NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16253 | 1zv6 | 6718 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HT1 PRO 9 HT1 PRO 9 101.110 12.882 -8.238 2 HT2 PRO 9 HT2 PRO 9 102.083 13.216 -6.953 3 HA PRO 9 HA PRO 9 102.672 12.534 -9.572 4 1HB PRO 9 1HB PRO 9 104.859 14.175 -8.825 5 2HB PRO 9 2HB PRO 9 103.777 14.383 -10.208 6 1HG PRO 9 1HG PRO 9 103.676 15.642 -7.521 7 2HG PRO 9 2HG PRO 9 103.160 16.288 -9.089 8 1HD PRO 9 1HD PRO 9 101.361 15.489 -7.288 9 2HD PRO 9 2HD PRO 9 101.113 15.171 -9.016 10 H GLY 10 H GLY 10 104.375 11.065 -9.537 11 1HA GLY 10 1HA GLY 10 106.220 9.942 -8.550 12 2HA GLY 10 2HA GLY 10 105.762 10.606 -6.991 13 H LEU 11 H LEU 11 105.796 8.683 -5.923 14 HA LEU 11 HA LEU 11 103.736 6.736 -6.713 15 1HB LEU 11 1HB LEU 11 105.363 5.328 -5.058 16 2HB LEU 11 2HB LEU 11 105.427 5.284 -6.811 17 HG LEU 11 HG LEU 11 107.107 7.304 -6.445 18 1HD1 LEU 11 1HD1 LEU 11 107.309 5.745 -3.872 19 2HD1 LEU 11 2HD1 LEU 11 106.839 7.437 -4.040 20 3HD1 LEU 11 3HD1 LEU 11 108.481 6.934 -4.442 21 1HD2 LEU 11 1HD2 LEU 11 107.406 4.917 -7.397 22 2HD2 LEU 11 2HD2 LEU 11 108.140 4.567 -5.832 23 3HD2 LEU 11 3HD2 LEU 11 108.827 5.819 -6.868 24 H GLN 12 H GLN 12 102.845 5.465 -4.876 25 HA GLN 12 HA GLN 12 102.006 7.263 -2.787 26 1HB GLN 12 1HB GLN 12 100.843 5.020 -1.991 27 2HB GLN 12 2HB GLN 12 100.205 5.966 -3.324 28 1HG GLN 12 1HG GLN 12 102.165 3.858 -4.006 29 2HG GLN 12 2HG GLN 12 100.585 3.329 -3.437 30 1HE2 GLN 12 1HE2 GLN 12 102.166 3.596 -6.135 31 2HE2 GLN 12 2HE2 GLN 12 100.940 4.149 -7.219 32 H ILE 13 H ILE 13 102.647 7.333 -0.717 33 HA ILE 13 HA ILE 13 104.859 5.580 0.049 34 HB ILE 13 HB ILE 13 103.966 8.044 1.525 35 1HG1 ILE 13 1HG1 ILE 13 104.598 8.376 -0.973 36 2HG1 ILE 13 2HG1 ILE 13 105.379 9.392 0.237 37 1HG2 ILE 13 1HG2 ILE 13 106.536 6.474 1.456 38 2HG2 ILE 13 2HG2 ILE 13 105.391 6.583 2.795 39 3HG2 ILE 13 3HG2 ILE 13 106.318 8.004 2.311 40 1HD1 ILE 13 1HD1 ILE 13 106.955 8.599 -1.443 41 2HD1 ILE 13 2HD1 ILE 13 106.576 6.931 -1.013 42 3HD1 ILE 13 3HD1 ILE 13 107.358 7.989 0.163 43 H TYR 14 H TYR 14 104.800 4.248 1.795 44 HA TYR 14 HA TYR 14 102.451 4.282 3.552 45 1HB TYR 14 1HB TYR 14 103.501 1.841 2.098 46 2HB TYR 14 2HB TYR 14 102.239 1.827 3.327 47 HD1 TYR 14 HD1 TYR 14 102.996 2.296 -0.155 48 HD2 TYR 14 HD2 TYR 14 100.066 3.021 2.844 49 HE1 TYR 14 HE1 TYR 14 101.308 2.651 -1.898 50 HE2 TYR 14 HE2 TYR 14 98.368 3.382 1.105 51 HH TYR 14 HH TYR 14 98.567 2.407 -1.893 52 HA PRO 15 HA PRO 15 105.068 3.234 6.980 53 1HB PRO 15 1HB PRO 15 