865 HE ARG 105 HE ARG 105 0.874 20.565 -4.497 866 HH11 ARG 105 HH11 ARG 105 2.276 18.682 -7.098 867 HH12 ARG 105 HH12 ARG 105 0.905 18.877 -8.142 868 HH21 ARG 105 HH21 ARG 105 -0.921 20.822 -5.874 869 HH22 ARG 105 HH22 ARG 105 -0.914 20.081 -7.445 870 HA PRO 106 HA PRO 106 -1.937 15.383 -0.820 871 HB2 PRO 106 HB2 PRO 106 -2.874 16.685 -3.355 872 HB3 PRO 106 HB1 PRO 106 -3.780 16.329 -1.878 873 HG2 PRO 106 HG2 PRO 106 -2.918 18.786 -2.331 874 HG3 PRO 106 HG1 PRO 106 -2.806 18.088 -0.704 875 HD2 PRO 106 HD2 PRO 106 -0.671 18.569 -2.711 876 HD3 PRO 106 HD1 PRO 106 -0.582 18.611 -0.942 877 HA PRO 107 HA PRO 107 -1.146 11.997 -3.553 878 HB2 PRO 107 HB2 PRO 107 -3.188 10.404 -2.924 879 HB3 PRO 107 HB1 PRO 107 -1.925 10.774 -1.749 880 HG2 PRO 107 HG2 PRO 107 -4.662 11.960 -2.020 881 HG3 PRO 107 HG1 PRO 107 -3.816 11.430 -0.556 882 HD2 PRO 107 HD2 PRO 107 -3.945 14.035 -1.367 883 HD3 PRO 107 HD1 PRO 107 -2.612 13.372 -0.401 884 H GLN 108 HN GLN 108 -2.458 10.464 -5.095 885 HA GLN 108 HA GLN 108 -4.410 12.056 -6.605 886 HB2 GLN 108 HB2 GLN 108 -3.366 11.337 -8.706 887 HB3 GLN 108 HB1 GLN 108 -2.270 12.323 -7.733 888 HG2 GLN 108 HG2 GLN 108 -1.253 10.180 -6.902 889 HG3 GLN 108 HG1 GLN 108 -2.218 9.340 -8.112 890 HE21 GLN 108 HE21 GLN 108 0.644 9.461 -7.857 891 HE22 GLN 108 HE22 GLN 108 1.248 10.151 -9.326 892 HA PRO 109 HA PRO 109 -6.712 8.200 -6.832 893 HB2 PRO 109 HB2 PRO 109 -7.731 9.456 -9.311 894 HB3 PRO 109 HB1 PRO 109 -8.639 8.841 -7.923 895 HG2 PRO 109 HG2 PRO 109 -8.421 11.452 -8.343 896 HG3 PRO 109 HG1 PRO 109 -8.306 10.795 -6.698 897 HD2 PRO 109 HD2 PRO 109 -6.113 11.689 -8.537 898 HD3 PRO 109 HD1 PRO 109 -6.312 11.982 -6.795 899 H LEU 110 HN LEU 110 -5.427 6.507 -7.551 900 HA LEU 110 HA LEU 110 -4.744 6.581 -10.402 901 HB2 LEU 110 HB2 LEU 110 -2.837 6.987 -8.691 902 HB3 LEU 110 HB1 LEU 110 -2.943 5.259 -8.417 903 HG LEU 110 HG LEU 110 -2.516 4.886 -10.837 904 HD11 LEU 110 HD11 LEU 110 -2.064 7.865 -10.848 905 HD12 LEU 110 HD12 LEU 110 -3.308 6.982 -11.733 906 HD13 LEU 110 HD13 LEU 110 -1.608 6.767 -12.148 907 HD21 LEU 110 HD21 LEU 110 -0.687 4.717 -9.285 908 HD22 LEU 110 HD22 LEU 110 -0.454 6.465 -9.313 909 HD23 LEU 110 HD23 LEU 110 -0.124 5.509 -10.757 910 H ASN 111 HN ASN 111 -6.298 4.951 -7.954 911 HA ASN 111 HA ASN 111 -6.620 2.562 -9.570 912 HB2 ASN 111 HB2 ASN 111 -5.065 2.616 -7.035 913 HB3 ASN 111 HB1 ASN 111 -6.281 1.349 -7.129 914 HD21 ASN 111 HD21 ASN 111 -4.911 -0.332 -7.249 915 HD22 ASN 111 HD22 ASN 111 -3.837 -0.629 -8.572 916 H LYS 112 HN LYS 112 -8.374 1.182 -8.261 917 HA LYS 112 HA LYS 112 -9.800 2.912 -6.412 918 HB2 LYS 112 HB2 LYS 112 -10.757 3.197 -8.744 919 HB3 LYS 112 HB1 LYS 112 -11.325 1.557 -8.572 920 HG2 LYS 112 HG2 LYS 112 -12.538 2.264 -6.526 921 HG3 LYS 112 HG1 LYS 112 -12.093 3.924 -6.913 922 HD2 LYS 112 HD2 LYS 112 -13.693 2.093 -8.702 923 HD3 LYS 112 HD1 LYS 112 -14.378 3.333 -7.658 924 HE2 LYS 112 HE2 LYS 112 -14.304 4.413 -9.695 925 HE3 LYS 112 HE1 LYS 112 -12.794 4.935 -8.955 926 HZ1 LYS 112 HZ1 LYS 112 -11.630 3.242 -10.229 927 HZ2 LYS 112 HZ2 LYS 112 -12.480 4.276 -11.256 928 HZ3 LYS 112 HZ3 LYS 112 -13.081 2.733 -10.928 929 H TRP 113 HN TRP 113 -11.072 1.864 -5.039 930 HA TRP 113 HA TRP 113 -10.345 -0.854 -4.554 931 HB2 TRP 113 HB2 TRP 113 -11.986 -0.521 -2.606 932 HB3 TRP 113 HB1 TRP 113 -10.425 0.290 -2.562 933 HD1 TRP 113 HD1 TRP 113 -10.463 2.990 -3.094 934 HE1 TRP 113 HE1 TRP 113 -12.314 4.747 -2.762 935 HE3 TRP 113 HE3 TRP 113 -14.462 -0.148 -2.531 936 HZ2 TRP 113 HZ2 TRP 113 -15.091 4.788 -2.311 937 HZ3 TRP 113 HZ3 TRP 113 -16.682 0.836 -2.146 938 HH2 TRP 113 HH2 TRP 113 -16.989 3.253 -2.037 939 H ARG 114 HN ARG 114 -11.233 -2.213 -5.755 940 HA ARG 114 HA ARG 114 -12.670 -3.628 -6.639 941 HB2 ARG 114 HB2 ARG 114 -14.656 -4.221 -5.219 942 HB3 ARG 114 HB1 ARG 114 -13.049 -4.365 -4.542 943 HG2 ARG 114 HG2 ARG 114 -13.965 -3.380 -2.755 944 HG3 ARG 114 HG1 ARG 114 -13.755 -1.893 -3.674 945 HD2 ARG 114 HD2 ARG 114 -16.248 -3.512 -4.002 946 HD3 ARG 114 HD1 ARG 114 -16.064 -2.463 -2.601 947 HE ARG 114 HE ARG 114 -15.512 -1.110 -5.063 948 HH11 ARG 114 HH11 ARG 114 -18.096 -2.231 -2.987 949 HH12 ARG 114 HH12 ARG 114 -19.187 -0.961 -3.430 950 HH21 ARG 114 HH21 ARG 114 -16.961 0.557 -5.675 951 HH22 ARG 114 HH22 ARG 114 -18.545 0.613 -4.979 952 H SER 115 HN SER 115 -14.199 -4.069 -7.901 953 HA SER 115 HA SER 115 -15.483 -3.667 -9.711 954 HB2 SER 115 HB2 SER 115 -17.747 -2.767 -9.146 955 HB3 SER 115 HB1 SER 115 -17.211 -4.085 -8.116 956 HG SER 115 HG SER 115 -16.547 -1.575 -7.205 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 21.591 -5.560 -5.478 2 H2 ALA 1 HT2 ALA 1 20.984 -4.005 -5.729 3 H3 ALA 1 HT3 ALA 1 20.490 -5.277 -6.729 4 HA ALA 1 HA ALA 1 19.929 -5.028 -3.832 5 HB1 ALA 1 HB1 ALA 1 18.657 -3.407 -5.121 6 HB2 ALA 1 HB2 ALA 1 17.590 -4.701 -4.558 7 HB3 ALA 1 HB3 ALA 1 18.135 -4.677 -6.235 8 H MET 2 HN MET 2 18.624 -6.734 -2.949 9 HA MET 2 HA MET 2 17.983 -9.029 -4.584 10 HB2 MET 2 HB2 MET 2 20.393 -9.362 -3.985 11 HB3 MET 2 HB1 MET 2 19.909 -9.424 -2.296 12 HG2 MET 2 HG2 MET 2 20.191 -11.656 -3.164 13 HG3 MET 2 HG1 MET 2 18.497 -11.366 -2.775 14 HE1 MET 2 HE1 MET 2 20.468 -10.036 -5.928 15 HE2 MET 2 HE2 MET 2 20.191 -11.350 -7.070 16 HE3 MET 2 HE3 MET 2 21.164 -11.627 -5.627 17 H GLY 3 HN GLY 3 18.536 -8.423 -1.081 18 HA2 GLY 3 HA2 GLY 3 16.039 -9.706 -0.404 19 HA3 GLY 3 HA1 GLY 3 17.179 -8.979 0.711 20 H CYS 4 HN CYS 4 16.317 -7.357 1.838 21 HA CYS 4 HA CYS 4 14.497 -5.593 0.396 22 HB2 CYS 4 HB2 CYS 4 13.434 -7.457 1.941 23 HB3 CYS 4 HB1 CYS 4 13.780 -6.274 3.199 24 H LYS 5 HN LYS 5 13.871 -3.668 1.980 25 HA LYS 5 HA LYS 5 16.373 -2.581 3.036 26 HB2 LYS 5 HB2 LYS 5 15.319 -1.915 0.652 27 HB3 LYS 5 HB1 LYS 5 14.709 -0.679 1.724 28 HG2 LYS 5 HG2 LYS 5 17.617 -1.359 1.659 29 HG3 LYS 5 HG1 LYS 5 16.918 -0.205 0.535 30 HD2 LYS 5 HD2 LYS 5 16.045 1.057 2.516 31 HD3 LYS 5 HD1 LYS 5 17.003 -0.021 3.533 32 HE2 LYS 5 HE2 LYS 5 19.037 0.693 2.429 33 HE3 LYS 5 HE1 LYS 5 18.110 1.703 1.320 34 HZ1 LYS 5 HZ1 LYS 5 18.256 2.074 4.260 35 HZ2 LYS 5 HZ2 LYS 5 17.408 3.061 3.182 36 HZ3 LYS 5 HZ3 LYS 5 19.098 2.987 3.119 37 H GLU 6 HN GLU 6 16.165 -1.013 4.679 38 HA GLU 6 HA GLU 6 13.903 -0.899 6.273 39 HB2 GLU 6 HB2 GLU 6 16.382 -0.132 6.586 40 HB3 GLU 6 HB1 GLU 6 15.770 1.409 6.003 41 HG2 GLU 6 HG2 GLU 6 14.555 -0.061 8.298 42 HG3 GLU 6 HG1 GLU 6 15.880 1.078 8.495 43 H ILE 7 HN ILE 7 12.107 -0.594 5.219 44 HA ILE 7 HA ILE 7 11.434 2.041 4.178 45 HB ILE 7 HB ILE 7 10.787 -0.457 2.588 46 HG12 ILE 7 HG12 ILE 7 13.226 0.247 2.490 47 HG13 ILE 7 HG11 ILE 7 12.381 -0.000 0.982 48 HG21 ILE 7 HG21 ILE 7 10.292 1.274 0.832 49 HG22 ILE 7 HG22 ILE 7 10.336 2.444 2.146 50 HG23 ILE 7 HG23 ILE 7 9.129 1.140 2.161 51 HD11 ILE 7 HD11 ILE 7 13.849 2.034 1.268 52 HD12 ILE 7 HD12 ILE 7 12.513 2.653 2.267 53 HD13 ILE 7 HD13 ILE 7 12.234 2.230 0.580 54 H GLU 8 HN GLU 8 8.814 1.908 3.819 55 HA GLU 8 HA GLU 8 7.636 -0.096 5.568 56 HB2 GLU 8 HB2 GLU 8 8.598 1.311 7.238 57 HB3 GLU 8 HB1 GLU 8 7.959 2.760 6.470 58 HG2 GLU 8 HG2 GLU 8 5.708 2.036 6.990 59 HG3 GLU 8 HG1 GLU 8 6.354 0.591 7.768 60 H ILE 9 HN ILE 9 5.522 -0.455 4.990 61 HA ILE 9 HA ILE 9 4.362 1.328 2.975 62 HB ILE 9 HB ILE 9 2.578 -0.729 3.167 63 HG12 ILE 9 HG12 ILE 9 4.533 -1.905 4.507 64 HG13 ILE 9 HG11 ILE 9 3.445 -2.769 3.448 65 HG21 ILE 9 HG21 ILE 9 3.438 -1.483 1.046 66 HG22 ILE 9 HG22 ILE 9 4.867 -0.489 1.303 67 HG23 ILE 9 HG23 ILE 9 3.282 0.272 1.138 68 HD11 ILE 9 HD11 ILE 9 5.675 -3.428 3.012 69 HD12 ILE 9 HD12 ILE 9 6.162 -1.733 2.796 70 HD13 ILE 9 HD13 ILE 9 5.040 -2.495 1.654 71 H VAL 10 HN VAL 10 2.417 2.463 3.209 72 HA VAL 10 HA VAL 10 0.795 1.521 5.489 73 HB VAL 10 HB VAL 10 1.312 3.489 6.463 74 HG11 VAL 10 HG11 VAL 10 1.906 5.549 5.407 75 HG12 VAL 10 HG12 VAL 10 1.396 4.948 3.835 76 HG13 VAL 10 HG13 VAL 10 2.801 4.241 4.634 77 HG21 VAL 10 HG21 VAL 10 -0.982 4.255 4.639 78 HG22 VAL 10 HG22 VAL 10 -0.481 5.178 6.055 79 HG23 VAL 10 HG23 VAL 10 -1.089 3.537 6.249 80 H ILE 11 HN ILE 11 -1.190 1.035 5.099 81 HA ILE 11 HA ILE 11 -2.434 1.890 2.596 82 HB ILE 11 HB ILE 11 -2.582 -0.725 4.067 83 HG12 ILE 11 HG12 ILE 11 -0.820 -0.676 2.475 84 HG13 ILE 11 HG11 ILE 11 -2.120 -1.666 1.810 85 HG21 ILE 11 HG21 ILE 11 -4.830 -0.234 3.675 86 HG22 ILE 11 HG22 ILE 11 -4.349 -1.400 2.442 87 HG23 ILE 11 HG23 ILE 11 -4.506 0.310 2.031 88 HD11 ILE 11 HD11 ILE 11 -1.711 -0.413 -0.006 89 HD12 ILE 11 HD12 ILE 11 -1.076 0.933 0.958 90 HD13 ILE 11 HD13 ILE 11 -2.816 0.684 0.828 91 H LYS 12 HN LYS 12 -4.054 3.237 2.987 92 HA LYS 12 HA LYS 12 -5.435 3.160 5.575 93 HB2 LYS 12 HB2 LYS 12 -4.126 5.213 4.465 94 HB3 LYS 12 HB1 LYS 12 -5.705 5.432 3.655 95 HG2 LYS 12 HG2 LYS 12 -6.812 5.623 5.779 96 HG3 LYS 12 HG1 LYS 12 -5.290 5.292 6.610 97 HD2 LYS 12 HD2 LYS 12 -4.309 7.313 5.678 98 HD3 LYS 12 HD1 LYS 12 -5.788 7.630 4.774 99 HE2 LYS 12 HE2 LYS 12 -7.011 7.956 6.827 100 HE3 LYS 12 HE1 LYS 12 -5.590 7.523 7.778 101 HZ1 LYS 12 HZ1 LYS 12 -4.457 9.460 6.955 102 HZ2 LYS 12 HZ2 LYS 12 -5.936 9.935 7.618 103 HZ3 LYS 12 HZ3 LYS 12 -5.751 9.850 5.941 104 H ASN 13 HN ASN 13 -7.842 3.805 5.373 105 HA ASN 13 HA ASN 13 -8.999 3.587 2.723 106 HB2 ASN 13 HB2 ASN 13 -8.986 1.242 3.514 107 HB3 ASN 13 HB1 ASN 13 -9.905 1.735 4.936 108 HD21 ASN 13 HD21 ASN 13 -12.059 2.160 4.749 109 HD22 ASN 13 HD22 ASN 13 -12.956 1.800 3.313 110 H THR 14 HN THR 14 -10.800 4.946 2.545 111 HA THR 14 HA THR 14 -12.244 5.831 4.804 112 HB THR 14 HB THR 14 -10.402 6.837 5.720 113 HG1 THR 14 HG1 THR 14 -11.506 8.885 4.063 114 HG21 THR 14 HG21 THR 14 -8.778 6.551 4.111 115 HG22 THR 14 HG22 THR 14 -8.949 8.312 4.181 116 HG23 THR 14 HG23 THR 14 -9.733 7.392 2.889 117 H LEU 15 HN LEU 15 -14.122 5.871 3.266 118 HA LEU 15 HA LEU 15 -14.171 8.390 1.930 119 HB2 LEU 15 HB2 LEU 15 -16.469 6.564 2.576 120 HB3 LEU 15 HB1 LEU 15 -16.613 8.072 1.752 121 HG LEU 15 HG LEU 15 -15.208 7.257 -0.038 122 HD11 LEU 15 HD11 LEU 15 -15.131 4.874 1.687 123 HD12 LEU 15 HD12 LEU 15 -13.834 5.779 0.894 124 HD13 LEU 15 HD13 LEU 15 -14.922 4.758 -0.071 125 HD21 LEU 15 HD21 LEU 15 -17.663 7.058 -0.182 126 HD22 LEU 15 HD22 LEU 15 -17.544 5.451 0.535 127 HD23 LEU 15 HD23 LEU 15 -16.830 5.767 -1.045 128 H GLY 16 HN GLY 16 -15.251 6.849 4.813 129 HA2 GLY 16 HA2 GLY 16 -15.061 8.975 6.555 130 HA3 GLY 16 HA1 GLY 16 -16.736 8.930 5.988 131 HA PRO 17 HA PRO 17 -16.348 6.436 9.921 132 HB2 PRO 17 HB2 PRO 17 -19.298 6.703 9.488 133 HB3 PRO 17 HB1 PRO 17 -18.367 6.805 10.987 134 HG2 PRO 17 HG2 PRO 17 -19.225 9.014 9.797 135 HG3 PRO 17 HG1 PRO 17 -17.609 8.952 10.528 136 HD2 PRO 17 HD2 PRO 17 -18.394 8.894 7.658 137 HD3 PRO 17 HD1 PRO 17 -16.940 9.567 8.419 138 H SER 18 HN SER 18 -16.054 4.346 9.891 139 HA SER 18 HA SER 18 -16.177 2.139 9.518 140 HB2 SER 18 HB2 SER 18 -18.393 1.100 9.360 141 HB3 SER 18 HB1 SER 18 -18.345 2.339 10.607 142 HG SER 18 HG SER 18 -19.127 3.597 8.472 143 H ARG 19 HN ARG 19 -15.584 3.856 7.181 144 HA ARG 19 HA ARG 19 -16.271 1.981 5.055 145 HB2 ARG 19 HB2 ARG 19 -14.698 4.539 5.158 146 HB3 ARG 19 HB1 ARG 19 -14.358 3.402 3.873 147 HG2 ARG 19 HG2 ARG 19 -15.883 5.154 3.222 148 HG3 ARG 19 HG1 ARG 19 -16.607 3.559 3.069 149 HD2 ARG 19 HD2 ARG 19 -17.051 5.225 5.518 150 HD3 ARG 19 HD1 ARG 19 -17.986 5.517 4.056 151 HE ARG 19 HE ARG 19 -17.969 2.790 5.074 152 HH11 ARG 19 HH11 ARG 19 -19.629 5.858 4.806 153 HH12 ARG 19 HH12 ARG 19 -21.176 5.205 5.235 154 HH21 ARG 19 HH21 ARG 19 -20.006 1.920 5.638 155 HH22 ARG 19 HH22 ARG 19 -21.392 2.960 5.708 156 H ILE 20 HN ILE 20 -15.240 0.067 5.014 157 HA ILE 20 HA ILE 20 -12.448 -0.034 5.923 158 HB ILE 20 HB ILE 20 -14.455 -2.098 6.798 159 HG12 ILE 20 HG12 ILE 20 -14.031 0.606 7.790 160 HG13 ILE 20 HG11 ILE 20 -15.328 -0.527 8.114 161 HG21 ILE 20 HG21 ILE 20 -12.146 -2.828 6.816 162 HG22 ILE 20 HG22 ILE 20 -12.744 -2.623 8.466 163 HG23 ILE 20 HG23 ILE 20 -11.691 -1.405 7.755 164 HD11 ILE 20 HD11 ILE 20 -14.118 0.195 10.110 165 HD12 ILE 20 HD12 ILE 20 -12.663 -0.582 9.462 166 HD13 ILE 20 HD13 ILE 20 -14.084 -1.554 9.852 167 H LEU 21 HN LEU 21 -11.267 -0.917 4.380 168 HA LEU 21 HA LEU 21 -12.413 -3.063 2.719 169 HB2 LEU 21 HB2 LEU 21 -10.224 -1.071 2.186 170 HB3 LEU 21 HB1 LEU 21 -10.311 -2.583 1.268 171 HG LEU 21 HG LEU 21 -12.318 -0.326 1.321 172 HD11 LEU 21 HD11 LEU 21 -10.626 -1.560 -0.841 173 HD12 LEU 21 HD12 LEU 21 -10.420 0.033 -0.114 174 HD13 LEU 21 HD13 LEU 21 -11.844 -0.310 -1.093 175 HD21 LEU 21 HD21 LEU 21 -13.595 -2.359 1.341 176 HD22 LEU 21 HD22 LEU 21 -12.562 -3.068 0.100 177 HD23 LEU 21 HD23 LEU 21 -13.605 -1.702 -0.294 178 H GLN 22 HN GLN 22 -10.917 -4.804 2.127 179 HA GLN 22 HA GLN 22 -8.977 -5.330 4.254 180 HB2 GLN 22 HB2 GLN 22 -10.920 -6.839 4.225 181 HB3 GLN 22 HB1 GLN 22 -10.584 -7.240 2.547 182 HG2 GLN 22 HG2 GLN 22 -8.432 -8.144 3.229 183 HG3 GLN 22 HG1 GLN 22 -8.845 -7.842 4.916 184 HE21 GLN 22 HE21 GLN 22 -8.853 -9.977 5.544 185 HE22 GLN 22 HE22 GLN 22 -10.030 -11.120 4.997 186 H TYR 23 HN TYR 23 -6.931 -5.163 3.555 187 HA TYR 23 HA TYR 23 -6.430 -5.326 0.657 188 HB2 TYR 23 HB2 TYR 23 -4.777 -3.673 0.851 189 HB3 TYR 23 HB1 TYR 23 -6.016 -3.140 1.982 190 HD1 TYR 23 HD1 TYR 23 -5.732 -3.879 4.444 191 HD2 TYR 23 HD2 TYR 23 -2.612 -3.907 1.579 192 HE1 TYR 23 HE1 TYR 23 -4.074 -3.848 6.268 193 HE2 TYR 23 HE2 TYR 23 -0.937 -3.881 3.373 194 HH TYR 23 HH TYR 23 -1.670 -4.538 6.581 195 H HIS 24 HN HIS 24 -4.356 -6.344 0.028 196 HA HIS 24 HA HIS 24 -3.151 -8.013 2.127 197 HB2 HIS 24 HB2 HIS 24 -4.861 -9.356 0.933 198 HB3 HIS 24 HB1 HIS 24 -4.041 -9.026 -0.586 199 HD1 HIS 24 HD1 HIS 24 -1.449 -9.614 1.804 200 HD2 HIS 24 HD2 HIS 24 -4.074 -12.025 -0.341 201 HE1 HIS 24 HE1 HIS 24 -0.465 -11.930 1.883 202 HE2 HIS 24 HE2 HIS 24 -2.181 -13.398 0.769 203 H CYS 25 HN CYS 25 -1.266 -6.751 2.078 204 HA CYS 25 HA CYS 25 0.188 -6.620 -0.411 205 HB2 CYS 25 HB2 CYS 25 0.048 -4.834 1.546 206 HB3 CYS 25 HB1 CYS 25 1.449 -5.737 2.119 207 H ARG 26 HN ARG 26 1.502 -8.097 -1.105 208 HA ARG 26 HA ARG 26 3.242 -9.550 0.578 209 HB2 ARG 26 HB2 ARG 26 1.593 -10.973 1.229 210 HB3 ARG 26 HB1 ARG 26 0.755 -10.947 -0.313 211 HG2 ARG 26 HG2 ARG 26 3.471 -12.170 -0.137 212 HG3 ARG 26 HG1 ARG 26 2.091 -13.060 0.505 213 HD2 ARG 26 HD2 ARG 26 1.020 -13.094 -1.615 214 HD3 ARG 26 HD1 ARG 26 2.154 -11.921 -2.280 215 HE ARG 26 HE ARG 26 3.024 -14.614 -1.458 216 HH11 ARG 26 HH11 ARG 26 2.797 -12.073 -3.865 217 HH12 ARG 26 HH12 ARG 26 3.840 -12.876 -4.995 218 HH21 ARG 26 HH21 ARG 26 4.379 -15.674 -2.956 219 HH22 ARG 26 HH22 ARG 26 4.745 -14.921 -4.475 220 H SER 27 HN SER 27 4.939 -9.628 -0.509 221 HA SER 27 HA SER 27 5.287 -11.244 -2.724 222 HB2 SER 27 HB2 SER 27 5.066 -8.338 -3.462 223 HB3 SER 27 HB1 SER 27 6.209 -9.367 -4.318 224 HG SER 27 HG SER 27 3.433 -9.894 -4.015 225 H GLY 28 HN GLY 28 7.615 -11.082 -3.545 226 HA2 GLY 28 HA2 GLY 28 9.823 -10.343 -3.273 227 HA3 GLY 28 HA1 GLY 28 9.344 -9.475 -1.808 228 H ASN 29 HN ASN 29 8.355 -11.270 -0.148 229 HA ASN 29 HA ASN 29 9.526 -13.802 -0.023 230 HB2 ASN 29 HB2 ASN 29 11.659 -12.556 0.062 231 HB3 ASN 29 HB1 ASN 29 11.098 -11.711 1.499 232 HD21 ASN 29 HD21 ASN 29 12.195 -14.739 0.200 233 HD22 ASN 29 HD22 ASN 29 12.527 -15.500 1.716 234 H THR 30 HN THR 30 8.278 -11.008 1.674 235 HA THR 30 HA THR 30 7.713 -12.671 4.023 236 HB THR 30 HB THR 30 7.197 -9.853 4.411 237 HG1 THR 30 HG1 THR 30 9.872 -10.542 3.688 238 HG21 THR 30 HG21 THR 30 9.245 -11.734 5.592 239 HG22 THR 30 HG22 THR 30 7.607 -11.486 6.198 240 HG23 THR 30 HG23 THR 30 8.777 -10.164 6.248 241 H ASN 31 HN ASN 31 5.678 -13.018 4.729 242 HA ASN 31 HA ASN 31 3.499 -11.867 3.115 243 HB2 ASN 31 HB2 ASN 31 3.766 -14.599 4.367 244 HB3 ASN 31 HB1 ASN 31 2.232 -13.972 3.783 245 HD21 ASN 31 HD21 ASN 31 1.997 -15.530 2.230 246 HD22 ASN 31 HD22 ASN 31 2.984 -15.603 0.813 247 H VAL 32 HN VAL 32 3.215 -10.119 4.532 248 HA VAL 32 HA VAL 32 1.533 -10.831 6.837 249 HB VAL 32 HB VAL 32 3.367 -8.424 6.885 250 HG11 VAL 32 HG11 VAL 32 1.407 -8.273 8.301 251 HG12 VAL 32 HG12 VAL 32 2.863 -8.425 9.283 252 HG13 VAL 32 HG13 VAL 32 1.806 -9.817 9.053 253 HG21 VAL 32 HG21 VAL 32 4.799 -10.384 6.857 254 HG22 VAL 32 HG22 VAL 32 3.865 -11.109 8.165 255 HG23 VAL 32 HG23 VAL 32 4.806 -9.646 8.458 256 H GLY 33 HN GLY 33 -0.093 -10.534 5.116 257 HA2 GLY 33 HA2 GLY 33 -0.117 -7.816 3.982 258 HA3 GLY 33 HA1 GLY 33 -0.583 -9.250 3.109 259 H VAL 34 HN VAL 34 -2.326 -10.365 5.155 260 HA VAL 34 HA VAL 34 -4.554 -8.816 4.156 261 HB VAL 34 HB VAL 34 -4.735 -11.367 5.740 262 HG11 VAL 34 HG11 VAL 34 -6.914 -11.499 4.470 263 HG12 VAL 34 HG12 VAL 34 -6.633 -9.820 3.984 264 HG13 VAL 34 HG13 VAL 34 -6.813 -10.230 5.691 265 HG21 VAL 34 HG21 VAL 34 -4.590 -10.988 2.752 266 HG22 VAL 34 HG22 VAL 34 -4.920 -12.509 3.584 267 HG23 VAL 34 HG23 VAL 34 -3.349 -11.728 3.763 268 H GLN 35 HN GLN 35 -5.011 -7.092 5.288 269 HA GLN 35 HA GLN 35 -6.231 -7.499 7.880 270 HB2 GLN 35 HB2 GLN 35 -3.892 -5.700 7.371 271 HB3 GLN 35 HB1 GLN 35 -5.123 -5.200 8.528 272 HG2 GLN 35 HG2 GLN 35 -4.813 -7.343 9.698 273 HG3 GLN 35 HG1 GLN 35 -3.488 -7.720 8.607 274 HE21 GLN 35 HE21 GLN 35 -3.547 -7.352 11.524 275 HE22 GLN 35 HE22 GLN 35 -2.377 -6.126 11.863 276 H TYR 36 HN TYR 36 -7.438 -5.453 8.503 277 HA TYR 36 HA TYR 36 -8.644 -4.387 6.063 278 HB2 TYR 36 HB2 TYR 36 -10.667 -3.983 7.344 279 HB3 TYR 36 HB1 TYR 36 -10.224 -5.684 7.318 280 HD1 TYR 36 HD1 TYR 36 -9.248 -6.710 9.266 281 HD2 TYR 36 HD2 TYR 36 -10.647 -2.739 9.305 282 HE1 TYR 36 HE1 TYR 36 -9.304 -6.781 11.739 283 HE2 TYR 36 HE2 TYR 36 -10.723 -2.749 11.764 284 HH TYR 36 HH TYR 36 -10.906 -4.463 13.590 285 H LEU 37 HN LEU 37 -9.452 -2.195 6.125 286 HA LEU 37 HA LEU 37 -7.749 -0.511 7.840 287 HB2 LEU 37 HB2 LEU 37 -8.778 0.257 5.124 288 HB3 LEU 37 HB1 LEU 37 -7.581 1.098 6.076 289 HG LEU 37 HG LEU 37 -6.378 0.157 4.374 290 HD11 LEU 37 HD11 LEU 37 -5.319 -0.294 6.471 291 HD12 LEU 37 HD12 LEU 37 -5.022 -1.630 5.360 292 HD13 LEU 37 HD13 LEU 37 -6.221 -1.798 6.643 293 HD21 LEU 37 HD21 LEU 37 -6.595 -2.136 3.571 294 HD22 LEU 37 HD22 LEU 37 -8.107 -1.242 3.419 295 HD23 LEU 37 HD23 LEU 37 -7.902 -2.412 4.722 296 H ASN 38 HN ASN 38 -8.993 0.469 9.311 297 HA ASN 38 HA ASN 38 -11.763 1.036 8.744 298 HB2 ASN 38 HB2 ASN 38 -11.833 2.029 10.988 299 HB3 ASN 38 HB1 ASN 38 -11.172 0.411 11.019 300 HD21 ASN 38 HD21 ASN 38 -8.948 0.131 11.446 301 HD22 ASN 38 HD22 ASN 38 -8.012 1.389 12.178 302 H PHE 39 HN PHE 39 -12.567 3.247 9.267 303 HA PHE 39 HA PHE 39 -11.447 5.022 7.376 304 HB2 PHE 39 HB2 PHE 39 -13.714 5.337 7.628 305 HB3 PHE 39 HB1 PHE 39 -13.623 5.248 9.379 306 HD1 PHE 39 HD1 PHE 39 -12.510 7.380 6.554 307 HD2 PHE 39 HD2 PHE 39 -13.801 7.231 10.623 308 HE1 PHE 39 HE1 PHE 39 -12.520 9.836 6.639 309 HE2 PHE 39 HE2 PHE 39 -13.808 9.688 10.696 310 HZ PHE 39 HZ PHE 39 -13.203 10.988 8.809 311 H LYS 40 HN LYS 40 -9.815 6.320 7.516 312 HA LYS 40 HA LYS 40 -8.313 7.850 8.271 313 HB2 LYS 40 HB2 LYS 40 -10.160 8.710 9.743 314 HB3 LYS 40 HB1 LYS 40 -9.547 7.635 10.994 315 HG2 LYS 40 HG2 LYS 40 -7.412 8.792 10.974 316 HG3 LYS 40 HG1 LYS 40 -7.989 9.854 9.692 317 HD2 LYS 40 HD2 LYS 40 -9.201 9.637 12.442 318 HD3 LYS 40 HD1 LYS 40 -8.085 10.901 11.924 319 HE2 LYS 40 HE2 LYS 40 -9.706 11.535 10.156 320 HE3 LYS 40 HE1 LYS 40 -10.832 10.346 10.811 321 HZ1 LYS 40 HZ1 LYS 40 -11.298 12.569 11.629 322 HZ2 LYS 40 HZ2 LYS 40 -9.745 12.679 12.285 323 HZ3 LYS 40 HZ3 LYS 40 -10.843 11.547 12.897 324 H GLY 41 HN GLY 41 -8.848 4.839 9.767 325 HA2 GLY 41 HA2 GLY 41 -6.411 4.846 11.302 326 HA3 GLY 41 HA1 GLY 41 -7.537 3.513 11.121 327 H THR 42 HN THR 42 -4.590 4.768 10.251 328 HA THR 42 HA THR 42 -4.235 3.418 7.746 329 HB THR 42 HB THR 42 -1.738 3.925 8.446 330 HG1 THR 42 HG1 THR 42 -1.645 5.684 9.874 331 HG21 THR 42 HG21 THR 42 -1.990 6.158 7.473 332 HG22 THR 42 HG22 THR 42 -3.736 6.051 7.685 333 HG23 THR 42 HG23 THR 42 -2.911 4.946 6.580 334 H ARG 43 HN ARG 43 -3.061 1.569 7.363 335 HA ARG 43 HA ARG 43 -2.470 -0.082 9.719 336 HB2 ARG 43 HB2 ARG 43 -4.433 -0.764 8.200 337 HB3 ARG 43 HB1 ARG 43 -3.191 -1.181 7.035 338 HG2 ARG 43 HG2 ARG 43 -3.687 -3.187 8.109 339 HG3 ARG 43 HG1 ARG 43 -2.197 -2.640 8.877 340 HD2 ARG 43 HD2 ARG 43 -4.963 -2.176 9.987 341 HD3 ARG 43 HD1 ARG 43 -3.907 -3.499 10.474 342 HE ARG 43 HE ARG 43 -2.318 -1.673 11.183 343 HH11 ARG 43 HH11 ARG 43 -5.780 -1.164 11.112 344 HH12 ARG 43 HH12 ARG 43 -5.753 0.037 12.359 345 HH21 ARG 43 HH21 ARG 43 -2.281 -0.092 12.821 346 HH22 ARG 43 HH22 ARG 43 -3.765 0.650 13.329 347 H ILE 44 HN ILE 44 -0.326 -0.208 9.927 348 HA ILE 44 HA ILE 44 1.196 0.317 7.484 349 HB ILE 44 HB ILE 44 1.988 1.059 10.295 350 HG12 ILE 44 HG12 ILE 44 1.752 3.370 8.966 351 HG13 ILE 44 HG11 ILE 44 0.538 2.437 8.110 352 HG21 ILE 44 HG21 ILE 44 3.823 0.550 8.653 353 HG22 ILE 44 HG22 ILE 44 3.818 2.201 9.287 354 HG23 ILE 44 HG23 ILE 44 3.186 1.878 7.672 355 HD11 ILE 44 HD11 ILE 44 -0.412 3.747 9.949 356 HD12 ILE 44 HD12 ILE 44 0.606 2.866 11.088 357 HD13 ILE 44 HD13 ILE 44 -0.641 2.015 10.177 358 H ILE 45 HN ILE 45 2.394 -1.123 6.771 359 HA ILE 45 HA ILE 45 3.474 -3.261 8.388 360 HB ILE 45 HB ILE 45 3.483 -2.772 5.498 361 HG12 ILE 45 HG12 ILE 45 1.912 -4.707 7.045 362 HG13 ILE 45 HG11 ILE 45 1.344 -3.115 6.607 363 HG21 ILE 45 HG21 ILE 45 4.352 -5.157 7.064 364 HG22 ILE 45 HG22 ILE 45 5.338 -4.163 5.987 365 HG23 ILE 45 HG23 ILE 45 4.052 -5.174 5.329 366 HD11 ILE 45 HD11 ILE 45 0.525 -4.429 4.903 367 HD12 ILE 45 HD12 ILE 45 2.005 -5.387 4.833 368 HD13 ILE 45 HD13 ILE 45 2.011 -3.715 4.254 369 H LYS 46 HN LYS 46 5.706 -3.651 8.469 370 HA LYS 46 HA LYS 46 7.423 -1.973 6.883 371 HB2 LYS 46 HB2 LYS 46 8.600 -0.853 8.601 372 HB3 LYS 46 HB1 LYS 46 6.899 -0.631 8.977 373 HG2 LYS 46 HG2 LYS 46 7.008 -2.326 10.685 374 HG3 LYS 46 HG1 LYS 46 8.688 -2.675 10.269 375 HD2 LYS 46 HD2 LYS 46 9.325 -0.411 10.899 376 HD3 LYS 46 HD1 LYS 46 7.645 -0.034 11.277 377 HE2 LYS 46 HE2 LYS 46 7.658 -1.742 13.026 378 HE3 LYS 46 HE1 LYS 46 9.339 -2.116 12.647 379 HZ1 LYS 46 HZ1 LYS 46 8.330 0.499 13.627 380 HZ2 LYS 46 HZ2 LYS 46 9.942 0.134 13.268 381 HZ3 LYS 46 HZ3 LYS 46 9.167 -0.645 14.551 382 H PHE 47 HN PHE 47 9.618 -2.547 6.965 383 HA PHE 47 HA PHE 47 10.675 -4.666 8.539 384 HB2 PHE 47 HB2 PHE 47 9.882 -5.329 5.707 385 HB3 PHE 47 HB1 PHE 47 11.305 -6.073 6.419 386 HD1 PHE 47 HD1 PHE 47 8.336 -7.041 5.480 387 HD2 PHE 47 HD2 PHE 47 10.417 -6.558 9.173 388 HE1 PHE 47 HE1 PHE 47 6.877 -8.713 6.538 389 HE2 PHE 47 HE2 PHE 47 8.971 -8.243 10.214 390 HZ PHE 47 HZ PHE 47 7.194 -9.322 8.896 391 H LYS 48 HN LYS 48 13.023 -5.049 7.886 392 HA LYS 48 HA LYS 48 13.927 -2.476 6.828 393 HB2 LYS 48 HB2 LYS 48 15.613 -2.322 8.464 394 HB3 LYS 48 HB1 LYS 48 14.114 -2.708 9.285 395 HG2 LYS 48 HG2 LYS 48 14.838 -5.105 9.318 396 HG3 LYS 48 HG1 LYS 48 16.404 -4.572 8.710 397 HD2 LYS 48 HD2 LYS 48 15.114 -3.665 11.284 398 HD3 LYS 48 HD1 LYS 48 16.408 -4.853 11.151 399 HE2 LYS 48 HE2 LYS 48 16.585 -1.958 10.312 400 HE3 LYS 48 HE1 LYS 48 17.241 -2.634 