103.786 0.561 7.267 54 2HB PRO 15 2HB PRO 15 103.966 1.860 8.458 55 1HG PRO 15 1HG PRO 15 101.607 1.380 7.321 56 2HG PRO 15 2HG PRO 15 102.144 3.041 7.636 57 1HD PRO 15 1HD PRO 15 102.091 1.518 5.062 58 2HD PRO 15 2HD PRO 15 101.717 3.230 5.370 59 H TYR 16 H TYR 16 106.753 1.652 7.770 60 HA TYR 16 HA TYR 16 108.190 0.629 5.530 61 1HB TYR 16 1HB TYR 16 109.571 1.562 7.135 62 2HB TYR 16 2HB TYR 16 108.673 0.847 8.474 63 HD1 TYR 16 HD1 TYR 16 110.657 -0.252 5.517 64 HD2 TYR 16 HD2 TYR 16 109.649 -0.855 9.586 65 HE1 TYR 16 HE1 TYR 16 112.283 -2.085 5.608 66 HE2 TYR 16 HE2 TYR 16 111.282 -2.702 9.729 67 HH TYR 16 HH TYR 16 113.665 -3.182 7.945 68 H GLU 17 H GLU 17 106.978 -0.924 8.512 69 HA GLU 17 HA GLU 17 107.533 -3.565 7.856 70 1HB GLU 17 1HB GLU 17 105.348 -2.355 9.544 71 2HB GLU 17 2HB GLU 17 105.545 -4.095 9.383 72 1HG GLU 17 1HG GLU 17 108.073 -3.322 10.022 73 2HG GLU 17 2HG GLU 17 107.101 -2.152 10.921 74 H MET 18 H MET 18 104.869 -1.541 6.775 75 HA MET 18 HA MET 18 103.315 -3.685 5.680 76 1HB MET 18 1HB MET 18 103.229 -0.691 5.310 77 2HB MET 18 2HB MET 18 102.120 -1.783 4.492 78 1HG MET 18 1HG MET 18 101.712 -2.645 6.955 79 2HG MET 18 2HG MET 18 102.272 -1.017 7.354 80 1HE MET 18 1HE MET 18 99.106 -2.340 7.847 81 2HE MET 18 2HE MET 18 99.550 -3.266 6.413 82 3HE MET 18 3HE MET 18 98.144 -2.201 6.375 83 H LEU 19 H LEU 19 105.892 -1.624 4.515 84 HA LEU 19 HA LEU 19 105.544 -2.563 1.772 85 1HB LEU 19 1HB LEU 19 107.491 -0.560 2.903 86 2HB LEU 19 2HB LEU 19 107.264 -0.918 1.198 87 HG LEU 19 HG LEU 19 105.141 0.259 2.994 88 1HD1 LEU 19 1HD1 LEU 19 107.067 1.552 1.080 89 2HD1 LEU 19 2HD1 LEU 19 106.848 1.892 2.797 90 3HD1 LEU 19 3HD1 LEU 19 105.589 2.331 1.643 91 1HD2 LEU 19 1HD2 LEU 19 104.895 -1.052 0.579 92 2HD2 LEU 19 2HD2 LEU 19 104.894 0.655 0.141 93 3HD2 LEU 19 3HD2 LEU 19 103.721 0.041 1.303 94 H VAL 20 H VAL 20 106.875 -3.983 4.328 95 HA VAL 20 HA VAL 20 109.542 -4.524 3.533 96 HB VAL 20 HB VAL 20 107.818 -6.356 5.206 97 1HG1 VAL 20 1HG1 VAL 20 110.167 -6.532 6.344 98 2HG1 VAL 20 2HG1 VAL 20 110.737 -6.005 4.762 99 3HG1 VAL 20 3HG1 VAL 20 109.793 -7.489 4.909 100 1HG2 VAL 20 1HG2 VAL 20 108.369 -5.117 7.130 101 2HG2 VAL 20 2HG2 VAL 20 107.761 -3.958 5.949 102 3HG2 VAL 20 3HG2 VAL 20 109.493 -4.092 6.239 103 H VAL 21 H VAL 21 110.387 -6.591 2.698 104 HA VAL 21 HA VAL 21 108.688 -7.510 0.524 105 HB VAL 21 HB VAL 21 111.606 -8.055 1.064 106 1HG1 VAL 21 1HG1 VAL 21 109.758 -8.873 -1.129 107 2HG1 VAL 21 2HG1 VAL 21 111.043 -9.786 -0.338 108 3HG1 VAL 21 3HG1 