11.801 401 HZ1 LYS 48 HZ1 LYS 48 18.128 -3.127 9.019 402 HZ2 LYS 48 HZ2 LYS 48 18.562 -4.158 10.291 403 HZ3 LYS 48 HZ3 LYS 48 19.027 -2.536 10.325 404 H ASP 49 HN ASP 49 16.618 -2.844 6.946 405 HA ASP 49 HA ASP 49 16.896 -3.839 4.295 406 HB2 ASP 49 HB2 ASP 49 19.218 -2.937 4.558 407 HB3 ASP 49 HB1 ASP 49 17.947 -1.769 4.914 408 H ASP 50 HN ASP 50 18.740 -5.103 3.588 409 HA ASP 50 HA ASP 50 20.171 -6.672 5.505 410 HB2 ASP 50 HB2 ASP 50 19.722 -8.853 4.404 411 HB3 ASP 50 HB1 ASP 50 18.323 -8.184 5.230 412 H GLY 51 HN GLY 51 20.759 -4.594 3.726 413 HA2 GLY 51 HA2 GLY 51 22.677 -4.063 2.563 414 HA3 GLY 51 HA1 GLY 51 23.097 -5.769 2.531 415 H THR 52 HN THR 52 20.227 -6.127 1.552 416 HA THR 52 HA THR 52 20.602 -5.224 -1.237 417 HB THR 52 HB THR 52 19.773 -7.427 -2.004 418 HG1 THR 52 HG1 THR 52 19.734 -7.948 0.625 419 HG21 THR 52 HG21 THR 52 21.994 -8.431 -2.012 420 HG22 THR 52 HG22 THR 52 22.497 -7.298 -0.755 421 HG23 THR 52 HG23 THR 52 22.040 -6.702 -2.350 422 H GLU 53 HN GLU 53 18.631 -5.026 -2.485 423 HA GLU 53 HA GLU 53 16.234 -4.890 -0.802 424 HB2 GLU 53 HB2 GLU 53 17.009 -2.717 -2.700 425 HB3 GLU 53 HB1 GLU 53 15.999 -2.649 -1.279 426 HG2 GLU 53 HG2 GLU 53 17.806 -1.615 -0.428 427 HG3 GLU 53 HG1 GLU 53 18.269 -3.277 -0.085 428 H ARG 54 HN ARG 54 16.541 -6.855 -2.965 429 HA ARG 54 HA ARG 54 15.152 -5.639 -5.240 430 HB2 ARG 54 HB2 ARG 54 17.047 -7.101 -5.717 431 HB3 ARG 54 HB1 ARG 54 16.217 -8.441 -4.939 432 HG2 ARG 54 HG2 ARG 54 14.462 -8.340 -6.644 433 HG3 ARG 54 HG1 ARG 54 15.320 -7.015 -7.435 434 HD2 ARG 54 HD2 ARG 54 17.218 -8.454 -7.855 435 HD3 ARG 54 HD1 ARG 54 16.452 -9.773 -6.973 436 HE ARG 54 HE ARG 54 14.676 -9.103 -8.953 437 HH11 ARG 54 HH11 ARG 54 18.027 -10.123 -8.862 438 HH12 ARG 54 HH12 ARG 54 17.942 -10.969 -10.374 439 HH21 ARG 54 HH21 ARG 54 14.566 -10.213 -10.953 440 HH22 ARG 54 HH22 ARG 54 15.976 -11.015 -11.563 441 H SER 55 HN SER 55 14.275 -7.671 -2.546 442 HA SER 55 HA SER 55 12.485 -9.424 -3.763 443 HB2 SER 55 HB2 SER 55 12.356 -8.349 -0.949 444 HB3 SER 55 HB1 SER 55 11.639 -9.856 -1.522 445 HG SER 55 HG SER 55 14.247 -9.783 -2.165 446 H ARG 56 HN ARG 56 10.987 -7.372 -1.384 447 HA ARG 56 HA ARG 56 9.554 -5.665 -1.483 448 HB2 ARG 56 HB2 ARG 56 10.197 -4.274 -3.095 449 HB3 ARG 56 HB1 ARG 56 10.888 -5.631 -3.976 450 HG2 ARG 56 HG2 ARG 56 8.538 -6.015 -4.890 451 HG3 ARG 56 HG1 ARG 56 8.160 -4.406 -4.266 452 HD2 ARG 56 HD2 ARG 56 8.823 -4.363 -6.634 453 HD3 ARG 56 HD1 ARG 56 9.926 -3.440 -5.614 454 HE ARG 56 HE ARG 56 11.018 -5.959 -5.787 455 HH11 ARG 56 HH11 ARG 56 10.141 -3.439 -8.047 456 HH12 ARG 56 HH12 ARG 56 11.341 -3.886 -9.215 457 HH21 ARG 56 HH21 ARG 56 12.613 -6.535 -7.298 458 HH22 ARG 56 HH22 ARG 56 12.750 -5.651 -8.786 459 H TRP 57 HN TRP 57 7.318 -5.148 -1.772 460 HA TRP 57 HA TRP 57 5.841 -7.653 -2.098 461 HB2 TRP 57 HB2 TRP 57 4.923 -5.216 -0.562 462 HB3 TRP 57 HB1 TRP 57 4.160 -6.771 -0.610 463 HD1 TRP 57 HD1 TRP 57 7.950 -6.735 -0.070 464 HE1 TRP 57 HE1 TRP 57 8.434 -7.476 2.362 465 HE3 TRP 57 HE3 TRP 57 3.184 -6.710 1.751 466 HZ2 TRP 57 HZ2 TRP 57 6.975 -7.966 4.707 467 HZ3 TRP 57 HZ3 TRP 57 2.814 -7.323 4.102 468 HH2 TRP 57 HH2 TRP 57 4.678 -7.937 5.549 469 H ASN 58 HN ASN 58 3.533 -7.455 -2.730 470 HA ASN 58 HA ASN 58 2.749 -5.005 -4.163 471 HB2 ASN 58 HB2 ASN 58 2.443 -7.858 -5.152 472 HB3 ASN 58 HB1 ASN 58 1.475 -6.529 -5.775 473 HD21 ASN 58 HD21 ASN 58 2.400 -5.039 -7.128 474 HD22 ASN 58 HD22 ASN 58 3.956 -5.267 -7.846 475 H CYS 59 HN CYS 59 0.550 -4.425 -3.605 476 HA CYS 59 HA CYS 59 -0.720 -6.377 -1.810 477 HB2 CYS 59 HB2 CYS 59 -1.682 -3.669 -1.377 478 HB3 CYS 59 HB1 CYS 59 -1.077 -4.842 -0.233 479 H LEU 60 HN LEU 60 -2.968 -6.555 -1.720 480 HA LEU 60 HA LEU 60 -4.263 -5.963 -4.279 481 HB2 LEU 60 HB2 LEU 60 -3.147 -8.187 -4.304 482 HB3 LEU 60 HB1 LEU 60 -4.080 -8.650 -2.898 483 HG LEU 60 HG LEU 60 -6.149 -8.414 -4.266 484 HD11 LEU 60 HD11 LEU 60 -4.258 -8.238 -6.595 485 HD12 LEU 60 HD12 LEU 60 -5.174 -6.874 -5.955 486 HD13 LEU 60 HD13 LEU 60 -6.019 -8.259 -6.648 487 HD21 LEU 60 HD21 LEU 60 -5.109 -10.581 -3.881 488 HD22 LEU 60 HD22 LEU 60 -4.079 -10.345 -5.292 489 HD23 LEU 60 HD23 LEU 60 -5.824 -10.498 -5.491 490 H PHE 61 HN PHE 61 -6.235 -5.169 -3.935 491 HA PHE 61 HA PHE 61 -7.201 -5.114 -1.169 492 HB2 PHE 61 HB2 PHE 61 -7.611 -3.376 -3.581 493 HB3 PHE 61 HB1 PHE 61 -8.649 -3.214 -2.184 494 HD1 PHE 61 HD1 PHE 61 -5.112 -3.027 -3.263 495 HD2 PHE 61 HD2 PHE 61 -8.009 -1.972 -0.327 496 HE1 PHE 61 HE1 PHE 61 -3.527 -1.465 -2.246 497 HE2 PHE 61 HE2 PHE 61 -6.448 -0.401 0.634 498 HZ PHE 61 HZ PHE 61 -4.182 -0.157 -0.282 499 H ARG 62 HN ARG 62 -9.024 -6.220 -0.600 500 HA ARG 62 HA ARG 62 -10.922 -6.928 -2.770 501 HB2 ARG 62 HB2 ARG 62 -11.429 -8.992 -1.483 502 HB3 ARG 62 HB1 ARG 62 -9.774 -8.936 -2.067 503 HG2 ARG 62 HG2 ARG 62 -9.037 -8.240 0.179 504 HG3 ARG 62 HG1 ARG 62 -10.703 -8.386 0.744 505 HD2 ARG 62 HD2 ARG 62 -9.046 -10.614 -0.433 506 HD3 ARG 62 HD1 ARG 62 -9.363 -10.374 1.284 507 HE ARG 62 HE ARG 62 -11.841 -10.531 0.351 508 HH11 ARG 62 HH11 ARG 62 -9.042 -12.491 -0.390 509 HH12 ARG 62 HH12 ARG 62 -9.962 -13.931 -0.686 510 HH21 ARG 62 HH21 ARG 62 -13.069 -12.423 -0.023 511 HH22 ARG 62 HH22 ARG 62 -12.262 -13.890 -0.477 512 H GLN 63 HN GLN 63 -13.125 -7.618 -1.667 513 HA GLN 63 HA GLN 63 -13.675 -6.390 0.884 514 HB2 GLN 63 HB2 GLN 63 -13.977 -4.480 -0.640 515 HB3 GLN 63 HB1 GLN 63 -15.137 -5.415 -1.572 516 HG2 GLN 63 HG2 GLN 63 -16.343 -3.921 -0.167 517 HG3 GLN 63 HG1 GLN 63 -16.567 -5.555 0.452 518 HE21 GLN 63 HE21 GLN 63 -16.857 -2.993 1.800 519 HE22 GLN 63 HE22 GLN 63 -15.777 -3.026 3.147 520 H GLY 64 HN GLY 64 -15.311 -7.638 -2.008 521 HA2 GLY 64 HA2 GLY 64 -15.906 -10.051 -1.735 522 HA3 GLY 64 HA1 GLY 64 -16.685 -9.569 -0.236 523 H ILE 65 HN ILE 65 -17.044 -10.304 -3.365 524 HA ILE 65 HA ILE 65 -19.700 -10.216 -3.712 525 HB ILE 65 HB ILE 65 -19.570 -7.795 -3.323 526 HG12 ILE 65 HG12 ILE 65 -20.822 -7.074 -5.350 527 HG13 ILE 65 HG11 ILE 65 -20.329 -8.559 -6.156 528 HG21 ILE 65 HG21 ILE 65 -17.284 -7.711 -4.316 529 HG22 ILE 65 HG22 ILE 65 -18.355 -6.358 -4.719 530 HG23 ILE 65 HG23 ILE 65 -18.061 -7.633 -5.905 531 HD11 ILE 65 HD11 ILE 65 -22.044 -8.389 -3.689 532 HD12 ILE 65 HD12 ILE 65 -21.574 -9.869 -4.527 533 HD13 ILE 65 HD13 ILE 65 -22.614 -8.693 -5.329 534 H ASN 66 HN ASN 66 -20.103 -11.225 -5.814 535 HA ASN 66 HA ASN 66 -17.828 -10.816 -7.646 536 HB2 ASN 66 HB2 ASN 66 -19.870 -13.045 -7.578 537 HB3 ASN 66 HB1 ASN 66 -18.709 -12.820 -8.881 538 HD21 ASN 66 HD21 ASN 66 -19.166 -13.748 -5.577 539 HD22 ASN 66 HD22 ASN 66 -17.597 -14.436 -5.342 540 H MET 67 HN MET 67 -19.311 -8.677 -7.663 541 HA MET 67 HA MET 67 -20.278 -8.871 -10.422 542 HB2 MET 67 HB2 MET 67 -20.095 -6.490 -8.548 543 HB3 MET 67 HB1 MET 67 -20.643 -6.408 -10.217 544 HG2 MET 67 HG2 MET 67 -21.967 -7.924 -7.979 545 HG3 MET 67 HG1 MET 67 -22.520 -6.409 -8.690 546 HE1 MET 67 HE1 MET 67 -23.460 -6.164 -11.126 547 HE2 MET 67 HE2 MET 67 -23.579 -7.489 -12.283 548 HE3 MET 67 HE3 MET 67 -21.996 -6.876 -11.806 549 H LYS 68 HN LYS 68 -17.800 -8.061 -8.276 550 HA LYS 68 HA LYS 68 -15.721 -7.539 -10.182 551 HB2 LYS 68 HB2 LYS 68 -16.930 -5.364 -8.458 552 HB3 LYS 68 HB1 LYS 68 -15.320 -5.241 -9.168 553 HG2 LYS 68 HG2 LYS 68 -16.239 -5.270 -11.400 554 HG3 LYS 68 HG1 LYS 68 -17.862 -5.539 -10.760 555 HD2 LYS 68 HD2 LYS 68 -16.183 -3.113 -10.132 556 HD3 LYS 68 HD1 LYS 68 -17.383 -3.173 -11.424 557 HE2 LYS 68 HE2 LYS 68 -19.138 -3.615 -9.827 558 HE3 LYS 68 HE1 LYS 68 -17.966 -3.707 -8.516 559 HZ1 LYS 68 HZ1 LYS 68 -18.611 -1.296 -10.118 560 HZ2 LYS 68 HZ2 LYS 68 -17.424 -1.371 -8.920 561 HZ3 LYS 68 HZ3 LYS 68 -19.050 -1.579 -8.511 562 H PHE 69 HN PHE 69 -13.644 -7.390 -8.976 563 HA PHE 69 HA PHE 69 -13.671 -7.110 -6.147 564 HB2 PHE 69 HB2 PHE 69 -12.676 -9.377 -5.643 565 HB3 PHE 69 HB1 PHE 69 -14.391 -9.363 -6.019 566 HD1 PHE 69 HD1 PHE 69 -11.046 -10.102 -7.412 567 HD2 PHE 69 HD2 PHE 69 -15.246 -10.661 -7.788 568 HE1 PHE 69 HE1 PHE 69 -10.664 -11.798 -9.150 569 HE2 PHE 69 HE2 PHE 69 -14.870 -12.360 -9.524 570 HZ PHE 69 HZ PHE 69 -12.606 -12.977 -10.170 571 H PHE 70 HN PHE 70 -11.728 -6.558 -5.336 572 HA PHE 70 HA PHE 70 -9.500 -6.635 -4.944 573 HB2 PHE 70 HB2 PHE 70 -9.765 -8.585 -7.060 574 HB3 PHE 70 HB1 PHE 70 -8.164 -7.909 -6.885 575 HD1 PHE 70 HD1 PHE 70 -7.924 -7.567 -3.992 576 HD2 PHE 70 HD2 PHE 70 -9.705 -10.691 -6.240 577 HE1 PHE 70 HE1 PHE 70 -7.535 -9.110 -2.149 578 HE2 PHE 70 HE2 PHE 70 -9.332 -12.226 -4.436 579 HZ PHE 70 HZ PHE 70 -8.123 -11.339 -2.264 580 H THR 71 HN THR 71 -7.723 -5.527 -5.375 581 HA THR 71 HA THR 71 -7.116 -4.482 -7.980 582 HB THR 71 HB THR 71 -8.662 -2.767 -6.602 583 HG1 THR 71 HG1 THR 71 -8.059 -1.382 -8.171 584 HG21 THR 71 HG21 THR 71 -6.849 -0.888 -6.025 585 HG22 THR 71 HG22 THR 71 -5.865 -2.310 -5.638 586 HG23 THR 71 HG23 THR 71 -7.391 -2.042 -4.792 587 H GLU 72 HN GLU 72 -4.948 -4.490 -8.245 588 HA GLU 72 HA GLU 72 -3.448 -4.830 -5.754 589 HB2 GLU 72 HB2 GLU 72 -3.340 -6.756 -7.282 590 HB3 GLU 72 HB1 GLU 72 -2.663 -5.722 -8.529 591 HG2 GLU 72 HG2 GLU 72 -0.659 -5.412 -7.328 592 HG3 GLU 72 HG1 GLU 72 -1.358 -6.072 -5.851 593 H VAL 73 HN VAL 73 -2.529 -3.058 -5.120 594 HA VAL 73 HA VAL 73 -1.268 -1.277 -7.068 595 HB VAL 73 HB VAL 73 -1.085 -0.787 -4.141 596 HG11 VAL 73 HG11 VAL 73 0.097 0.703 -5.578 597 HG12 VAL 73 HG12 VAL 73 -1.292 1.572 -4.924 598 HG13 VAL 73 HG13 VAL 73 -1.334 0.961 -6.575 599 HG21 VAL 73 HG21 VAL 73 -3.465 -1.375 -4.576 600 HG22 VAL 73 HG22 VAL 73 -3.535 -0.012 -5.696 601 HG23 VAL 73 HG23 VAL 73 -3.204 0.269 -3.978 602 H GLU 74 HN GLU 74 0.908 -1.323 -7.334 603 HA GLU 74 HA GLU 74 2.538 -3.310 -6.210 604 HB2 GLU 74 HB2 GLU 74 3.478 -0.609 -7.190 605 HB3 GLU 74 HB1 GLU 74 4.358 -2.124 -7.210 606 HG2 GLU 74 HG2 GLU 74 2.999 -2.990 -8.952 607 HG3 GLU 74 HG1 GLU 74 1.876 -1.636 -8.822 608 H ALA 75 HN ALA 75 3.480 -3.423 -4.265 609 HA ALA 75 HA ALA 75 2.916 -1.575 -2.226 610 HB1 ALA 75 HB1 ALA 75 3.476 -3.784 -1.518 611 HB2 ALA 75 HB2 ALA 75 4.785 -2.714 -0.984 612 HB3 ALA 75 HB3 ALA 75 5.003 -3.733 -2.404 613 H TYR 76 HN TYR 76 5.673 -2.165 -4.326 614 HA TYR 76 HA TYR 76 6.198 0.595 -4.512 615 HB2 TYR 76 HB2 TYR 76 6.972 -0.060 -2.117 616 HB3 TYR 76 HB1 TYR 76 8.360 -0.762 -2.948 617 HD1 TYR 76 HD1 TYR 76 6.625 2.332 -4.015 618 HD2 TYR 76 HD2 TYR 76 10.071 0.708 -2.123 619 HE1 TYR 76 HE1 TYR 76 7.708 4.521 -4.109 620 HE2 TYR 76 HE2 TYR 76 11.153 2.893 -2.211 621 HH TYR 76 HH TYR 76 11.044 4.963 -3.440 622 H ARG 77 HN ARG 77 6.604 0.470 -6.640 623 HA ARG 77 HA ARG 77 9.146 -0.828 -7.340 624 HB2 ARG 77 HB2 ARG 77 6.689 -0.740 -9.098 625 HB3 ARG 77 HB1 ARG 77 8.276 -1.289 -9.610 626 HG2 ARG 77 HG2 ARG 77 7.933 -2.908 -7.523 627 HG3 ARG 77 HG1 ARG 77 6.243 -2.637 -7.949 628 HD2 ARG 77 HD2 ARG 77 8.434 -3.747 -9.686 629 HD3 ARG 77 HD1 ARG 77 6.970 -4.558 -9.148 630 HE ARG 77 HE ARG 77 5.975 -2.491 -10.550 631 HH11 ARG 77 HH11 ARG 77 8.389 -4.917 -11.285 632 HH12 ARG 77 HH12 ARG 77 8.137 -4.835 -12.998 633 HH21 ARG 77 HH21 ARG 77 5.647 -2.371 -12.808 634 HH22 ARG 77 HH22 ARG 77 6.569 -3.391 -13.867 635 HA PRO 78 HA PRO 78 9.440 3.471 -8.783 636 HB2 PRO 78 HB2 PRO 78 11.695 4.136 -7.500 637 HB3 PRO 78 HB1 PRO 78 10.133 4.132 -6.673 638 HG2 PRO 78 HG2 PRO 78 12.379 2.209 -6.483 639 HG3 PRO 78 HG1 PRO 78 11.166 2.650 -5.270 640 HD2 PRO 78 HD2 PRO 78 11.169 0.358 -6.955 641 HD3 PRO 78 HD1 PRO 78 9.883 0.881 -5.851 642 H ASP 79 HN ASP 79 11.904 4.469 -9.430 643 HA ASP 79 HA ASP 79 12.643 2.958 -11.688 644 HB2 ASP 79 HB2 ASP 79 12.964 5.304 -11.798 645 HB3 ASP 79 HB1 ASP 79 13.961 5.292 -10.352 646 H LEU 80 HN LEU 80 14.373 1.650 -12.119 647 HA LEU 80 HA LEU 80 15.081 0.051 -9.883 648 HB2 LEU 80 HB2 LEU 80 16.296 -1.329 -11.625 649 HB3 LEU 80 HB1 LEU 80 14.564 -1.158 -11.806 650 HG LEU 80 HG LEU 80 15.085 0.711 -13.479 651 HD11 LEU 80 HD11 LEU 80 17.246 0.610 -14.579 652 HD12 LEU 80 HD12 LEU 80 17.792 -0.615 -13.434 653 HD13 LEU 80 HD13 LEU 80 17.439 1.021 -12.875 654 HD21 LEU 80 HD21 LEU 80 15.869 -2.124 -14.128 655 HD22 LEU 80 HD22 LEU 80 15.403 -0.885 -15.294 656 HD23 LEU 80 HD23 LEU 80 14.230 -1.475 -14.118 657 H LYS 81 HN LYS 81 16.500 2.783 -10.933 658 HA LYS 81 HA LYS 81 19.228 1.929 -10.365 659 HB2 LYS 81 HB2 LYS 81 18.097 4.617 -11.138 660 HB3 LYS 81 HB1 LYS 81 19.796 4.333 -10.780 661 HG2 LYS 81 HG2 LYS 81 19.867 2.682 -12.610 662 HG3 LYS 81 HG1 LYS 81 18.196 3.087 -13.000 663 HD2 LYS 81 HD2 LYS 81 18.803 5.336 -13.551 664 HD3 LYS 81 HD1 LYS 81 20.446 5.091 -12.954 665 HE2 LYS 81 HE2 LYS 81 19.192 3.678 -15.305 666 HE3 LYS 81 HE1 LYS 81 20.351 5.003 -15.400 667 HZ1 LYS 81 HZ1 LYS 81 20.882 2.354 -14.165 668 HZ2 LYS 81 HZ2 LYS 81 21.992 3.617 -14.316 669 HZ3 LYS 81 HZ3 LYS 81 21.406 2.838 -15.697 670 H HIS 82 HN HIS 82 16.566 2.797 -8.645 671 HA HIS 82 HA HIS 82 18.053 4.089 -6.480 672 HB2 HIS 82 HB2 HIS 82 15.095 3.491 -6.755 673 HB3 HIS 82 HB1 HIS 82 15.834 4.361 -5.418 674 HD1 HIS 82 HD1 HIS 82 14.507 4.794 -8.820 675 HD2 HIS 82 HD2 HIS 82 16.837 6.962 -6.140 676 HE1 HIS 82 HE1 HIS 82 14.492 7.166 -9.666 677 HE2 HIS 82 HE2 HIS 82 16.030 8.420 -8.117 678 HA PRO 83 HA PRO 83 18.164 -0.028 -4.623 679 HB2 PRO 83 HB2 PRO 83 19.912 0.574 -2.654 680 HB3 PRO 83 HB1 PRO 83 20.430 0.292 -4.318 681 HG2 PRO 83 HG2 PRO 83 20.097 2.862 -2.845 682 HG3 PRO 83 HG1 PRO 83 21.324 2.400 -4.036 683 HD2 PRO 83 HD2 PRO 83 19.100 3.954 -4.576 684 HD3 PRO 83 HD1 PRO 83 20.018 3.042 -5.790 685 H LEU 84 HN LEU 84 16.344 -0.401 -3.618 686 HA LEU 84 HA LEU 84 15.993 -0.110 -0.918 687 HB2 LEU 84 HB2 LEU 84 13.917 1.369 -0.890 688 HB3 LEU 84 HB1 LEU 84 15.480 2.167 -0.992 689 HG LEU 84 HG LEU 84 15.152 2.428 -3.458 690 HD11 LEU 84 HD11 LEU 84 12.874 2.219 -4.343 691 HD12 LEU 84 HD12 LEU 84 12.376 1.445 -2.839 692 HD13 LEU 84 HD13 LEU 84 13.568 0.666 -3.879 693 HD21 LEU 84 HD21 LEU 84 13.084 3.673 -1.657 694 HD22 LEU 84 HD22 LEU 84 13.536 4.264 -3.256 695 HD23 LEU 84 HD23 LEU 84 14.720 4.264 -1.949 696 H CYS 85 HN CYS 85 13.505 -0.612 -0.407 697 HA CYS 85 HA CYS 85 13.133 -2.915 -2.175 698 HB2 CYS 85 HB2 CYS 85 14.045 -3.323 0.129 699 HB3 CYS 85 HB1 CYS 85 12.501 -2.782 0.766 700 H GLY 86 HN GLY 86 10.797 -3.494 -0.284 701 HA2 GLY 86 HA2 GLY 86 9.015 -2.490 -2.393 702 HA3 GLY 86 HA1 GLY 86 8.834 -4.018 -1.570 703 H LYS 87 HN LYS 87 9.473 -1.141 0.285 704 HA LYS 87 HA LYS 87 6.708 -1.404 1.200 705 HB2 LYS 87 HB2 LYS 87 9.107 -0.434 2.728 706 HB3 LYS 87 HB1 LYS 87 7.483 -0.410 3.355 707 HG2 LYS 87 HG2 LYS 87 8.381 -2.281 4.331 708 HG3 LYS 87 HG1 LYS 87 7.585 -2.968 2.918 709 HD2 LYS 87 HD2 LYS 87 9.624 -3.221 1.767 710 HD3 LYS 87 HD1 LYS 87 10.485 -2.196 2.916 711 HE2 LYS 87 HE2 LYS 87 10.985 -4.546 3.292 712 HE3 LYS 87 HE1 LYS 87 10.142 -3.835 4.666 713 HZ1 LYS 87 HZ1 LYS 87 8.085 -4.829 3.851 714 HZ2 LYS 87 HZ2 LYS 87 9.261 -6.009 4.136 715 HZ3 LYS 87 HZ3 LYS 87 8.918 -5.525 2.554 716 H ARG 88 HN ARG 88 5.838 0.860 2.168 717 HA ARG 88 HA ARG 88 6.613 2.950 0.388 718 HB2 ARG 88 HB2 ARG 88 5.303 1.171 -0.959 719 HB3 ARG 88 HB1 ARG 88 3.888 1.860 -0.183 720 HG2 ARG 88 HG2 ARG 88 4.370 4.029 -1.156 721 HG3 ARG 88 HG1 ARG 88 5.851 3.397 -1.876 722 HD2 ARG 88 HD2 ARG 88 4.434 1.743 -3.116 723 HD3 ARG 88 HD1 ARG 88 3.017 2.599 -2.513 724 HE ARG 88 HE ARG 88 4.619 4.498 -3.729 725 HH11 ARG 88 HH11 ARG 88 2.950 1.570 -4.710 726 HH12 ARG 88 HH12 ARG 88 2.689 2.120 -6.336 727 HH21 ARG 88 HH21 ARG 88 4.281 5.210 -5.862 728 HH22 ARG 88 HH22 ARG 88 3.441 4.195 -6.990 729 H TYR 89 HN TYR 89 5.165 4.688 0.229 730 HA TYR 89 HA TYR 89 4.159 5.546 2.776 731 HB2 TYR 89 HB2 TYR 89 4.198 7.005 0.112 732 HB3 TYR 89 HB1 TYR 89 3.989 7.728 1.705 733 HD1 TYR 89 HD1 TYR 89 6.425 6.082 -0.537 734 HD2 TYR 89 HD2 TYR 89 5.872 8.264 3.070 735 HE1 TYR 89 HE1 TYR 89 8.850 6.447 -0.393 736 HE2 TYR 89 HE2 TYR 89 8.297 8.631 3.227 737 HH TYR 89 HH TYR 89 10.359 7.726 2.427 738 H GLU 90 HN GLU 90 1.857 6.993 2.114 739 HA GLU 90 HA GLU 90 0.321 4.573 2.377 740 HB2 GLU 90 HB2 GLU 90 -0.134 6.120 4.044 741 HB3 GLU 90 HB1 GLU 90 -0.146 7.470 2.929 742 HG2 GLU 90 HG2 GLU 90 -2.257 6.359 1.949 743 HG3 GLU 90 HG1 GLU 90 -2.274 5.439 3.458 744 H LEU 91 HN LEU 91 -0.450 3.628 0.734 745 HA LEU 91 HA LEU 91 -1.976 5.140 -1.238 746 HB2 LEU 91 HB2 LEU 91 -1.971 2.145 -1.143 747 HB3 LEU 91 HB1 LEU 91 -2.066 3.213 -2.521 748 HG LEU 91 HG LEU 91 0.486 2.999 -0.962 749 HD11 LEU 91 HD11 LEU 91 -0.392 1.232 -3.238 750 HD12 LEU 91 HD12 LEU 91 -0.074 0.728 -1.580 751 HD13 LEU 91 HD13 LEU 91 1.243 1.324 -2.589 752 HD21 LEU 91 HD21 LEU 91 0.249 4.856 -2.519 753 HD22 LEU 91 HD22 LEU 91 -0.155 3.734 -3.816 754 HD23 LEU 91 HD23 LEU 91 1.453 3.705 -3.095 755 H SER 92 HN SER 92 -4.004 5.576 -0.732 756 HA SER 92 HA SER 92 -5.131 4.128 1.536 757 HB2 SER 92 HB2 SER 92 -5.019 6.597 1.714 758 HB3 SER 92 HB1 SER 92 -6.058 6.692 0.309 759 HG SER 92 HG SER 92 -7.697 5.703 1.468 760 H ALA 93 HN ALA 93 -7.250 3.491 1.480 761 HA ALA 93 HA ALA 93 -7.948 2.576 -1.195 762 HB1 ALA 93 HB1 ALA 93 -7.529 1.099 0.966 763 HB2 ALA 93 HB2 ALA 93 -8.587 0.644 -0.379 764 HB3 ALA 93 HB3 ALA 93 -9.274 1.359 1.098 765 H ARG 94 HN ARG 94 -10.103 2.649 -1.849 766 HA ARG 94 HA ARG 94 -12.060 3.755 -2.191 767 HB2 ARG 94 HB2 ARG 94 -12.043 4.086 0.763 768 HB3 ARG 94 HB1 ARG 94 -13.373 4.338 -0.337 769 HG2 ARG 94 HG2 ARG 94 -13.131 1.952 -1.064 770 HG3 ARG 94 HG1 ARG 94 -12.013 1.746 0.281 771 HD2 ARG 94 HD2 ARG 94 -14.004 1.009 1.179 772 HD3 ARG 94 HD1 ARG 94 -13.957 2.689 1.712 773 HE ARG 94 HE ARG 94 -15.372 2.991 -0.478 774 HH11 ARG 94 HH11 ARG 94 -15.579 0.382 1.856 775 HH12 ARG 94 HH12 ARG 94 -17.262 0.090 1.569 776 HH21 ARG 94 HH21 ARG 94 -17.610 2.591 -0.845 777 HH22 ARG 94 HH22 ARG 94 -18.407 1.332 0.043 778 H MET 95 HN MET 95 -12.183 6.144 0.187 779 HA MET 95 HA MET 95 -12.865 8.214 -0.564 780 HB2 MET 95 HB2 MET 95 -10.118 8.300 -1.800 781 HB3 MET 95 HB1 MET 95 -11.020 9.623 -1.077 782 HG2 MET 95 HG2 MET 95 -10.828 8.251 1.094 783 HG3 MET 95 HG1 MET 95 -9.546 7.390 0.243 784 HE1 MET 95 HE1 MET 95 -9.424 11.905 1.206 785 HE2 MET 95 HE2 MET 95 -10.760 10.831 1.626 786 HE3 MET 95 HE3 MET 95 -10.460 11.250 -0.061 787 H ASP 96 HN ASP 96 -13.535 6.072 -2.294 788 HA ASP 96 HA ASP 96 -14.349 5.571 -4.297 789 HB2 ASP 96 HB2 ASP 96 -13.908 8.498 -4.846 790 HB3 ASP 96 HB1 ASP 96 -14.766 7.384 -5.887 791 H ALA 97 HN ALA 97 -11.452 5.385 -3.747 792 HA ALA 97 HA ALA 97 -10.685 4.356 -6.272 793 HB1 ALA 97 HB1 ALA 97 -8.659 5.858 -6.669 794 HB2 ALA 97 HB2 ALA 97 -9.399 6.990 -5.505 795 HB3 ALA 97 HB3 ALA 97 -10.244 6.604 -7.004 796 H ILE 98 HN ILE 98 -7.913 4.467 -6.021 797 HA ILE 98 HA ILE 98 -7.316 4.007 -3.197 798 HB ILE 98 HB ILE 98 -6.231 2.607 -5.630 799 HG12 ILE 98 HG12 ILE 98 -8.113 1.896 -3.802 800 HG13 ILE 98 HG11 ILE 98 -7.080 0.730 -4.639 801 HG21 ILE 98 HG21 ILE 98 -4.803 3.166 -3.010 802 HG22 ILE 98 HG22 ILE 98 -4.167 3.259 -4.657 803 HG23 ILE 98 HG23 ILE 98 -4.472 1.682 -3.913 804 HD11 ILE 98 HD11 ILE 98 -6.406 1.975 -2.018 805 HD12 ILE 98 HD12 ILE 98 -5.681 0.548 -2.776 806 HD13 ILE 98 HD13 ILE 98 -7.340 0.483 -2.174 807 H TYR 99 HN TYR 99 -6.247 5.619 -2.411 808 HA TYR 99 HA TYR 99 -5.355 7.689 -4.261 809 HB2 TYR 99 HB2 TYR 99 -6.335 7.627 -1.476 810 HB3 TYR 99 HB1 TYR 99 -5.111 8.842 -1.826 811 HD1 TYR 99 HD1 TYR 99 -8.224 7.499 -3.397 812 HD2 TYR 99 HD2 TYR 99 -5.904 10.926 -2.420 813 HE1 TYR 99 HE1 TYR 99 -9.969 8.942 -4.350 814 HE2 TYR 99 HE2 TYR 99 -7.644 12.381 -3.375 815 HH TYR 99 HH TYR 99 -10.758 11.253 -4.169 816 H PHE 100 HN PHE 100 -3.361 8.333 -4.525 817 HA PHE 100 HA PHE 100 -1.224 6.978 -3.094 818 HB2 PHE 100 HB2 PHE 100 -1.054 7.159 -5.517 819 HB3 PHE 100 HB1 PHE 100 -1.248 8.901 -5.439 820 HD1 PHE 100 HD1 PHE 100 0.607 10.301 -5.183 821 HD2 PHE 100 HD2 PHE 100 1.009 6.115 -4.548 822 HE1 PHE 100 HE1 PHE 100 3.045 10.559 -5.044 823 HE2 PHE 100 HE2 PHE 100 3.451 6.365 -4.412 824 HZ PHE 100 HZ PHE 100 4.479 8.584 -4.800 825 H LYS 101 HN LYS 101 -0.772 7.894 -1.132 826 HA LYS 101 HA LYS 101 -0.739 10.833 -0.997 827 HB2 LYS 101 HB2 LYS 101 -2.697 10.134 0.154 828 HB3 LYS 101 HB1 LYS 101 -1.831 8.864 1.004 829 HG2 LYS 101 HG2 LYS 101 -0.668 10.462 2.347 830 HG3 LYS 101 HG1 LYS 101 -1.307 11.802 1.393 831 HD2 LYS 101 HD2 LYS 101 -3.482 11.503 2.226 832 HD3 LYS 101 HD1 LYS 101 -3.119 9.887 2.831 833 HE2 LYS 101 HE2 LYS 101 -1.935 12.443 3.905 834 HE3 LYS 101 HE1 LYS 101 -3.294 11.580 4.624 835 HZ1 LYS 101 HZ1 LYS 101 -1.810 9.630 4.859 836 HZ2 LYS 101 HZ2 LYS 101 -1.309 10.971 5.768 837 HZ3 LYS 101 HZ3 LYS 101 -0.515 10.589 4.330 838 H MET 102 HN MET 102 0.981 11.752 -0.223 839 HA MET 102 HA MET 102 2.670 10.697 1.790 840 HB2 MET 102 HB2 MET 102 4.721 10.420 0.496 841 HB3 MET 102 HB1 MET 102 3.494 9.309 -0.096 842 HG2 MET 102 HG2 MET 102 3.113 10.607 -2.030 843 HG3 MET 102 HG1 MET 102 4.025 11.969 -1.383 844 HE1 MET 102 HE1 MET 102 4.260 8.238 -2.523 845 HE2 MET 102 HE2 MET 102 5.232 8.221 -1.052 846 HE3 MET 102 HE3 MET 102 6.002 7.988 -2.619 847 H ASP 103 HN ASP 103 4.480 12.258 2.215 848 HA ASP 103 HA ASP 103 3.666 14.947 1.726 849 HB2 ASP 103 HB2 ASP 103 6.280 13.888 2.788 850 HB3 ASP 103 HB1 ASP 103 5.797 15.578 2.776 851 H GLU 104 HN GLU 104 5.305 16.553 0.841 852 HA GLU 104 HA GLU 104 6.457 17.392 -0.930 853 HB2 GLU 104 HB2 GLU 104 8.107 15.659 -0.757 854 HB3 GLU 104 HB1 GLU 104 7.027 14.510 -1.517 855 HG2 GLU 104 HG2 GLU 104 7.119 16.033 -3.561 856 HG3 GLU 104 HG1 GLU 104 8.494 16.798 -2.767 857 H ARG 105 HN ARG 105 3.937 15.120 -1.219 858 HA ARG 105 HA ARG 105 3.235 16.161 -3.886 859 HB2 ARG 105 HB2 ARG 105 3.172 13.245 -3.079 860 HB3 ARG 105 HB1 ARG 105 2.652 13.896 -4.628 861 HG2 ARG 105 HG2 ARG 105 4.928 14.633 -5.092 862 HG3 ARG 105 HG1 ARG 105 5.453 14.004 -3.530 863 HD2 ARG 105 HD2 ARG 105 4.742 11.748 -4.250 864 HD3 ARG 105 HD1 ARG 105 4.339 12.412 -5.835 865 HE ARG 105 HE ARG 105 7.070 12.788 -4.850 866 HH11 ARG 105 HH11 ARG 105 4.856 11.128 -7.011 867 HH12 ARG 105 HH12 ARG 105 6.117 10.508 -8.028 868 HH21 ARG 105 HH21 ARG 105 8.726 11.970 -6.190 869 HH22 ARG 105 HH22 ARG 105 8.319 10.988 -7.561 870 HA PRO 106 HA PRO 106 -0.865 16.238 -2.141 871 HB2 PRO 106 HB2 PRO 106 -2.318 16.570 -4.370 872 HB3 PRO 106 HB1 PRO 106 -1.246 17.837 -3.770 873 HG2 PRO 106 HG2 PRO 106 -0.834 15.915 -6.012 874 HG3 PRO 106 HG1 PRO 106 -0.374 17.622 -5.898 875 HD2 PRO 106 HD2 PRO 106 1.331 15.474 -5.480 876 HD3 PRO 106 HD1 PRO 106 1.609 17.127 -4.898 877 HA PRO 107 HA PRO 107 -2.220 11.961 -2.332 878 HB2 PRO 107 HB2 PRO 107 -4.718 12.472 -1.219 879 HB3 PRO 107 HB1 PRO 107 -3.251 12.105 -0.310 880 HG2 PRO 107 HG2 PRO 107 -4.531 14.732 -0.865 881 HG3 PRO 107 HG1 PRO 107 -3.669 14.184 0.581 882 HD2 PRO 107 HD2 PRO 107 -2.554 15.858 -1.212 883 HD3 PRO 107 HD1 PRO 107 -1.598 14.655 -0.324 884 H GLN 108 HN GLN 108 -2.781 11.192 -4.262 885 HA GLN 108 HA GLN 108 -4.998 12.493 -5.705 886 HB2 GLN 108 HB2 GLN 108 -3.712 12.009 -7.797 887 HB3 GLN 108 