VAL 21 111.446 -8.530 -1.508 109 1HG2 VAL 21 1HG2 VAL 21 110.323 -6.138 -0.877 110 2HG2 VAL 21 2HG2 VAL 21 112.050 -6.389 -0.634 111 3HG2 VAL 21 3HG2 VAL 21 111.072 -5.681 0.653 112 H THR 22 H THR 22 110.998 -9.334 2.589 113 HA THR 22 HA THR 22 109.166 -11.622 2.385 114 HB THR 22 HB THR 22 112.113 -11.568 3.042 115 HG1 THR 22 HG1 THR 22 112.125 -11.275 0.943 116 1HG2 THR 22 1HG2 THR 22 111.216 -13.524 4.037 117 2HG2 THR 22 2HG2 THR 22 111.991 -14.006 2.528 118 3HG2 THR 22 3HG2 THR 22 110.235 -13.872 2.614 119 H ASN 23 H ASN 23 111.216 -9.948 4.727 120 HA ASN 23 HA ASN 23 110.800 -11.437 6.978 121 1HB ASN 23 1HB ASN 23 111.011 -8.425 6.832 122 2HB ASN 23 2HB ASN 23 111.284 -9.405 8.276 123 1HD2 ASN 23 1HD2 ASN 23 112.508 -8.508 5.134 124 2HD2 ASN 23 2HD2 ASN 23 114.108 -9.122 5.365 125 H LYS 24 H LYS 24 108.594 -8.970 5.676 126 HA LYS 24 HA LYS 24 106.669 -9.737 7.773 127 1HB LYS 24 1HB LYS 24 107.426 -7.139 6.637 128 2HB LYS 24 2HB LYS 24 105.687 -7.385 6.764 129 1HG LYS 24 1HG LYS 24 106.654 -6.262 8.729 130 2HG LYS 24 2HG LYS 24 105.871 -7.790 9.129 131 1HD LYS 24 1HD LYS 24 107.968 -7.585 10.334 132 2HD LYS 24 2HD LYS 24 108.074 -8.891 9.154 133 1HE LYS 24 1HE LYS 24 110.098 -7.767 8.901 134 2HE LYS 24 2HE LYS 24 109.105 -7.121 7.598 135 1HZ LYS 24 1HZ LYS 24 110.167 -5.297 8.619 136 2HZ LYS 24 2HZ LYS 24 109.773 -5.823 10.177 137 3HZ LYS 24 3HZ LYS 24 108.561 -5.244 9.150 138 H GLY 25 H GLY 25 107.100 -11.086 5.151 139 1HA GLY 25 1HA GLY 25 104.822 -12.090 4.402 140 2HA GLY 25 2HA GLY 25 104.575 -10.469 3.774 141 H ARG 26 H ARG 26 104.613 -10.741 1.622 142 HA ARG 26 HA ARG 26 107.122 -11.596 0.426 143 1HB ARG 26 1HB ARG 26 105.645 -12.889 -1.333 144 2HB ARG 26 2HB ARG 26 106.194 -13.674 0.135 145 1HG ARG 26 1HG ARG 26 103.463 -12.452 -0.220 146 2HG ARG 26 2HG ARG 26 103.838 -14.153 -0.451 147 1HD ARG 26 1HD ARG 26 104.871 -13.618 2.044 148 2HD ARG 26 2HD ARG 26 103.403 -12.638 2.000 149 HE ARG 26 HE ARG 26 103.070 -15.377 1.134 150 1HH1 ARG 26 1HH1 ARG 26 102.962 -13.161 3.845 151 2HH1 ARG 26 2HH1 ARG 26 101.917 -14.171 4.785 152 1HH2 ARG 26 1HH2 ARG 26 101.694 -16.702 2.379 153 2HH2 ARG 26 2HH2 ARG 26 101.197 -16.181 3.955 154 H THR 27 H THR 27 103.843 -10.944 -0.859 155 HA THR 27 HA THR 27 104.858 -8.517 -2.097 156 HB THR 27 HB THR 27 103.589 -10.892 -3.337 157 HG1 THR 27 HG1 THR 27 105.535 -9.050 -4.267 158 1HG2 THR 27 1HG2 THR 27 101.988 -9.353 -3.995 159 2HG2 THR 27 2HG2 THR 27 103.088 -9.504 -5.370 160 3HG2 THR 27 3HG2 THR 27 103.185 -8.092 -4.304 161 