HB1 GLN 108 -2.966 13.203 -6.740 888 HG2 GLN 108 HG2 GLN 108 -1.555 11.310 -5.826 889 HG3 GLN 108 HG1 GLN 108 -2.157 10.344 -7.171 890 HE21 GLN 108 HE21 GLN 108 -1.493 13.774 -7.365 891 HE22 GLN 108 HE22 GLN 108 -0.137 13.644 -8.429 892 HA PRO 109 HA PRO 109 -6.767 8.423 -6.332 893 HB2 PRO 109 HB2 PRO 109 -7.599 9.531 -8.946 894 HB3 PRO 109 HB1 PRO 109 -8.591 8.828 -7.663 895 HG2 PRO 109 HG2 PRO 109 -8.599 11.452 -8.119 896 HG3 PRO 109 HG1 PRO 109 -8.664 10.813 -6.465 897 HD2 PRO 109 HD2 PRO 109 -6.344 11.977 -7.956 898 HD3 PRO 109 HD1 PRO 109 -6.819 12.194 -6.259 899 H LEU 110 HN LEU 110 -4.916 7.184 -6.654 900 HA LEU 110 HA LEU 110 -3.460 7.362 -9.153 901 HB2 LEU 110 HB2 LEU 110 -2.507 6.996 -6.796 902 HB3 LEU 110 HB1 LEU 110 -3.032 5.346 -6.989 903 HG LEU 110 HG LEU 110 -1.635 5.261 -9.102 904 HD11 LEU 110 HD11 LEU 110 -0.490 7.789 -7.927 905 HD12 LEU 110 HD12 LEU 110 -1.364 7.645 -9.452 906 HD13 LEU 110 HD13 LEU 110 0.206 6.866 -9.260 907 HD21 LEU 110 HD21 LEU 110 0.404 4.781 -7.895 908 HD22 LEU 110 HD22 LEU 110 -0.986 4.207 -6.974 909 HD23 LEU 110 HD23 LEU 110 -0.170 5.697 -6.504 910 H ASN 111 HN ASN 111 -5.727 5.403 -7.547 911 HA ASN 111 HA ASN 111 -5.926 3.512 -9.744 912 HB2 ASN 111 HB2 ASN 111 -4.771 2.772 -7.052 913 HB3 ASN 111 HB1 ASN 111 -5.695 1.579 -7.962 914 HD21 ASN 111 HD21 ASN 111 -4.705 2.582 -10.544 915 HD22 ASN 111 HD22 ASN 111 -3.068 2.047 -10.665 916 H LYS 112 HN LYS 112 -7.602 1.723 -8.704 917 HA LYS 112 HA LYS 112 -9.095 2.934 -6.569 918 HB2 LYS 112 HB2 LYS 112 -11.218 2.430 -7.724 919 HB3 LYS 112 HB1 LYS 112 -10.267 3.670 -8.495 920 HG2 LYS 112 HG2 LYS 112 -9.587 2.172 -10.230 921 HG3 LYS 112 HG1 LYS 112 -10.342 0.811 -9.399 922 HD2 LYS 112 HD2 LYS 112 -12.536 1.810 -9.711 923 HD3 LYS 112 HD1 LYS 112 -11.804 3.223 -10.475 924 HE2 LYS 112 HE2 LYS 112 -11.568 0.406 -11.527 925 HE3 LYS 112 HE1 LYS 112 -12.772 1.571 -12.076 926 HZ1 LYS 112 HZ1 LYS 112 -9.825 1.886 -12.283 927 HZ2 LYS 112 HZ2 LYS 112 -10.967 3.034 -12.774 928 HZ3 LYS 112 HZ3 LYS 112 -10.884 1.536 -13.555 929 H TRP 113 HN TRP 113 -9.948 1.510 -5.227 930 HA TRP 113 HA TRP 113 -9.156 -1.200 -5.256 931 HB2 TRP 113 HB2 TRP 113 -10.687 -1.443 -3.383 932 HB3 TRP 113 HB1 TRP 113 -9.670 -0.012 -3.142 933 HD1 TRP 113 HD1 TRP 113 -10.987 2.379 -4.005 934 HE1 TRP 113 HE1 TRP 113 -13.441 3.051 -3.663 935 HE3 TRP 113 HE3 TRP 113 -12.953 -2.237 -3.019 936 HZ2 TRP 113 HZ2 TRP 113 -15.891 1.787 -3.035 937 HZ3 TRP 113 HZ3 TRP 113 -15.362 -2.416 -2.557 938 HH2 TRP 113 HH2 TRP 113 -16.799 -0.443 -2.563 939 H ARG 114 HN ARG 114 -11.073 -2.882 -4.881 940 HA ARG 114 HA ARG 114 -13.302 -2.308 -6.592 941 HB2 ARG 114 HB2 ARG 114 -11.714 -2.862 -8.215 942 HB3 ARG 114 HB1 ARG 114 -11.209 -4.296 -7.343 943 HG2 ARG 114 HG2 ARG 114 -13.129 -5.456 -8.011 944 HG3 ARG 114 HG1 ARG 114 -13.985 -3.970 -8.428 945 HD2 ARG 114 HD2 ARG 114 -13.240 -5.259 -10.405 946 HD3 ARG 114 HD1 ARG 114 -12.576 -3.628 -10.341 947 HE ARG 114 HE ARG 114 -10.804 -5.506 -9.149 948 HH11 ARG 114 HH11 ARG 114 -11.940 -4.334 -12.248 949 HH12 ARG 114 HH12 ARG 114 -10.477 -4.751 -13.080 950 HH21 ARG 114 HH21 ARG 114 -8.885 -6.053 -10.238 951 HH22 ARG 114 HH22 ARG 114 -8.732 -5.729 -11.934 952 H SER 115 HN SER 115 -14.661 -3.920 -6.857 953 HA SER 115 HA SER 115 -15.619 -6.052 -5.907 954 HB2 SER 115 HB2 SER 115 -14.966 -4.552 -3.404 955 HB3 SER 115 HB1 SER 115 -16.239 -5.761 -3.437 956 HG SER 115 HG SER 115 -13.469 -6.089 -3.900 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 20.396 1.276 -5.658 2 H2 ALA 1 HT2 ALA 1 18.999 2.215 -5.765 3 H3 ALA 1 HT3 ALA 1 19.044 0.683 -6.477 4 HA ALA 1 HA ALA 1 19.189 1.264 -3.580 5 HB1 ALA 1 HB1 ALA 1 16.990 0.225 -3.457 6 HB2 ALA 1 HB2 ALA 1 16.991 -0.013 -5.205 7 HB3 ALA 1 HB3 ALA 1 16.962 1.618 -4.537 8 H MET 2 HN MET 2 21.154 0.002 -3.555 9 HA MET 2 HA MET 2 20.835 -2.846 -4.163 10 HB2 MET 2 HB2 MET 2 23.281 -1.232 -3.424 11 HB3 MET 2 HB1 MET 2 23.290 -2.964 -3.722 12 HG2 MET 2 HG2 MET 2 22.530 -0.838 -5.711 13 HG3 MET 2 HG1 MET 2 24.061 -1.709 -5.659 14 HE1 MET 2 HE1 MET 2 23.714 -2.346 -8.247 15 HE2 MET 2 HE2 MET 2 22.189 -1.464 -8.228 16 HE3 MET 2 HE3 MET 2 22.246 -3.108 -8.861 17 H GLY 3 HN GLY 3 20.730 -0.682 -1.554 18 HA2 GLY 3 HA2 GLY 3 20.847 -2.956 0.325 19 HA3 GLY 3 HA1 GLY 3 21.574 -1.402 0.716 20 H CYS 4 HN CYS 4 20.046 0.483 0.505 21 HA CYS 4 HA CYS 4 18.165 1.609 1.003 22 HB2 CYS 4 HB2 CYS 4 17.017 -0.998 0.175 23 HB3 CYS 4 HB1 CYS 4 15.970 0.102 1.066 24 H LYS 5 HN LYS 5 17.023 2.245 2.735 25 HA LYS 5 HA LYS 5 17.520 1.152 5.274 26 HB2 LYS 5 HB2 LYS 5 16.957 3.546 4.618 27 HB3 LYS 5 HB1 LYS 5 15.321 2.965 4.634 28 HG2 LYS 5 HG2 LYS 5 15.594 2.274 6.988 29 HG3 LYS 5 HG1 LYS 5 17.196 3.013 6.964 30 HD2 LYS 5 HD2 LYS 5 14.613 4.466 6.404 31 HD3 LYS 5 HD1 LYS 5 15.456 4.473 7.952 32 HE2 LYS 5 HE2 LYS 5 17.399 5.500 6.893 33 HE3 LYS 5 HE1 LYS 5 16.574 5.471 5.336 34 HZ1 LYS 5 HZ1 LYS 5 16.425 7.643 6.366 35 HZ2 LYS 5 HZ2 LYS 5 15.687 6.977 7.734 36 HZ3 LYS 5 HZ3 LYS 5 14.889 6.947 6.245 37 H GLU 6 HN GLU 6 15.847 0.440 6.786 38 HA GLU 6 HA GLU 6 14.059 -1.515 5.910 39 HB2 GLU 6 HB2 GLU 6 13.763 0.157 8.403 40 HB3 GLU 6 HB1 GLU 6 13.233 -1.503 8.135 41 HG2 GLU 6 HG2 GLU 6 15.487 -2.263 8.023 42 HG3 GLU 6 HG1 GLU 6 16.098 -0.626 8.139 43 H ILE 7 HN ILE 7 12.576 -1.019 4.442 44 HA ILE 7 HA ILE 7 11.487 1.648 4.258 45 HB ILE 7 HB ILE 7 10.882 -0.774 2.576 46 HG12 ILE 7 HG12 ILE 7 13.115 -0.211 2.212 47 HG13 ILE 7 HG11 ILE 7 12.228 0.447 0.860 48 HG21 ILE 7 HG21 ILE 7 9.109 0.523 2.072 49 HG22 ILE 7 HG22 ILE 7 10.321 1.148 0.937 50 HG23 ILE 7 HG23 ILE 7 9.971 2.031 2.452 51 HD11 ILE 7 HD11 ILE 7 13.278 1.909 3.234 52 HD12 ILE 7 HD12 ILE 7 12.190 2.600 2.037 53 HD13 ILE 7 HD13 ILE 7 13.801 2.061 1.557 54 H GLU 8 HN GLU 8 9.112 2.081 4.067 55 HA GLU 8 HA GLU 8 7.591 0.347 5.889 56 HB2 GLU 8 HB2 GLU 8 8.070 3.302 6.237 57 HB3 GLU 8 HB1 GLU 8 6.770 2.440 7.044 58 HG2 GLU 8 HG2 GLU 8 8.411 0.984 8.122 59 HG3 GLU 8 HG1 GLU 8 9.710 1.872 7.332 60 H ILE 9 HN ILE 9 5.690 -0.094 5.102 61 HA ILE 9 HA ILE 9 4.758 1.366 2.732 62 HB ILE 9 HB ILE 9 3.208 -0.971 3.260 63 HG12 ILE 9 HG12 ILE 9 5.992 -1.234 4.031 64 HG13 ILE 9 HG11 ILE 9 4.644 -2.336 4.245 65 HG21 ILE 9 HG21 ILE 9 3.512 0.003 1.080 66 HG22 ILE 9 HG22 ILE 9 4.050 -1.680 1.106 67 HG23 ILE 9 HG23 ILE 9 5.234 -0.378 1.140 68 HD11 ILE 9 HD11 ILE 9 6.351 -3.410 2.983 69 HD12 ILE 9 HD12 ILE 9 6.371 -2.073 1.829 70 HD13 ILE 9 HD13 ILE 9 4.946 -3.110 1.955 71 H VAL 10 HN VAL 10 2.990 2.740 2.933 72 HA VAL 10 HA VAL 10 1.304 2.157 5.290 73 HB VAL 10 HB VAL 10 2.080 4.155 5.975 74 HG11 VAL 10 HG11 VAL 10 3.594 4.549 4.137 75 HG12 VAL 10 HG12 VAL 10 2.729 6.034 4.537 76 HG13 VAL 10 HG13 VAL 10 2.263 5.095 3.125 77 HG21 VAL 10 HG21 VAL 10 -0.195 4.951 4.163 78 HG22 VAL 10 HG22 VAL 10 0.491 5.990 5.409 79 HG23 VAL 10 HG23 VAL 10 -0.298 4.477 5.860 80 H ILE 11 HN ILE 11 -0.685 1.694 5.048 81 HA ILE 11 HA ILE 11 -2.098 2.285 2.550 82 HB ILE 11 HB ILE 11 -2.464 0.173 4.661 83 HG12 ILE 11 HG12 ILE 11 -0.894 -0.605 3.149 84 HG13 ILE 11 HG11 ILE 11 -2.402 -1.319 2.580 85 HG21 ILE 11 HG21 ILE 11 -4.630 -0.009 4.305 86 HG22 ILE 11 HG22 ILE 11 -4.342 -0.231 2.566 87 HG23 ILE 11 HG23 ILE 11 -4.536 1.397 3.233 88 HD11 ILE 11 HD11 ILE 11 -2.606 0.506 0.971 89 HD12 ILE 11 HD12 ILE 11 -1.156 -0.469 0.728 90 HD13 ILE 11 HD13 ILE 11 -1.046 1.114 1.505 91 H LYS 12 HN LYS 12 -3.131 4.184 2.868 92 HA LYS 12 HA LYS 12 -4.318 4.724 5.477 93 HB2 LYS 12 HB2 LYS 12 -2.823 6.364 4.232 94 HB3 LYS 12 HB1 LYS 12 -4.186 6.612 3.154 95 HG2 LYS 12 HG2 LYS 12 -5.577 7.186 5.098 96 HG3 LYS 12 HG1 LYS 12 -4.142 7.023 6.097 97 HD2 LYS 12 HD2 LYS 12 -3.077 8.864 4.966 98 HD3 LYS 12 HD1 LYS 12 -4.409 8.963 3.812 99 HE2 LYS 12 HE2 LYS 12 -5.938 9.512 5.662 100 HE3 LYS 12 HE1 LYS 12 -4.574 9.474 6.777 101 HZ1 LYS 12 HZ1 LYS 12 -4.858 11.324 4.476 102 HZ2 LYS 12 HZ2 LYS 12 -3.573 11.301 5.574 103 HZ3 LYS 12 HZ3 LYS 12 -5.126 11.725 6.096 104 H ASN 13 HN ASN 13 -6.212 3.728 5.497 105 HA ASN 13 HA ASN 13 -7.708 3.582 2.996 106 HB2 ASN 13 HB2 ASN 13 -8.901 1.680 4.088 107 HB3 ASN 13 HB1 ASN 13 -7.167 1.439 3.905 108 HD21 ASN 13 HD21 ASN 13 -9.773 1.895 6.121 109 HD22 ASN 13 HD22 ASN 13 -8.879 1.576 7.562 110 H THR 14 HN THR 14 -9.862 4.138 2.776 111 HA THR 14 HA THR 14 -11.905 4.379 3.237 112 HB THR 14 HB THR 14 -12.795 4.103 5.518 113 HG1 THR 14 HG1 THR 14 -10.226 4.310 6.195 114 HG21 THR 14 HG21 THR 14 -11.009 2.049 4.225 115 HG22 THR 14 HG22 THR 14 -12.636 2.494 3.669 116 HG23 THR 14 HG23 THR 14 -12.416 1.697 5.249 117 H LEU 15 HN LEU 15 -13.176 5.644 3.126 118 HA LEU 15 HA LEU 15 -12.705 8.273 2.775 119 HB2 LEU 15 HB2 LEU 15 -15.362 7.095 3.557 120 HB3 LEU 15 HB1 LEU 15 -15.149 8.722 3.015 121 HG LEU 15 HG LEU 15 -14.424 7.942 0.839 122 HD11 LEU 15 HD11 LEU 15 -13.368 5.988 1.465 123 HD12 LEU 15 HD12 LEU 15 -14.674 5.510 0.402 124 HD13 LEU 15 HD13 LEU 15 -14.831 5.291 2.155 125 HD21 LEU 15 HD21 LEU 15 -16.584 6.950 0.133 126 HD22 LEU 15 HD22 LEU 15 -16.787 8.373 1.153 127 HD23 LEU 15 HD23 LEU 15 -17.021 6.763 1.832 128 H GLY 16 HN GLY 16 -14.523 6.962 5.466 129 HA2 GLY 16 HA2 GLY 16 -13.786 8.316 7.643 130 HA3 GLY 16 HA1 GLY 16 -14.757 9.519 6.782 131 HA PRO 17 HA PRO 17 -18.205 6.853 8.097 132 HB2 PRO 17 HB2 PRO 17 -20.183 7.825 6.548 133 HB3 PRO 17 HB1 PRO 17 -19.417 8.798 7.805 134 HG2 PRO 17 HG2 PRO 17 -19.222 9.049 4.892 135 HG3 PRO 17 HG1 PRO 17 -18.800 10.223 6.145 136 HD2 PRO 17 HD2 PRO 17 -17.065 8.372 4.693 137 HD3 PRO 17 HD1 PRO 17 -16.619 9.736 5.740 138 H SER 18 HN SER 18 -18.822 4.790 7.678 139 HA SER 18 HA SER 18 -19.270 2.820 6.642 140 HB2 SER 18 HB2 SER 18 -20.485 4.665 4.578 141 HB3 SER 18 HB1 SER 18 -20.826 2.942 4.738 142 HG SER 18 HG SER 18 -21.898 3.298 6.578 143 H ARG 19 HN ARG 19 -17.041 2.342 6.283 144 HA ARG 19 HA ARG 19 -16.251 1.941 3.556 145 HB2 ARG 19 HB2 ARG 19 -14.081 3.225 4.940 146 HB3 ARG 19 HB1 ARG 19 -14.701 3.541 3.359 147 HG2 ARG 19 HG2 ARG 19 -14.958 5.567 4.398 148 HG3 ARG 19 HG1 ARG 19 -16.542 4.836 4.706 149 HD2 ARG 19 HD2 ARG 19 -14.214 5.172 6.568 150 HD3 ARG 19 HD1 ARG 19 -15.873 5.705 6.792 151 HE ARG 19 HE ARG 19 -15.274 2.831 6.755 152 HH11 ARG 19 HH11 ARG 19 -16.226 5.640 8.660 153 HH12 ARG 19 HH12 ARG 19 -16.866 4.671 9.952 154 HH21 ARG 19 HH21 ARG 19 -16.124 1.607 8.471 155 HH22 ARG 19 HH22 ARG 19 -16.793 2.412 9.857 156 H ILE 20 HN ILE 20 -15.644 -0.154 3.788 157 HA ILE 20 HA ILE 20 -13.280 -0.688 5.372 158 HB ILE 20 HB ILE 20 -15.793 -2.233 5.949 159 HG12 ILE 20 HG12 ILE 20 -13.961 -0.453 7.481 160 HG13 ILE 20 HG11 ILE 20 -15.700 -0.637 7.551 161 HG21 ILE 20 HG21 ILE 20 -14.416 -3.791 7.196 162 HG22 ILE 20 HG22 ILE 20 -12.959 -2.974 6.640 163 HG23 ILE 20 HG23 ILE 20 -13.993 -3.811 5.484 164 HD11 ILE 20 HD11 ILE 20 -15.450 -2.688 8.781 165 HD12 ILE 20 HD12 ILE 20 -14.634 -1.328 9.573 166 HD13 ILE 20 HD13 ILE 20 -13.692 -2.524 8.658 167 H LEU 21 HN LEU 21 -11.921 -1.758 4.077 168 HA LEU 21 HA LEU 21 -12.985 -4.016 2.561 169 HB2 LEU 21 HB2 LEU 21 -11.090 -2.059 1.305 170 HB3 LEU 21 HB1 LEU 21 -11.515 -3.626 0.650 171 HG LEU 21 HG LEU 21 -12.721 -1.988 -0.586 172 HD11 LEU 21 HD11 LEU 21 -15.012 -2.704 -0.252 173 HD12 LEU 21 HD12 LEU 21 -14.599 -3.332 1.342 174 HD13 LEU 21 HD13 LEU 21 -13.895 -4.059 -0.101 175 HD21 LEU 21 HD21 LEU 21 -13.858 -0.966 2.010 176 HD22 LEU 21 HD22 LEU 21 -14.332 -0.443 0.394 177 HD23 LEU 21 HD23 LEU 21 -12.698 -0.128 0.979 178 H GLN 22 HN GLN 22 -11.287 -5.581 1.978 179 HA GLN 22 HA GLN 22 -9.217 -5.606 3.952 180 HB2 GLN 22 HB2 GLN 22 -10.311 -7.682 3.752 181 HB3 GLN 22 HB1 GLN 22 -10.291 -7.608 1.991 182 HG2 GLN 22 HG2 GLN 22 -7.902 -7.852 1.977 183 HG3 GLN 22 HG1 GLN 22 -7.867 -7.829 3.740 184 HE21 GLN 22 HE21 GLN 22 -10.324 -9.459 3.887 185 HE22 GLN 22 HE22 GLN 22 -9.860 -11.072 3.481 186 H TYR 23 HN TYR 23 -7.412 -4.775 3.521 187 HA TYR 23 HA TYR 23 -6.331 -4.771 0.816 188 HB2 TYR 23 HB2 TYR 23 -4.745 -3.152 1.577 189 HB3 TYR 23 HB1 TYR 23 -6.255 -2.698 2.374 190 HD1 TYR 23 HD1 TYR 23 -6.701 -3.721 4.715 191 HD2 TYR 23 HD2 TYR 23 -2.874 -3.489 2.840 192 HE1 TYR 23 HE1 TYR 23 -5.591 -3.836 6.928 193 HE2 TYR 23 HE2 TYR 23 -1.769 -3.589 5.003 194 HH TYR 23 HH TYR 23 -2.203 -3.204 7.310 195 H HIS 24 HN HIS 24 -4.148 -5.721 0.628 196 HA HIS 24 HA HIS 24 -3.156 -7.289 2.863 197 HB2 HIS 24 HB2 HIS 24 -4.373 -9.048 2.221 198 HB3 HIS 24 HB1 HIS 24 -4.483 -8.556 0.518 199 HD1 HIS 24 HD1 HIS 24 -1.368 -9.168 2.520 200 HD2 HIS 24 HD2 HIS 24 -3.423 -10.809 -0.678 201 HE1 HIS 24 HE1 HIS 24 0.093 -11.005 1.680 202 HE2 HIS 24 HE2 HIS 24 -1.198 -12.055 -0.222 203 H CYS 25 HN CYS 25 -1.411 -6.212 2.952 204 HA CYS 25 HA CYS 25 0.338 -6.334 0.615 205 HB2 CYS 25 HB2 CYS 25 -0.521 -4.039 1.652 206 HB3 CYS 25 HB1 CYS 25 0.807 -4.333 2.770 207 H ARG 26 HN ARG 26 2.297 -7.261 0.909 208 HA ARG 26 HA ARG 26 3.246 -7.754 3.598 209 HB2 ARG 26 HB2 ARG 26 1.776 -9.724 2.834 210 HB3 ARG 26 HB1 ARG 26 3.191 -10.146 1.871 211 HG2 ARG 26 HG2 ARG 26 3.117 -11.211 4.148 212 HG3 ARG 26 HG1 ARG 26 4.574 -10.296 3.802 213 HD2 ARG 26 HD2 ARG 26 2.336 -8.886 5.150 214 HD3 ARG 26 HD1 ARG 26 3.248 -10.063 6.089 215 HE ARG 26 HE ARG 26 4.520 -7.766 4.730 216 HH11 ARG 26 HH11 ARG 26 4.111 -9.824 7.534 217 HH12 ARG 26 HH12 ARG 26 5.377 -9.059 8.435 218 HH21 ARG 26 HH21 ARG 26 6.175 -6.743 5.926 219 HH22 ARG 26 HH22 ARG 26 6.545 -7.306 7.528 220 H SER 27 HN SER 27 5.653 -8.826 3.328 221 HA SER 27 HA SER 27 6.544 -6.627 1.634 222 HB2 SER 27 HB2 SER 27 7.677 -7.354 4.301 223 HB3 SER 27 HB1 SER 27 8.008 -5.919 3.330 224 HG SER 27 HG SER 27 6.287 -5.019 4.109 225 H GLY 28 HN GLY 28 7.484 -7.580 -0.023 226 HA2 GLY 28 HA2 GLY 28 9.455 -7.941 -1.098 227 HA3 GLY 28 HA1 GLY 28 10.240 -7.879 0.481 228 H ASN 29 HN ASN 29 8.518 -9.928 -1.765 229 HA ASN 29 HA ASN 29 8.387 -12.208 -2.008 230 HB2 ASN 29 HB2 ASN 29 10.767 -12.125 -2.373 231 HB3 ASN 29 HB1 ASN 29 11.080 -12.074 -0.643 232 HD21 ASN 29 HD21 ASN 29 10.066 -14.070 -3.314 233 HD22 ASN 29 HD22 ASN 29 10.339 -15.589 -2.535 234 H THR 30 HN THR 30 8.715 -10.912 1.152 235 HA THR 30 HA THR 30 8.022 -13.343 2.557 236 HB THR 30 HB THR 30 8.458 -10.481 3.443 237 HG1 THR 30 HG1 THR 30 10.348 -11.498 2.756 238 HG21 THR 30 HG21 THR 30 8.402 -11.173 5.699 239 HG22 THR 30 HG22 THR 30 8.293 -12.881 5.247 240 HG23 THR 30 HG23 THR 30 6.929 -11.801 4.950 241 H ASN 31 HN ASN 31 5.948 -13.913 2.041 242 HA ASN 31 HA ASN 31 3.945 -11.763 2.040 243 HB2 ASN 31 HB2 ASN 31 4.380 -12.651 -0.221 244 HB3 ASN 31 HB1 ASN 31 3.943 -14.261 0.340 245 HD21 ASN 31 HD21 ASN 31 2.286 -14.372 -1.190 246 HD22 ASN 31 HD22 ASN 31 0.799 -13.515 -0.976 247 H VAL 32 HN VAL 32 2.192 -11.958 3.280 248 HA VAL 32 HA VAL 32 1.875 -14.570 4.651 249 HB VAL 32 HB VAL 32 1.444 -11.802 5.774 250 HG11 VAL 32 HG11 VAL 32 -0.293 -13.310 6.594 251 HG12 VAL 32 HG12 VAL 32 0.843 -12.883 7.874 252 HG13 VAL 32 HG13 VAL 32 0.944 -14.463 7.097 253 HG21 VAL 32 HG21 VAL 32 3.381 -13.987 6.521 254 HG22 VAL 32 HG22 VAL 32 3.207 -12.441 7.349 255 HG23 VAL 32 HG23 VAL 32 3.779 -12.488 5.682 256 H GLY 33 HN GLY 33 -0.153 -11.648 4.495 257 HA2 GLY 33 HA2 GLY 33 -2.131 -12.022 2.839 258 HA3 GLY 33 HA1 GLY 33 -2.456 -13.381 3.915 259 H VAL 34 HN VAL 34 -3.933 -10.750 3.331 260 HA VAL 34 HA VAL 34 -3.854 -9.744 6.012 261 HB VAL 34 HB VAL 34 -4.241 -8.050 3.688 262 HG11 VAL 34 HG11 VAL 34 -5.231 -6.712 5.203 263 HG12 VAL 34 HG12 VAL 34 -3.542 -6.340 5.617 264 HG13 VAL 34 HG13 VAL 34 -4.437 -7.519 6.577 265 HG21 VAL 34 HG21 VAL 34 -1.892 -8.443 5.542 266 HG22 VAL 34 HG22 VAL 34 -1.956 -7.219 4.284 267 HG23 VAL 34 HG23 VAL 34 -1.957 -8.935 3.854 268 H GLN 35 HN GLN 35 -6.051 -7.944 5.804 269 HA GLN 35 HA GLN 35 -8.376 -9.511 5.647 270 HB2 GLN 35 HB2 GLN 35 -7.366 -10.400 7.675 271 HB3 GLN 35 HB1 GLN 35 -6.989 -8.782 8.246 272 HG2 GLN 35 HG2 GLN 35 -9.174 -8.320 8.750 273 HG3 GLN 35 HG1 GLN 35 -9.777 -9.630 7.749 274 HE21 GLN 35 HE21 GLN 35 -9.778 -11.723 8.554 275 HE22 GLN 35 HE22 GLN 35 -9.507 -12.082 10.227 276 H TYR 36 HN TYR 36 -9.920 -7.780 7.296 277 HA TYR 36 HA TYR 36 -9.958 -5.519 5.514 278 HB2 TYR 36 HB2 TYR 36 -11.715 -6.180 7.889 279 HB3 TYR 36 HB1 TYR 36 -12.008 -4.886 6.747 280 HD1 TYR 36 HD1 TYR 36 -10.896 -8.294 5.778 281 HD2 TYR 36 HD2 TYR 36 -14.150 -5.573 6.061 282 HE1 TYR 36 HE1 TYR 36 -12.270 -9.814 4.434 283 HE2 TYR 36 HE2 TYR 36 -15.528 -7.079 4.705 284 HH TYR 36 HH TYR 36 -15.240 -8.892 3.060 285 H LEU 37 HN LEU 37 -9.691 -3.430 5.949 286 HA LEU 37 HA LEU 37 -8.705 -2.747 8.628 287 HB2 LEU 37 HB2 LEU 37 -7.188 -2.452 6.344 288 HB3 LEU 37 HB1 LEU 37 -8.006 -0.907 6.423 289 HG LEU 37 HG LEU 37 -5.822 -0.781 7.491 290 HD11 LEU 37 HD11 LEU 37 -7.546 0.660 8.365 291 HD12 LEU 37 HD12 LEU 37 -6.496 0.112 9.670 292 HD13 LEU 37 HD13 LEU 37 -8.091 -0.610 9.460 293 HD21 LEU 37 HD21 LEU 37 -5.515 -1.982 9.687 294 HD22 LEU 37 HD22 LEU 37 -5.405 -2.974 8.241 295 HD23 LEU 37 HD23 LEU 37 -6.871 -3.007 9.218 296 H ASN 38 HN ASN 38 -10.001 -1.464 9.664 297 HA ASN 38 HA ASN 38 -12.242 -0.283 8.272 298 HB2 ASN 38 HB2 ASN 38 -12.870 0.431 10.652 299 HB3 ASN 38 HB1 ASN 38 -12.964 -1.258 10.222 300 HD21 ASN 38 HD21 ASN 38 -11.308 1.145 12.076 301 HD22 ASN 38 HD22 ASN 38 -10.384 0.061 13.058 302 H PHE 39 HN PHE 39 -12.974 1.825 9.246 303 HA PHE 39 HA PHE 39 -10.906 3.657 8.416 304 HB2 PHE 39 HB2 PHE 39 -13.162 4.027 7.595 305 HB3 PHE 39 HB1 PHE 39 -13.718 4.230 9.260 306 HD1 PHE 39 HD1 PHE 39 -11.618 5.689 6.642 307 HD2 PHE 39 HD2 PHE 39 -13.411 6.255 10.461 308 HE1 PHE 39 HE1 PHE 39 -11.194 8.105 6.452 309 HE2 PHE 39 HE2 PHE 39 -12.994 8.687 10.272 310 HZ PHE 39 HZ PHE 39 -11.530 9.538 8.503 311 H LYS 40 HN LYS 40 -9.525 4.629 9.678 312 HA LYS 40 HA LYS 40 -10.270 5.839 12.136 313 HB2 LYS 40 HB2 LYS 40 -9.834 3.268 12.592 314 HB3 LYS 40 HB1 LYS 40 -8.157 3.786 12.538 315 HG2 LYS 40 HG2 LYS 40 -8.587 5.401 14.314 316 HG3 LYS 40 HG1 LYS 40 -10.271 4.879 14.377 317 HD2 LYS 40 HD2 LYS 40 -9.202 3.729 16.129 318 HD3 LYS 40 HD1 LYS 40 -9.368 2.546 14.832 319 HE2 LYS 40 HE2 LYS 40 -7.173 2.306 15.698 320 HE3 LYS 40 HE1 LYS 40 -7.016 3.133 14.149 321 HZ1 LYS 40 HZ1 LYS 40 -6.860 5.233 15.350 322 HZ2 LYS 40 HZ2 LYS 40 -5.631 4.171 15.807 323 HZ3 LYS 40 HZ3 LYS 40 -6.959 4.412 16.823 324 H GLY 41 HN GLY 41 -7.533 4.510 10.290 325 HA2 GLY 41 HA2 GLY 41 -6.434 7.072 9.802 326 HA3 GLY 41 HA1 GLY 41 -5.585 6.296 11.127 327 H THR 42 HN THR 42 -3.675 5.970 10.160 328 HA THR 42 HA THR 42 -3.455 4.773 7.539 329 HB THR 42 HB THR 42 -0.942 4.763 8.471 330 HG1 THR 42 HG1 THR 42 -1.828 7.147 9.633 331 HG21 THR 42 HG21 THR 42 -1.698 5.859 6.449 332 HG22 THR 42 HG22 THR 42 -0.701 6.964 7.397 333 HG23 THR 42 HG23 THR 42 -2.455 7.140 7.399 334 H ARG 43 HN ARG 43 -2.082 2.922 7.178 335 HA ARG 43 HA ARG 43 -1.934 1.005 9.385 336 HB2 ARG 43 HB2 ARG 43 -3.897 0.356 8.053 337 HB3 ARG 43 HB1 ARG 43 -2.942 0.443 6.585 338 HG2 ARG 43 HG2 ARG 43 -3.333 -1.864 7.419 339 HG3 ARG 43 HG1 ARG 43 -1.635 -1.437 7.209 340 HD2 ARG 43 HD2 ARG 43 -1.505 -0.959 9.638 341 HD3 ARG 43 HD1 ARG 43 -3.168 -1.520 9.806 342 HE ARG 43 HE ARG 43 -2.132 -3.651 8.698 343 HH11 ARG 43 HH11 ARG 43 -0.684 -1.613 11.154 344 HH12 ARG 43 HH12 ARG 43 0.258 -2.893 11.844 345 HH21 ARG 43 HH21 ARG 43 -0.888 -5.338 9.599 346 HH22 ARG 43 HH22 ARG 43 0.142 -5.020 10.955 347 H ILE 44 HN ILE 44 0.213 0.664 9.613 348 HA ILE 44 HA ILE 44 1.809 0.963 7.167 349 HB ILE 44 HB ILE 44 2.728 1.607 9.970 350 HG12 ILE 44 HG12 ILE 44 2.836 3.950 8.782 351 HG13 ILE 44 HG11 ILE 44 1.613 3.252 7.732 352 HG21 ILE 44 HG21 ILE 44 4.706 2.460 8.924 353 HG22 ILE 44 HG22 ILE 44 4.020 2.198 7.323 354 HG23 ILE 44 HG23 ILE 44 4.456 0.813 8.331 355 HD11 ILE 44 HD11 ILE 44 0.667 4.603 9.560 356 HD12 ILE 44 HD12 ILE 44 1.375 3.485 10.727 357 HD13 ILE 44 HD13 ILE 44 0.132 2.925 9.606 358 H ILE 45 HN ILE 45 3.091 -0.527 6.557 359 HA ILE 45 HA ILE 45 3.719 -2.774 8.335 360 HB ILE 45 HB ILE 45 3.466 -2.761 5.406 361 HG12 ILE 45 HG12 ILE 45 1.921 -4.516 7.013 362 HG13 ILE 45 HG11 ILE 45 1.496 -2.818 7.133 363 HG21 ILE 45 HG21 ILE 45 4.135 -5.047 7.197 364 HG22 ILE 45 HG22 ILE 45 5.231 -4.291 6.039 365 HG23 ILE 45 HG23 ILE 45 3.807 -5.162 5.468 366 HD11 ILE 45 HD11 ILE 45 1.269 -4.685 4.878 367 HD12 ILE 45 HD12 ILE 45 1.771 -3.032 4.514 368 HD13 ILE 45 HD13 ILE 45 0.232 -3.332 5.343 369 H LYS 46 HN LYS 46 5.908 -3.709 7.966 370 HA LYS 46 HA LYS 46 7.649 -2.041 6.369 371 HB2 LYS 46 HB2 LYS 46 9.370 -1.889 8.217 372 HB3 LYS 46 HB1 LYS 46 7.962 -0.864 8.380 373 HG2 LYS 46 HG2 LYS 46 8.117 -3.512 9.769 374 HG3 LYS 46 HG1 LYS 46 8.859 -2.070 10.458 375 HD2 LYS 46 HD2 LYS 46 5.941 -2.413 9.753 376 HD3 LYS 46 HD1 LYS 46 6.626 -2.440 11.378 377 HE2 LYS 46 HE2 LYS 46 6.656 -0.085 9.484 378 HE3 LYS 46 HE1 LYS 46 5.581 -0.283 10.861 379 HZ1 LYS 46 HZ1 LYS 46 7.470 -0.217 12.333 380 HZ2 LYS 46 HZ2 LYS 46 7.474 1.160 11.352 381 HZ3 LYS 46 HZ3 LYS 46 8.540 -0.109 11.029 382 H PHE 47 HN PHE 47 10.014 -2.902 6.601 383 HA PHE 47 HA PHE 47 10.438 -5.669 6.846 384 HB2 PHE 47 HB2 PHE 47 8.907 -5.711 4.873 385 HB3 PHE 47 HB1 PHE 47 10.008 -4.645 4.015 386 HD1 PHE 47 HD1 PHE 47 11.995 -5.526 2.916 387 HD2 PHE 47 HD2 PHE 47 9.573 -8.022 5.420 388 HE1 PHE 47 HE1 PHE 47 13.142 -7.505 2.069 389 HE2 PHE 47 HE2 PHE 47 10.740 -9.998 4.552 390 HZ PHE 47 HZ PHE 47 12.617 -9.680 2.866 391 H LYS 48 HN LYS 48 12.725 -6.094 5.949 392 HA LYS 48 HA LYS 48 14.221 -3.618 5.752 393 HB2 LYS 48 HB2 LYS 48 15.390 -4.047 7.906 394 HB3 LYS 48 HB1 LYS 48 13.679 -3.615 8.051 395 HG2 LYS 48 HG2 LYS 48 13.130 -6.001 8.324 396 HG3 LYS 48 HG1 LYS 48 14.842 -6.399 8.242 397 HD2 LYS 48 HD2 LYS 48 14.519 -6.351 10.512 398 HD3 LYS 48 HD1 LYS 48 15.011 -4.685 10.220 399 HE2 LYS 48 HE2 LYS 48 12.158 -5.637 10.421 400 HE3 LYS 48 HE1 LYS 48 13.059 -4.870 11.725 401 HZ1 LYS 48 HZ1 LYS 48 12.270 -3.657 9.141 402 HZ2 LYS 48 HZ2 LYS 48 13.335 -2.926 10.235 403 HZ3 LYS 48 HZ3 LYS 48 11.731 -3.227 10.685 404 H ASP 49 HN ASP 49 14.220 -5.683 3.955 405 HA ASP 49 HA ASP 49 17.024 -6.424 4.019 406 HB2 ASP 49 HB2 ASP 49 15.681 -8.330 5.095 407 HB3 ASP 49 HB1 ASP 49 14.991 -8.599 3.498 408 H ASP 50 HN ASP 50 15.574 -4.555 2.549 409 HA ASP 50 HA ASP 50 14.757 -5.692 0.033 410 HB2 ASP 50 HB2 ASP 50 14.952 -2.833 0.911 411 HB3 ASP 50 HB1 ASP 50 14.238 -3.371 -0.600 412 H GLY 51 HN GLY 51 17.625 -5.736 0.964 413 HA2 GLY 51 HA2 GLY 51 18.835 -4.396 -1.355 414 HA3 GLY 51 HA1 GLY 51 19.711 -5.012 0.041 415 H THR 52 HN THR 52 17.533 -7.312 -0.542 416 HA THR 52 HA THR 52 19.399 -8.843 -2.226 417 HB THR 52 HB THR 52 18.581 -10.829 -1.158 418 HG1 THR 52 HG1 THR 52 17.208 -9.613 0.897 419 HG21 THR 52 HG21 THR 52 19.358 -8.709 0.840 420 HG22 THR 52 HG22 THR 52 20.459 -9.712 -0.103 421 HG23 THR 52 HG23 THR 52 19.428 -10.449 1.124 422 H GLU 53 HN GLU 53 17.519 -11.023 -2.578 423 HA GLU 53 HA GLU 53 15.987 -10.053 -4.786 424 HB2 GLU 53 HB2 GLU 53 15.736 -12.738 -3.417 425 HB3 GLU 53 HB1 GLU 53 15.263 -12.333 -5.056 426 HG2 GLU 53 HG2 GLU 53 17.225 -13.496 -5.371 427 HG3 GLU 53 HG1 GLU 53 17.768 -11.821 -5.414 428 H ARG 54 HN ARG 54 15.552 -9.874 -1.559 429 HA ARG 54 HA ARG 54 12.749 -10.506 -1.378 430 HB2 ARG 54 HB2 ARG 54 14.722 -9.421 0.621 431 HB3 ARG 54 HB1 ARG 54 13.030 -9.722 0.985 432 HG2 ARG 54 HG2 ARG 54 13.314 -12.081 0.499 433 HG3 ARG 54 HG1 ARG 54 14.999 -11.801 0.056 434 HD2 ARG 54 HD2 ARG 54 15.445 -11.002 2.336 435 HD3 ARG 54 HD1 ARG 54 13.771 -11.333 2.768 436 HE ARG 54 HE ARG 54 14.319 -13.722 2.191 437 HH11 ARG 54 HH11 ARG 54 16.824 -11.484 3.214 438 HH12 ARG 54 HH12 ARG 54 17.782 -12.721 3.977 439 HH21 ARG 54 HH21 ARG 54 15.580 -15.338 3.192 440 HH22 ARG 54 HH22 ARG 54 17.072 -14.912 3.965 441 H SER 55 HN SER 55 14.073 -7.978 -2.811 442 HA SER 55 HA SER 55 12.857 -5.769 -1.454 443 HB2 SER 55 HB2 SER 55 13.753 -5.866 -4.327 444 HB3 SER 55 HB1 SER 55 13.658 -4.452 -3.273 445 HG SER 55 HG SER 55 15.503 -4.978 -2.353 446 H ARG 56 HN ARG 56 10.718 -7.678 -1.965 447 HA ARG 56 HA ARG 56 9.229 -6.094 -3.823 448 HB2 ARG 56 HB2 ARG 56 10.476 -7.831 -5.084 449 HB3 ARG 56 HB1 ARG 56 9.414 -9.020 -4.342 450 HG2 ARG 56 HG2 ARG 56 8.306 -6.727 -5.926 451 HG3 ARG 56 HG1 ARG 56 8.882 -8.191 -6.718 452 HD2 ARG 56 HD2 ARG 56 7.315 -9.514 -5.348 453 HD3 ARG 56 HD1 ARG 56 6.712 -8.022 -4.629 454 HE ARG 56 HE ARG 56 6.453 -7.689 -7.351 455 HH11 ARG 56 HH11 ARG 56 5.258 -9.938 -4.949 456 HH12 ARG 56 HH12 ARG 56 3.799 -10.285 -5.821 457 HH21 ARG 56 HH21 ARG 56 4.537 -8.146 -8.501 458 HH22 ARG 56 HH22 ARG 56 3.391 -9.270 -7.844 459 H TRP 57 HN TRP 57 7.580 -5.421 -2.894 460 HA TRP 57 HA TRP 57 5.890 -7.308 -1.386 461 HB2 TRP 57 HB2 TRP 57 5.356 -4.554 -0.698 462 HB3 TRP 57 HB1 TRP 57 5.816 -5.860 0.323 463 HD1 TRP 57 HD1 TRP 57 8.713 -6.385 0.015 464 HE1 TRP 57 HE1 TRP 57 10.577 -4.644 0.247 465 HE3 TRP 57 HE3 TRP 57 5.938 -2.192 -0.746 466 HZ2 TRP 57 HZ2 TRP 57 10.817 -1.854 0.147 467 HZ3 TRP 57 HZ3 TRP 57 7.070 -0.028 -0.660 468 HH2 TRP 57 HH2 TRP 57 9.445 0.138 -0.224 469 H ASN 58 HN ASN 58 3.561 -6.782 -1.392 470 HA ASN 58 HA ASN 58 2.563 -5.140 -3.592 471 HB2 ASN 58 HB2 ASN 58 3.108 -7.370 -4.587 472 HB3 ASN 58 HB1 ASN 58 1.990 -8.108 -3.451 473 HD21 ASN 58 HD21 ASN 58 0.661 -8.917 -5.015 474 HD22 ASN 58 HD22 ASN 58 -0.354 -7.918 -5.997 475 H CYS 59 HN CYS 59 0.552 -4.283 -3.058 476 HA CYS 59 HA CYS 59 -0.796 -5.404 -0.675 477 HB2 CYS 59 HB2 CYS 59 -1.387 -2.681 -1.846 478 HB3 CYS 59 HB1 CYS 59 -1.729 -3.253 -0.215 479 H LEU 60 HN LEU 60 -3.015 -6.041 -0.853 480 HA LEU 60 HA LEU 60 -4.245 -5.636 -3.499 481 HB2 LEU 60 HB2 LEU 60 -3.310 -7.880 -3.481 482 HB3 LEU 60 HB1 LEU 60 -4.043 -8.213 -1.925 483 HG LEU 60 HG LEU 60 -6.291 -7.980 -3.028 484 HD11 LEU 60 HD11 LEU 60 -5.625 -6.676 -4.964 485 HD12 LEU 60 HD12 LEU 60 -6.381 -8.190 -5.464 486 HD13 LEU 60 HD13 LEU 60 -4.628 -8.012 -5.540 487 HD21 LEU 60 HD21 LEU 60 -4.435 -10.121 -4.051 488 HD22 LEU 60 HD22 LEU 60 -6.195 -10.194 -4.087 489 HD23 LEU 60 HD23 LEU 60 -5.347 -10.153 -2.542 490 H PHE 61 HN PHE 61 -6.031 -4.517 -3.148 491 HA PHE 61 HA PHE 61 -7.408 -4.891 -0.595 492 HB2 PHE 61 HB2 PHE 61 -7.831 -2.800 -2.748 493 HB3 PHE 61 HB1 PHE 61 -8.772 -2.908 -1.279 494 HD1 PHE 61 HD1 PHE 61 -5.199 -2.653 -2.321 495 HD2 PHE 61 HD2 PHE 61 -8.239 -1.456 0.420 496 HE1 PHE 61 HE1 PHE 61 -3.655 -1.069 -1.298 497 HE2 PHE 61 HE2 PHE 61 -6.698 0.133 1.406 498 HZ PHE 61 HZ PHE 61 -4.397 0.329 0.578 499 H ARG 62 HN ARG 62 -9.551 -5.663 -0.576 500 HA ARG 62 HA ARG 62 -10.920 -6.263 -3.016 501 HB2 ARG 62 HB2 ARG 62 -10.592 -8.709 -3.005 502 HB3 ARG 62 HB1 ARG 62 -9.067 -7.868 -3.247 503 HG2 ARG 62 HG2 ARG 62 -8.483 -8.253 -0.902 504 HG3 ARG 62 HG1 ARG 62 -10.016 -9.097 -0.662 505 HD2 ARG 62 HD2 ARG 62 -9.332 -10.699 -2.434 506 HD3 ARG 62 HD1 ARG 62 -7.762 -9.904 -2.493 507 HE ARG 62 HE ARG 62 -8.084 -10.587 0.134 508 HH11 ARG 62 HH11 ARG 62 -8.181 -12.313 -2.901 509 HH12 ARG 62 HH12 ARG 62 -7.595 -13.800 -2.230 510 HH21 ARG 62 HH21 ARG 62 -7.313 -12.558 1.034 511 HH22 ARG 62 HH22 ARG 62 -7.093 -13.935 0.006 512 H GLN 63 HN GLN 63 -12.500 -8.255 -2.475 513 HA GLN 63 HA GLN 63 -13.335 -8.766 0.157 514 HB2 GLN 63 HB2 GLN 63 -13.974 -6.227 -0.368 515 HB3 GLN 63 HB1 GLN 63 -15.338 -6.986 -1.173 516 HG2 GLN 63 HG2 GLN 63 -14.601 -7.444 1.709 517 HG3 GLN 63 HG1 GLN 63 -15.783 -6.264 1.156 518 HE21 GLN 63 HE21 GLN 63 -17.749 -6.975 0.330 519 HE22 GLN 63 HE22 GLN 63 -18.326 -8.581 0.599 520 H GLY 64 HN GLY 64 -12.864 -10.445 -1.817 521 HA2 GLY 64 HA2 GLY 64 -13.787 -12.300 -2.786 522 HA3 GLY 64 HA1 GLY 64 -15.372 -11.781 -2.235 523 H ILE 65 HN ILE 65 -16.437 -10.140 -3.559 524 HA ILE 65 HA ILE 65 -17.065 -9.114 -5.472 525 HB ILE 65 HB ILE 65 -14.816 -8.092 -4.878 526 HG12 ILE 65 HG12 ILE 65 -14.786 -6.667 -6.876 527 HG13 ILE 65 HG11 ILE 65 -15.830 -7.804 -7.709 528 HG21 ILE 65 HG21 ILE 65 -13.443 -9.878 -5.695 529 HG22 ILE 65 HG22 ILE 65 -13.054 -8.364 -6.547 530 HG23 ILE 65 HG23 ILE 65 -14.036 -9.599 -7.336 531 HD11 ILE 65 HD11 ILE 65 -17.620 -7.346 -6.151 532 HD12 ILE 65 HD12 ILE 65 -17.032 -5.842 -6.858 533 HD13 ILE 65 HD13 ILE 65 -16.564 -6.287 -5.218 534 H ASN 66 HN ASN 66 -16.520 -9.109 -8.076 535 HA ASN 66 HA ASN 66 -16.939 -11.698 -9.130 536 HB2 ASN 66 HB2 ASN 66 -17.514 -9.435 -10.202 537 HB3 ASN 66 HB1 ASN 66 -15.816 -9.339 -10.656 538 HD21 ASN 66 HD21 ASN 66 -16.300 -9.366 -12.850 539 HD22 ASN 66 HD22 ASN 66 -16.843 -10.798 -13.655 540 H MET 67 HN MET 67 -14.894 -11.481 -11.346 541 HA MET 67 HA MET 67 -12.842 -13.040 -10.415 542 HB2 MET 67 HB2 MET 67 -13.129 -12.579 -12.796 543 HB3 MET 67 HB1 MET 67 -12.665 -10.901 -12.549 544 HG2 MET 67 HG2 MET 67 -10.440 -11.699 -11.774 545 HG3 MET 67 HG1 MET 67 -10.925 -13.333 -12.219 546 HE1 MET 67 HE1 MET 67 -8.316 -12.345 -14.978 547 HE2 MET 67 HE2 MET 67 -8.729 -13.503 -13.714 548 HE3 MET 67 HE3 MET 67 -8.290 -11.850 -13.285 549 H LYS 68 HN LYS 68 -12.680 -9.487 -10.814 550 HA LYS 68 HA LYS 68 -12.142 -8.878 -8.219 551 HB2 LYS 68 HB2 LYS 68 -9.717 -8.298 -8.219 552 HB3 LYS 68 HB1 LYS 68 -10.091 -10.012 -8.167 553 HG2 LYS 68 HG2 LYS 68 -9.416 -10.320 -10.415 554 HG3 LYS 68 HG1 LYS 68 -9.409 -8.585 -10.727 555 HD2 LYS 68 HD2 LYS 68 -7.531 -10.046 -8.873 556 HD3 LYS 68 HD1 LYS 68 -7.136 -9.483 -10.498 557 HE2 LYS 68 HE2 LYS 68 -7.859 -7.784 -8.110 558 HE3 LYS 68 HE1 LYS 68 -6.281 -7.911 -8.879 559 HZ1 LYS 68 HZ1 LYS 68 -7.500 -5.896 -9.520 560 HZ2 LYS 68 HZ2 LYS 68 -8.719 -6.847 -10.203 561 HZ3 LYS 68 HZ3 LYS 68 -7.157 -6.881 -10.849 562 H PHE 69 HN PHE 69 -13.482 -7.214 -8.860 563 HA PHE 69 HA PHE 69 -12.536 -5.008 -10.398 564 HB2 PHE 69 HB2 PHE 69 -14.596 -5.227 -8.212 565 HB3 PHE 69 HB1 PHE 69 -14.312 -3.760 -9.150 566 HD1 PHE 69 HD1 PHE 69 -14.172 -4.429 -11.836 567 HD2 PHE 69 HD2 PHE 69 -16.487 -6.342 -8.828 568 HE1 PHE 69 HE1 PHE 69 -15.743 -5.212 -13.555 569 HE2 PHE 69 HE2 PHE 69 -18.063 -7.135 -10.540 570 HZ PHE 69 HZ PHE 69 -17.657 -6.617 -12.918 571 H PHE 70 HN PHE 70 -11.907 -6.327 -7.433 572 HA PHE 70 HA PHE 70 -11.091 -4.111 -5.890 573 HB2 PHE 70 HB2 PHE 70 -11.152 -6.964 -5.668 574 HB3 PHE 70 HB1 PHE 70 -9.944 -6.126 -4.682 575 HD1 PHE 70 HD1 PHE 70 -13.245 -7.149 -4.860 576 HD2 PHE 70 HD2 PHE 70 -10.876 -3.862 -3.615 577 HE1 PHE 70 HE1 PHE 70 -15.006 -6.468 -3.384 578 HE2 PHE 70 HE2 PHE 70 -12.655 -3.141 -2.116 579 HZ PHE 70 HZ PHE 70 -14.697 -4.202 -2.038 580 H THR 71 HN THR 71 -8.849 -3.752 -5.076 581 HA THR 71 HA THR 71 -7.337 -3.441 -7.578 582 HB THR 71 HB THR 71 -8.213 -1.388 -6.281 583 HG1 THR 71 HG1 THR 71 -5.936 -1.822 -7.695 584 HG21 THR 71 HG21 THR 71 -7.538 -1.541 -4.101 585 HG22 THR 71 HG22 THR 71 -6.176 -0.634 -4.762 586 HG23 THR 71 HG23 THR 71 -6.045 -2.374 -4.517 587 H GLU 72 HN GLU 72 -5.206 -3.705 -7.749 588 HA GLU 72 HA GLU 72 -3.796 -4.835 -5.438 589 HB2 GLU 72 HB2 GLU 72 -4.090 -6.493 -7.206 590 HB3 GLU 72 HB1 GLU 72 -3.425 -5.377 -8.387 591 HG2 GLU 72 HG2 GLU 72 -1.283 -5.425 -7.122 592 HG3 GLU 72 HG1 GLU 72 -1.976 -6.684 -6.101 593 H VAL 73 HN VAL 73 -2.636 -3.188 -4.636 594 HA VAL 73 HA VAL 73 -1.404 -1.286 -6.494 595 HB VAL 73 HB VAL 73 -1.215 -0.978 -3.538 596 HG11 VAL 73 HG11 VAL 73 -1.286 0.868 -5.896 597 HG12 VAL 73 HG12 VAL 73 0.038 0.585 -4.764 598 HG13 VAL 73 HG13 VAL 73 -1.411 1.441 -4.236 599 HG21 VAL 73 HG21 VAL 73 -3.592 -1.459 -3.981 600 HG22 VAL 73 HG22 VAL 73 -3.623 -0.101 -5.110 601 HG23 VAL 73 HG23 VAL 73 -3.307 0.185 -3.390 602 H GLU 74 HN GLU 74 0.686 -1.599 -7.015 603 HA GLU 74 HA GLU 74 2.322 -3.517 -5.727 604 HB2 GLU 74 HB2 GLU 74 3.743 -1.286 -7.046 605 HB3 GLU 74 HB1 GLU 74 3.901 -3.014 -7.287 606 HG2 GLU 74 HG2 GLU 74 3.155 -2.231 -9.331 607 HG3 GLU 74 HG1 GLU 74 1.691 -2.845 -8.563 608 H ALA 75 HN ALA 75 2.664 -3.313 -3.669 609 HA ALA 75 HA ALA 75 2.887 -1.213 -1.972 610 HB1 ALA 75 HB1 ALA 75 3.143 -3.716 -1.514 611 HB2 ALA 75 HB2 ALA 75 4.122 -2.617 -0.547 612 HB3 ALA 75 HB3 ALA 75 4.849 -3.473 -1.912 613 H TYR 76 HN TYR 76 5.479 -2.690 -3.827 614 HA TYR 76 HA TYR 76 7.014 -0.178 -3.699 615 HB2 TYR 76 HB2 TYR 76 8.045 -2.214 -2.618 616 HB3 TYR 76 HB1 TYR 76 8.067 -2.968 -4.207 617 HD1 TYR 76 HD1 TYR 76 9.757 -2.386 -5.860 618 HD2 TYR 76 HD2 TYR 76 9.477 -0.223 -2.181 619 HE1 TYR 76 HE1 TYR 76 11.914 -1.321 -6.301 620 HE2 TYR 76 HE2 TYR 76 11.636 0.833 -2.634 621 HH TYR 76 HH TYR 76 13.681 0.364 -3.965 622 H ARG 77 HN ARG 77 7.589 0.690 -5.685 623 HA ARG 77 HA ARG 77 5.959 -0.196 -7.879 624 HB2 ARG 77 HB2 ARG 77 6.335 2.204 -7.311 625 HB3 ARG 77 HB1 ARG 77 8.016 2.021 -7.785 626 HG2 ARG 77 HG2 ARG 77 6.956 3.019 -9.613 627 HG3 ARG 77 HG1 ARG 77 7.147 1.325 -10.061 628 HD2 ARG 77 HD2 ARG 77 4.818 0.895 -9.456 629 HD3 ARG 77 HD1 ARG 77 4.628 2.576 -8.966 630 HE ARG 77 HE ARG 77 5.543 2.478 -11.626 631 HH11 ARG 77 HH11 ARG 77 2.671 1.616 -9.805 632 HH12 ARG 77 HH12 ARG 77 1.582 2.106 -11.069 633 HH21 ARG 77 HH21 ARG 77 4.096 3.083 -13.300 634 HH22 ARG 77 HH22 ARG 77 2.387 2.918 -13.051 635 HA PRO 78 HA PRO 78 9.084 -2.887 -9.517 636 HB2 PRO 78 HB2 PRO 78 7.933 -3.407 -11.899 637 HB3 PRO 78 HB1 PRO 78 7.386 -4.135 -10.388 638 HG2 PRO 78 HG2 PRO 78 6.267 -1.788 -11.869 639 HG3 PRO 78 HG1 PRO 78 5.408 -3.133 -11.096 640 HD2 PRO 78 HD2 PRO 78 5.648 -0.718 -9.922 641 HD3 PRO 78 HD1 PRO 78 5.625 -2.221 -8.982 642 H ASP 79 HN ASP 79 8.466 0.191 -10.546 643 HA ASP 79 HA ASP 79 10.391 0.212 -12.701 644 HB2 ASP 79 HB2 ASP 79 9.061 2.471 -11.226 645 HB3 ASP 79 HB1 ASP 79 10.115 2.670 -12.617 646 H LEU 80 HN LEU 80 12.366 -0.383 -12.013 647 HA LEU 80 HA LEU 80 13.162 0.144 -9.304 648 HB2 LEU 80 HB2 LEU 80 13.529 -2.019 -10.555 649 HB3 LEU 80 HB1 LEU 80 14.784 -1.181 -11.438 650 HG LEU 80 HG LEU 80 16.007 -0.795 -9.329 651 HD11 LEU 80 HD11 LEU 80 15.308 -2.026 -7.314 652 HD12 LEU 80 HD12 LEU 80 13.810 -2.478 -8.129 653 HD13 LEU 80 HD13 LEU 80 14.148 -0.782 -7.778 654 HD21 LEU 80 HD21 LEU 80 16.561 -2.726 -10.685 655 HD22 LEU 80 HD22 LEU 80 15.295 -3.669 -9.900 656 HD23 LEU 80 HD23 LEU 80 16.693 -3.128 -8.972 657 H LYS 81 HN LYS 81 13.263 1.959 -11.953 658 HA LYS 81 HA LYS 81 15.813 3.220 -11.663 659 HB2 LYS 81 HB2 LYS 81 14.440 3.330 -13.732 660 HB3 LYS 81 HB1 LYS 81 13.261 4.307 -12.874 661 HG2 LYS 81 HG2 LYS 81 14.935 6.056 -12.561 662 HG3 LYS 81 HG1 LYS 81 16.126 5.068 -13.410 663 HD2 LYS 81 HD2 LYS 81 14.720 5.117 -15.420 664 HD3 LYS 81 HD1 LYS 81 13.544 6.121 -14.569 665 HE2 LYS 81 HE2 LYS 81 14.982 7.475 -15.998 666 HE3 LYS 81 HE1 LYS 81 15.227 7.868 -14.298 667 HZ1 LYS 81 HZ1 LYS 81 16.975 6.063 -15.881 668 HZ2 LYS 81 HZ2 LYS 81 17.232 6.572 -14.289 669 HZ3 LYS 81 HZ3 LYS 81 17.311 7.688 -15.553 670 H HIS 82 HN HIS 82 13.025 3.107 -9.838 671 HA HIS 82 HA HIS 82 13.480 5.702 -8.553 672 HB2 HIS 82 HB2 HIS 82 11.227 3.714 -8.163 673 HB3 HIS 82 HB1 HIS 82 11.330 5.312 -7.432 674 HD1 HIS 82 HD1 HIS 82 10.553 3.567 -10.652 675 HD2 HIS 82 HD2 HIS 82 10.683 7.447 -9.134 676 HE1 HIS 82 HE1 HIS 82 9.417 5.015 -12.369 677 HE2 HIS 82 HE2 HIS 82 9.679 7.366 -11.518 678 HA PRO 83 HA PRO 83 15.358 3.050 -5.379 679 HB2 PRO 83 HB2 PRO 83 17.296 5.028 -4.822 680 HB3 PRO 83 HB1 PRO 83 17.530 3.569 -5.782 681 HG2 PRO 83 HG2 PRO 83 17.609 6.206 -6.732 682 HG3 PRO 83 HG1 PRO 83 17.500 4.740 -7.721 683 HD2 PRO 83 HD2 PRO 83 15.351 6.631 -6.886 684 HD3 PRO 83 HD1 PRO 83 15.517 5.693 -8.387 685 H LEU 84 HN LEU 84 14.203 3.106 -3.551 686 HA LEU 84 HA LEU 84 13.418 5.618 -2.359 687 HB2 LEU 84 HB2 LEU 84 12.831 2.755 -1.625 688 HB3 LEU 84 HB1 LEU 84 12.365 4.105 -0.615 689 HG LEU 84 HG LEU 84 10.925 4.986 -2.386 690 HD11 LEU 84 HD11 LEU 84 10.451 3.671 -4.389 691 HD12 LEU 84 HD12 LEU 84 11.720 2.531 -3.945 692 HD13 LEU 84 HD13 LEU 84 12.133 4.198 -4.347 693 HD21 LEU 84 HD21 LEU 84 9.245 3.189 -2.358 694 HD22 LEU 84 HD22 LEU 84 9.961 3.479 -0.774 695 HD23 LEU 84 HD23 LEU 84 10.465 2.086 -1.728 696 H CYS 85 HN CYS 85 14.321 2.912 -0.532 697 HA CYS 85 HA CYS 85 15.938 2.438 0.959 698 HB2 CYS 85 HB2 CYS 85 17.400 4.624 -0.494 699 HB3 CYS 85 HB1 CYS 85 18.117 3.701 0.815 700 H GLY 86 HN GLY 86 14.196 5.127 1.051 701 HA2 GLY 86 HA2 GLY 86 15.139 5.767 3.759 702 HA3 GLY 86 HA1 GLY 86 14.108 6.817 2.796 703 H LYS 87 HN LYS 87 12.058 5.538 2.005 704 HA LYS 87 HA LYS 87 11.067 3.464 3.668 705 HB2 LYS 87 HB2 LYS 87 9.053 4.759 4.433 706 HB3 LYS 87 HB1 LYS 87 10.547 5.024 5.312 707 HG2 LYS 87 HG2 LYS 87 9.471 7.150 5.033 708 HG3 LYS 87 HG1 LYS 87 10.889 7.120 3.988 709 HD2 LYS 87 HD2 LYS 87 9.379 6.489 2.094 710 HD3 LYS 87 HD1 LYS 87 8.010 6.744 3.175 711 HE2 LYS 87 HE2 LYS 87 10.063 8.861 2.572 712 HE3 LYS 87 HE1 LYS 87 8.580 8.663 1.644 713 HZ1 LYS 87 HZ1 LYS 87 8.210 10.333 3.259 714 HZ2 LYS 87 HZ2 LYS 87 8.828 9.374 4.512 715 HZ3 LYS 87 HZ3 LYS 87 7.361 8.961 3.779 716 H ARG 88 HN ARG 88 8.360 3.695 3.298 717 HA ARG 88 HA ARG 88 8.154 3.891 0.411 718 HB2 ARG 88 HB2 ARG 88 7.889 1.561 1.121 719 HB3 ARG 88 HB1 ARG 88 6.518 2.032 2.116 720 HG2 ARG 88 HG2 ARG 88 5.818 1.051 -0.026 721 HG3 ARG 88 HG1 ARG 88 5.286 2.717 0.144 722 HD2 ARG 88 HD2 ARG 88 7.219 3.450 -1.218 723 HD3 ARG 88 HD1 ARG 88 7.674 1.764 -1.443 724 HE ARG 88 HE ARG 88 5.152 1.779 -2.341 725 HH11 ARG 88 HH11 ARG 88 7.873 3.877 -3.064 726 HH12 ARG 88 HH12 ARG 88 7.354 4.193 -4.688 727 HH21 ARG 88 HH21 ARG 88 4.488 2.192 -4.487 728 HH22 ARG 88 HH22 ARG 88 5.436 3.249 -5.491 729 H TYR 89 HN TYR 89 5.916 4.272 -0.353 730 HA TYR 89 HA TYR 89 5.045 6.716 0.946 731 HB2 TYR 89 HB2 TYR 89 4.764 5.761 -1.912 732 HB3 TYR 89 HB1 TYR 89 4.216 7.319 -1.301 733 HD1 TYR 89 HD1 TYR 89 6.026 8.856 -0.261 734 HD2 TYR 89 HD2 TYR 89 6.908 5.544 -2.774 735 HE1 TYR 89 HE1 TYR 89 8.232 9.825 -0.752 736 HE2 TYR 89 HE2 TYR 89 9.116 6.498 -3.267 737 HH TYR 89 HH TYR 89 10.283 8.543 -3.233 738 H GLU 90 HN GLU 90 2.714 7.214 0.562 739 HA GLU 90 HA GLU 90 1.239 4.969 1.667 740 HB2 GLU 90 HB2 GLU 90 1.122 6.917 2.973 741 HB3 GLU 90 HB1 GLU 90 0.857 7.942 1.574 742 HG2 GLU 90 HG2 GLU 90 -1.369 6.812 1.303 743 HG3 GLU 90 HG1 GLU 90 -1.082 6.063 2.878 744 H LEU 91 HN LEU 91 -0.311 3.917 0.710 745 HA LEU 91 HA LEU 91 -1.548 5.109 -1.667 746 HB2 LEU 91 HB2 LEU 91 -2.008 2.264 -0.785 747 HB3 LEU 91 HB1 LEU 91 -2.295 2.975 -2.341 748 HG LEU 91 HG LEU 91 -0.455 1.542 -2.628 749 HD11 LEU 91 HD11 LEU 91 1.374 3.038 -3.253 750 HD12 LEU 91 HD12 LEU 91 0.602 4.344 -2.355 751 HD13 LEU 91 HD13 LEU 91 -0.197 3.653 -3.767 752 HD21 LEU 91 HD21 LEU 91 0.166 1.205 -0.309 753 HD22 LEU 91 HD22 LEU 91 0.845 2.831 -0.238 754 HD23 LEU 91 HD23 LEU 91 1.579 1.616 -1.281 755 H SER 92 HN SER 92 -3.395 6.100 -1.280 756 HA SER 92 HA SER 92 -4.563 5.629 1.370 757 HB2 SER 92 HB2 SER 92 -5.426 8.020 -0.060 758 HB3 SER 92 HB1 SER 92 -4.841 7.838 1.589 759 HG SER 92 HG SER 92 -2.923 8.426 0.970 760 H ALA 93 HN ALA 93 -6.387 4.731 1.514 761 HA ALA 93 HA ALA 93 -7.904 4.171 -0.880 762 HB1 ALA 93 HB1 ALA 93 -7.175 2.655 1.279 763 HB2 ALA 93 HB2 ALA 93 -8.383 2.229 0.057 764 HB3 ALA 93 HB3 ALA 93 -8.896 2.982 1.589 765 H ARG 94 HN ARG 94 -9.582 5.217 -1.397 766 HA ARG 94 HA ARG 94 -11.472 6.157 0.694 767 HB2 ARG 94 HB2 ARG 94 -10.838 7.691 -1.829 768 HB3 ARG 94 HB1 ARG 94 -12.027 8.111 -0.614 769 HG2 ARG 94 HG2 ARG 94 -10.230 8.479 1.012 770 HG3 ARG 94 HG1 ARG 94 -9.038 8.057 -0.220 771 HD2 ARG 94 HD2 ARG 94 -9.100 10.410 -0.179 772 HD3 ARG 94 HD1 ARG 94 -10.012 9.935 -1.610 773 HE ARG 94 HE ARG 94 -11.235 10.797 0.932 774 HH11 ARG 94 HH11 ARG 94 -11.328 10.543 -2.572 775 HH12 ARG 94 HH12 ARG 94 -12.744 11.534 -2.716 776 HH21 ARG 94 HH21 ARG 94 -13.071 12.112 0.717 777 HH22 ARG 94 HH22 ARG 94 -13.736 12.418 -0.857 778 H MET 95 HN MET 95 -12.891 4.627 0.339 779 HA MET 95 HA MET 95 -13.494 2.809 -1.023 780 HB2 MET 95 HB2 MET 95 -15.674 4.763 -0.673 781 HB3 MET 95 HB1 MET 95 -15.957 3.286 -1.561 782 HG2 MET 95 HG2 MET 95 -14.969 2.038 0.394 783 HG3 MET 95 HG1 MET 95 -15.082 3.539 1.309 784 HE1 MET 95 HE1 MET 95 -17.832 4.527 -0.386 785 HE2 MET 95 HE2 MET 95 -17.601 4.897 1.323 786 HE3 MET 95 HE3 MET 95 -19.076 4.093 0.786 787 H ASP 96 HN ASP 96 -14.248 5.781 -2.845 788 HA ASP 96 HA ASP 96 -14.915 4.646 -5.302 789 HB2 ASP 96 HB2 ASP 96 -15.170 7.038 -4.779 790 HB3 ASP 96 HB1 ASP 96 -13.420 7.228 -4.800 791 H ALA 97 HN ALA 97 -11.659 5.893 -4.383 792 HA ALA 97 HA ALA 97 -10.492 3.788 -6.059 793 HB1 ALA 97 HB1 ALA 97 -9.732 6.699 -6.285 794 HB2 ALA 97 HB2 ALA 97 -10.461 5.691 -7.536 795 HB3 ALA 97 HB3 ALA 97 -8.790 5.360 -6.993 796 H ILE 98 HN ILE 98 -8.100 3.814 -5.872 797 HA ILE 98 HA ILE 98 -7.209 4.298 -3.122 798 HB ILE 98 HB ILE 98 -6.326 2.361 -5.259 799 HG12 ILE 98 HG12 ILE 98 -8.206 1.950 -3.498 800 HG13 ILE 98 HG11 ILE 98 -7.006 0.690 -3.767 801 HG21 ILE 98 HG21 ILE 98 -4.225 3.092 -4.506 802 HG22 ILE 98 HG22 ILE 98 -4.539 1.703 -3.445 803 HG23 ILE 98 HG23 ILE 98 -4.782 3.353 -2.850 804 HD11 ILE 98 HD11 ILE 98 -7.349 0.862 -1.467 805 HD12 ILE 98 HD12 ILE 98 -7.228 2.633 -1.511 806 HD13 ILE 98 HD13 ILE 98 -5.792 1.631 -1.793 807 H TYR 99 HN TYR 99 -5.814 5.865 -2.838 808 HA TYR 99 HA TYR 99 -4.997 7.390 -5.189 809 HB2 TYR 99 HB2 TYR 99 -5.111 8.104 -2.250 810 HB3 TYR 99 HB1 TYR 99 -4.546 9.194 -3.510 811 HD1 TYR 99 HD1 TYR 99 -7.504 6.911 -3.262 812 HD2 TYR 99 HD2 TYR 99 -6.086 10.880 -3.829 813 HE1 TYR 99 HE1 TYR 99 -9.805 7.672 -3.627 814 HE2 TYR 99 HE2 TYR 99 -8.392 11.652 -4.195 815 HH TYR 99 HH TYR 99 -10.598 10.527 -5.014 816 H PHE 100 HN PHE 100 -2.890 8.031 -5.542 817 HA PHE 100 HA PHE 100 -0.870 6.450 -4.112 818 HB2 PHE 100 HB2 PHE 100 -1.160 6.354 -6.681 819 HB3 PHE 100 HB1 PHE 100 -0.430 7.955 -6.683 820 HD1 PHE 100 HD1 PHE 100 1.912 8.260 -6.117 821 HD2 PHE 100 HD2 PHE 100 0.127 4.398 -6.144 822 HE1 PHE 100 HE1 PHE 100 4.147 7.230 -6.103 823 HE2 PHE 100 HE2 PHE 100 2.357 3.363 -6.126 824 HZ PHE 100 HZ PHE 100 4.369 4.780 -6.104 825 H LYS 101 HN LYS 101 0.102 7.539 -2.533 826 HA LYS 101 HA LYS 101 0.488 10.440 -2.857 827 HB2 LYS 101 HB2 LYS 101 -1.009 10.096 -1.065 828 HB3 LYS 101 HB1 LYS 101 -0.077 8.749 -0.436 829 HG2 LYS 101 HG2 LYS 101 1.701 10.303 0.219 830 HG3 LYS 101 HG1 LYS 101 0.734 11.650 -0.391 831 HD2 LYS 101 HD2 LYS 101 -0.877 11.406 1.268 832 HD3 LYS 101 HD1 LYS 101 -0.399 9.748 1.623 833 HE2 LYS 101 HE2 LYS 101 1.771 10.672 2.485 834 HE3 LYS 101 HE1 LYS 101 1.062 12.279 2.329 835 HZ1 LYS 101 HZ1 LYS 101 -0.153 10.092 3.928 836 HZ2 LYS 101 HZ2 LYS 101 -0.612 11.722 3.898 837 HZ3 LYS 101 HZ3 LYS 101 0.870 11.280 4.577 838 H MET 102 HN MET 102 2.446 11.276 -2.634 839 HA MET 102 HA MET 102 4.625 9.610 -1.583 840 HB2 MET 102 HB2 MET 102 4.727 11.356 -4.054 841 HB3 MET 102 HB1 MET 102 6.130 10.616 -3.300 842 HG2 MET 102 HG2 MET 102 5.258 8.409 -3.781 843 HG3 MET 102 HG1 MET 102 3.797 9.116 -4.468 844 HE1 MET 102 HE1 MET 102 7.994 9.563 -6.346 845 HE2 MET 102 HE2 MET 102 7.675 8.688 -4.849 846 HE3 MET 102 HE3 MET 102 7.503 10.443 -4.898 847 H ASP 103 HN ASP 103 6.528 11.057 -0.908 848 HA ASP 103 HA ASP 103 5.746 13.064 0.830 849 HB2 ASP 103 HB2 ASP 103 8.366 12.942 -0.651 850 HB3 ASP 103 HB1 ASP 103 8.027 13.921 0.769 851 H GLU 104 HN GLU 104 5.474 15.210 0.718 852 HA GLU 104 HA GLU 104 4.938 17.232 -0.127 853 HB2 GLU 104 HB2 GLU 104 7.208 17.202 -1.013 854 HB3 GLU 104 HB1 GLU 104 6.625 16.378 -2.444 855 HG2 GLU 104 HG2 GLU 104 6.940 18.675 -2.969 856 HG3 GLU 104 HG1 GLU 104 5.212 18.333 -2.945 857 H ARG 105 HN ARG 105 4.552 14.527 -2.325 858 HA ARG 105 HA ARG 105 2.637 15.887 -4.008 859 HB2 ARG 105 HB2 ARG 105 3.417 12.972 -3.892 860 HB3 ARG 105 HB1 ARG 105 2.419 13.706 -5.134 861 HG2 ARG 105 HG2 ARG 105 4.341 15.162 -5.734 862 HG3 ARG 105 HG1 ARG 105 5.324 14.254 -4.583 863 HD2 ARG 105 HD2 ARG 105 4.816 12.184 -5.827 864 HD3 ARG 105 HD1 ARG 105 3.908 13.134 -7.001 865 HE ARG 105 HE ARG 105 6.453 14.233 -6.845 866 HH11 ARG 105 HH11 ARG 105 4.983 11.214 -7.818 867 HH12 ARG 105 HH12 ARG 105 6.217 10.841 -8.980 868 HH21 ARG 105 HH21 ARG 105 8.083 13.747 -8.360 869 HH22 ARG 105 HH22 ARG 105 7.984 12.286 -9.293 870 HA PRO 106 HA PRO 106 -0.869 14.787 -1.379 871 HB2 PRO 106 HB2 PRO 106 -2.410 16.008 -3.566 872 HB3 PRO 106 HB1 PRO 106 -2.334 16.464 -1.864 873 HG2 PRO 106 HG2 PRO 106 -1.221 17.973 -3.790 874 HG3 PRO 106 HG1 PRO 106 -0.507 17.831 -2.173 875 HD2 PRO 106 HD2 PRO 106 0.288 16.475 -4.722 876 HD3 PRO 106 HD1 PRO 106 1.312 17.181 -3.453 877 HA PRO 107 HA PRO 107 -1.880 10.923 -3.293 878 HB2 PRO 107 HB2 PRO 107 -4.382 10.653 -2.069 879 HB3 PRO 107 HB1 PRO 107 -2.844 10.093 -1.415 880 HG2 PRO 107 HG2 PRO 107 -4.389 12.553 -0.795 881 HG3 PRO 107 HG1 PRO 107 -3.376 11.563 0.270 882 HD2 PRO 107 HD2 PRO 107 -2.551 13.943 -0.670 883 HD3 PRO 107 HD1 PRO 107 -1.425 12.594 -0.422 884 H GLN 108 HN GLN 108 -2.561 10.685 -5.315 885 HA GLN 108 HA GLN 108 -5.063 12.015 -6.111 886 HB2 GLN 108 HB2 GLN 108 -4.209 11.948 -8.433 887 HB3 GLN 108 HB1 GLN 108 -3.228 12.946 -7.366 888 HG2 GLN 108 HG2 GLN 108 -1.596 11.144 -7.184 889 HG3 GLN 108 HG1 GLN 108 -2.584 10.138 -8.241 890 HE21 GLN 108 HE21 GLN 108 -2.733 10.661 -10.438 891 HE22 GLN 108 HE22 GLN 108 -1.581 11.704 -11.202 892 HA PRO 109 HA PRO 109 -6.942 8.058 -6.842 893 HB2 PRO 109 HB2 PRO 109 -8.149 9.403 -9.194 894 HB3 PRO 109 HB1 PRO 109 -8.942 8.556 -7.861 895 HG2 PRO 109 HG2 PRO 109 -9.015 11.206 -8.009 896 HG3 PRO 109 HG1 PRO 109 -8.795 10.395 -6.446 897 HD2 PRO 109 HD2 PRO 109 -6.767 11.752 -8.178 898 HD3 PRO 109 HD1 PRO 109 -6.938 11.773 -6.411 899 H LEU 110 HN LEU 110 -5.413 6.647 -7.604 900 HA LEU 110 HA LEU 110 -4.841 6.757 -10.479 901 HB2 LEU 110 HB2 LEU 110 -3.024 6.516 -8.175 902 HB3 LEU 110 HB1 LEU 110 -2.653 5.553 -9.586 903 HG LEU 110 HG LEU 110 -2.883 8.566 -9.478 904 HD11 LEU 110 HD11 LEU 110 -0.823 7.680 -8.512 905 HD12 LEU 110 HD12 LEU 110 -0.513 8.544 -10.013 906 HD13 LEU 110 HD13 LEU 110 -0.512 6.781 -9.994 907 HD21 LEU 110 HD21 LEU 110 -2.359 6.736 -11.814 908 HD22 LEU 110 HD22 LEU 110 -2.100 8.478 -11.834 909 HD23 LEU 110 HD23 LEU 110 -3.724 7.833 -11.606 910 H ASN 111 HN ASN 111 -5.803 4.939 -7.828 911 HA