H LYS 28 H LYS 28 103.207 -9.232 0.247 162 HA LYS 28 HA LYS 28 100.503 -8.527 -0.258 163 1HB LYS 28 1HB LYS 28 102.171 -8.748 2.218 164 2HB LYS 28 2HB LYS 28 100.457 -8.353 2.277 165 1HG LYS 28 1HG LYS 28 101.287 -10.826 2.578 166 2HG LYS 28 2HG LYS 28 99.801 -10.465 1.702 167 1HD LYS 28 1HD LYS 28 101.148 -10.512 -0.419 168 2HD LYS 28 2HD LYS 28 102.513 -11.095 0.533 169 1HE LYS 28 1HE LYS 28 101.450 -13.119 1.028 170 2HE LYS 28 2HE LYS 28 99.857 -12.488 0.616 171 1HZ LYS 28 1HZ LYS 28 100.184 -12.835 -1.585 172 2HZ LYS 28 2HZ LYS 28 101.205 -14.052 -1.005 173 3HZ LYS 28 3HZ LYS 28 101.855 -12.576 -1.515 174 H LEU 29 H LEU 29 102.584 -6.564 -1.096 175 HA LEU 29 HA LEU 29 102.763 -4.305 0.439 176 1HB LEU 29 1HB LEU 29 102.846 -4.943 -2.456 177 2HB LEU 29 2HB LEU 29 102.740 -3.260 -2.002 178 HG LEU 29 HG LEU 29 104.997 -3.621 -2.290 179 1HD1 LEU 29 1HD1 LEU 29 104.584 -4.151 0.639 180 2HD1 LEU 29 2HD1 LEU 29 104.465 -2.563 -0.117 181 3HD1 LEU 29 3HD1 LEU 29 106.000 -3.428 -0.114 182 1HD2 LEU 29 1HD2 LEU 29 106.148 -5.533 -1.870 183 2HD2 LEU 29 2HD2 LEU 29 104.540 -6.164 -2.226 184 3HD2 LEU 29 3HD2 LEU 29 105.077 -6.008 -0.553 185 HA PRO 30 HA PRO 30 98.819 -2.280 0.460 186 1HB PRO 30 1HB PRO 30 100.376 0.204 -0.008 187 2HB PRO 30 2HB PRO 30 99.285 -0.204 1.325 188 1HG PRO 30 1HG PRO 30 101.941 -0.122 1.666 189 2HG PRO 30 2HG PRO 30 100.931 -1.316 2.507 190 1HD PRO 30 1HD PRO 30 102.715 -1.676 0.134 191 2HD PRO 30 2HD PRO 30 102.395 -2.780 1.485 192 HA PRO 31 HA PRO 31 97.633 -1.209 -3.677 193 1HB PRO 31 1HB PRO 31 96.918 1.591 -3.082 194 2HB PRO 31 2HB PRO 31 95.892 0.256 -3.627 195 1HG PRO 31 1HG PRO 31 95.752 1.208 -1.121 196 2HG PRO 31 2HG PRO 31 95.528 -0.514 -1.480 197 1HD PRO 31 1HD PRO 31 97.929 0.898 -0.380 198 2HD PRO 31 2HD PRO 31 97.237 -0.673 0.078 199 H GLY 32 H GLY 32 99.405 -1.168 -5.009 200 1HA GLY 32 1HA GLY 32 100.605 0.020 -6.654 201 2HA GLY 32 2HA GLY 32 100.444 1.476 -5.694 202 H VAL 33 H VAL 33 101.817 -1.718 -4.786 203 HA VAL 33 HA VAL 33 104.452 -0.454 -4.585 204 HB VAL 33 HB VAL 33 104.079 -2.302 -2.421 205 1HG1 VAL 33 1HG1 VAL 33 105.804 -0.418 -3.010 206 2HG1 VAL 33 2HG1 VAL 33 105.452 -0.867 -1.344 207 3HG1 VAL 33 3HG1 VAL 33 104.696 0.561 -2.051 208 1HG2 VAL 33 1HG2 VAL 33 102.006 -0.276 -2.779 209 2HG2 VAL 33 2HG2 VAL 33 102.815 -0.221 -1.217 210 3HG2 VAL 33 3HG2 VAL 33 102.036 -1.707 -1.753 211 H ASP 34 H ASP 34 106.128 -1.629 -5.137 212 HA ASP 34 HA ASP 34 105.902 -4.528 -5.368 213 1HB ASP 34 1HB ASP 34 105.231 -3.475 -7.576 214 