ASN 111 HA ASN 111 -5.916 2.514 -9.476 912 HB2 ASN 111 HB2 ASN 111 -4.746 2.721 -6.689 913 HB3 ASN 111 HB1 ASN 111 -5.371 1.202 -7.323 914 HD21 ASN 111 HD21 ASN 111 -2.655 2.119 -6.531 915 HD22 ASN 111 HD22 ASN 111 -1.647 1.772 -7.891 916 H LYS 112 HN LYS 112 -7.567 0.984 -8.264 917 HA LYS 112 HA LYS 112 -9.147 2.402 -6.374 918 HB2 LYS 112 HB2 LYS 112 -11.211 2.071 -7.670 919 HB3 LYS 112 HB1 LYS 112 -10.086 3.220 -8.317 920 HG2 LYS 112 HG2 LYS 112 -10.109 0.439 -9.366 921 HG3 LYS 112 HG1 LYS 112 -11.331 1.587 -9.908 922 HD2 LYS 112 HD2 LYS 112 -9.538 3.114 -10.636 923 HD3 LYS 112 HD1 LYS 112 -8.338 1.927 -10.128 924 HE2 LYS 112 HE2 LYS 112 -10.450 1.495 -12.238 925 HE3 LYS 112 HE1 LYS 112 -8.755 1.859 -12.550 926 HZ1 LYS 112 HZ1 LYS 112 -9.151 -0.494 -12.740 927 HZ2 LYS 112 HZ2 LYS 112 -9.803 -0.559 -11.185 928 HZ3 LYS 112 HZ3 LYS 112 -8.166 -0.202 -11.398 929 H TRP 113 HN TRP 113 -9.767 1.140 -4.913 930 HA TRP 113 HA TRP 113 -9.746 -1.691 -5.203 931 HB2 TRP 113 HB2 TRP 113 -10.703 -1.631 -2.873 932 HB3 TRP 113 HB1 TRP 113 -9.078 -1.008 -3.056 933 HD1 TRP 113 HD1 TRP 113 -11.032 1.801 -4.177 934 HE1 TRP 113 HE1 TRP 113 -11.574 3.421 -2.262 935 HE3 TRP 113 HE3 TRP 113 -9.951 -1.234 -0.230 936 HZ2 TRP 113 HZ2 TRP 113 -11.562 3.403 0.556 937 HZ3 TRP 113 HZ3 TRP 113 -10.236 -0.355 2.052 938 HH2 TRP 113 HH2 TRP 113 -11.027 1.916 2.425 939 H ARG 114 HN ARG 114 -11.162 -2.613 -6.245 940 HA ARG 114 HA ARG 114 -13.036 -3.421 -7.141 941 HB2 ARG 114 HB2 ARG 114 -15.064 -3.475 -6.004 942 HB3 ARG 114 HB1 ARG 114 -13.854 -3.395 -4.741 943 HG2 ARG 114 HG2 ARG 114 -14.315 -0.984 -4.489 944 HG3 ARG 114 HG1 ARG 114 -15.558 -1.114 -5.731 945 HD2 ARG 114 HD2 ARG 114 -16.801 -2.678 -4.321 946 HD3 ARG 114 HD1 ARG 114 -15.548 -2.564 -3.085 947 HE ARG 114 HE ARG 114 -16.527 0.007 -3.733 948 HH11 ARG 114 HH11 ARG 114 -17.440 -2.893 -2.001 949 HH12 ARG 114 HH12 ARG 114 -18.473 -2.052 -0.890 950 HH21 ARG 114 HH21 ARG 114 -17.871 1.117 -2.274 951 HH22 ARG 114 HH22 ARG 114 -18.729 0.229 -1.053 952 H SER 115 HN SER 115 -15.399 -2.558 -7.779 953 HA SER 115 HA SER 115 -15.096 -0.055 -9.188 954 HB2 SER 115 HB2 SER 115 -15.158 -2.664 -10.672 955 HB3 SER 115 HB1 SER 115 -15.127 -1.080 -11.408 956 HG SER 115 HG SER 115 -13.101 -1.137 -9.755 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 19.492 -1.489 4.393 2 H2 ALA 1 HT2 ALA 1 21.114 -1.017 4.520 3 H3 ALA 1 HT3 ALA 1 20.004 -0.011 3.739 4 HA ALA 1 HA ALA 1 20.539 0.817 5.933 5 HB1 ALA 1 HB1 ALA 1 17.719 -0.238 5.782 6 HB2 ALA 1 HB2 ALA 1 18.302 1.195 4.939 7 HB3 ALA 1 HB3 ALA 1 18.280 1.155 6.703 8 H MET 2 HN MET 2 21.050 0.390 8.017 9 HA MET 2 HA MET 2 20.619 -2.374 8.937 10 HB2 MET 2 HB2 MET 2 22.703 -2.080 10.289 11 HB3 MET 2 HB1 MET 2 22.954 -2.065 8.551 12 HG2 MET 2 HG2 MET 2 23.085 0.381 8.602 13 HG3 MET 2 HG1 MET 2 22.864 0.344 10.351 14 HE1 MET 2 HE1 MET 2 25.282 1.826 8.903 15 HE2 MET 2 HE2 MET 2 26.630 1.358 9.940 16 HE3 MET 2 HE3 MET 2 25.077 1.794 10.655 17 H GLY 3 HN GLY 3 21.068 0.958 10.175 18 HA2 GLY 3 HA2 GLY 3 19.688 0.277 12.647 19 HA3 GLY 3 HA1 GLY 3 20.328 1.858 12.208 20 H CYS 4 HN CYS 4 18.014 -0.405 10.846 21 HA CYS 4 HA CYS 4 15.775 1.303 10.793 22 HB2 CYS 4 HB2 CYS 4 17.822 1.849 8.850 23 HB3 CYS 4 HB1 CYS 4 16.401 1.227 8.034 24 H LYS 5 HN LYS 5 13.997 0.133 10.042 25 HA LYS 5 HA LYS 5 13.967 -2.471 9.185 26 HB2 LYS 5 HB2 LYS 5 12.286 -0.195 8.488 27 HB3 LYS 5 HB1 LYS 5 11.921 -1.785 7.849 28 HG2 LYS 5 HG2 LYS 5 11.027 -2.445 9.798 29 HG3 LYS 5 HG1 LYS 5 12.320 -1.715 10.749 30 HD2 LYS 5 HD2 LYS 5 10.031 -0.178 9.525 31 HD3 LYS 5 HD1 LYS 5 10.069 -0.747 11.194 32 HE2 LYS 5 HE2 LYS 5 12.198 0.552 11.477 33 HE3 LYS 5 HE1 LYS 5 11.907 1.248 9.885 34 HZ1 LYS 5 HZ1 LYS 5 9.793 2.120 10.707 35 HZ2 LYS 5 HZ2 LYS 5 11.105 2.703 11.610 36 HZ3 LYS 5 HZ3 LYS 5 10.126 1.481 12.243 37 H GLU 6 HN GLU 6 13.519 -3.176 6.722 38 HA GLU 6 HA GLU 6 14.577 -1.040 5.105 39 HB2 GLU 6 HB2 GLU 6 14.858 -3.933 4.390 40 HB3 GLU 6 HB1 GLU 6 15.357 -2.580 3.378 41 HG2 GLU 6 HG2 GLU 6 16.810 -1.851 5.279 42 HG3 GLU 6 HG1 GLU 6 16.462 -3.400 6.032 43 H ILE 7 HN ILE 7 12.050 -1.009 5.787 44 HA ILE 7 HA ILE 7 11.230 0.360 3.706 45 HB ILE 7 HB ILE 7 9.084 -0.785 3.152 46 HG12 ILE 7 HG12 ILE 7 8.763 -2.972 3.338 47 HG13 ILE 7 HG11 ILE 7 10.455 -3.287 2.921 48 HG21 ILE 7 HG21 ILE 7 10.836 -0.210 1.594 49 HG22 ILE 7 HG22 ILE 7 9.968 -1.687 1.146 50 HG23 ILE 7 HG23 ILE 7 11.545 -1.791 1.943 51 HD11 ILE 7 HD11 ILE 7 11.057 -2.345 4.984 52 HD12 ILE 7 HD12 ILE 7 10.225 -3.947 5.097 53 HD13 ILE 7 HD13 ILE 7 9.359 -2.444 5.508 54 H GLU 8 HN GLU 8 8.737 0.981 3.922 55 HA GLU 8 HA GLU 8 7.506 -0.003 6.345 56 HB2 GLU 8 HB2 GLU 8 8.895 2.386 6.545 57 HB3 GLU 8 HB1 GLU 8 7.218 2.881 6.346 58 HG2 GLU 8 HG2 GLU 8 6.576 1.432 8.199 59 HG3 GLU 8 HG1 GLU 8 8.264 0.954 8.381 60 H ILE 9 HN ILE 9 5.606 -0.644 5.562 61 HA ILE 9 HA ILE 9 4.538 0.656 3.161 62 HB ILE 9 HB ILE 9 3.217 -1.782 4.110 63 HG12 ILE 9 HG12 ILE 9 6.110 -1.674 4.087 64 HG13 ILE 9 HG11 ILE 9 5.033 -2.948 4.626 65 HG21 ILE 9 HG21 ILE 9 3.564 -2.451 1.776 66 HG22 ILE 9 HG22 ILE 9 4.429 -0.939 1.504 67 HG23 ILE 9 HG23 ILE 9 2.721 -0.910 1.947 68 HD11 ILE 9 HD11 ILE 9 6.534 -3.727 2.908 69 HD12 ILE 9 HD12 ILE 9 5.905 -2.502 1.806 70 HD13 ILE 9 HD13 ILE 9 4.847 -3.789 2.388 71 H VAL 10 HN VAL 10 2.590 1.744 3.108 72 HA VAL 10 HA VAL 10 0.917 1.450 5.506 73 HB VAL 10 HB VAL 10 1.838 3.458 6.098 74 HG11 VAL 10 HG11 VAL 10 2.448 5.257 4.523 75 HG12 VAL 10 HG12 VAL 10 1.951 4.221 3.186 76 HG13 VAL 10 HG13 VAL 10 3.305 3.748 4.211 77 HG21 VAL 10 HG21 VAL 10 0.256 5.274 5.527 78 HG22 VAL 10 HG22 VAL 10 -0.562 3.780 5.989 79 HG23 VAL 10 HG23 VAL 10 -0.447 4.236 4.288 80 H ILE 11 HN ILE 11 -1.112 1.111 5.135 81 HA ILE 11 HA ILE 11 -2.303 1.913 2.576 82 HB ILE 11 HB ILE 11 -2.943 -0.396 4.403 83 HG12 ILE 11 HG12 ILE 11 -1.121 -0.968 3.034 84 HG13 ILE 11 HG11 ILE 11 -2.538 -1.738 2.322 85 HG21 ILE 11 HG21 ILE 11 -5.047 0.389 3.725 86 HG22 ILE 11 HG22 ILE 11 -4.691 -1.021 2.717 87 HG23 ILE 11 HG23 ILE 11 -4.507 0.607 2.059 88 HD11 ILE 11 HD11 ILE 11 -1.200 0.772 1.425 89 HD12 ILE 11 HD12 ILE 11 -2.703 0.142 0.761 90 HD13 ILE 11 HD13 ILE 11 -1.209 -0.785 0.597 91 H LYS 12 HN LYS 12 -3.953 3.349 2.746 92 HA LYS 12 HA LYS 12 -5.059 3.859 5.432 93 HB2 LYS 12 HB2 LYS 12 -3.995 5.666 3.645 94 HB3 LYS 12 HB1 LYS 12 -5.737 5.779 3.304 95 HG2 LYS 12 HG2 LYS 12 -6.120 6.166 5.713 96 HG3 LYS 12 HG1 LYS 12 -4.372 6.201 5.933 97 HD2 LYS 12 HD2 LYS 12 -4.183 8.099 4.437 98 HD3 LYS 12 HD1 LYS 12 -5.913 8.029 4.096 99 HE2 LYS 12 HE2 LYS 12 -5.430 9.797 5.692 100 HE3 LYS 12 HE1 LYS 12 -6.391 8.526 6.447 101 HZ1 LYS 12 HZ1 LYS 12 -3.445 8.770 6.696 102 HZ2 LYS 12 HZ2 LYS 12 -4.441 7.676 7.514 103 HZ3 LYS 12 HZ3 LYS 12 -4.550 9.330 7.846 104 H ASN 13 HN ASN 13 -7.360 4.478 5.436 105 HA ASN 13 HA ASN 13 -8.945 3.683 3.148 106 HB2 ASN 13 HB2 ASN 13 -8.880 1.580 4.276 107 HB3 ASN 13 HB1 ASN 13 -9.137 2.335 5.843 108 HD21 ASN 13 HD21 ASN 13 -10.870 0.947 6.191 109 HD22 ASN 13 HD22 ASN 13 -12.407 1.224 5.450 110 H THR 14 HN THR 14 -10.562 5.051 2.895 111 HA THR 14 HA THR 14 -11.976 6.258 4.994 112 HB THR 14 HB THR 14 -10.139 7.607 5.484 113 HG1 THR 14 HG1 THR 14 -10.844 9.676 4.916 114 HG21 THR 14 HG21 THR 14 -9.894 8.085 2.541 115 HG22 THR 14 HG22 THR 14 -8.876 6.994 3.511 116 HG23 THR 14 HG23 THR 14 -8.833 8.739 3.798 117 H LEU 15 HN LEU 15 -13.638 5.448 3.568 118 HA LEU 15 HA LEU 15 -14.165 7.092 1.290 119 HB2 LEU 15 HB2 LEU 15 -15.499 4.672 2.447 120 HB3 LEU 15 HB1 LEU 15 -16.249 5.623 1.199 121 HG LEU 15 HG LEU 15 -14.407 5.228 -0.251 122 HD11 LEU 15 HD11 LEU 15 -13.276 3.735 1.984 123 HD12 LEU 15 HD12 LEU 15 -12.702 5.205 1.179 124 HD13 LEU 15 HD13 LEU 15 -12.690 3.659 0.315 125 HD21 LEU 15 HD21 LEU 15 -14.735 2.839 -0.665 126 HD22 LEU 15 HD22 LEU 15 -16.266 3.637 -0.300 127 HD23 LEU 15 HD23 LEU 15 -15.453 2.679 0.937 128 H GLY 16 HN GLY 16 -14.566 7.335 4.508 129 HA2 GLY 16 HA2 GLY 16 -15.828 8.941 5.695 130 HA3 GLY 16 HA1 GLY 16 -16.938 9.056 4.321 131 HA PRO 17 HA PRO 17 -17.219 6.060 8.380 132 HB2 PRO 17 HB2 PRO 17 -19.937 7.332 8.254 133 HB3 PRO 17 HB1 PRO 17 -19.023 6.785 9.663 134 HG2 PRO 17 HG2 PRO 17 -19.073 9.388 8.764 135 HG3 PRO 17 HG1 PRO 17 -17.781 8.691 9.752 136 HD2 PRO 17 HD2 PRO 17 -17.621 9.622 7.048 137 HD3 PRO 17 HD1 PRO 17 -16.340 8.876 8.021 138 H SER 18 HN SER 18 -17.861 4.006 8.276 139 HA SER 18 HA SER 18 -18.646 2.043 7.463 140 HB2 SER 18 HB2 SER 18 -20.453 3.668 5.654 141 HB3 SER 18 HB1 SER 18 -20.525 1.923 5.890 142 HG SER 18 HG SER 18 -20.646 2.817 8.284 143 H ARG 19 HN ARG 19 -16.393 2.221 6.790 144 HA ARG 19 HA ARG 19 -16.070 1.623 3.978 145 HB2 ARG 19 HB2 ARG 19 -13.866 3.315 5.038 146 HB3 ARG 19 HB1 ARG 19 -14.630 3.286 3.468 147 HG2 ARG 19 HG2 ARG 19 -15.177 5.363 4.156 148 HG3 ARG 19 HG1 ARG 19 -16.576 4.455 4.774 149 HD2 ARG 19 HD2 ARG 19 -14.210 5.531 6.234 150 HD3 ARG 19 HD1 ARG 19 -15.921 5.705 6.623 151 HE ARG 19 HE ARG 19 -14.873 3.013 6.818 152 HH11 ARG 19 HH11 ARG 19 -15.399 6.006 8.570 153 HH12 ARG 19 HH12 ARG 19 -15.417 5.232 10.121 154 HH21 ARG 19 HH21 ARG 19 -14.897 2.007 8.863 155 HH22 ARG 19 HH22 ARG 19 -15.131 2.968 10.287 156 H ILE 20 HN ILE 20 -15.197 -0.354 4.106 157 HA ILE 20 HA ILE 20 -12.767 -0.721 5.712 158 HB ILE 20 HB ILE 20 -14.917 -2.841 5.721 159 HG12 ILE 20 HG12 ILE 20 -15.557 -0.834 7.031 160 HG13 ILE 20 HG11 ILE 20 -15.485 -2.316 7.949 161 HG21 ILE 20 HG21 ILE 20 -13.575 -3.865 7.435 162 HG22 ILE 20 HG22 ILE 20 -12.431 -2.537 7.335 163 HG23 ILE 20 HG23 ILE 20 -12.621 -3.635 5.967 164 HD11 ILE 20 HD11 ILE 20 -13.531 -0.059 7.904 165 HD12 ILE 20 HD12 ILE 20 -13.197 -1.627 8.631 166 HD13 ILE 20 HD13 ILE 20 -14.508 -0.627 9.257 167 H LEU 21 HN LEU 21 -11.237 -1.797 4.530 168 HA LEU 21 HA LEU 21 -12.133 -3.776 2.600 169 HB2 LEU 21 HB2 LEU 21 -10.162 -2.908 1.045 170 HB3 LEU 21 HB1 LEU 21 -11.820 -2.318 0.896 171 HG LEU 21 HG LEU 21 -10.016 -0.586 0.710 172 HD11 LEU 21 HD11 LEU 21 -11.190 1.076 2.096 173 HD12 LEU 21 HD12 LEU 21 -12.085 -0.236 2.860 174 HD13 LEU 21 HD13 LEU 21 -12.277 0.073 1.135 175 HD21 LEU 21 HD21 LEU 21 -8.511 -1.401 2.445 176 HD22 LEU 21 HD22 LEU 21 -9.722 -1.036 3.675 177 HD23 LEU 21 HD23 LEU 21 -8.988 0.269 2.743 178 H GLN 22 HN GLN 22 -10.671 -5.394 2.155 179 HA GLN 22 HA GLN 22 -8.579 -5.700 4.166 180 HB2 GLN 22 HB2 GLN 22 -10.234 -7.458 4.121 181 HB3 GLN 22 HB1 GLN 22 -10.047 -7.647 2.384 182 HG2 GLN 22 HG2 GLN 22 -7.663 -8.292 2.852 183 HG3 GLN 22 HG1 GLN 22 -8.120 -8.399 4.549 184 HE21 GLN 22 HE21 GLN 22 -10.232 -9.247 1.881 185 HE22 GLN 22 HE22 GLN 22 -10.277 -10.944 2.211 186 H TYR 23 HN TYR 23 -6.524 -5.327 3.522 187 HA TYR 23 HA TYR 23 -5.939 -5.581 0.653 188 HB2 TYR 23 HB2 TYR 23 -4.147 -3.989 0.911 189 HB3 TYR 23 HB1 TYR 23 -5.627 -3.272 1.537 190 HD1 TYR 23 HD1 TYR 23 -5.961 -3.239 4.056 191 HD2 TYR 23 HD2 TYR 23 -2.285 -4.313 2.234 192 HE1 TYR 23 HE1 TYR 23 -4.793 -2.856 6.198 193 HE2 TYR 23 HE2 TYR 23 -1.105 -3.943 4.355 194 HH TYR 23 HH TYR 23 -1.382 -2.717 6.419 195 H HIS 24 HN HIS 24 -4.163 -6.736 0.008 196 HA HIS 24 HA HIS 24 -2.630 -8.065 2.140 197 HB2 HIS 24 HB2 HIS 24 -4.104 -9.660 0.975 198 HB3 HIS 24 HB1 HIS 24 -3.359 -9.222 -0.553 199 HD1 HIS 24 HD1 HIS 24 -0.876 -9.360 2.106 200 HD2 HIS 24 HD2 HIS 24 -2.663 -12.079 -0.499 201 HE1 HIS 24 HE1 HIS 24 0.619 -11.390 2.095 202 HE2 HIS 24 HE2 HIS 24 -0.622 -13.095 0.715 203 H CYS 25 HN CYS 25 -0.720 -7.058 2.170 204 HA CYS 25 HA CYS 25 0.498 -6.297 -0.339 205 HB2 CYS 25 HB2 CYS 25 1.529 -5.918 2.470 206 HB3 CYS 25 HB1 CYS 25 2.211 -5.204 1.011 207 H ARG 26 HN ARG 26 1.131 -8.019 -1.397 208 HA ARG 26 HA ARG 26 3.543 -9.341 -0.423 209 HB2 ARG 26 HB2 ARG 26 1.497 -10.824 0.094 210 HB3 ARG 26 HB1 ARG 26 1.361 -10.943 -1.652 211 HG2 ARG 26 HG2 ARG 26 3.733 -11.765 -1.677 212 HG3 ARG 26 HG1 ARG 26 3.580 -11.949 0.068 213 HD2 ARG 26 HD2 ARG 26 3.100 -14.062 -0.962 214 HD3 ARG 26 HD1 ARG 26 1.596 -13.401 -0.322 215 HE ARG 26 HE ARG 26 1.974 -12.682 -3.052 216 HH11 ARG 26 HH11 ARG 26 1.000 -15.350 -0.997 217 HH12 ARG 26 HH12 ARG 26 0.001 -16.080 -2.211 218 HH21 ARG 26 HH21 ARG 26 0.682 -13.643 -4.641 219 HH22 ARG 26 HH22 ARG 26 -0.180 -15.109 -4.292 220 H SER 27 HN SER 27 4.826 -8.826 -2.091 221 HA SER 27 HA SER 27 4.697 -10.355 -4.397 222 HB2 SER 27 HB2 SER 27 3.951 -7.481 -4.855 223 HB3 SER 27 HB1 SER 27 4.818 -8.403 -6.080 224 HG SER 27 HG SER 27 2.379 -9.265 -4.909 225 H GLY 28 HN GLY 28 6.763 -10.872 -3.912 226 HA2 GLY 28 HA2 GLY 28 9.009 -9.760 -4.761 227 HA3 GLY 28 HA1 GLY 28 8.693 -8.707 -3.364 228 H ASN 29 HN ASN 29 7.963 -12.155 -3.530 229 HA ASN 29 HA ASN 29 8.759 -13.987 -2.480 230 HB2 ASN 29 HB2 ASN 29 11.278 -12.344 -2.209 231 HB3 ASN 29 HB1 ASN 29 11.153 -14.041 -1.756 232 HD21 ASN 29 HD21 ASN 29 12.869 -12.841 -3.728 233 HD22 ASN 29 HD22 ASN 29 12.479 -13.584 -5.238 234 H THR 30 HN THR 30 8.151 -11.155 -0.938 235 HA THR 30 HA THR 30 8.505 -12.377 1.709 236 HB THR 30 HB THR 30 8.214 -9.877 2.432 237 HG1 THR 30 HG1 THR 30 7.766 -9.116 0.303 238 HG21 THR 30 HG21 THR 30 10.239 -11.210 2.777 239 HG22 THR 30 HG22 THR 30 10.638 -9.560 2.298 240 HG23 THR 30 HG23 THR 30 10.747 -10.871 1.123 241 H ASN 31 HN ASN 31 6.726 -12.793 2.869 242 HA ASN 31 HA ASN 31 4.178 -11.761 1.854 243 HB2 ASN 31 HB2 ASN 31 3.301 -14.177 2.264 244 HB3 ASN 31 HB1 ASN 31 4.147 -13.801 0.773 245 HD21 ASN 31 HD21 ASN 31 5.582 -14.369 3.966 246 HD22 ASN 31 HD22 ASN 31 6.456 -15.787 3.499 247 H VAL 32 HN VAL 32 3.660 -10.505 3.550 248 HA VAL 32 HA VAL 32 2.338 -11.810 5.610 249 HB VAL 32 HB VAL 32 4.306 -12.220 6.723 250 HG11 VAL 32 HG11 VAL 32 4.982 -9.357 6.573 251 HG12 VAL 32 HG12 VAL 32 5.313 -10.482 5.268 252 HG13 VAL 32 HG13 VAL 32 6.044 -10.743 6.856 253 HG21 VAL 32 HG21 VAL 32 2.533 -11.402 8.202 254 HG22 VAL 32 HG22 VAL 32 3.067 -9.743 7.936 255 HG23 VAL 32 HG23 VAL 32 4.116 -10.884 8.778 256 H GLY 33 HN GLY 33 0.527 -10.636 5.221 257 HA2 GLY 33 HA2 GLY 33 0.052 -8.228 6.402 258 HA3 GLY 33 HA1 GLY 33 0.714 -7.796 4.833 259 H VAL 34 HN VAL 34 -1.858 -9.767 6.318 260 HA VAL 34 HA VAL 34 -3.614 -8.710 4.198 261 HB VAL 34 HB VAL 34 -4.073 -11.366 5.555 262 HG11 VAL 34 HG11 VAL 34 -5.698 -11.650 3.716 263 HG12 VAL 34 HG12 VAL 34 -5.332 -10.011 3.171 264 HG13 VAL 34 HG13 VAL 34 -6.071 -10.269 4.750 265 HG21 VAL 34 HG21 VAL 34 -2.072 -11.569 4.218 266 HG22 VAL 34 HG22 VAL 34 -2.884 -10.814 2.845 267 HG23 VAL 34 HG23 VAL 34 -3.409 -12.399 3.419 268 H GLN 35 HN GLN 35 -4.836 -7.180 5.245 269 HA GLN 35 HA GLN 35 -6.355 -7.947 7.546 270 HB2 GLN 35 HB2 GLN 35 -4.368 -7.248 8.649 271 HB3 GLN 35 HB1 GLN 35 -4.187 -5.855 7.588 272 HG2 GLN 35 HG2 GLN 35 -5.919 -4.719 8.580 273 HG3 GLN 35 HG1 GLN 35 -6.558 -6.175 9.322 274 HE21 GLN 35 HE21 GLN 35 -5.848 -3.610 10.538 275 HE22 GLN 35 HE22 GLN 35 -4.665 -3.963 11.749 276 H TYR 36 HN TYR 36 -8.173 -6.695 7.805 277 HA TYR 36 HA TYR 36 -8.829 -4.785 5.747 278 HB2 TYR 36 HB2 TYR 36 -11.026 -4.716 6.694 279 HB3 TYR 36 HB1 TYR 36 -10.525 -6.396 6.525 280 HD1 TYR 36 HD1 TYR 36 -9.626 -7.565 8.529 281 HD2 TYR 36 HD2 TYR 36 -11.643 -3.877 8.713 282 HE1 TYR 36 HE1 TYR 36 -10.041 -7.956 10.921 283 HE2 TYR 36 HE2 TYR 36 -12.094 -4.213 11.121 284 HH TYR 36 HH TYR 36 -12.276 -6.098 12.701 285 H LEU 37 HN LEU 37 -9.022 -2.593 6.035 286 HA LEU 37 HA LEU 37 -8.151 -1.626 8.669 287 HB2 LEU 37 HB2 LEU 37 -6.544 -1.070 6.933 288 HB3 LEU 37 HB1 LEU 37 -7.812 -0.374 5.942 289 HG LEU 37 HG LEU 37 -8.145 1.392 7.647 290 HD11 LEU 37 HD11 LEU 37 -6.421 1.702 9.372 291 HD12 LEU 37 HD12 LEU 37 -5.746 0.130 8.952 292 HD13 LEU 37 HD13 LEU 37 -7.375 0.241 9.618 293 HD21 LEU 37 HD21 LEU 37 -6.073 2.610 7.173 294 HD22 LEU 37 HD22 LEU 37 -6.729 1.819 5.740 295 HD23 LEU 37 HD23 LEU 37 -5.346 1.119 6.578 296 H ASN 38 HN ASN 38 -9.241 0.020 9.644 297 HA ASN 38 HA ASN 38 -11.848 0.730 8.516 298 HB2 ASN 38 HB2 ASN 38 -10.756 1.232 11.301 299 HB3 ASN 38 HB1 ASN 38 -12.395 1.540 10.764 300 HD21 ASN 38 HD21 ASN 38 -13.354 0.226 12.249 301 HD22 ASN 38 HD22 ASN 38 -13.222 -1.497 12.220 302 H PHE 39 HN PHE 39 -12.491 3.045 8.809 303 HA PHE 39 HA PHE 39 -10.327 4.699 7.852 304 HB2 PHE 39 HB2 PHE 39 -12.236 4.958 6.550 305 HB3 PHE 39 HB1 PHE 39 -13.280 4.998 7.952 306 HD1 PHE 39 HD1 PHE 39 -10.214 7.022 7.602 307 HD2 PHE 39 HD2 PHE 39 -14.484 6.992 7.425 308 HE1 PHE 39 HE1 PHE 39 -10.244 9.479 7.455 309 HE2 PHE 39 HE2 PHE 39 -14.497 9.446 7.272 310 HZ PHE 39 HZ PHE 39 -12.443 10.695 7.441 311 H LYS 40 HN LYS 40 -9.039 5.376 9.387 312 HA LYS 40 HA LYS 40 -9.950 7.558 10.969 313 HB2 LYS 40 HB2 LYS 40 -10.503 5.668 12.480 314 HB3 LYS 40 HB1 LYS 40 -8.815 5.189 12.437 315 HG2 LYS 40 HG2 LYS 40 -8.140 7.203 13.535 316 HG3 LYS 40 HG1 LYS 40 -9.775 7.858 13.426 317 HD2 LYS 40 HD2 LYS 40 -10.594 6.101 14.899 318 HD3 LYS 40 HD1 LYS 40 -8.977 5.396 14.978 319 HE2 LYS 40 HE2 LYS 40 -9.512 6.758 16.959 320 HE3 LYS 40 HE1 LYS 40 -8.126 7.380 16.066 321 HZ1 LYS 40 HZ1 LYS 40 -9.717 9.108 16.795 322 HZ2 LYS 40 HZ2 LYS 40 -10.886 8.433 15.777 323 HZ3 LYS 40 HZ3 LYS 40 -9.469 9.086 15.126 324 H GLY 41 HN GLY 41 -7.301 5.183 10.784 325 HA2 GLY 41 HA2 GLY 41 -5.472 7.459 10.394 326 HA3 GLY 41 HA1 GLY 41 -5.064 6.112 11.442 327 H THR 42 HN THR 42 -3.698 4.758 10.580 328 HA THR 42 HA THR 42 -3.855 4.064 7.729 329 HB THR 42 HB THR 42 -1.214 4.106 7.970 330 HG1 THR 42 HG1 THR 42 -0.615 5.979 9.185 331 HG21 THR 42 HG21 THR 42 -2.932 6.515 7.382 332 HG22 THR 42 HG22 THR 42 -2.460 5.252 6.240 333 HG23 THR 42 HG23 THR 42 -1.241 6.334 6.915 334 H ARG 43 HN ARG 43 -2.388 2.168 7.271 335 HA ARG 43 HA ARG 43 -2.169 0.384 9.596 336 HB2 ARG 43 HB2 ARG 43 -3.870 0.062 7.345 337 HB3 ARG 43 HB1 ARG 43 -2.579 -1.116 7.198 338 HG2 ARG 43 HG2 ARG 43 -4.251 -0.791 9.676 339 HG3 ARG 43 HG1 ARG 43 -4.623 -1.928 8.382 340 HD2 ARG 43 HD2 ARG 43 -3.474 -3.201 9.970 341 HD3 ARG 43 HD1 ARG 43 -2.263 -2.835 8.744 342 HE ARG 43 HE ARG 43 -2.351 -1.012 10.999 343 HH11 ARG 43 HH11 ARG 43 -0.924 -3.894 9.612 344 HH12 ARG 43 HH12 ARG 43 0.488 -3.832 10.617 345 HH21 ARG 43 HH21 ARG 43 -0.504 -0.938 12.340 346 HH22 ARG 43 HH22 ARG 43 0.715 -2.164 12.186 347 H ILE 44 HN ILE 44 -0.027 0.068 9.882 348 HA ILE 44 HA ILE 44 1.608 0.327 7.465 349 HB ILE 44 HB ILE 44 2.346 1.213 10.247 350 HG12 ILE 44 HG12 ILE 44 2.539 3.386 8.726 351 HG13 ILE 44 HG11 ILE 44 1.332 2.531 7.786 352 HG21 ILE 44 HG21 ILE 44 4.230 0.285 8.859 353 HG22 ILE 44 HG22 ILE 44 4.404 1.988 9.303 354 HG23 ILE 44 HG23 ILE 44 3.871 1.554 7.679 355 HD11 ILE 44 HD11 ILE 44 -0.156 2.457 9.678 356 HD12 ILE 44 HD12 ILE 44 0.350 4.120 9.381 357 HD13 ILE 44 HD13 ILE 44 1.068 3.203 10.705 358 H ILE 45 HN ILE 45 2.576 -1.286 6.844 359 HA ILE 45 HA ILE 45 3.411 -3.469 8.524 360 HB ILE 45 HB ILE 45 3.671 -2.969 5.639 361 HG12 ILE 45 HG12 ILE 45 1.821 -4.748 7.102 362 HG13 ILE 45 HG11 ILE 45 1.427 -3.141 6.532 363 HG21 ILE 45 HG21 ILE 45 4.037 -5.549 7.108 364 HG22 ILE 45 HG22 ILE 45 5.360 -4.571 6.481 365 HG23 ILE 45 HG23 ILE 45 4.196 -5.300 5.374 366 HD11 ILE 45 HD11 ILE 45 2.259 -3.966 4.282 367 HD12 ILE 45 HD12 ILE 45 0.653 -4.463 4.831 368 HD13 ILE 45 HD13 ILE 45 2.016 -5.574 4.966 369 H LYS 46 HN LYS 46 5.659 -4.201 8.438 370 HA LYS 46 HA LYS 46 7.576 -2.418 7.284 371 HB2 LYS 46 HB2 LYS 46 8.727 -1.686 9.196 372 HB3 LYS 46 HB1 LYS 46 7.034 -1.429 9.581 373 HG2 LYS 46 HG2 LYS 46 8.291 -3.979 10.450 374 HG3 LYS 46 HG1 LYS 46 8.738 -2.504 11.299 375 HD2 LYS 46 HD2 LYS 46 6.968 -3.219 12.569 376 HD3 LYS 46 HD1 LYS 46 6.145 -2.158 11.430 377 HE2 LYS 46 HE2 LYS 46 4.936 -4.259 11.737 378 HE3 LYS 46 HE1 LYS 46 5.503 -4.077 10.081 379 HZ1 LYS 46 HZ1 LYS 46 7.282 -5.600 10.509 380 HZ2 LYS 46 HZ2 LYS 46 5.836 -6.325 10.998 381 HZ3 LYS 46 HZ3 LYS 46 6.892 -5.688 12.153 382 H PHE 47 HN PHE 47 9.772 -3.243 7.377 383 HA PHE 47 HA PHE 47 10.252 -5.983 8.065 384 HB2 PHE 47 HB2 PHE 47 8.822 -5.567 5.635 385 HB3 PHE 47 HB1 PHE 47 10.470 -6.000 5.198 386 HD1 PHE 47 HD1 PHE 47 8.566 -7.189 8.150 387 HD2 PHE 47 HD2 PHE 47 10.153 -8.155 4.319 388 HE1 PHE 47 HE1 PHE 47 8.022 -9.553 8.523 389 HE2 PHE 47 HE2 PHE 47 9.616 -10.518 4.694 390 HZ PHE 47 HZ PHE 47 8.548 -11.225 6.796 391 H LYS 48 HN LYS 48 12.448 -6.604 6.652 392 HA LYS 48 HA LYS 48 14.093 -4.297 6.111 393 HB2 LYS 48 HB2 LYS 48 15.261 -4.184 8.230 394 HB3 LYS 48 HB1 LYS 48 13.528 -4.045 8.520 395 HG2 LYS 48 HG2 LYS 48 13.417 -6.320 9.294 396 HG3 LYS 48 HG1 LYS 48 15.121 -6.570 8.908 397 HD2 LYS 48 HD2 LYS 48 15.770 -4.933 10.568 398 HD3 LYS 48 HD1 LYS 48 14.076 -4.568 10.906 399 HE2 LYS 48 HE2 LYS 48 15.038 -6.057 12.596 400 HE3 LYS 48 HE1 LYS 48 13.724 -6.829 11.711 401 HZ1 LYS 48 HZ1 LYS 48 15.381 -7.977 10.355 402 HZ2 LYS 48 HZ2 LYS 48 15.567 -8.341 11.993 403 HZ3 LYS 48 HZ3 LYS 48 16.629 -7.258 11.247 404 H ASP 49 HN ASP 49 16.479 -5.167 7.149 405 HA ASP 49 HA ASP 49 18.153 -6.511 6.013 406 HB2 ASP 49 HB2 ASP 49 18.451 -6.338 8.371 407 HB3 ASP 49 HB1 ASP 49 17.224 -7.562 8.677 408 H ASP 50 HN ASP 50 18.151 -7.823 4.387 409 HA ASP 50 HA ASP 50 17.906 -9.648 3.086 410 HB2 ASP 50 HB2 ASP 50 18.962 -10.730 5.092 411 HB3 ASP 50 HB1 ASP 50 17.341 -11.183 5.595 412 H GLY 51 HN GLY 51 15.802 -8.103 2.996 413 HA2 GLY 51 HA2 GLY 51 13.581 -10.044 2.827 414 HA3 GLY 51 HA1 GLY 51 13.328 -8.365 3.287 415 H THR 52 HN THR 52 15.777 -8.657 1.101 416 HA THR 52 HA THR 52 16.135 -7.950 -0.984 417 HB THR 52 HB THR 52 14.729 -8.685 -2.785 418 HG1 THR 52 HG1 THR 52 12.860 -8.947 -0.846 419 HG21 THR 52 HG21 THR 52 15.364 -10.769 -0.710 420 HG22 THR 52 HG22 THR 52 16.440 -10.159 -1.967 421 HG23 THR 52 HG23 THR 52 15.023 -11.112 -2.407 422 H GLU 53 HN GLU 53 16.156 -6.097 -1.843 423 HA GLU 53 HA GLU 53 14.182 -4.153 -0.990 424 HB2 GLU 53 HB2 GLU 53 16.830 -3.849 -2.423 425 HB3 GLU 53 HB1 GLU 53 15.848 -2.523 -1.820 426 HG2 GLU 53 HG2 GLU 53 16.243 -3.087 0.415 427 HG3 GLU 53 HG1 GLU 53 16.819 -4.697 -0.005 428 H ARG 54 HN ARG 54 15.328 -5.692 -3.898 429 HA ARG 54 HA ARG 54 13.915 -3.874 -5.649 430 HB2 ARG 54 HB2 ARG 54 14.781 -5.323 -7.458 431 HB3 ARG 54 HB1 ARG 54 16.052 -4.753 -6.383 432 HG2 ARG 54 HG2 ARG 54 16.098 -6.888 -5.253 433 HG3 ARG 54 HG1 ARG 54 14.756 -7.464 -6.235 434 HD2 ARG 54 HD2 ARG 54 16.142 -7.238 -8.243 435 HD3 ARG 54 HD1 ARG 54 17.484 -6.676 -7.247 436 HE ARG 54 HE ARG 54 16.577 -9.164 -6.287 437 HH11 ARG 54 HH11 ARG 54 18.308 -7.774 -8.983 438 HH12 ARG 54 HH12 ARG 54 19.207 -9.217 -9.316 439 HH21 ARG 54 HH21 ARG 54 17.758 -11.069 -6.711 440 HH22 ARG 54 HH22 ARG 54 18.893 -11.097 -8.025 441 H SER 55 HN SER 55 13.408 -7.051 -4.263 442 HA SER 55 HA SER 55 11.530 -7.932 -6.185 443 HB2 SER 55 HB2 SER 55 11.920 -8.918 -3.360 444 HB3 SER 55 HB1 SER 55 11.122 -9.789 -4.670 445 HG SER 55 HG SER 55 13.493 -10.182 -4.149 446 H ARG 56 HN ARG 56 11.134 -6.604 -2.934 447 HA ARG 56 HA ARG 56 9.728 -5.138 -2.150 448 HB2 ARG 56 HB2 ARG 56 8.926 -3.577 -3.578 449 HB3 ARG 56 HB1 ARG 56 10.090 -4.378 -4.602 450 HG2 