2HB ASP 34 2HB ASP 34 106.881 -2.857 -7.692 215 H ARG 35 H ARG 35 107.895 -5.605 -5.329 216 HA ARG 35 HA ARG 35 109.895 -4.573 -3.740 217 1HB ARG 35 1HB ARG 35 109.630 -6.914 -5.516 218 2HB ARG 35 2HB ARG 35 111.279 -6.440 -5.142 219 1HG ARG 35 1HG ARG 35 110.810 -7.960 -3.479 220 2HG ARG 35 2HG ARG 35 110.466 -6.418 -2.688 221 1HD ARG 35 1HD ARG 35 108.524 -7.397 -2.131 222 2HD ARG 35 2HD ARG 35 108.046 -6.995 -3.778 223 HE ARG 35 HE ARG 35 108.771 -9.625 -2.749 224 1HH1 ARG 35 1HH1 ARG 35 107.881 -7.676 -5.525 225 2HH1 ARG 35 2HH1 ARG 35 107.505 -9.045 -6.513 226 1HH2 ARG 35 1HH2 ARG 35 108.269 -11.415 -4.058 227 2HH2 ARG 35 2HH2 ARG 35 107.722 -11.164 -5.682 228 H MET 36 H MET 36 109.510 -4.203 -7.193 229 HA MET 36 HA MET 36 112.033 -3.648 -8.091 230 1HB MET 36 1HB MET 36 109.343 -2.563 -8.813 231 2HB MET 36 2HB MET 36 110.775 -1.855 -9.549 232 1HG MET 36 1HG MET 36 111.380 -3.893 -10.571 233 2HG MET 36 2HG MET 36 110.213 -4.804 -9.607 234 1HE MET 36 1HE MET 36 111.044 -3.332 -12.833 235 2HE MET 36 2HE MET 36 109.581 -3.687 -13.752 236 3HE MET 36 3HE MET 36 110.434 -4.985 -12.917 237 H ARG 37 H ARG 37 109.883 -1.411 -6.335 238 HA ARG 37 HA ARG 37 112.232 0.212 -5.699 239 1HB ARG 37 1HB ARG 37 110.890 2.302 -6.130 240 2HB ARG 37 2HB ARG 37 111.383 1.412 -7.559 241 1HG ARG 37 1HG ARG 37 108.705 0.840 -6.407 242 2HG ARG 37 2HG ARG 37 108.939 2.353 -7.283 243 1HD ARG 37 1HD ARG 37 110.107 0.620 -8.990 244 2HD ARG 37 2HD ARG 37 108.885 -0.426 -8.269 245 HE ARG 37 HE ARG 37 107.548 1.869 -8.942 246 1HH1 ARG 37 1HH1 ARG 37 109.464 -0.490 -10.680 247 2HH1 ARG 37 2HH1 ARG 37 108.610 -0.268 -12.169 248 1HH2 ARG 37 1HH2 ARG 37 106.427 2.158 -10.906 249 2HH2 ARG 37 2HH2 ARG 37 106.886 1.236 -12.298 250 H LEU 38 H LEU 38 110.964 -1.565 -3.968 251 HA LEU 38 HA LEU 38 108.980 -0.363 -2.372 252 1HB LEU 38 1HB LEU 38 110.831 -2.664 -2.086 253 2HB LEU 38 2HB LEU 38 110.135 -2.014 -0.605 254 HG LEU 38 HG LEU 38 108.545 -2.980 -2.988 255 1HD1 LEU 38 1HD1 LEU 38 109.485 -4.896 -1.994 256 2HD1 LEU 38 2HD1 LEU 38 107.858 -4.770 -1.327 257 3HD1 LEU 38 3HD1 LEU 38 109.247 -4.268 -0.365 258 1HD2 LEU 38 1HD2 LEU 38 106.614 -2.587 -1.734 259 2HD2 LEU 38 2HD2 LEU 38 107.589 -1.132 -1.541 260 3HD2 LEU 38 3HD2 LEU 38 107.524 -2.326 -0.248 261 H GLU 39 H GLU 39 112.494 -0.208 -2.307 262 HA GLU 39 HA GLU 39 112.727 1.174 0.171 263 1HB GLU 39 1HB GLU 39 115.001 1.375 -0.304 264 2HB GLU 39 2HB GLU 39 114.541 -0.120 -1.104 265 1HG GLU 39 1HG GLU 39 114.968 2.564 -2.402 266 2HG GLU 39 2HG GLU 39 