ARG 56 HG2 ARG 56 8.183 -5.760 -5.508 451 HG3 ARG 56 HG1 ARG 56 7.095 -4.651 -4.673 452 HD2 ARG 56 HD2 ARG 56 7.902 -2.798 -5.945 453 HD3 ARG 56 HD1 ARG 56 9.191 -3.774 -6.645 454 HE ARG 56 HE ARG 56 7.317 -5.082 -7.716 455 HH11 ARG 56 HH11 ARG 56 6.871 -1.730 -6.808 456 HH12 ARG 56 HH12 ARG 56 5.790 -1.381 -8.133 457 HH21 ARG 56 HH21 ARG 56 5.885 -4.625 -9.444 458 HH22 ARG 56 HH22 ARG 56 5.227 -3.028 -9.608 459 H TRP 57 HN TRP 57 7.083 -4.462 -2.752 460 HA TRP 57 HA TRP 57 5.557 -6.894 -2.145 461 HB2 TRP 57 HB2 TRP 57 5.537 -4.316 -0.539 462 HB3 TRP 57 HB1 TRP 57 4.338 -5.581 -0.367 463 HD1 TRP 57 HD1 TRP 57 8.200 -5.952 -0.432 464 HE1 TRP 57 HE1 TRP 57 8.929 -7.090 1.743 465 HE3 TRP 57 HE3 TRP 57 3.658 -6.247 1.866 466 HZ2 TRP 57 HZ2 TRP 57 7.733 -7.988 4.134 467 HZ3 TRP 57 HZ3 TRP 57 3.536 -7.255 4.102 468 HH2 TRP 57 HH2 TRP 57 5.534 -8.106 5.211 469 H ASN 58 HN ASN 58 3.401 -6.793 -2.967 470 HA ASN 58 HA ASN 58 2.484 -4.114 -3.823 471 HB2 ASN 58 HB2 ASN 58 2.139 -6.743 -5.280 472 HB3 ASN 58 HB1 ASN 58 1.100 -5.356 -5.584 473 HD21 ASN 58 HD21 ASN 58 2.989 -6.750 -7.333 474 HD22 ASN 58 HD22 ASN 58 4.097 -5.544 -7.887 475 H CYS 59 HN CYS 59 0.355 -3.629 -3.263 476 HA CYS 59 HA CYS 59 -0.799 -5.497 -1.311 477 HB2 CYS 59 HB2 CYS 59 -1.307 -2.532 -1.602 478 HB3 CYS 59 HB1 CYS 59 -1.877 -3.575 -0.300 479 H LEU 60 HN LEU 60 -2.820 -6.285 -1.520 480 HA LEU 60 HA LEU 60 -4.249 -5.557 -3.985 481 HB2 LEU 60 HB2 LEU 60 -3.724 -8.260 -2.740 482 HB3 LEU 60 HB1 LEU 60 -5.026 -8.007 -3.879 483 HG LEU 60 HG LEU 60 -3.339 -7.328 -5.587 484 HD11 LEU 60 HD11 LEU 60 -0.993 -7.887 -5.215 485 HD12 LEU 60 HD12 LEU 60 -1.351 -8.279 -3.534 486 HD13 LEU 60 HD13 LEU 60 -1.536 -6.623 -4.112 487 HD21 LEU 60 HD21 LEU 60 -2.872 -10.056 -4.408 488 HD22 LEU 60 HD22 LEU 60 -2.602 -9.564 -6.079 489 HD23 LEU 60 HD23 LEU 60 -4.238 -9.623 -5.430 490 H PHE 61 HN PHE 61 -6.257 -4.803 -3.543 491 HA PHE 61 HA PHE 61 -7.192 -5.272 -0.800 492 HB2 PHE 61 HB2 PHE 61 -8.141 -3.245 -2.850 493 HB3 PHE 61 HB1 PHE 61 -8.864 -3.443 -1.270 494 HD1 PHE 61 HD1 PHE 61 -5.220 -3.552 -1.890 495 HD2 PHE 61 HD2 PHE 61 -8.492 -1.218 -0.544 496 HE1 PHE 61 HE1 PHE 61 -3.687 -1.860 -1.109 497 HE2 PHE 61 HE2 PHE 61 -6.948 0.519 0.192 498 HZ PHE 61 HZ PHE 61 -4.526 0.206 -0.068 499 H ARG 62 HN ARG 62 -8.781 -6.704 -0.471 500 HA ARG 62 HA ARG 62 -10.422 -7.482 -2.772 501 HB2 ARG 62 HB2 ARG 62 -10.078 -9.903 -2.064 502 HB3 ARG 62 HB1 ARG 62 -8.749 -9.116 -2.903 503 HG2 ARG 62 HG2 ARG 62 -7.597 -8.770 -0.792 504 HG3 ARG 62 HG1 ARG 62 -8.946 -9.509 0.075 505 HD2 ARG 62 HD2 ARG 62 -6.992 -11.025 -0.336 506 HD3 ARG 62 HD1 ARG 62 -8.540 -11.626 -0.925 507 HE ARG 62 HE ARG 62 -7.799 -10.811 -3.166 508 HH11 ARG 62 HH11 ARG 62 -5.452 -11.669 -0.718 509 HH12 ARG 62 HH12 ARG 62 -4.211 -12.047 -1.870 510 HH21 ARG 62 HH21 ARG 62 -6.176 -11.331 -4.675 511 HH22 ARG 62 HH22 ARG 62 -4.618 -11.852 -4.114 512 H GLN 63 HN GLN 63 -12.410 -7.952 -2.377 513 HA GLN 63 HA GLN 63 -13.592 -8.902 -0.048 514 HB2 GLN 63 HB2 GLN 63 -12.873 -6.690 0.869 515 HB3 GLN 63 HB1 GLN 63 -13.826 -5.898 -0.374 516 HG2 GLN 63 HG2 GLN 63 -15.858 -6.888 0.553 517 HG3 GLN 63 HG1 GLN 63 -14.896 -7.671 1.809 518 HE21 GLN 63 HE21 GLN 63 -16.043 -6.566 3.421 519 HE22 GLN 63 HE22 GLN 63 -15.765 -4.886 3.739 520 H GLY 64 HN GLY 64 -14.030 -9.840 -2.296 521 HA2 GLY 64 HA2 GLY 64 -16.649 -9.007 -3.141 522 HA3 GLY 64 HA1 GLY 64 -15.400 -8.692 -4.335 523 H ILE 65 HN ILE 65 -14.877 -10.300 -5.706 524 HA ILE 65 HA ILE 65 -15.201 -13.032 -5.057 525 HB ILE 65 HB ILE 65 -17.485 -12.616 -5.213 526 HG12 ILE 65 HG12 ILE 65 -18.187 -13.944 -7.209 527 HG13 ILE 65 HG11 ILE 65 -16.538 -13.836 -7.816 528 HG21 ILE 65 HG21 ILE 65 -18.558 -11.373 -6.871 529 HG22 ILE 65 HG22 ILE 65 -17.139 -11.407 -7.916 530 HG23 ILE 65 HG23 ILE 65 -17.108 -10.467 -6.425 531 HD11 ILE 65 HD11 ILE 65 -15.745 -15.056 -5.854 532 HD12 ILE 65 HD12 ILE 65 -16.943 -15.977 -6.763 533 HD13 ILE 65 HD13 ILE 65 -17.402 -15.172 -5.262 534 H ASN 66 HN ASN 66 -15.463 -11.045 -8.020 535 HA ASN 66 HA ASN 66 -13.507 -12.848 -9.289 536 HB2 ASN 66 HB2 ASN 66 -15.695 -11.184 -10.555 537 HB3 ASN 66 HB1 ASN 66 -14.533 -12.157 -11.446 538 HD21 ASN 66 HD21 ASN 66 -14.614 -14.447 -11.205 539 HD22 ASN 66 HD22 ASN 66 -16.096 -15.218 -10.762 540 H MET 67 HN MET 67 -13.220 -11.077 -11.594 541 HA MET 67 HA MET 67 -11.288 -9.206 -10.748 542 HB2 MET 67 HB2 MET 67 -12.923 -9.311 -13.292 543 HB3 MET 67 HB1 MET 67 -11.581 -8.206 -13.029 544 HG2 MET 67 HG2 MET 67 -10.083 -10.131 -12.744 545 HG3 MET 67 HG1 MET 67 -11.436 -11.210 -13.077 546 HE1 MET 67 HE1 MET 67 -8.688 -11.328 -14.682 547 HE2 MET 67 HE2 MET 67 -9.293 -11.531 -16.325 548 HE3 MET 67 HE3 MET 67 -10.062 -12.389 -14.991 549 H LYS 68 HN LYS 68 -14.755 -9.052 -11.131 550 HA LYS 68 HA LYS 68 -15.117 -6.301 -10.646 551 HB2 LYS 68 HB2 LYS 68 -16.919 -7.861 -11.383 552 HB3 LYS 68 HB1 LYS 68 -16.884 -8.616 -9.795 553 HG2 LYS 68 HG2 LYS 68 -18.745 -7.063 -10.011 554 HG3 LYS 68 HG1 LYS 68 -17.611 -6.537 -8.767 555 HD2 LYS 68 HD2 LYS 68 -18.342 -4.644 -10.108 556 HD3 LYS 68 HD1 LYS 68 -16.623 -4.945 -10.357 557 HE2 LYS 68 HE2 LYS 68 -17.122 -6.098 -12.449 558 HE3 LYS 68 HE1 LYS 68 -18.846 -5.835 -12.193 559 HZ1 LYS 68 HZ1 LYS 68 -16.818 -3.689 -12.522 560 HZ2 LYS 68 HZ2 LYS 68 -18.483 -3.464 -12.332 561 HZ3 LYS 68 HZ3 LYS 68 -17.886 -4.215 -13.724 562 H PHE 69 HN PHE 69 -15.562 -5.233 -8.611 563 HA PHE 69 HA PHE 69 -14.853 -4.625 -6.536 564 HB2 PHE 69 HB2 PHE 69 -14.645 -7.618 -6.063 565 HB3 PHE 69 HB1 PHE 69 -14.440 -6.395 -4.812 566 HD1 PHE 69 HD1 PHE 69 -16.366 -5.203 -3.927 567 HD2 PHE 69 HD2 PHE 69 -16.804 -8.137 -6.979 568 HE1 PHE 69 HE1 PHE 69 -18.790 -5.283 -3.503 569 HE2 PHE 69 HE2 PHE 69 -19.223 -8.216 -6.560 570 HZ PHE 69 HZ PHE 69 -20.220 -6.790 -4.821 571 H PHE 70 HN PHE 70 -12.708 -5.441 -4.980 572 HA PHE 70 HA PHE 70 -10.460 -5.941 -4.829 573 HB2 PHE 70 HB2 PHE 70 -11.062 -7.809 -6.318 574 HB3 PHE 70 HB1 PHE 70 -10.693 -6.796 -7.708 575 HD1 PHE 70 HD1 PHE 70 -9.192 -7.867 -4.517 576 HD2 PHE 70 HD2 PHE 70 -8.566 -6.971 -8.614 577 HE1 PHE 70 HE1 PHE 70 -6.885 -8.445 -4.273 578 HE2 PHE 70 HE2 PHE 70 -6.218 -7.570 -8.389 579 HZ PHE 70 HZ PHE 70 -5.340 -8.317 -6.208 580 H THR 71 HN THR 71 -8.490 -4.994 -5.215 581 HA THR 71 HA THR 71 -7.929 -3.603 -7.641 582 HB THR 71 HB THR 71 -9.019 -1.823 -6.095 583 HG1 THR 71 HG1 THR 71 -7.879 -1.342 -8.022 584 HG21 THR 71 HG21 THR 71 -6.394 -2.317 -4.752 585 HG22 THR 71 HG22 THR 71 -7.961 -1.932 -4.042 586 HG23 THR 71 HG23 THR 71 -7.022 -0.668 -4.834 587 H GLU 72 HN GLU 72 -5.701 -3.068 -7.857 588 HA GLU 72 HA GLU 72 -4.019 -4.619 -6.022 589 HB2 GLU 72 HB2 GLU 72 -4.584 -5.839 -8.131 590 HB3 GLU 72 HB1 GLU 72 -3.780 -4.557 -9.016 591 HG2 GLU 72 HG2 GLU 72 -1.682 -5.072 -7.853 592 HG3 GLU 72 HG1 GLU 72 -2.489 -6.406 -7.033 593 H VAL 73 HN VAL 73 -2.686 -3.189 -5.104 594 HA VAL 73 HA VAL 73 -1.822 -0.886 -6.717 595 HB VAL 73 HB VAL 73 -1.700 -0.581 -3.808 596 HG11 VAL 73 HG11 VAL 73 -2.764 1.107 -6.066 597 HG12 VAL 73 HG12 VAL 73 -1.169 1.227 -5.323 598 HG13 VAL 73 HG13 VAL 73 -2.610 1.634 -4.391 599 HG21 VAL 73 HG21 VAL 73 -4.341 -0.838 -5.216 600 HG22 VAL 73 HG22 VAL 73 -4.134 -0.052 -3.648 601 HG23 VAL 73 HG23 VAL 73 -3.774 -1.772 -3.827 602 H GLU 74 HN GLU 74 0.342 -0.371 -6.706 603 HA GLU 74 HA GLU 74 2.194 -2.304 -5.701 604 HB2 GLU 74 HB2 GLU 74 2.521 0.400 -7.008 605 HB3 GLU 74 HB1 GLU 74 3.880 -0.584 -6.496 606 HG2 GLU 74 HG2 GLU 74 3.270 -2.329 -8.022 607 HG3 GLU 74 HG1 GLU 74 1.786 -1.481 -8.452 608 H ALA 75 HN ALA 75 2.983 -2.387 -3.734 609 HA ALA 75 HA ALA 75 2.469 -0.451 -1.720 610 HB1 ALA 75 HB1 ALA 75 4.470 -2.707 -1.758 611 HB2 ALA 75 HB2 ALA 75 2.807 -2.806 -1.171 612 HB3 ALA 75 HB3 ALA 75 3.981 -1.788 -0.335 613 H TYR 76 HN TYR 76 4.998 -1.025 -4.011 614 HA TYR 76 HA TYR 76 6.203 1.500 -3.712 615 HB2 TYR 76 HB2 TYR 76 6.814 0.355 -1.520 616 HB3 TYR 76 HB1 TYR 76 7.824 -0.716 -2.483 617 HD1 TYR 76 HD1 TYR 76 10.055 -0.204 -1.983 618 HD2 TYR 76 HD2 TYR 76 7.319 2.988 -2.643 619 HE1 TYR 76 HE1 TYR 76 11.888 1.398 -1.800 620 HE2 TYR 76 HE2 TYR 76 9.151 4.598 -2.459 621 HH TYR 76 HH TYR 76 12.434 3.668 -2.484 622 H ARG 77 HN ARG 77 7.460 1.876 -5.452 623 HA ARG 77 HA ARG 77 8.061 -0.336 -7.242 624 HB2 ARG 77 HB2 ARG 77 7.142 2.101 -7.786 625 HB3 ARG 77 HB1 ARG 77 8.854 2.496 -7.795 626 HG2 ARG 77 HG2 ARG 77 9.273 1.247 -9.677 627 HG3 ARG 77 HG1 ARG 77 7.886 0.186 -9.411 628 HD2 ARG 77 HD2 ARG 77 6.368 1.984 -10.008 629 HD3 ARG 77 HD1 ARG 77 7.723 3.090 -10.203 630 HE ARG 77 HE ARG 77 8.342 1.951 -12.178 631 HH11 ARG 77 HH11 ARG 77 5.412 0.613 -10.761 632 HH12 ARG 77 HH12 ARG 77 4.842 -0.026 -12.268 633 HH21 ARG 77 HH21 ARG 77 7.582 1.101 -14.142 634 HH22 ARG 77 HH22 ARG 77 6.069 0.253 -14.190 635 HA PRO 78 HA PRO 78 11.979 -1.127 -5.567 636 HB2 PRO 78 HB2 PRO 78 13.429 -1.762 -7.790 637 HB3 PRO 78 HB1 PRO 78 12.305 -2.851 -6.983 638 HG2 PRO 78 HG2 PRO 78 11.880 -1.151 -9.406 639 HG3 PRO 78 HG1 PRO 78 11.358 -2.819 -9.100 640 HD2 PRO 78 HD2 PRO 78 9.651 -0.771 -8.886 641 HD3 PRO 78 HD1 PRO 78 9.579 -2.144 -7.763 642 H ASP 79 HN ASP 79 12.614 0.851 -4.775 643 HA ASP 79 HA ASP 79 14.376 2.509 -6.446 644 HB2 ASP 79 HB2 ASP 79 12.468 3.300 -4.738 645 HB3 ASP 79 HB1 ASP 79 13.836 3.210 -3.627 646 H LEU 80 HN LEU 80 16.359 1.577 -6.526 647 HA LEU 80 HA LEU 80 17.169 -0.119 -4.348 648 HB2 LEU 80 HB2 LEU 80 17.347 -0.777 -6.750 649 HB3 LEU 80 HB1 LEU 80 18.618 0.413 -6.906 650 HG LEU 80 HG LEU 80 19.926 -0.847 -5.182 651 HD11 LEU 80 HD11 LEU 80 17.748 -2.892 -5.581 652 HD12 LEU 80 HD12 LEU 80 18.097 -2.010 -4.095 653 HD13 LEU 80 HD13 LEU 80 19.267 -3.166 -4.730 654 HD21 LEU 80 HD21 LEU 80 20.392 -1.101 -7.554 655 HD22 LEU 80 HD22 LEU 80 19.153 -2.349 -7.679 656 HD23 LEU 80 HD23 LEU 80 20.599 -2.637 -6.712 657 H LYS 81 HN LYS 81 17.738 3.027 -5.244 658 HA LYS 81 HA LYS 81 20.379 3.122 -4.012 659 HB2 LYS 81 HB2 LYS 81 19.915 4.377 -6.132 660 HB3 LYS 81 HB1 LYS 81 18.833 5.418 -5.217 661 HG2 LYS 81 HG2 LYS 81 20.631 6.250 -3.891 662 HG3 LYS 81 HG1 LYS 81 21.745 5.059 -4.558 663 HD2 LYS 81 HD2 LYS 81 22.136 7.220 -5.578 664 HD3 LYS 81 HD1 LYS 81 21.496 6.097 -6.777 665 HE2 LYS 81 HE2 LYS 81 20.444 8.260 -7.022 666 HE3 LYS 81 HE1 LYS 81 19.260 7.077 -6.472 667 HZ1 LYS 81 HZ1 LYS 81 20.653 9.045 -4.734 668 HZ2 LYS 81 HZ2 LYS 81 19.483 7.935 -4.235 669 HZ3 LYS 81 HZ3 LYS 81 19.062 9.184 -5.293 670 H HIS 82 HN HIS 82 17.109 3.678 -3.187 671 HA HIS 82 HA HIS 82 17.816 5.455 -0.973 672 HB2 HIS 82 HB2 HIS 82 15.147 4.627 -2.119 673 HB3 HIS 82 HB1 HIS 82 15.310 5.589 -0.655 674 HD1 HIS 82 HD1 HIS 82 15.543 5.773 -4.374 675 HD2 HIS 82 HD2 HIS 82 16.141 8.251 -1.066 676 HE1 HIS 82 HE1 HIS 82 15.724 8.118 -5.282 677 HE2 HIS 82 HE2 HIS 82 15.909 9.605 -3.259 678 HA PRO 83 HA PRO 83 17.923 1.933 1.787 679 HB2 PRO 83 HB2 PRO 83 17.895 3.466 4.086 680 HB3 PRO 83 HB1 PRO 83 19.345 3.034 3.178 681 HG2 PRO 83 HG2 PRO 83 17.777 5.567 3.153 682 HG3 PRO 83 HG1 PRO 83 19.529 5.328 3.044 683 HD2 PRO 83 HD2 PRO 83 18.018 5.909 0.891 684 HD3 PRO 83 HD1 PRO 83 19.455 4.872 0.786 685 H LEU 84 HN LEU 84 16.193 0.776 2.213 686 HA LEU 84 HA LEU 84 13.607 1.986 2.623 687 HB2 LEU 84 HB2 LEU 84 14.256 -0.980 2.883 688 HB3 LEU 84 HB1 LEU 84 12.679 -0.301 2.600 689 HG LEU 84 HG LEU 84 13.424 0.409 0.297 690 HD11 LEU 84 HD11 LEU 84 15.467 -0.608 -0.650 691 HD12 LEU 84 HD12 LEU 84 15.948 -1.079 0.980 692 HD13 LEU 84 HD13 LEU 84 15.796 0.628 0.562 693 HD21 LEU 84 HD21 LEU 84 13.746 -1.968 -0.602 694 HD22 LEU 84 HD22 LEU 84 12.262 -1.596 0.265 695 HD23 LEU 84 HD23 LEU 84 13.559 -2.476 1.076 696 H CYS 85 HN CYS 85 12.649 2.280 4.572 697 HA CYS 85 HA CYS 85 12.596 0.429 6.573 698 HB2 CYS 85 HB2 CYS 85 13.724 1.545 8.452 699 HB3 CYS 85 HB1 CYS 85 14.840 1.062 7.198 700 H GLY 86 HN GLY 86 12.582 3.698 5.881 701 HA2 GLY 86 HA2 GLY 86 9.860 3.938 6.936 702 HA3 GLY 86 HA1 GLY 86 10.894 5.288 6.493 703 H LYS 87 HN LYS 87 10.674 2.442 4.295 704 HA LYS 87 HA LYS 87 9.640 4.552 2.478 705 HB2 LYS 87 HB2 LYS 87 11.875 2.652 1.830 706 HB3 LYS 87 HB1 LYS 87 11.106 3.786 0.726 707 HG2 LYS 87 HG2 LYS 87 12.592 4.580 3.221 708 HG3 LYS 87 HG1 LYS 87 13.284 4.574 1.597 709 HD2 LYS 87 HD2 LYS 87 11.557 6.183 0.886 710 HD3 LYS 87 HD1 LYS 87 10.935 6.219 2.538 711 HE2 LYS 87 HE2 LYS 87 13.113 7.036 3.322 712 HE3 LYS 87 HE1 LYS 87 13.702 7.033 1.661 713 HZ1 LYS 87 HZ1 LYS 87 12.970 9.233 2.414 714 HZ2 LYS 87 HZ2 LYS 87 11.405 8.638 2.635 715 HZ3 LYS 87 HZ3 LYS 87 12.081 8.688 1.086 716 H ARG 88 HN ARG 88 7.796 3.929 2.062 717 HA ARG 88 HA ARG 88 7.397 1.972 0.086 718 HB2 ARG 88 HB2 ARG 88 6.046 1.542 2.722 719 HB3 ARG 88 HB1 ARG 88 5.356 0.957 1.216 720 HG2 ARG 88 HG2 ARG 88 8.099 0.233 2.169 721 HG3 ARG 88 HG1 ARG 88 6.670 -0.714 2.557 722 HD2 ARG 88 HD2 ARG 88 6.296 -0.896 0.052 723 HD3 ARG 88 HD1 ARG 88 7.912 -0.216 -0.137 724 HE ARG 88 HE ARG 88 7.566 -2.647 1.468 725 HH11 ARG 88 HH11 ARG 88 8.852 -1.118 -1.396 726 HH12 ARG 88 HH12 ARG 88 9.883 -2.443 -1.807 727 HH21 ARG 88 HH21 ARG 88 8.956 -4.390 0.943 728 HH22 ARG 88 HH22 ARG 88 9.947 -4.300 -0.473 729 H TYR 89 HN TYR 89 5.030 2.233 -0.741 730 HA TYR 89 HA TYR 89 4.445 5.096 -0.549 731 HB2 TYR 89 HB2 TYR 89 3.271 2.986 -2.382 732 HB3 TYR 89 HB1 TYR 89 2.913 4.703 -2.448 733 HD1 TYR 89 HD1 TYR 89 4.107 2.699 -4.587 734 HD2 TYR 89 HD2 TYR 89 5.764 5.671 -2.037 735 HE1 TYR 89 HE1 TYR 89 5.973 3.006 -6.158 736 HE2 TYR 89 HE2 TYR 89 7.627 5.989 -3.603 737 HH TYR 89 HH TYR 89 7.613 4.701 -6.759 738 H GLU 90 HN GLU 90 2.472 5.851 0.144 739 HA GLU 90 HA GLU 90 0.795 3.982 1.614 740 HB2 GLU 90 HB2 GLU 90 1.118 5.966 2.837 741 HB3 GLU 90 HB1 GLU 90 0.883 6.983 1.425 742 HG2 GLU 90 HG2 GLU 90 -1.499 6.286 1.379 743 HG3 GLU 90 HG1 GLU 90 -1.220 5.404 2.885 744 H LEU 91 HN LEU 91 -0.772 2.987 0.620 745 HA LEU 91 HA LEU 91 -2.131 4.460 -1.508 746 HB2 LEU 91 HB2 LEU 91 -2.560 1.531 -1.037 747 HB3 LEU 91 HB1 LEU 91 -2.877 2.460 -2.465 748 HG LEU 91 HG LEU 91 -1.059 1.092 -3.025 749 HD11 LEU 91 HD11 LEU 91 0.772 2.633 -3.454 750 HD12 LEU 91 HD12 LEU 91 0.067 3.785 -2.320 751 HD13 LEU 91 HD13 LEU 91 -0.796 3.363 -3.798 752 HD21 LEU 91 HD21 LEU 91 -0.371 0.348 -0.841 753 HD22 LEU 91 HD22 LEU 91 0.283 1.942 -0.469 754 HD23 LEU 91 HD23 LEU 91 1.021 0.959 -1.732 755 H SER 92 HN SER 92 -3.954 5.292 -1.025 756 HA SER 92 HA SER 92 -5.266 4.418 1.442 757 HB2 SER 92 HB2 SER 92 -5.466 7.021 -0.036 758 HB3 SER 92 HB1 SER 92 -6.201 6.660 1.526 759 HG SER 92 HG SER 92 -3.408 6.538 1.027 760 H ALA 93 HN ALA 93 -7.158 3.567 1.406 761 HA ALA 93 HA ALA 93 -8.560 3.363 -1.117 762 HB1 ALA 93 HB1 ALA 93 -9.360 1.485 -0.335 763 HB2 ALA 93 HB2 ALA 93 -9.852 2.233 1.188 764 HB3 ALA 93 HB3 ALA 93 -8.190 1.668 0.982 765 H ARG 94 HN ARG 94 -9.572 5.157 -1.538 766 HA ARG 94 HA ARG 94 -11.028 6.455 0.694 767 HB2 ARG 94 HB2 ARG 94 -9.723 7.878 -1.632 768 HB3 ARG 94 HB1 ARG 94 -10.573 8.626 -0.290 769 HG2 ARG 94 HG2 ARG 94 -8.743 7.412 1.134 770 HG3 ARG 94 HG1 ARG 94 -7.858 7.437 -0.393 771 HD2 ARG 94 HD2 ARG 94 -8.977 9.788 1.118 772 HD3 ARG 94 HD1 ARG 94 -7.283 9.415 0.821 773 HE ARG 94 HE ARG 94 -8.740 9.732 -1.608 774 HH11 ARG 94 HH11 ARG 94 -7.205 11.510 0.985 775 HH12 ARG 94 HH12 ARG 94 -6.939 12.928 0.024 776 HH21 ARG 94 HH21 ARG 94 -8.391 11.601 -2.875 777 HH22 ARG 94 HH22 ARG 94 -7.614 12.983 -2.174 778 H MET 95 HN MET 95 -12.669 7.514 0.427 779 HA MET 95 HA MET 95 -14.891 6.933 -0.529 780 HB2 MET 95 HB2 MET 95 -14.099 9.701 -1.370 781 HB3 MET 95 HB1 MET 95 -15.545 9.173 -0.521 782 HG2 MET 95 HG2 MET 95 -14.260 8.825 1.506 783 HG3 MET 95 HG1 MET 95 -12.763 9.269 0.683 784 HE1 MET 95 HE1 MET 95 -13.719 11.739 -1.123 785 HE2 MET 95 HE2 MET 95 -12.228 11.700 -0.184 786 HE3 MET 95 HE3 MET 95 -13.324 13.074 -0.041 787 H ASP 96 HN ASP 96 -12.793 8.757 -2.786 788 HA ASP 96 HA ASP 96 -14.459 8.026 -5.035 789 HB2 ASP 96 HB2 ASP 96 -11.984 9.735 -4.805 790 HB3 ASP 96 HB1 ASP 96 -12.789 9.404 -6.334 791 H ALA 97 HN ALA 97 -10.963 7.726 -4.330 792 HA ALA 97 HA ALA 97 -10.928 5.152 -5.704 793 HB1 ALA 97 HB1 ALA 97 -9.425 7.572 -6.639 794 HB2 ALA 97 HB2 ALA 97 -10.406 6.450 -7.578 795 HB3 ALA 97 HB3 ALA 97 -8.812 5.938 -6.968 796 H ILE 98 HN ILE 98 -8.593 4.362 -5.753 797 HA ILE 98 HA ILE 98 -7.439 4.563 -3.097 798 HB ILE 98 HB ILE 98 -6.844 2.811 -5.502 799 HG12 ILE 98 HG12 ILE 98 -8.869 2.662 -3.690 800 HG13 ILE 98 HG11 ILE 98 -8.164 1.239 -4.446 801 HG21 ILE 98 HG21 ILE 98 -5.115 1.718 -4.246 802 HG22 ILE 98 HG22 ILE 98 -5.560 2.519 -2.739 803 HG23 ILE 98 HG23 ILE 98 -4.787 3.441 -4.040 804 HD11 ILE 98 HD11 ILE 98 -8.483 1.153 -1.986 805 HD12 ILE 98 HD12 ILE 98 -7.242 2.416 -1.858 806 HD13 ILE 98 HD13 ILE 98 -6.838 0.823 -2.535 807 H TYR 99 HN TYR 99 -5.791 5.868 -2.677 808 HA TYR 99 HA TYR 99 -4.474 7.082 -5.019 809 HB2 TYR 99 HB2 TYR 99 -4.756 9.178 -4.223 810 HB3 TYR 99 HB1 TYR 99 -6.094 8.450 -3.370 811 HD1 TYR 99 HD1 TYR 99 -6.237 8.678 -1.043 812 HD2 TYR 99 HD2 TYR 99 -2.520 9.376 -2.977 813 HE1 TYR 99 HE1 TYR 99 -5.281 9.454 1.079 814 HE2 TYR 99 HE2 TYR 99 -1.562 10.161 -0.854 815 HH TYR 99 HH TYR 99 -2.772 11.273 1.398 816 H PHE 100 HN PHE 100 -2.311 7.300 -5.068 817 HA PHE 100 HA PHE 100 -0.903 5.856 -2.941 818 HB2 PHE 100 HB2 PHE 100 0.741 5.236 -4.499 819 HB3 PHE 100 HB1 PHE 100 -0.759 5.121 -5.407 820 HD1 PHE 100 HD1 PHE 100 2.506 6.534 -5.263 821 HD2 PHE 100 HD2 PHE 100 -1.372 7.080 -6.926 822 HE1 PHE 100 HE1 PHE 100 3.458 8.000 -6.992 823 HE2 PHE 100 HE2 PHE 100 -0.426 8.547 -8.658 824 HZ PHE 100 HZ PHE 100 1.992 9.009 -8.693 825 H LYS 101 HN LYS 101 1.246 6.689 -2.318 826 HA LYS 101 HA LYS 101 1.628 9.541 -2.777 827 HB2 LYS 101 HB2 LYS 101 0.250 9.579 -0.854 828 HB3 LYS 101 HB1 LYS 101 1.147 8.276 -0.089 829 HG2 LYS 101 HG2 LYS 101 3.120 9.820 0.013 830 HG3 LYS 101 HG1 LYS 101 2.050 11.112 -0.535 831 HD2 LYS 101 HD2 LYS 101 1.568 9.436 1.925 832 HD3 LYS 101 HD1 LYS 101 2.355 11.014 1.942 833 HE2 LYS 101 HE2 LYS 101 0.393 12.108 1.223 834 HE3 LYS 101 HE1 LYS 101 -0.378 10.590 0.767 835 HZ1 LYS 101 HZ1 LYS 101 -1.189 11.560 2.879 836 HZ2 LYS 101 HZ2 LYS 101 0.336 11.288 3.557 837 HZ3 LYS 101 HZ3 LYS 101 -0.605 9.979 3.027 838 H MET 102 HN MET 102 3.659 10.145 -2.834 839 HA MET 102 HA MET 102 5.734 8.730 -1.403 840 HB2 MET 102 HB2 MET 102 5.801 7.529 -3.498 841 HB3 MET 102 HB1 MET 102 5.709 9.026 -4.413 842 HG2 MET 102 HG2 MET 102 7.961 8.056 -4.410 843 HG3 MET 102 HG1 MET 102 7.909 9.663 -3.689 844 HE1 MET 102 HE1 MET 102 10.416 7.842 -3.308 845 HE2 MET 102 HE2 MET 102 10.718 8.002 -1.577 846 HE3 MET 102 HE3 MET 102 10.239 9.411 -2.522 847 H ASP 103 HN ASP 103 7.584 10.092 -1.101 848 HA ASP 103 HA ASP 103 6.968 12.853 -0.976 849 HB2 ASP 103 HB2 ASP 103 9.642 11.495 -0.754 850 HB3 ASP 103 HB1 ASP 103 9.298 13.160 -0.313 851 H GLU 104 HN GLU 104 8.182 14.579 -1.930 852 HA GLU 104 HA GLU 104 9.137 15.760 -3.608 853 HB2 GLU 104 HB2 GLU 104 10.879 14.000 -3.652 854 HB3 GLU 104 HB1 GLU 104 9.911 13.139 -4.831 855 HG2 GLU 104 HG2 GLU 104 10.081 15.120 -6.323 856 HG3 GLU 104 HG1 GLU 104 11.207 15.822 -5.165 857 H ARG 105 HN ARG 105 6.786 13.383 -4.083 858 HA ARG 105 HA ARG 105 5.805 14.861 -6.434 859 HB2 ARG 105 HB2 ARG 105 5.015 12.782 -7.442 860 HB3 ARG 105 HB1 ARG 105 6.751 12.747 -7.191 861 HG2 ARG 105 HG2 ARG 105 6.408 11.375 -5.176 862 HG3 ARG 105 HG1 ARG 105 4.676 11.352 -5.520 863 HD2 ARG 105 HD2 ARG 105 6.876 10.268 -7.280 864 HD3 ARG 105 HD1 ARG 105 5.714 9.321 -6.352 865 HE ARG 105 HE ARG 105 4.218 10.954 -7.987 866 HH11 ARG 105 HH11 ARG 105 6.597 8.412 -8.424 867 HH12 ARG 105 HH12 ARG 105 5.977 7.931 -9.971 868 HH21 ARG 105 HH21 ARG 105 3.404 10.322 -10.011 869 HH22 ARG 105 HH22 ARG 105 4.157 9.018 -10.873 870 HA PRO 106 HA PRO 106 2.078 15.245 -4.200 871 HB2 PRO 106 HB2 PRO 106 0.421 15.325 -6.554 872 HB3 PRO 106 HB1 PRO 106 1.022 16.673 -5.591 873 HG2 PRO 106 HG2 PRO 106 1.819 16.143 -8.163 874 HG3 PRO 106 HG1 PRO 106 2.794 17.037 -6.983 875 HD2 PRO 106 HD2 PRO 106 2.987 14.172 -7.827 876 HD3 PRO 106 HD1 PRO 106 4.282 15.338 -7.481 877 HA PRO 107 HA PRO 107 0.278 11.091 -3.834 878 HB2 PRO 107 HB2 PRO 107 -1.567 11.933 -1.950 879 HB3 PRO 107 HB1 PRO 107 0.062 11.362 -1.587 880 HG2 PRO 107 HG2 PRO 107 -0.963 14.152 -1.806 881 HG3 PRO 107 HG1 PRO 107 0.206 13.472 -0.660 882 HD2 PRO 107 HD2 PRO 107 0.990 14.958 -2.741 883 HD3 PRO 107 HD1 PRO 107 1.947 13.568 -2.189 884 H GLN 108 HN GLN 108 -1.329 10.287 -5.132 885 HA GLN 108 HA GLN 108 -3.703 11.879 -5.639 886 HB2 GLN 108 HB2 GLN 108 -3.391 11.925 -8.068 887 HB3 GLN 108 HB1 GLN 108 -2.118 12.807 -7.236 888 HG2 GLN 108 HG2 GLN 108 -0.664 10.808 -7.476 889 HG3 GLN 108 HG1 GLN 108 -1.931 10.062 -8.448 890 HE21 GLN 108 HE21 GLN 108 -1.165 13.471 -8.535 891 HE22 GLN 108 HE22 GLN 108 -0.518 13.479 -10.137 892 HA PRO 109 HA PRO 109 -5.754 7.954 -6.136 893 HB2 PRO 109 HB2 PRO 109 -7.248 9.286 -8.321 894 HB3 PRO 109 HB1 PRO 109 -7.851 8.482 -6.871 895 HG2 PRO 109 HG2 PRO 109 -7.900 11.130 -7.064 896 HG3 PRO 109 HG1 PRO 109 -7.493 10.337 -5.529 897 HD2 PRO 109 HD2 PRO 109 -5.683 11.623 -7.535 898 HD3 PRO 109 HD1 PRO 109 -5.623 11.678 -5.762 899 H LEU 110 HN LEU 110 -4.940 6.240 -7.179 900 HA LEU 110 HA LEU 110 -4.433 6.478 -10.058 901 HB2 LEU 110 HB2 LEU 110 -2.332 6.790 -8.717 902 HB3 LEU 110 HB1 LEU 110 -2.538 5.150 -8.134 903 HG LEU 110 HG LEU 110 -2.382 4.351 -10.494 904 HD11 LEU 110 HD11 LEU 110 -3.067 6.370 -11.641 905 HD12 LEU 110 HD12 LEU 110 -1.456 5.888 -12.171 906 HD13 LEU 110 HD13 LEU 110 -1.648 7.223 -11.034 907 HD21 LEU 110 HD21 LEU 110 -0.444 4.315 -9.001 908 HD22 LEU 110 HD22 LEU 110 -0.025 5.951 -9.507 909 HD23 LEU 110 HD23 LEU 110 0.029 4.628 -10.671 910 H ASN 111 HN ASN 111 -6.058 4.922 -7.694 911 HA ASN 111 HA ASN 111 -6.473 2.580 -9.340 912 HB2 ASN 111 HB2 ASN 111 -5.294 2.436 -6.569 913 HB3 ASN 111 HB1 ASN 111 -6.282 1.123 -7.203 914 HD21 ASN 111 HD21 ASN 111 -5.482 -0.148 -8.869 915 HD22 ASN 111 HD22 ASN 111 -3.810 -0.141 -9.311 916 H LYS 112 HN LYS 112 -8.271 1.245 -7.969 917 HA LYS 112 HA LYS 112 -9.748 3.131 -6.330 918 HB2 LYS 112 HB2 LYS 112 -10.620 3.247 -8.696 919 HB3 LYS 112 HB1 LYS 112 -11.146 1.598 -8.463 920 HG2 LYS 112 HG2 LYS 112 -12.407 2.470 -6.430 921 HG3 LYS 112 HG1 LYS 112 -12.140 4.069 -7.131 922 HD2 LYS 112 HD2 LYS 112 -13.247 3.364 -9.187 923 HD3 LYS 112 HD1 LYS 112 -13.491 1.752 -8.512 924 HE2 LYS 112 HE2 LYS 112 -14.757 2.897 -6.634 925 HE3 LYS 112 HE1 LYS 112 -14.730 4.346 -7.639 926 HZ1 LYS 112 HZ1 LYS 112 -15.941 1.726 -8.333 927 HZ2 LYS 112 HZ2 LYS 112 -15.828 3.041 -9.399 928 HZ3 LYS 112 HZ3 LYS 112 -16.769 3.167 -7.996 929 H TRP 113 HN TRP 113 -11.108 2.207 -4.953 930 HA TRP 113 HA TRP 113 -10.301 -0.321 -3.972 931 HB2 TRP 113 HB2 TRP 113 -12.177 0.118 -2.312 932 HB3 TRP 113 HB1 TRP 113 -10.840 1.271 -2.330 933 HD1 TRP 113 HD1 TRP 113 -11.354 3.667 -3.556 934 HE1 TRP 113 HE1 TRP 113 -13.547 4.982 -3.795 935 HE3 TRP 113 HE3 TRP 113 -14.657 -0.089 -2.520 936 HZ2 TRP 113 HZ2 TRP 113 -16.319 4.490 -3.570 937 HZ3 TRP 113 HZ3 TRP 113 -17.063 0.416 -2.550 938 HH2 TRP 113 HH2 TRP 113 -17.878 2.659 -3.063 939 H ARG 114 HN ARG 114 -12.299 -1.727 -3.132 940 HA ARG 114 HA ARG 114 -12.930 -3.074 -5.464 941 HB2 ARG 114 HB2 ARG 114 -14.470 -4.420 -3.890 942 HB3 ARG 114 HB1 ARG 114 -12.727 -4.468 -3.764 943 HG2 ARG 114 HG2 ARG 114 -13.499 -4.356 -1.555 944 HG3 ARG 114 HG1 ARG 114 -12.945 -2.728 -1.930 945 HD2 ARG 114 HD2 ARG 114 -15.216 -2.001 -2.303 946 HD3 ARG 114 HD1 ARG 114 -15.811 -3.645 -2.083 947 HE ARG 114 HE ARG 114 -14.499 -3.103 0.240 948 HH11 ARG 114 HH11 ARG 114 -17.101 -1.561 -1.517 949 HH12 ARG 114 HH12 ARG 114 -17.837 -0.905 -0.091 950 HH21 ARG 114 HH21 ARG 114 -15.462 -2.258 2.108 951 HH22 ARG 114 HH22 ARG 114 -16.918 -1.317 1.972 952 H SER 115 HN SER 115 -14.366 -3.126 -6.752 953 HA SER 115 HA SER 115 -16.004 -2.365 -8.129 954 HB2 SER 115 HB2 SER 115 -17.501 -2.847 -5.596 955 HB3 SER 115 HB1 SER 115 -18.317 -2.404 -7.090 956 HG SER 115 HG SER 115 -18.283 -4.566 -7.167 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 22.037 5.515 -5.380 2 H2 ALA 1 HT2 ALA 1 20.545 5.084 -6.042 3 H3 ALA 1 HT3 ALA 1 21.504 3.920 -5.280 4 HA ALA 1 HA ALA 1 20.287 6.265 -3.967 5 HB1 ALA 1 HB1 ALA 1 19.488 3.358 -3.614 6 HB2 ALA 1 HB2 ALA 1 18.695 4.472 -4.738 7 HB3 ALA 1 HB3 ALA 1 18.676 4.812 -3.012 8 H MET 2 HN MET 2 21.396 6.865 -2.214 9 HA MET 2 HA MET 2 23.021 4.827 -0.844 10 HB2 MET 2 HB2 MET 2 23.806 7.679 -1.454 11 HB3 MET 2 HB1 MET 2 24.714 6.603 -0.399 12 HG2 MET 2 HG2 MET 2 25.046 5.063 -2.279 13 HG3 MET 2 HG1 MET 2 24.173 6.178 -3.327 14 HE1 MET 2 HE1 MET 2 28.268 7.063 -1.392 15 HE2 MET 2 HE2 MET 2 27.422 5.522 -1.258 16 HE3 MET 2 HE3 MET 2 26.777 6.952 -0.457 17 H GLY 3 HN GLY 3 22.297 8.265 -0.203 18 HA2 GLY 3 HA2 GLY 3 21.670 7.677 2.551 19 HA3 GLY 3 HA1 GLY 3 21.529 9.243 1.757 20 H CYS 4 HN CYS 4 19.923 6.232 2.479 21 HA CYS 4 HA CYS 4 17.455 7.339 1.363 22 HB2 CYS 4 HB2 CYS 4 18.583 4.599 0.775 23 HB3 CYS 4 HB1 CYS 4 16.997 5.172 0.262 24 H LYS 5 HN LYS 5 15.577 6.647 2.240 25 HA LYS 5 HA LYS 5 15.645 6.066 4.974 26 HB2 LYS 5 HB2 LYS 5 13.128 5.858 4.649 27 HB3 LYS 5 HB1 LYS 5 13.901 7.432 4.428 28 HG2 LYS 5 HG2 LYS 5 14.022 6.801 1.991 29 HG3 LYS 5 HG1 LYS 5 12.919 5.496 2.396 30 HD2 LYS 5 HD2 LYS 5 11.272 7.065 3.211 31 HD3 LYS 5 HD1 LYS 5 12.389 8.408 2.989 32 HE2 LYS 5 HE2 LYS 5 12.381 7.868 0.536 33 HE3 LYS 5 HE1 LYS 5 11.072 6.732 0.865 34 HZ1 LYS 5 HZ1 LYS 5 9.806 8.620 1.814 35 HZ2 LYS 5 HZ2 LYS 5 10.142 8.802 0.166 36 HZ3 LYS 5 HZ3 LYS 5 11.036 9.666 1.309 37 H GLU 6 HN GLU 6 14.714 4.457 6.153 38 HA GLU 6 HA GLU 6 14.477 1.818 5.137 39 HB2 GLU 6 HB2 GLU 6 13.821 3.198 7.740 40 HB3 GLU 6 HB1 GLU 6 13.516 1.487 7.475 41 HG2 GLU 6 HG2 GLU 6 15.854 1.081 7.074 42 HG3 GLU 6 HG1 GLU 6 16.200 2.810 7.183 43 H ILE 7 HN ILE 7 12.496 0.776 4.646 44 HA ILE 7 HA ILE 7 10.682 2.845 3.683 45 HB ILE 7 HB ILE 7 11.152 0.069 2.680 46 HG12 ILE 7 HG12 ILE 7 13.052 1.201 2.142 47 HG13 ILE 7 HG11 ILE 7 12.068 1.476 0.725 48 HG21 ILE 7 HG21 ILE 7 9.566 2.284 1.468 49 HG22 ILE 7 HG22 ILE 7 8.900 0.801 2.156 50 HG23 ILE 7 HG23 ILE 7 9.921 0.734 0.718 51 HD11 ILE 7 HD11 ILE 7 11.405 3.648 1.662 52 HD12 ILE 7 HD12 ILE 7 13.145 3.531 1.352 53 HD13 ILE 7 HD13 ILE 7 12.517 3.386 3.005 54 H GLU 8 HN GLU 8 8.358 2.449 3.542 55 HA GLU 8 HA GLU 8 7.250 0.928 5.728 56 HB2 GLU 8 HB2 GLU 8 7.916 3.844 6.032 57 HB3 GLU 8 HB1 GLU 8 6.551 3.143 6.873 58 HG2 GLU 8 HG2 GLU 8 8.067 1.549 7.961 59 HG3 GLU 8 HG1 GLU 8 9.429 2.323 7.150 60 H ILE 9 HN ILE 9 5.319 0.447 4.850 61 HA ILE 9 HA ILE 9 4.282 2.329 2.856 62 HB ILE 9 HB ILE 9 3.053 -0.318 3.121 63 HG12 ILE 9 HG12 ILE 9 5.430 -0.822 3.431 64 HG13 ILE 9 HG11 ILE 9 4.772 -1.481 1.946 65 HG21 ILE 9 HG21 ILE 9 4.138 0.920 0.681 66 HG22 ILE 9 HG22 ILE 9 2.633 1.517 1.390 67 HG23 ILE 9 HG23 ILE 9 2.758 -0.160 0.856 68 HD11 ILE 9 HD11 ILE 9 5.718 0.248 0.688 69 HD12 ILE 9 HD12 ILE 9 6.984 -0.431 1.713 70 HD13 ILE 9 HD13 ILE 9 6.218 1.100 2.137 71 H VAL 10 HN VAL 10 2.403 3.371 3.149 72 HA VAL 10 HA VAL 10 0.760 2.517 5.424 73 HB VAL 10 HB VAL 10 1.011 4.661 6.039 74 HG11 VAL 10 HG11 VAL 10 1.503 6.544 4.481 75 HG12 VAL 10 HG12 VAL 10 1.534 5.375 3.169 76 HG13 VAL 10 HG13 VAL 10 2.703 5.255 4.474 77 HG21 VAL 10 HG21 VAL 10 -1.016 5.108 3.846 78 HG22 VAL 10 HG22 VAL 10 -0.761 6.141 5.251 79 HG23 VAL 10 HG23 VAL 10 -1.363 4.494 5.464 80 H ILE 11 HN ILE 11 -0.952 1.425 4.930 81 HA ILE 11 HA ILE 11 -2.360 2.007 2.442 82 HB ILE 11 HB ILE 11 -2.652 -0.311 4.364 83 HG12 ILE 11 HG12 ILE 11 -0.670 -0.652 3.096 84 HG13 ILE 11 HG11 ILE 11 -1.916 -1.678 2.363 85 HG21 ILE 11 HG21 ILE 11 -4.781 0.008 3.556 86 HG22 ILE 11 HG22 ILE 11 -4.112 -1.206 2.455 87 HG23 ILE 11 HG23 ILE 11 -4.202 0.487 1.965 88 HD11 ILE 11 HD11 ILE 11 -2.263 -0.102 0.636 89 HD12 ILE 11 HD12 ILE 11 -0.537 -0.462 0.743 90 HD13 ILE 11 HD13 ILE 11 -1.175 1.049 1.401 91 H LYS 12 HN LYS 12 -3.803 3.549 2.722 92 HA LYS 12 HA LYS 12 -5.020 3.872 5.393 93 HB2 LYS 12 HB2 LYS 12 -3.947 5.786 3.639 94 HB3 LYS 12 HB1 LYS 12 -5.713 5.999 3.535 95 HG2 LYS 12 HG2 LYS 12 -5.869 6.350 5.885 96 HG3 LYS 12 HG1 LYS 12 -4.174 5.926 6.120 97 HD2 LYS 12 HD2 LYS 12 -3.561 7.869 4.680 98 HD3 LYS 12 HD1 LYS 12 -5.265 8.326 4.661 99 HE2 LYS 12 HE2 LYS 12 -5.260 8.639 7.044 100 HE3 LYS 12 HE1 LYS 12 -3.622 8.008 7.166 101 HZ1 LYS 12 HZ1 LYS 12 -4.427 10.513 5.795 102 HZ2 LYS 12 HZ2 LYS 12 -2.853 9.898 5.856 103 HZ3 LYS 12 HZ3 LYS 12 -3.619 10.400 7.276 104 H ASN 13 HN ASN 13 -7.317 4.625 5.342 105 HA ASN 13 HA ASN 13 -8.921 3.489 3.210 106 HB2 ASN 13 HB2 ASN 13 -10.076 2.239 5.257 107 HB3 ASN 13 HB1 ASN 13 -8.764 1.500 4.336 108 HD21 ASN 13 HD21 ASN 13 -9.485 3.421 7.190 109 HD22 ASN 13 HD22 ASN 13 -8.129 2.894 8.124 110 H THR 14 HN THR 14 -10.190 5.292 2.902 111 HA THR 14 HA THR 14 -12.005 6.003 4.920 112 HB THR 14 HB THR 14 -10.206 7.087 6.001 113 HG1 THR 14 HG1 THR 14 -11.194 8.990 6.263 114 HG21 THR 14 HG21 THR 14 -8.746 7.220 4.090 115 HG22 THR 14 HG22 THR 14 -8.920 8.809 4.856 116 HG23 THR 14 HG23 THR 14 -9.813 8.444 3.371 117 H LEU 15 HN LEU 15 -13.464 5.688 3.067 118 HA LEU 15 HA LEU 15 -13.696 8.099 1.583 119 HB2 LEU 15 HB2 LEU 15 -15.818 5.995 2.057 120 HB3 LEU 15 HB1 LEU 15 -15.927 7.324 0.970 121 HG LEU 15 HG LEU 15 -14.364 6.419 -0.510 122 HD11 LEU 15 HD11 LEU 15 -13.736 4.416 1.551 123 HD12 LEU 15 HD12 LEU 15 -12.767 5.776 0.957 124 HD13 LEU 15 HD13 LEU 15 -13.138 4.420 -0.120 125 HD21 LEU 15 HD21 LEU 15 -16.593 5.450 -0.679 126 HD22 LEU 15 HD22 LEU 15 -16.139 4.211 0.489 127 HD23 LEU 15 HD23 LEU 15 -15.361 4.258 -1.093 128 H GLY 16 HN GLY 16 -14.700 6.547 4.420 129 HA2 GLY 16 HA2 GLY 16 -14.908 8.547 6.167 130 HA3 GLY 16 HA1 GLY 16 -16.513 8.548 5.413 131 HA PRO 17 HA PRO 17 -16.630 5.840 9.180 132 HB2 PRO 17 HB2 PRO 17 -19.526 6.177 8.562 133 HB3 PRO 17 HB1 PRO 17 -18.685 6.279 10.112 134 HG2 PRO 17 HG2 PRO 17 -19.484 8.485 8.868 135 HG3 PRO 17 HG1 PRO 17 -17.921 8.434 9.706 136 HD2 PRO 17 HD2 PRO 17 -18.511 8.319 6.783 137 HD3 PRO 17 HD1 PRO 17 -17.155 9.086 7.634 138 H SER 18 HN SER 18 -16.431 3.725 9.072 139 HA SER 18 HA SER 18 -16.832 1.532 8.694 140 HB2 SER 18 HB2 SER 18 -19.392 2.451 7.365 141 HB3 SER 18 HB1 SER 18 -19.022 0.812 7.898 142 HG SER 18 HG SER 18 -18.634 2.084 10.031 143 H ARG 19 HN ARG 19 -15.419 3.225 6.682 144 HA ARG 19 HA ARG 19 -15.820 1.603 4.285 145 HB2 ARG 19 HB2 ARG 19 -14.191 4.022 4.910 146 HB3 ARG 19 HB1 ARG 19 -13.621 2.951 3.653 147 HG2 ARG 19 HG2 ARG 19 -14.911 4.826 2.820 148 HG3 ARG 19 HG1 ARG 19 -15.625 3.271 2.395 149 HD2 ARG 19 HD2 ARG 19 -16.563 4.707 4.843 150 HD3 ARG 19 HD1 ARG 19 -17.121 5.243 3.262 151 HE ARG 19 HE ARG 19 -17.445 2.412 3.836 152 HH11 ARG 19 HH11 ARG 19 -18.882 5.604 3.778 153 HH12 ARG 19 HH12 ARG 19 -20.511 5.010 3.780 154 HH21 ARG 19 HH21 ARG 19 -19.600 1.630 3.859 155 HH22 ARG 19 HH22 ARG 19 -20.920 2.757 3.832 156 H ILE 20 HN ILE 20 -15.014 -0.389 4.365 157 HA ILE 20 HA ILE 20 -12.392 -0.746 5.637 158 HB ILE 20 HB ILE 20 -14.572 -2.796 5.906 159 HG12 ILE 20 HG12 ILE 20 -14.290 -0.242 7.265 160 HG13 ILE 20 HG11 ILE 20 -15.623 -1.382 7.268 161 HG21 ILE 20 HG21 ILE 20 -13.169 -3.589 7.746 162 HG22 ILE 20 HG22 ILE 20 -12.001 -2.319 7.392 163 HG23 ILE 20 HG23 ILE 20 -12.303 -3.592 6.209 164 HD11 ILE 20 HD11 ILE 20 -13.216 -1.413 9.033 165 HD12 ILE 20 HD12 ILE 20 -14.421 -2.700 8.967 166 HD13 ILE 20 HD13 ILE 20 -14.888 -1.074 9.494 167 H LEU 21 HN LEU 21 -11.044 -1.377 4.151 168 HA LEU 21 HA LEU 21 -11.942 -3.246 2.065 169 HB2 LEU 21 HB2 LEU 21 -9.808 -1.126 2.120 170 HB3 LEU 21 HB1 LEU 21 -9.659 -2.485 1.000 171 HG LEU 21 HG LEU 21 -10.591 -0.585 -0.150 172 HD11 LEU 21 HD11 LEU 21 -12.601 -1.557 -1.055 173 HD12 LEU 21 HD12 LEU 21 -12.769 -2.601 0.355 174 HD13 LEU 21 HD13 LEU 21 -11.412 -2.823 -0.748 175 HD21 LEU 21 HD21 LEU 21 -11.527 0.616 1.753 176 HD22 LEU 21 HD22 LEU 21 -12.792 -0.602 1.911 177 HD23 LEU 21 HD23 LEU 21 -12.725 0.420 0.475 178 H GLN 22 HN GLN 22 -10.892 -5.209 1.852 179 HA GLN 22 HA GLN 22 -9.099 -5.913 4.031 180 HB2 GLN 22 HB2 GLN 22 -11.035 -7.346 3.650 181 HB3 GLN 22 HB1 GLN 22 -10.553 -7.588 1.974 182 HG2 GLN 22 HG2 GLN 22 -8.472 -8.614 2.793 183 HG3 GLN 22 HG1 GLN 22 -9.105 -8.521 4.433 184 HE21 GLN 22 HE21 GLN 22 -9.163 -10.711 4.758 185 HE22 GLN 22 HE22 GLN 22 -10.281 -11.755 3.951 186 H TYR 23 HN TYR 23 -7.005 -5.468 3.552 187 HA TYR 23 HA TYR 23 -6.151 -5.771 0.777 188 HB2 TYR 23 HB2 TYR 23 -4.376 -4.274 1.143 189 HB3 TYR 23 HB1 TYR 23 -5.762 -3.545 1.933 190 HD1 TYR 23 HD1 TYR 23 -5.953 -4.521 4.518 191 HD2 TYR 23 HD2 TYR 23 -2.417 -4.005 2.232 192 HE1 TYR 23 HE1 TYR 23 -4.656 -4.404 6.592 193 HE2 TYR 23 HE2 TYR 23 -1.083 -3.880 4.293 194 HH TYR 23 HH TYR 23 -1.380 -3.387 6.652 195 H HIS 24 HN HIS 24 -4.861 -7.283 0.158 196 HA HIS 24 HA HIS 24 -3.432 -8.889 2.165 197 HB2 HIS 24 HB2 HIS 24 -4.970 -10.178 0.833 198 HB3 HIS 24 HB1 HIS 24 -4.317 -9.525 -0.652 199 HD1 HIS 24 HD1 HIS 24 -1.740 -10.478 1.824 200 HD2 HIS 24 HD2 HIS 24 -3.780 -12.266 -1.341 201 HE1 HIS 24 HE1 HIS 24 -0.431 -12.548 1.245 202 HE2 HIS 24 HE2 HIS 24 -1.687 -13.620 -0.658 203 H CYS 25 HN CYS 25 -1.480 -7.837 2.352 204 HA CYS 25 HA CYS 25 -0.166 -7.214 -0.169 205 HB2 CYS 25 HB2 CYS 25 -0.494 -5.563 1.865 206 HB3 CYS 25 HB1 CYS 25 0.946 -6.375 2.466 207 H ARG 26 HN ARG 26 0.432 -9.260 -0.747 208 HA ARG 26 HA ARG 26 3.124 -9.537 0.035 209 HB2 ARG 26 HB2 ARG 26 1.912 -11.093 1.554 210 HB3 ARG 26 HB1 ARG 26 1.420 -11.936 0.091 211 HG2 ARG 26 HG2 ARG 26 3.710 -12.485 -0.432 212 HG3 ARG 26 HG1 ARG 26 4.254 -11.593 0.989 213 HD2 ARG 26 HD2 ARG 26 4.216 -13.992 1.422 214 HD3 ARG 26 HD1 ARG 26 3.056 -13.141 2.438 215 HE ARG 26 HE ARG 26 1.943 -14.199 -0.006 216 HH11 ARG 26 HH11 ARG 26 2.682 -14.856 3.353 217 HH12 ARG 26 HH12 ARG 26 1.507 -16.124 3.498 218 HH21 ARG 26 HH21 ARG 26 0.396 -15.876 0.177 219 HH22 ARG 26 HH22 ARG 26 0.212 -16.709 1.689 220 H SER 27 HN SER 27 3.460 -8.952 -2.090 221 HA SER 27 HA SER 27 4.121 -11.027 -3.836 222 HB2 SER 27 HB2 SER 27 2.684 -10.206 -5.819 223 HB3 SER 27 HB1 SER 27 1.961 -11.290 -4.633 224 HG SER 27 HG SER 27 0.582 -9.786 -4.169 225 H GLY 28 HN GLY 28 6.113 -10.051 -4.008 226 HA2 GLY 28 HA2 GLY 28 7.752 -8.728 -4.891 227 HA3 GLY 28 HA1 GLY 28 6.631 -8.442 -6.200 228 H ASN 29 HN ASN 29 5.996 -7.263 -2.967 229 HA ASN 29 HA ASN 29 7.246 -4.689 -3.491 230 HB2 ASN 29 HB2 ASN 29 4.356 -5.191 -3.247 231 HB3 ASN 29 HB1 ASN 29 4.961 -3.743 -2.470 232 HD21 ASN 29 HD21 ASN 29 4.473 -5.408 -5.475 233 HD22 ASN 29 HD22 ASN 29 4.770 -4.055 -6.510 234 H THR 30 HN THR 30 4.945 -5.146 -0.746 235 HA THR 30 HA THR 30 7.104 -5.860 1.044 236 HB THR 30 HB THR 30 5.971 -3.732 2.438 237 HG1 THR 30 HG1 THR 30 6.215 -2.039 1.071 238 HG21 THR 30 HG21 THR 30 8.216 -4.686 2.681 239 HG22 THR 30 HG22 THR 30 8.259 -2.938 2.465 240 HG23 THR 30 HG23 THR 30 8.664 -4.007 1.118 241 H ASN 31 HN ASN 31 6.345 -7.249 2.625 242 HA ASN 31 HA ASN 31 3.586 -8.081 2.347 243 HB2 ASN 31 HB2 ASN 31 5.268 -9.791 2.399 244 HB3 ASN 31 HB1 ASN 31 5.898 -9.209 3.932 245 HD21 ASN 31 HD21 ASN 31 4.927 -9.836 5.816 246 HD22 ASN 31 HD22 ASN 31 3.637 -10.984 5.889 247 H VAL 32 HN VAL 32 1.983 -8.066 3.799 248 HA VAL 32 HA VAL 32 2.689 -7.813 6.558 249 HB VAL 32 HB VAL 32 0.445 -6.440 6.763 250 HG11 VAL 32 HG11 VAL 32 1.965 -4.469 6.959 251 HG12 VAL 32 HG12 VAL 32 3.258 -5.452 6.240 252 HG13 VAL 32 HG13 VAL 32 2.570 -5.888 7.812 253 HG21 VAL 32 HG21 VAL 32 0.100 -6.300 4.451 254 HG22 VAL 32 HG22 VAL 32 1.785 -5.868 4.203 255 HG23 VAL 32 HG23 VAL 32 0.687 -4.715 4.968 256 H GLY 33 HN GLY 33 0.578 -9.121 4.164 257 HA2 GLY 33 HA2 GLY 33 -0.362 -11.265 4.699 258 HA3 GLY 33 HA1 GLY 33 -0.768 -10.607 6.286 259 H VAL 34 HN VAL 34 -2.903 -10.563 6.313 260 HA VAL 34 HA VAL 34 -4.283 -9.157 4.156 261 HB VAL 34 HB VAL 34 -5.174 -11.869 5.118 262 HG11 VAL 34 HG11 VAL 34 -6.053 -10.137 2.806 263 HG12 VAL 34 HG12 VAL 34 -6.963 -10.435 4.287 264 HG13 VAL 34 HG13 VAL 34 -6.655 -11.757 3.159 265 HG21 VAL 34 HG21 VAL 34 -4.190 -11.590 2.372 266 HG22 VAL 34 HG22 VAL 34 -3.921 -12.881 3.546 267 HG23 VAL 34 HG23 VAL 34 -2.940 -11.394 3.616 268 H GLN 35 HN GLN 35 -4.948 -7.524 5.475 269 HA GLN 35 HA GLN 35 -6.595 -8.276 7.795 270 HB2 GLN 35 HB2 GLN 35 -4.489 -6.153 7.557 271 HB3 GLN 35 HB1 GLN 35 -5.808 -5.973 8.704 272 HG2 GLN 35 HG2 GLN 35 -5.189 -8.105 9.717 273 HG3 GLN 35 HG1 GLN 35 -3.819 -8.224 8.609 274 HE21 GLN 35 HE21 GLN 35 -2.107 -6.723 8.822 275 HE22 GLN 35 HE22 GLN 35 -1.839 -5.873 10.302 276 H TYR 36 HN TYR 36 -7.948 -6.351 8.505 277 HA TYR 36 HA TYR 36 -9.168 -5.227 6.091 278 HB2 TYR 36 HB2 TYR 36 -10.271 -5.784 8.825 279 HB3 TYR 36 HB1 TYR 36 -11.029 -4.584 7.805 280 HD1 TYR 36 HD1 TYR 36 -9.644 -7.996 7.257 281 HD2 TYR 36 HD2 TYR 36 -12.964 -5.380 6.818 282 HE1 TYR 36 HE1 TYR 36 -10.886 -9.778 6.152 283 HE2 TYR 36 HE2 TYR 36 -14.223 -7.163 5.697 284 HH TYR 36 HH TYR 36 -13.707 -9.258 4.405 285 H LEU 37 HN LEU 37 -9.692 -3.111 5.930 286 HA LEU 37 HA LEU 37 -7.969 -1.338 7.500 287 HB2 LEU 37 HB2 LEU 37 -9.238 -0.977 4.785 288 HB3 LEU 37 HB1 LEU 37 -8.122 0.136 5.553 289 HG LEU 37 HG LEU 37 -7.370 -2.689 4.844 290 HD11 LEU 37 HD11 LEU 37 -7.994 -1.574 2.801 291 HD12 LEU 37 HD12 LEU 37 -6.236 -1.688 2.890 292 HD13 LEU 37 HD13 LEU 37 -7.039 -0.158 3.240 293 HD21 LEU 37 HD21 LEU 37 -5.770 -0.222 5.517 294 HD22 LEU 37 HD22 LEU 37 -5.094 -1.776 5.027 295 HD23 LEU 37 HD23 LEU 37 -5.989 -1.642 6.539 296 H ASN 38 HN ASN 38 -9.267 -0.671 9.186 297 HA ASN 38 HA ASN 38 -12.000 0.149 8.605 298 HB2 ASN 38 HB2 ASN 38 -11.906 0.682 11.169 299 HB3 ASN 38 HB1 ASN 38 -12.095 -0.959 10.595 300 HD21 ASN 38 HD21 ASN 38 -10.385 -2.412 10.833 301 HD22 ASN 38 HD22 ASN 38 -9.037 -2.084 11.864 302 H PHE 39 HN PHE 39 -12.786 2.099 8.760 303 HA PHE 39 HA PHE 39 -11.255 4.170 7.746 304 HB2 PHE 39 HB2 PHE 39 -13.508 4.402 7.336 305 HB3 PHE 39 HB1 PHE 39 -13.941 4.076 9.001 306 HD1 PHE 39 HD1 PHE 39 -12.439 6.594 6.776 307 HD2 PHE 39 HD2 PHE 39 -14.359 5.897 10.539 308 HE1 PHE 39 HE1 PHE 39 -12.636 9.015 7.124 309 HE2 PHE 39 HE2 PHE 39 -14.547 8.325 10.864 310 HZ PHE 39 HZ PHE 39 -13.765 9.843 9.339 311 H LYS 40 HN LYS 40 -10.667 6.209 8.559 312 HA LYS 40 HA LYS 40 -9.114 7.304 9.705 313 HB2 LYS 40 HB2 LYS 40 -9.511 7.904 12.004 314 HB3 LYS 40 HB1 LYS 40 -10.956 8.123 11.028 315 HG2 LYS 40 HG2 LYS 40 -11.903 6.096 12.004 316 HG3 LYS 40 HG1 LYS 40 -10.429 5.856 12.946 317 HD2 LYS 40 HD2 LYS 40 -10.859 8.162 13.924 318 HD3 LYS 40 HD1 LYS 40 -12.462 8.059 13.193 319 HE2 LYS 40 HE2 LYS 40 -11.294 6.128 15.192 320 HE3 LYS 40 HE1 LYS 40 -12.512 7.355 15.528 321 HZ1 LYS 40 HZ1 LYS 40 -14.042 6.227 14.086 322 HZ2 LYS 40 HZ2 LYS 40 -13.446 5.122 15.215 323 HZ3 LYS 40 HZ3 LYS 40 -12.867 5.101 13.632 324 H GLY 41 HN GLY 41 -7.327 6.231 9.427 325 HA2 GLY 41 HA2 GLY 41 -5.627 5.624 11.269 326 HA3 GLY 41 HA1 GLY 41 -6.644 4.201 11.402 327 H THR 42 HN THR 42 -3.816 4.685 10.546 328 HA THR 42 HA THR 42 -3.825 3.772 7.762 329 HB THR 42 HB THR 42 -1.254 3.951 8.248 330 HG1 THR 42 HG1 THR 42 -1.848 6.000 9.990 331 HG21 THR 42 HG21 THR 42 -1.352 6.342 7.675 332 HG22 THR 42 HG22 THR 42 -3.076 6.340 8.043 333 HG23 THR 42 HG23 THR 42 -2.457 5.366 6.707 334 H ARG 43 HN ARG 43 -2.624 1.926 7.147 335 HA ARG 43 HA ARG 43 -2.093 -0.020 9.289 336 HB2 ARG 43 HB2 ARG 43 -3.888 -0.279 7.131 337 HB3 ARG 43 HB1 ARG 43 -2.488 -1.249 6.703 338 HG2 ARG 43 HG2 ARG 43 -3.805 -2.774 7.803 339 HG3 ARG 43 HG1 ARG 43 -2.745 -2.216 9.096 340 HD2 ARG 43 HD2 ARG 43 -5.535 -1.202 8.561 341 HD3 ARG 43 HD1 ARG 43 -5.099 -2.374 9.799 342 HE ARG 43 HE ARG 43 -3.782 0.221 9.910 343 HH11 ARG 43 HH11 ARG 43 -6.246 -1.921 11.158 344 HH12 ARG 43 HH12 ARG 43 -6.527 -0.975 12.582 345 HH21 ARG 43 HH21 ARG 43 -4.140 1.473 11.768 346 HH22 ARG 43 HH22 ARG 43 -5.321 0.964 12.935 347 H ILE 44 HN ILE 44 0.074 -0.252 9.447 348 HA ILE 44 HA ILE 44 1.542 0.802 7.144 349 HB ILE 44 HB ILE 44 2.378 0.934 10.037 350 HG12 ILE 44 HG12 ILE 44 2.078 3.471 9.312 351 HG13 ILE 44 HG11 ILE 44 0.923 2.762 8.189 352 HG21 ILE 44 HG21 ILE 44 4.189 2.296 9.272 353 HG22 ILE 44 HG22 ILE 44 3.537 2.311 7.636 354 HG23 ILE 44 HG23 ILE 44 4.201 0.815 8.303 355 HD11 ILE 44 HD11 ILE 44 -0.177 3.525 10.209 356 HD12 ILE 44 HD12 ILE 44 0.870 2.497 11.186 357 HD13 ILE 44 HD13 ILE 44 -0.281 1.770 10.065 358 H ILE 45 HN ILE 45 2.870 -0.311 6.147 359 HA ILE 45 HA ILE 45 3.940 -2.802 7.139 360 HB ILE 45 HB ILE 45 4.232 -1.507 4.515 361 HG12 ILE 45 HG12 ILE 45 2.411 -3.674 5.330 362 HG13 ILE 45 HG11 ILE 45 1.957 -1.987 5.266 363 HG21 ILE 45 HG21 ILE 45 4.646 -3.868 3.783 364 HG22 ILE 45 HG22 ILE 45 4.799 -4.271 5.491 365 HG23 ILE 45 HG23 ILE 45 5.931 -3.143 4.748 366 HD11 ILE 45 HD11 ILE 45 2.612 -3.841 3.071 367 HD12 ILE 45 HD12 ILE 45 2.880 -2.112 2.875 368 HD13 ILE 45 HD13 ILE 45 1.252 -2.722 3.224 369 H LYS 46 HN LYS 46 6.262 -3.192 6.965 370 HA LYS 46 HA LYS 46 7.946 -1.037 6.184 371 HB2 LYS 46 HB2 LYS 46 9.146 -0.722 8.334 372 HB3 LYS 46 HB1 LYS 46 7.484 -0.162 8.357 373 HG2 LYS 46 HG2 LYS 46 6.812 -2.188 9.549 374 HG3 LYS 46 HG1 LYS 46 8.489 -2.740 9.536 375 HD2 LYS 46 HD2 LYS 46 7.980 -1.737 11.678 376 HD3 LYS 46 HD1 LYS 46 9.130 -0.721 10.807 377 HE2 LYS 46 HE2 LYS 46 7.293 0.750 10.113 378 HE3 LYS 46 HE1 LYS 46 6.152 -0.267 10.990 379 HZ1 LYS 46 HZ1 LYS 46 8.378 1.300 12.172 380 HZ2 LYS 46 HZ2 LYS 46 7.366 0.262 13.040 381 HZ3 LYS 46 HZ3 LYS 46 6.729 1.644 12.303 382 H PHE 47 HN PHE 47 9.733 -1.703 5.414 383 HA PHE 47 HA PHE 47 11.104 -4.085 6.347 384 HB2 PHE 47 HB2 PHE 47 10.136 -3.818 3.471 385 HB3 PHE 47 HB1 PHE 47 11.375 -4.955 3.974 386 HD1 PHE 47 HD1 PHE 47 7.864 -4.012 4.817 387 HD2 PHE 47 HD2 PHE 47 10.736 -7.122 4.419 388 HE1 PHE 47 HE1 PHE 47 6.109 -5.663 5.267 389 HE2 PHE 47 HE2 PHE 47 9.001 -8.786 4.895 390 HZ PHE 47 HZ PHE 47 6.689 -8.064 5.326 391 H LYS 48 HN LYS 48 13.125 -3.376 6.620 392 HA LYS 48 HA LYS 48 13.839 -0.842 5.276 393 HB2 LYS 48 HB2 LYS 48 14.575 0.017 7.420 394 HB3 LYS 48 HB1 LYS 48 12.872 -0.405 7.424 395 HG2 LYS 48 HG2 LYS 48 14.872 -2.377 8.451 396 HG3 LYS 48 HG1 LYS 48 14.364 -1.027 9.463 397 HD2 LYS 48 HD2 LYS 48 12.031 -1.724 9.230 398 HD3 LYS 48 HD1 LYS 48 12.529 -3.065 8.199 399 HE2 LYS 48 HE2 LYS 48 12.139 -3.864 10.445 400 HE3 LYS 48 HE1 LYS 48 13.856 -3.973 10.066 401 HZ1 LYS 48 HZ1 LYS 48 13.545 -3.106 12.272 402 HZ2 LYS 48 HZ2 LYS 48 12.551 -1.865 11.701 403 HZ3 LYS 48 HZ3 LYS 48 14.193 -1.893 11.289 404 H ASP 49 HN ASP 49 14.781 -3.452 4.607 405 HA ASP 49 HA ASP 49 17.582 -3.398 5.452 406 HB2 ASP 49 HB2 ASP 49 16.142 -5.354 3.642 407 HB3 ASP 49 HB1 ASP 49 17.791 -5.517 4.233 408 H ASP 50 HN ASP 50 19.210 -3.733 3.580 409 HA ASP 50 HA ASP 50 18.457 -2.615 1.054 410 HB2 ASP 50 HB2 ASP 50 19.963 -0.660 1.142 411 HB3 ASP 50 HB1 ASP 50 18.656 -0.533 2.307 412 H GLY 51 HN GLY 51 19.320 -4.177 -0.064 413 HA2 GLY 51 HA2 GLY 51 21.870 -4.163 -0.957 414 HA3 GLY 51 HA1 GLY 51 21.961 -5.204 0.456 415 H THR 52 HN THR 52 19.227 -6.190 0.049 416 HA THR 52 HA THR 52 19.591 -7.824 -2.376 417 HB THR 52 HB THR 52 18.812 -9.781 -1.169 418 HG1 THR 52 HG1 THR 52 18.752 -9.711 1.132 419 HG21 THR 52 HG21 THR 52 21.199 -9.492 -1.454 420 HG22 THR 52 HG22 THR 52 20.873 -10.222 0.119 421 HG23 THR 52 HG23 THR 52 21.277 -8.510 0.008 422 H GLU 53 HN GLU 53 17.504 -9.134 -2.799 423 HA GLU 53 HA GLU 53 15.258 -7.276 -2.635 424 HB2 GLU 53 HB2 GLU 53 15.615 -9.808 -4.244 425 HB3 GLU 53 HB1 GLU 53 14.273 -8.691 -4.377 426 HG2 GLU 53 HG2 GLU 53 15.744 -6.958 -5.198 427 HG3 GLU 53 HG1 GLU 53 17.138 -8.016 -4.976 428 H ARG 54 HN ARG 54 15.658 -8.303 -0.211 429 HA ARG 54 HA ARG 54 14.324 -10.852 0.110 430 HB2 ARG 54 HB2 ARG 54 15.041 -10.839 2.338 431 HB3 ARG 54 HB1 ARG 54 16.379 -10.194 1.411 432 HG2 ARG 54 HG2 ARG 54 14.410 -8.537 2.979 433 HG3 ARG 54 HG1 ARG 54 15.985 -9.050 3.575 434 HD2 ARG 54 HD2 ARG 54 16.797 -7.161 2.727 435 HD3 ARG 54 HD1 ARG 54 16.530 -7.853 1.129 436 HE ARG 54 HE ARG 54 14.116 -6.742 1.955 437 HH11 ARG 54 HH11 ARG 54 17.353 -5.610 1.267 438 HH12 ARG 54 HH12 ARG 54 16.829 -4.037 0.760 439 HH21 ARG 54 HH21 ARG 54 13.427 -4.678 1.288 440 HH22 ARG 54 HH22 ARG 54 14.584 -3.509 0.747 441 H SER 55 HN SER 55 13.130 -7.947 -0.368 442 HA SER 55 HA SER 55 10.811 -8.384 1.342 443 HB2 SER 55 HB2 SER 55 12.027 -5.658 0.893 444 HB3 SER 55 HB1 SER 55 10.681 -6.061 1.957 445 HG SER 55 HG SER 55 12.171 -7.334 3.189 446 H ARG 56 HN ARG 56 9.792 -9.182 -0.528 447 HA ARG 56 HA ARG 56 8.818 -7.074 -2.236 448 HB2 ARG 56 HB2 ARG 56 9.235 -8.442 -4.176 449 HB3 ARG 56 HB1 ARG 56 10.682 -8.071 -3.307 450 HG2 ARG 56 HG2 ARG 56 10.506 -10.349 -2.257 451 HG3 ARG 56 HG1 ARG 56 9.228 -10.691 -3.425 452 HD2 ARG 56 HD2 ARG 56 12.108 -10.016 -3.997 453 HD3 ARG 56 HD1 ARG 56 11.289 -11.549 -4.293 454 HE ARG 56 HE ARG 56 9.858 -9.823 -5.793 455 HH11 ARG 56 HH11 ARG 56 13.280 -10.478 -5.528 456 HH12 ARG 56 HH12 ARG 56 13.634 -9.983 -7.152 457 HH21 ARG 56 HH21 ARG 56 10.310 -9.188 -7.939 458 HH22 ARG 56 HH22 ARG 56 11.942 -9.260 -8.530 459 H TRP 57 HN TRP 57 6.804 -7.013 -1.372 460 HA TRP 57 HA TRP 57 5.027 -9.212 -2.016 461 HB2 TRP 57 HB2 TRP 57 4.712 -8.421 0.784 462 HB3 TRP 57 HB1 TRP 57 4.698 -10.009 0.036 463 HD1 TRP 57 HD1 TRP 57 7.287 -7.438 1.247 464 HE1 TRP 57 HE1 TRP 57 9.386 -8.597 2.044 465 HE3 TRP 57 HE3 TRP 57 5.937 -12.203 0.077 466 HZ2 TRP 57 HZ2 TRP 57 10.357 -11.264 2.188 467 HZ3 TRP 57 HZ3 TRP 57 7.517 -14.013 0.589 468 HH2 TRP 57 HH2 TRP 57 9.677 -13.556 1.620 469 H ASN 58 HN ASN 58 3.254 -8.050 -3.097 470 HA ASN 58 HA ASN 58 2.768 -5.186 -2.443 471 HB2 ASN 58 HB2 ASN 58 2.797 -5.137 -4.677 472 HB3 ASN 58 HB1 ASN 58 2.669 -6.884 -4.801 473 HD21 ASN 58 HD21 ASN 58 0.654 -7.825 -5.079 474 HD22 ASN 58 HD22 ASN 58 -0.735 -6.897 -5.541 475 H CYS 59 HN CYS 59 0.509 -4.341 -2.490 476 HA CYS 59 HA CYS 59 -1.116 -5.966 -0.670 477 HB2 CYS 59 HB2 CYS 59 -1.474 -3.026 -1.209 478 HB3 CYS 59 HB1 CYS 59 -1.990 -3.940 0.209 479 H LEU 60 HN LEU 60 -3.217 -6.545 -1.090 480 HA LEU 60 HA LEU 60 -4.320 -5.633 -3.658 481 HB2 LEU 60 HB2 LEU 60 -3.222 -7.867 -3.834 482 HB3 LEU 60 HB1 LEU 60 -4.306 -8.463 -2.597 483 HG LEU 60 HG LEU 60 -6.222 -8.019 -4.113 484 HD11 LEU 60 HD11 LEU 60 -5.766 -7.626 -6.486 485 HD12 LEU 60 HD12 LEU 60 -4.055 -7.415 -6.117 486 HD13 LEU 60 HD13 LEU 60 -5.241 -6.273 -5.484 487 HD21 LEU 60 HD21 LEU 60 -5.233 -10.235 -3.954 488 HD22 LEU 60 HD22 LEU 60 -4.058 -9.813 -5.200 489 HD23 LEU 60 HD23 LEU 60 -5.772 -9.908 -5.601 490 H PHE 61 HN PHE 61 -6.303 -4.785 -3.337 491 HA PHE 61 HA PHE 61 -7.489 -5.249 -0.689 492 HB2 PHE 61 HB2 PHE 61 -8.169 -3.136 -2.768 493 HB3 PHE 61 HB1 PHE 61 -8.919 -3.274 -1.195 494 HD1 PHE 61 HD1 PHE 61 -5.315 -3.822 -1.242 495 HD2 PHE 61 HD2 PHE 61 -8.389 -0.910 -1.007 496 HE1 PHE 61 HE1 PHE 61 -3.710 -2.197 -0.420 497 HE2 PHE 61 HE2 PHE 61 -6.780 0.739 -0.234 498 HZ PHE 61 HZ PHE 61 -4.421 0.105 0.083 499 H ARG 62 HN ARG 62 -9.342 -6.409 -0.461 500 HA ARG 62 HA ARG 62 -10.644 -7.292 -2.967 501 HB2 ARG 62 HB2 ARG 62 -9.305 -9.078 -1.999 502 HB3 ARG 62 HB1 ARG 62 -10.090 -8.868 -0.441 503 HG2 ARG 62 HG2 ARG 62 -12.165 -9.669 -1.295 504 HG3 ARG 62 HG1 ARG 62 -11.546 -9.674 -2.946 505 HD2 ARG 62 HD2 ARG 62 -11.597 -11.923 -2.029 506 HD3 ARG 62 HD1 ARG 62 -9.942 -11.410 -2.340 507 HE ARG 62 HE ARG 62 -10.262 -10.797 0.261 508 HH11 ARG 62 HH11 ARG 62 -10.934 -13.702 -1.570 509 HH12 ARG 62 HH12 ARG 62 -10.613 -14.771 -0.242 510 HH21 ARG 62 HH21 ARG 62 -9.813 -12.204 2.011 511 HH22 ARG 62 HH22 ARG 62 -9.970 -13.918 1.798 512 H GLN 63 HN GLN 63 -12.666 -6.850 -3.139 513 HA GLN 63 HA GLN 63 -14.708 -7.482 -1.400 514 HB2 GLN 63 HB2 GLN 63 -13.811 -5.572 -0.033 515 HB3 GLN 63 HB1 GLN 63 -14.134 -4.502 -1.390 516 HG2 GLN 63 HG2 GLN 63 -16.515 -5.022 -1.235 517 HG3 GLN 63 HG1 GLN 63 -16.192 -6.092 0.126 518 HE21 GLN 63 HE21 GLN 63 -17.505 -4.917 1.499 519 HE22 GLN 63 HE22 GLN 63 -17.052 -3.365 2.108 520 H GLY 64 HN GLY 64 -16.725 -7.195 -2.500 521 HA2 GLY 64 HA2 GLY 64 -17.550 -5.393 -4.274 522 HA3 GLY 64 HA1 GLY 64 -16.422 -6.302 -5.263 523 H ILE 65 HN ILE 65 -17.858 -7.154 -6.678 524 HA ILE 65 HA ILE 65 -20.025 -8.761 -5.564 525 HB ILE 65 HB ILE 65 -21.153 -7.006 -6.505 526 HG12 ILE 65 HG12 ILE 65 -22.195 -7.825 -8.630 527 HG13 ILE 65 HG11 ILE 65 -20.996 -9.114 -8.668 528 HG21 ILE 65 HG21 ILE 65 -19.113 -6.092 -7.549 529 HG22 ILE 65 HG22 ILE 65 -20.595 -5.841 -8.468 530 HG23 ILE 65 HG23 ILE 65 -19.448 -7.083 -8.964 531 HD11 ILE 65 HD11 ILE 65 -23.060 -8.674 -6.524 532 HD12 ILE 65 HD12 ILE 65 -21.850 -9.954 -6.536 533 HD13 ILE 65 HD13 ILE 65 -23.100 -9.911 -7.779 534 H ASN 66 HN ASN 66 -18.893 -8.532 -8.905 535 HA ASN 66 HA ASN 66 -18.293 -11.403 -8.826 536 HB2 ASN 66 HB2 ASN 66 -18.685 -11.352 -11.304 537 HB3 ASN 66 HB1 ASN 66 -20.113 -10.985 -10.349 538 HD21 ASN 66 HD21 ASN 66 -21.128 -9.922 -12.000 539 HD22 ASN 66 HD22 ASN 66 -20.615 -8.375 -12.580 540 H MET 67 HN MET 67 -16.954 -11.157 -11.480 541 HA MET 67 HA MET 67 -14.318 -10.844 -10.681 542 HB2 MET 67 HB2 MET 67 -13.762 -10.746 -13.077 543 HB3 MET 67 HB1 MET 67 -14.920 -12.018 -12.716 544 HG2 MET 67 HG2 MET 67 -16.735 -10.567 -13.505 545 HG3 MET 67 HG1 MET 67 -15.551 -9.329 -13.903 546 HE1 MET 67 HE1 MET 67 -13.537 -10.963 -16.806 547 HE2 MET 67 HE2 MET 67 -13.129 -11.080 -15.095 548 HE3 MET 67 HE3 MET 67 -13.728 -9.559 -15.756 549 H LYS 68 HN LYS 68 -16.614 -8.380 -11.377 550 HA LYS 68 HA LYS 68 -14.627 -6.309 -11.769 551 HB2 LYS 68 HB2 LYS 68 -17.614 -6.391 -11.631 552 HB3 LYS 68 HB1 LYS 68 -16.801 -4.865 -11.318 553 HG2 LYS 68 HG2 LYS 68 -17.468 -5.006 -13.639 554 HG3 LYS 68 HG1 LYS 68 -15.710 -4.985 -13.503 555 HD2 LYS 68 HD2 LYS 68 -15.706 -7.446 -13.741 556 HD3 LYS 68 HD1 LYS 68 -17.453 -7.399 -13.987 557 HE2 LYS 68 HE2 LYS 68 -16.318 -7.529 -16.122 558 HE3 LYS 68 HE1 LYS 68 -17.115 -5.966 -15.955 559 HZ1 LYS 68 HZ1 LYS 68 -14.896 -5.737 -16.873 560 HZ2 LYS 68 HZ2 LYS 68 -14.222 -6.488 -15.518 561 HZ3 LYS 68 HZ3 LYS 68 -14.987 -4.989 -15.361 562 H PHE 69 HN PHE 69 -13.395 -6.675 -9.853 563 HA PHE 69 HA PHE 69 -14.192 -4.973 -7.730 564 HB2 PHE 69 HB2 PHE 69 -14.326 -6.531 -5.914 565 HB3 PHE 69 HB1 PHE 69 -15.456 -7.058 -7.150 566 HD1 PHE 69 HD1 PHE 69 -13.572 -8.433 -8.992 567 HD2 PHE 69 HD2 PHE 69 -13.870 -8.522 -4.748 568 HE1 PHE 69 HE1 PHE 69 -12.542 -10.665 -8.970 569 HE2 PHE 69 HE2 PHE 69 -12.840 -10.755 -4.720 570 HZ PHE 69 HZ PHE 69 -12.262 -11.866 -6.732 571 H PHE 70 HN PHE 70 -12.439 -5.650 -5.738 572 HA PHE 70 HA PHE 70 -10.244 -5.987 -5.096 573 HB2 PHE 70 HB2 PHE 70 -10.456 -7.263 -7.637 574 HB3 PHE 70 HB1 PHE 70 -8.846 -6.608 -7.418 575 HD1 PHE 70 HD1 PHE 70 -8.412 -7.025 -4.560 576 HD2 PHE 70 HD2 PHE 70 -10.274 -9.524 -7.431 577 HE1 PHE 70 HE1 PHE 70 -7.848 -8.974 -3.217 578 HE2 PHE 70 HE2 PHE 70 -9.715 -11.465 -6.121 579 HZ PHE 70 HZ PHE 70 -8.443 -11.197 -3.961 580 H THR 71 HN THR 71 -8.164 -4.984 -5.294 581 HA THR 71 HA THR 71 -7.449 -3.430 -7.550 582 HB THR 71 HB THR 71 -8.916 -1.841 -6.054 583 HG1 THR 71 HG1 THR 71 -8.077 -0.723 -7.635 584 HG21 THR 71 HG21 THR 71 -6.366 -2.061 -4.553 585 HG22 THR 71 HG22 THR 71 -7.989 -1.701 -3.961 586 HG23 THR 71 HG23 THR 71 -7.039 -0.446 -4.765 587 H GLU 72 HN GLU 72 -5.337 -3.416 -7.779 588 HA GLU 72 HA GLU 72 -3.802 -4.618 -5.603 589 HB2 GLU 72 HB2 GLU 72 -3.638 -5.836 -7.661 590 HB3 GLU 72 HB1 GLU 72 -3.322 -4.368 -8.572 591 HG2 GLU 72 HG2 GLU 72 -1.170 -4.139 -7.387 592 HG3 GLU 72 HG1 GLU 72 -1.491 -5.664 -6.566 593 H VAL 73 HN VAL 73 -2.582 -3.311 -4.398 594 HA VAL 73 HA VAL 73 -1.509 -0.912 -5.683 595 HB VAL 73 HB VAL 73 -1.881 -0.567 -2.826 596 HG11 VAL 73 HG11 VAL 73 -1.209 1.240 -4.231 597 HG12 VAL 73 HG12 VAL 73 -2.847 1.584 -3.676 598 HG13 VAL 73 HG13 VAL 73 -2.577 0.984 -5.311 599 HG21 VAL 73 HG21 VAL 73 -4.311 -0.102 -3.016 600 HG22 VAL 73 HG22 VAL 73 -3.901 -1.821 -3.115 601 HG23 VAL 73 HG23 VAL 73 -4.289 -0.911 -4.588 602 H GLU 74 HN GLU 74 0.565 -1.203 -5.823 603 HA GLU 74 HA GLU 74 1.988 -3.196 -4.359 604 HB2 GLU 74 HB2 GLU 74 2.998 -0.950 -6.123 605 HB3 GLU 74 HB1 GLU 74 3.886 -2.394 -5.650 606 HG2 GLU 74 HG2 GLU 74 2.230 -3.766 -6.852 607 HG3 GLU 74 HG1 GLU 74 1.413 -2.290 -7.369 608 H ALA 75 HN ALA 75 2.811 -3.052 -2.514 609 HA ALA 75 HA ALA 75 2.939 -0.786 -0.904 610 HB1 ALA 75 HB1 ALA 75 3.921 -3.584 -0.742 611 HB2 ALA 75 HB2 ALA 75 2.827 -2.698 0.325 612 HB3 ALA 75 HB3 ALA 75 4.565 -2.402 0.391 613 H TYR 76 HN TYR 76 5.834 -2.699 -1.966 614 HA TYR 76 HA TYR 76 7.185 -0.283 -2.823 615 HB2 TYR 76 HB2 TYR 76 7.863 0.342 -0.736 616 HB3 TYR 76 HB1 TYR 76 7.443 -1.230 -0.061 617 HD1 TYR 76 HD1 TYR 76 10.014 -0.061 -2.527 618 HD2 TYR 76 HD2 TYR 76 9.212 -2.190 1.045 619 HE1 TYR 76 HE1 TYR 76 12.391 -0.654 -2.347 620 HE2 TYR 76 HE2 TYR 76 11.565 -2.802 1.238 621 HH TYR 76 HH TYR 76 13.999 -1.336 -0.557 622 H ARG 77 HN ARG 77 8.104 -1.083 -4.645 623 HA ARG 77 HA ARG 77 9.113 -3.803 -4.612 624 HB2 ARG 77 HB2 ARG 77 9.613 -3.432 -7.016 625 HB3 ARG 77 HB1 ARG 77 7.925 -3.207 -6.595 626 HG2 ARG 77 HG2 ARG 77 8.182 -0.808 -6.688 627 HG3 ARG 77 HG1 ARG 77 9.913 -0.982 -6.996 628 HD2 ARG 77 HD2 ARG 77 8.540 -0.552 -9.040 629 HD3 ARG 77 HD1 ARG 77 9.503 -2.027 -9.106 630 HE ARG 77 HE ARG 77 6.597 -1.937 -8.593 631 HH11 ARG 77 HH11 ARG 77 9.451 -3.583 -9.789 632 HH12 ARG 77 HH12 ARG 77 8.571 -4.961 -10.365 633 HH21 ARG 77 HH21 ARG 77 5.435 -3.778 -9.323 634 HH22 ARG 77 HH22 ARG 77 6.302 -5.073 -10.101 635 HA PRO 78 HA PRO 78 13.152 -2.456 -3.517 636 HB2 PRO 78 HB2 PRO 78 14.376 -4.847 -3.574 637 HB3 PRO 78 HB1 PRO 78 13.189 -4.434 -2.331 638 HG2 PRO 78 HG2 PRO 78 12.848 -6.076 -4.808 639 HG3 PRO 78 HG1 PRO 78 12.222 -6.370 -3.175 640 HD2 PRO 78 HD2 PRO 78 10.739 -5.284 -5.211 641 HD3 PRO 78 HD1 PRO 78 10.421 -4.994 -3.490 642 H ASP 79 HN ASP 79 14.742 -1.579 -4.634 643 HA ASP 79 HA ASP 79 15.420 -2.590 -7.293 644 HB2 ASP 79 HB2 ASP 79 15.890 0.018 -5.909 645 HB3 ASP 79 HB1 ASP 79 16.845 -0.440 -7.311 646 H LEU 80 HN LEU 80 17.238 -3.720 -7.596 647 HA LEU 80 HA LEU 80 18.824 -4.385 -5.321 648 HB2 LEU 80 HB2 LEU 80 18.110 -5.959 -7.177 649 HB3 LEU 80 HB1 LEU 80 19.330 -5.183 -8.154 650 HG LEU 80 HG LEU 80 19.907 -7.429 -7.063 651 HD11 LEU 80 HD11 LEU 80 21.756 -5.086 -6.648 652 HD12 LEU 80 HD12 LEU 80 21.583 -6.027 -8.130 653 HD13 LEU 80 HD13 LEU 80 22.228 -6.785 -6.675 654 HD21 LEU 80 HD21 LEU 80 20.246 -5.640 -4.662 655 HD22 LEU 80 HD22 LEU 80 20.746 -7.326 -4.784 656 HD23 LEU 80 HD23 LEU 80 19.034 -6.907 -4.844 657 H LYS 81 HN LYS 81 19.058 -2.344 -7.978 658 HA LYS 81 HA LYS 81 21.883 -1.774 -7.561 659 HB2 LYS 81 HB2 LYS 81 19.947 -0.633 -9.583 660 HB3 LYS 81 HB1 LYS 81 21.667 -0.290 -9.522 661 HG2 LYS 81 HG2 LYS 81 20.469 -3.013 -9.985 662 HG3 LYS 81 HG1 LYS 81 21.073 -1.939 -11.246 663 HD2 LYS 81 HD2 LYS 81 22.717 -3.048 -8.969 664 HD3 LYS 81 HD1 LYS 81 22.701 -3.685 -10.613 665 HE2 LYS 81 HE2 LYS 81 23.578 -0.922 -9.777 666 HE3 LYS 81 HE1 LYS 81 24.632 -2.248 -10.262 667 HZ1 LYS 81 HZ1 LYS 81 23.548 -2.205 -12.452 668 HZ2 LYS 81 HZ2 LYS 81 24.329 -0.754 -12.091 669 HZ3 LYS 81 HZ3 LYS 81 22.648 -0.856 -11.973 670 H HIS 82 HN HIS 82 18.750 -0.135 -7.387 671 HA HIS 82 HA HIS 82 20.044 2.181 -6.102 672 HB2 HIS 82 HB2 HIS 82 17.126 2.159 -6.735 673 HB3 HIS 82 HB1 HIS 82 18.272 3.488 -6.817 674 HD1 HIS 82 HD1 HIS 82 16.800 0.699 -8.825 675 HD2 HIS 82 HD2 HIS 82 19.617 3.741 -9.282 676 HE1 HIS 82 HE1 HIS 82 17.284 0.824 -11.287 677 HE2 HIS 82 HE2 HIS 82 19.069 2.582 -11.526 678 HA PRO 83 HA PRO 83 18.201 0.081 -2.514 679 HB2 PRO 83 HB2 PRO 83 20.128 1.662 -0.973 680 HB3 PRO 83 HB1 PRO 83 19.849 -0.081 -0.966 681 HG2 PRO 83 HG2 PRO 83 22.037 0.976 -2.099 682 HG3 PRO 83 HG1 PRO 83 21.231 -0.446 -2.786 683 HD2 PRO 83 HD2 PRO 83 21.078 2.420 -3.648 684 HD3 PRO 83 HD1 PRO 83 21.216 0.954 -4.641 685 H LEU 84 HN LEU 84 16.294 0.873 -2.225 686 HA LEU 84 HA LEU 84 14.579 2.041 -1.377 687 HB2 LEU 84 HB2 LEU 84 16.294 3.295 0.697 688 HB3 LEU 84 HB1 LEU 84 14.729 2.543 0.837 689 HG LEU 84 HG LEU 84 17.294 1.010 0.423 690 HD11 LEU 84 HD11 LEU 84 16.975 0.308 2.771 691 HD12 LEU 84 HD12 LEU 84 15.683 1.498 2.918 692 HD13 LEU 84 HD13 LEU 84 17.335 2.025 2.599 693 HD21 LEU 84 HD21 LEU 84 15.926 -0.932 0.999 694 HD22 LEU 84 HD22 LEU 84 15.338 -0.128 -0.457 695 HD23 LEU 84 HD23 LEU 84 14.499 0.099 1.076 696 H CYS 85 HN CYS 85 14.431 4.448 0.012 697 HA CYS 85 HA CYS 85 13.923 6.586 -0.258 698 HB2 CYS 85 HB2 CYS 85 15.630 8.136 -1.065 699 HB3 CYS 85 HB1 CYS 85 16.280 6.947 0.035 700 H GLY 86 HN GLY 86 13.977 4.759 -2.884 701 HA2 GLY 86 HA2 GLY 86 12.627 6.727 -4.631 702 HA3 GLY 86 HA1 GLY 86 13.178 5.128 -5.136 703 H LYS 87 HN LYS 87 11.434 5.969 -2.238 704 HA LYS 87 HA LYS 87 9.947 3.515 -2.702 705 HB2 LYS 87 HB2 LYS 87 11.550 4.226 -0.293 706 HB3 LYS 87 HB1 LYS 87 10.538 2.793 -0.463 707 HG2 LYS 87 HG2 LYS 87 13.085 3.475 -1.890 708 HG3 LYS 87 HG1 LYS 87 12.672 2.016 -0.991 709 HD2 LYS 87 HD2 LYS 87 11.201 1.278 -2.720 710 HD3 LYS 87 HD1 LYS 87 11.315 2.817 -3.559 711 HE2 LYS 87 HE2 LYS 87 13.719 2.363 -3.955 712 HE3 LYS 87 HE1 LYS 87 13.490 0.762 -3.248 713 HZ1 LYS 87 HZ1 LYS 87 13.341 0.784 -5.711 714 HZ2 LYS 87 HZ2 LYS 87 11.981 1.787 -5.593 715 HZ3 LYS 87 HZ3 LYS 87 11.926 0.216 -4.967 716 H ARG 88 HN ARG 88 9.370 3.967 0.280 717 HA ARG 88 HA ARG 88 6.882 3.247 -0.420 718 HB2 ARG 88 HB2 ARG 88 6.361 3.680 2.025 719 HB3 ARG 88 HB1 ARG 88 7.670 2.571 1.610 720 HG2 ARG 88 HG2 ARG 88 8.488 3.919 3.392 721 HG3 ARG 88 HG1 ARG 88 9.256 4.534 1.938 722 HD2 ARG 88 HD2 ARG 88 8.584 6.377 3.308 723 HD3 ARG 88 HD1 ARG 88 7.554 6.341 1.879 724 HE ARG 88 HE ARG 88 6.431 4.951 4.127 725 HH11 ARG 88 HH11 ARG 88 6.763 8.075 2.578 726 HH12 ARG 88 HH12 ARG 88 5.367 8.742 3.358 727 HH21 ARG 88 HH21 ARG 88 4.606 5.841 5.159 728 HH22 ARG 88 HH22 ARG 88 4.145 7.481 4.822 729 H TYR 89 HN TYR 89 4.870 4.003 -0.275 730 HA TYR 89 HA TYR 89 4.374 6.888 -0.164 731 HB2 TYR 89 HB2 TYR 89 3.380 5.024 -2.339 732 HB3 TYR 89 HB1 TYR 89 2.992 6.732 -2.187 733 HD1 TYR 89 HD1 TYR 89 5.119 4.358 -3.704 734 HD2 TYR 89 HD2 TYR 89 5.027 8.368 -2.291 735 HE1 TYR 89 HE1 TYR 89 7.024 4.905 -5.155 736 HE2 TYR 89 HE2 TYR 89 6.934 8.927 -3.738 737 HH TYR 89 HH TYR 89 8.039 6.814 -6.202 738 H GLU 90 HN GLU 90 2.050 7.346 0.091 739 HA GLU 90 HA GLU 90 0.684 5.299 1.622 740 HB2 GLU 90 HB2 GLU 90 0.477 7.390 2.647 741 HB3 GLU 90 HB1 GLU 90 0.221 8.217 1.118 742 HG2 GLU 90 HG2 GLU 90 -1.962 6.815 1.019 743 HG3 GLU 90 HG1 GLU 90 -1.703 6.630 2.757 744 H LEU 91 HN LEU 91 -0.566 3.907 0.718 745 HA LEU 91 HA LEU 91 -2.097 4.707 -1.656 746 HB2 LEU 91 HB2 LEU 91 -2.288 1.896 -0.984 747 HB3 LEU 91 HB1 LEU 91 -1.850 2.652 -2.489 748 HG LEU 91 HG LEU 91 0.136 2.280 -0.245 749 HD11 LEU 91 HD11 LEU 91 -0.698 0.112 -1.144 750 HD12 LEU 91 HD12 LEU 91 1.019 0.398 -1.414 751 HD13 LEU 91 HD13 LEU 91 -0.126 0.611 -2.735 752 HD21 LEU 91 HD21 LEU 91 0.676 4.072 -1.815 753 HD22 LEU 91 HD22 LEU 91 0.495 2.951 -3.165 754 HD23 LEU 91 HD23 LEU 91 1.789 2.715 -1.989 755 H SER 92 HN SER 92 -4.095 5.257 -1.206 756 HA SER 92 HA SER 92 -5.243 4.211 1.288 757 HB2 SER 92 HB2 SER 92 -6.223 6.521 1.560 758 HB3 SER 92 HB1 SER 92 -4.469 6.442 1.706 759 HG SER 92 HG SER 92 -4.266 7.634 0.014 760 H ALA 93 HN ALA 93 -7.143 3.428 1.214 761 HA ALA 93 HA ALA 93 -8.678 3.519 -1.230 762 HB1 ALA 93 HB1 ALA 93 -8.909 1.457 -0.466 763 HB2 ALA 93 HB2 ALA 93 -10.224 2.179 0.469 764 HB3 ALA 93 HB3 ALA 93 -8.637 1.929 1.219 765 H ARG 94 HN ARG 94 -9.459 5.403 -1.480 766 HA ARG 94 HA ARG 94 -10.843 6.729 0.795 767 HB2 ARG 94 HB2 ARG 94 -9.006 7.859 -1.300 768 HB3 ARG 94 HB1 ARG 94 -10.132 8.872 -0.412 769 HG2 ARG 94 HG2 ARG 94 -9.059 8.159 1.698 770 HG3 ARG 94 HG1 ARG 94 -7.869 7.268 0.751 771 HD2 ARG 94 HD2 ARG 94 -6.938 9.201 -0.134 772 HD3 ARG 94 HD1 ARG 94 -8.371 10.164 0.205 773 HE ARG 94 HE ARG 94 -7.717 10.022 2.590 774 HH11 ARG 94 HH11 ARG 94 -5.304 9.484 0.128 775 HH12 ARG 94 HH12 ARG 94 -3.985 10.065 1.099 776 HH21 ARG 94 HH21 ARG 94 -5.997 10.839 3.863 777 HH22 ARG 94 HH22 ARG 94 -4.389 10.853 3.209 778 H MET 95 HN MET 95 -12.180 8.194 0.484 779 HA MET 95 HA MET 95 -14.450 8.128 -0.555 780 HB2 MET 95 HB2 MET 95 -12.831 10.624 -1.073 781 HB3 MET 95 HB1 MET 95 -14.554 10.527 -0.731 782 HG2 MET 95 HG2 MET 95 -14.064 9.713 1.518 783 HG3 MET 95 HG1 MET 95 -12.328 9.814 1.199 784 HE1 MET 95 HE1 MET 95 -11.665 13.609 0.975 785 HE2 MET 95 HE2 MET 95 -11.885 12.455 -0.339 786 HE3 MET 95 HE3 MET 95 -10.963 11.997 1.093 787 H ASP 96 HN ASP 96 -11.864 9.401 -2.676 788 HA ASP 96 HA ASP 96 -13.363 8.319 -4.952 789 HB2 ASP 96 HB2 ASP 96 -13.576 10.807 -4.854 790 HB3 ASP 96 HB1 ASP 96 -11.826 10.922 -5.023 791 H ALA 97 HN ALA 97 -11.725 6.644 -4.060 792 HA ALA 97 HA ALA 97 -10.661 5.121 -5.493 793 HB1 ALA 97 HB1 ALA 97 -9.460 7.570 -6.705 794 HB2 ALA 97 HB2 ALA 97 -10.313 6.235 -7.478 795 HB3 ALA 97 HB3 ALA 97 -8.643 6.005 -6.903 796 H ILE 98 HN ILE 98 -8.276 4.569 -5.767 797 HA ILE 98 HA ILE 98 -7.135 4.582 -3.098 798 HB ILE 98 HB ILE 98 -6.624 2.934 -5.589 799 HG12 ILE 98 HG12 ILE 98 -8.669 2.694 -3.910 800 HG13 ILE 98 HG11 ILE 98 -7.869 1.269 -4.560 801 HG21 ILE 98 HG21 ILE 98 -4.994 1.644 -4.322 802 HG22 ILE 98 HG22 ILE 98 -5.299 2.568 -2.852 803 HG23 ILE 98 HG23 ILE 98 -4.509 3.338 -4.235 804 HD11 ILE 98 HD11 ILE 98 -7.391 2.566 -1.905 805 HD12 ILE 98 HD12 ILE 98 -6.566 1.121 -2.516 806 HD13 ILE 98 HD13 ILE 98 -8.302 1.073 -2.204 807 H TYR 99 HN TYR 99 -5.399 5.702 -2.614 808 HA TYR 99 HA TYR 99 -4.123 7.314 -4.681 809 HB2 TYR 99 HB2 TYR 99 -3.943 7.291 -1.672 810 HB3 TYR 99 HB1 TYR 99 -2.898 8.299 -2.661 811 HD1 TYR 99 HD1 TYR 99 -6.560 7.503 -2.775 812 HD2 TYR 99 HD2 TYR 99 -3.571 10.515 -2.511 813 HE1 TYR 99 HE1 TYR 99 -8.307 9.229 -2.805 814 HE2 TYR 99 HE2 TYR 99 -5.310 12.252 -2.538 815 HH TYR 99 HH TYR 99 -7.724 12.422 -3.425 816 H PHE 100 HN PHE 100 -1.717 7.492 -4.694 817 HA PHE 100 HA PHE 100 -0.285 5.152 -3.696 818 HB2 PHE 100 HB2 PHE 100 -1.213 4.770 -6.099 819 HB3 PHE 100 HB1 PHE 100 0.000 5.939 -6.599 820 HD1 PHE 100 HD1 PHE 100 2.426 5.397 -6.285 821 HD2 PHE 100 HD2 PHE 100 -0.653 2.543 -5.609 822 HE1 PHE 100 HE1 PHE 100 4.081 3.587 -6.436 823 HE2 PHE 100 HE2 PHE 100 0.998 0.724 -5.753 824 HZ PHE 100 HZ PHE 100 3.368 1.245 -6.167 825 H LYS 101 HN LYS 101 0.115 7.469 -2.504 826 HA LYS 101 HA LYS 101 2.413 8.730 -3.793 827 HB2 LYS 101 HB2 LYS 101 1.318 10.565 -4.553 828 HB3 LYS 101 HB1 LYS 101 -0.158 9.683 -4.180 829 HG2 LYS 101 HG2 LYS 101 1.032 11.087 -1.883 830 HG3 LYS 101 HG1 LYS 101 0.379 12.104 -3.169 831 HD2 LYS 101 HD2 LYS 101 -1.758 10.975 -3.023 832 HD3 LYS 101 HD1 LYS 101 -1.119 9.860 -1.817 833 HE2 LYS 101 HE2 LYS 101 -1.027 12.801 -1.310 834 HE3 LYS 101 HE1 LYS 101 -2.541 11.930 -1.092 835 HZ1 LYS 101 HZ1 LYS 101 0.015 11.221 0.249 836 HZ2 LYS 101 HZ2 LYS 101 -1.495 10.499 0.513 837 HZ3 LYS 101 HZ3 LYS 101 -1.236 12.109 0.961 838 H MET 102 HN MET 102 3.821 9.671 -2.410 839 HA MET 102 HA MET 102 3.020 10.077 0.390 840 HB2 MET 102 HB2 MET 102 5.104 8.854 0.166 841 HB3 MET 102 HB1 MET 102 5.740 10.058 -0.946 842 HG2 MET 102 HG2 MET 102 5.687 11.720 0.872 843 HG3 MET 102 HG1 MET 102 5.136 10.459 1.974 844 HE1 MET 102 HE1 MET 102 8.863 11.212 3.020 845 HE2 MET 102 HE2 MET 102 7.185 11.188 3.559 846 HE3 MET 102 HE3 MET 102 7.707 12.365 2.355 847 H ASP 103 HN ASP 103 2.120 12.064 0.648 848 HA ASP 103 HA ASP 103 2.115 13.846 -1.522 849 HB2 ASP 103 HB2 ASP 103 0.678 15.241 -0.290 850 HB3 ASP 103 HB1 ASP 103 0.255 13.585 0.136 851 H GLU 104 HN GLU 104 2.481 16.045 -1.501 852 HA GLU 104 HA GLU 104 4.154 17.732 -0.432 853 HB2 GLU 104 HB2 GLU 104 5.773 15.895 -0.028 854 HB3 GLU 104 HB1 GLU 104 5.859 15.648 -1.758 855 HG2 GLU 104 HG2 GLU 104 6.629 18.045 -1.941 856 HG3 GLU 104 HG1 GLU 104 6.793 18.029 -0.188 857 H ARG 105 HN ARG 105 3.838 15.639 -3.121 858 HA ARG 105 HA ARG 105 3.044 17.329 -5.097 859 HB2 ARG 105 HB2 ARG 105 4.947 17.996 -6.272 860 HB3 ARG 105 HB1 ARG 105 5.342 18.246 -4.577 861 HG2 ARG 105 HG2 ARG 105 6.741 16.359 -4.508 862 HG3 ARG 105 HG1 ARG 105 6.186 15.804 -6.089 863 HD2 ARG 105 HD2 ARG 105 7.169 17.821 -7.107 864 HD3 ARG 105 HD1 ARG 105 7.764 18.313 -5.524 865 HE ARG 105 HE ARG 105 8.786 15.806 -5.893 866 HH11 ARG 105 HH11 ARG 105 8.885 18.804 -7.693 867 HH12 ARG 105 HH12 ARG 105 10.455 18.501 -8.363 868 HH21 ARG 105 HH21 ARG 105 10.861 15.399 -6.784 869 HH22 ARG 105 HH22 ARG 105 11.574 16.567 -7.848 870 HA PRO 106 HA PRO 106 4.569 12.759 -6.587 871 HB2 PRO 106 HB2 PRO 106 3.787 11.716 -3.878 872 HB3 PRO 106 HB1 PRO 106 4.908 11.027 -5.063 873 HG2 PRO 106 HG2 PRO 106 5.912 12.300 -3.030 874 HG3 PRO 106 HG1 PRO 106 6.525 12.686 -4.653 875 HD2 PRO 106 HD2 PRO 106 4.555 14.188 -2.971 876 HD3 PRO 106 HD1 PRO 106 5.930 14.808 -3.904 877 HA PRO 107 HA PRO 107 0.789 11.310 -8.000 878 HB2 PRO 107 HB2 PRO 107 0.578 9.103 -6.020 879 HB3 PRO 107 HB1 PRO 107 0.239 9.086 -7.760 880 HG2 PRO 107 HG2 PRO 107 2.557 8.183 -6.900 881 HG3 PRO 107 HG1 PRO 107 2.493 9.220 -8.339 882 HD2 PRO 107 HD2 PRO 107 3.390 9.867 -5.576 883 HD3 PRO 107 HD1 PRO 107 3.981 10.485 -7.129 884 H GLN 108 HN GLN 108 -1.422 10.304 -7.558 885 HA GLN 108 HA GLN 108 -2.867 11.542 -5.376 886 HB2 GLN 108 HB2 GLN 108 -4.324 12.824 -6.846 887 HB3 GLN 108 HB1 GLN 108 -2.664 13.303 -7.139 888 HG2 GLN 108 HG2 GLN 108 -2.597 11.903 -9.131 889 HG3 GLN 108 HG1 GLN 108 -4.265 11.410 -8.839 890 HE21 GLN 108 HE21 GLN 108 -5.926 12.905 -9.156 891 HE22 GLN 108 HE22 GLN 108 -5.690 14.348 -10.079 892 HA PRO 109 HA PRO 109 -5.827 8.130 -5.977 893 HB2 PRO 109 HB2 PRO 109 -7.530 9.633 -7.906 894 HB3 PRO 109 HB1 PRO 109 -8.001 8.651 -6.521 895 HG2 PRO 109 HG2 PRO 109 -8.040 11.300 -6.372 896 HG3 PRO 109 HG1 PRO 109 -7.511 10.318 -4.995 897 HD2 PRO 109 HD2 PRO 109 -5.911 11.954 -6.884 898 HD3 PRO 109 HD1 PRO 109 -5.611 11.591 -5.173 899 H LEU 110 HN LEU 110 -4.719 6.607 -7.100 900 HA LEU 110 HA LEU 110 -4.491 6.944 -10.015 901 HB2 LEU 110 HB2 LEU 110 -2.374 7.391 -8.830 902 HB3 LEU 110 HB1 LEU 110 -2.439 5.788 -8.129 903 HG LEU 110 HG LEU 110 -2.223 4.801 -10.376 904 HD11 LEU 110 HD11 LEU 110 -3.246 6.585 -11.678 905 HD12 LEU 110 HD12 LEU 110 -1.626 6.226 -12.271 906 HD13 LEU 110 HD13 LEU 110 -1.904 7.659 -11.283 907 HD21 LEU 110 HD21 LEU 110 -0.089 6.815 -9.681 908 HD22 LEU 110 HD22 LEU 110 0.117 5.418 -10.738 909 HD23 LEU 110 HD23 LEU 110 -0.234 5.184 -9.026 910 H ASN 111 HN ASN 111 -5.863 5.135 -7.658 911 HA ASN 111 HA ASN 111 -6.078 2.800 -9.382 912 HB2 ASN 111 HB2 ASN 111 -4.924 2.754 -6.588 913 HB3 ASN 111 HB1 ASN 111 -5.794 1.354 -7.206 914 HD21 ASN 111 HD21 ASN 111 -4.829 1.680 -9.933 915 HD22 ASN 111 HD22 ASN 111 -3.163 1.227 -9.921 916 H LYS 112 HN LYS 112 -7.990 1.484 -8.479 917 HA LYS 112 HA LYS 112 -9.529 3.072 -6.626 918 HB2 LYS 112 HB2 LYS 112 -11.535 2.783 -8.052 919 HB3 LYS 112 HB1 LYS 112 -10.302 3.814 -8.721 920 HG2 LYS 112 HG2 LYS 112 -9.602 2.074 -10.240 921 HG3 LYS 112 HG1 LYS 112 -10.746 0.950 -9.504 922 HD2 LYS 112 HD2 LYS 112 -12.596 2.436 -10.199 923 HD3 LYS 112 HD1 LYS 112 -11.423 3.479 -11.005 924 HE2 LYS 112 HE2 LYS 112 -11.832 0.564 -11.653 925 HE3 LYS 112 HE1 LYS 112 -12.610 1.885 -12.517 926 HZ1 LYS 112 HZ1 LYS 112 -10.636 1.117 -13.665 927 HZ2 LYS 112 HZ2 LYS 112 -9.679 1.444 -12.313 928 HZ3 LYS 112 HZ3 LYS 112 -10.426 2.711 -13.144 929 H TRP 113 HN TRP 113 -10.756 1.963 -5.287 930 HA TRP 113 HA TRP 113 -10.275 -0.824 -5.051 931 HB2 TRP 113 HB2 TRP 113 -12.207 -0.505 -3.279 932 HB3 TRP 113 HB1 TRP 113 -10.553 0.019 -2.958 933 HD1 TRP 113 HD1 TRP 113 -10.103 2.618 -2.767 934 HE1 TRP 113 HE1 TRP 113 -11.630 4.682 -2.595 935 HE3 TRP 113 HE3 TRP 113 -14.568 0.443 -3.997 936 HZ2 TRP 113 HZ2 TRP 113 -14.348 5.301 -2.921 937 HZ3 TRP 113 HZ3 TRP 113 -16.584 1.847 -4.032 938 HH2 TRP 113 HH2 TRP 113 -16.477 4.225 -3.504 939 H ARG 114 HN ARG 114 -11.129 -2.152 -6.401 940 HA ARG 114 HA ARG 114 -12.620 -3.355 -7.578 941 HB2 ARG 114 HB2 ARG 114 -14.636 -3.986 -6.254 942 HB3 ARG 114 HB1 ARG 114 -13.095 -4.131 -5.414 943 HG2 ARG 114 HG2 ARG 114 -14.500 -3.269 -3.798 944 HG3 ARG 114 HG1 ARG 114 -13.699 -1.825 -4.412 945 HD2 ARG 114 HD2 ARG 114 -15.632 -1.305 -5.784 946 HD3 ARG 114 HD1 ARG 114 -16.427 -2.792 -5.266 947 HE ARG 114 HE ARG 114 -15.747 -1.242 -3.010 948 HH11 ARG 114 HH11 ARG 114 -17.997 -1.251 -5.705 949 HH12 ARG 114 HH12 ARG 114 -19.218 -0.373 -4.834 950 HH21 ARG 114 HH21 ARG 114 -17.357 -0.097 -1.878 951 HH22 ARG 114 HH22 ARG 114 -18.854 0.284 -2.669 952 H SER 115 HN SER 115 -15.407 -3.327 -7.768 953 HA SER 115 HA SER 115 -15.767 -0.966 -9.444 954 HB2 SER 115 HB2 SER 115 -16.075 -3.280 -10.396 955 HB3 SER 115 HB1 SER 115 -17.489 -3.416 -9.363 956 HG SER 115 HG SER 115 -17.910 -1.199 -10.542
Contact the webmaster for help, if required. Tuesday, May 7, 2024 9:17:08 PM GMT (wattos1)