116.016 1.154 -2.516 267 H ARG 40 H ARG 40 111.226 2.194 -2.585 268 HA ARG 40 HA ARG 40 112.015 5.003 -2.172 269 1HB ARG 40 1HB ARG 40 112.120 3.558 -4.495 270 2HB ARG 40 2HB ARG 40 110.552 4.336 -4.626 271 1HG ARG 40 1HG ARG 40 112.746 6.103 -3.798 272 2HG ARG 40 2HG ARG 40 112.886 5.441 -5.427 273 1HD ARG 40 1HD ARG 40 110.471 6.190 -5.756 274 2HD ARG 40 2HD ARG 40 110.678 7.123 -4.275 275 HE ARG 40 HE ARG 40 112.798 7.809 -5.893 276 1HH1 ARG 40 1HH1 ARG 40 109.307 7.975 -6.108 277 2HH1 ARG 40 2HH1 ARG 40 109.314 9.371 -7.130 278 1HH2 ARG 40 1HH2 ARG 40 112.801 9.649 -7.239 279 2HH2 ARG 40 2HH2 ARG 40 111.297 10.322 -7.773 280 H HIS 41 H HIS 41 109.614 2.711 -1.741 281 HA HIS 41 HA HIS 41 107.358 4.507 -1.968 282 1HB HIS 41 1HB HIS 41 107.795 1.587 -1.525 283 2HB HIS 41 2HB HIS 41 106.287 2.296 -0.979 284 HD1 HIS 41 HD1 HIS 41 105.065 3.792 -3.018 285 HD2 HIS 41 HD2 HIS 41 107.679 0.742 -4.078 286 HE1 HIS 41 HE1 HIS 41 104.533 3.252 -5.415 287 HE2 HIS 41 HE2 HIS 41 106.187 1.466 -6.061 288 H LEU 42 H LEU 42 109.701 3.810 0.341 289 HA LEU 42 HA LEU 42 108.046 4.037 2.678 290 1HB LEU 42 1HB LEU 42 111.039 4.110 2.284 291 2HB LEU 42 2HB LEU 42 110.232 4.084 3.848 292 HG LEU 42 HG LEU 42 109.339 1.896 2.175 293 1HD1 LEU 42 1HD1 LEU 42 112.168 2.495 2.124 294 2HD1 LEU 42 2HD1 LEU 42 111.251 1.283 1.232 295 3HD1 LEU 42 3HD1 LEU 42 111.842 0.920 2.861 296 1HD2 LEU 42 1HD2 LEU 42 109.116 2.244 4.637 297 2HD2 LEU 42 2HD2 LEU 42 110.836 1.876 4.766 298 3HD2 LEU 42 3HD2 LEU 42 109.716 0.663 4.141 299 H SER 43 H SER 43 107.910 5.809 4.025 300 HA SER 43 HA SER 43 108.171 8.369 2.782 301 1HB SER 43 1HB SER 43 107.234 9.270 4.829 302 2HB SER 43 2HB SER 43 106.356 7.797 4.400 303 HG SER 43 HG SER 43 107.135 6.818 6.118 304 H ALA 44 H ALA 44 109.248 10.219 4.011 305 HA ALA 44 HA ALA 44 111.998 9.868 4.036 306 1HB ALA 44 1HB ALA 44 110.419 11.971 5.520 307 2HB ALA 44 2HB ALA 44 110.946 12.063 3.839 308 3HB ALA 44 3HB ALA 44 112.139 12.052 5.138 309 H GLU 45 H GLU 45 109.690 9.487 6.652 310 HA GLU 45 HA GLU 45 111.647 9.252 8.730 311 1HB GLU 45 1HB GLU 45 109.185 7.823 9.304 312 2HB GLU 45 2HB GLU 45 109.882 9.210 10.117 313 1HG GLU 45 1HG GLU 45 108.892 10.635 8.295 314 2HG GLU 45 2HG GLU 45 108.029 9.194 7.759 315 H ASP 46 H ASP 46 109.577 6.917 7.038 316 HA ASP 46 HA ASP 46 110.597 4.576 8.126 317 1HB ASP 46 1HB ASP 46 109.354 5.153 5.439 318 2HB ASP 46 2HB ASP 46 109.833 3.524 5.919 319 H PHE 47 H PHE 47 111.593 6.164 5.065 320 HA PHE 47 HA PHE 47 113.589 4.341 4.406 321 1HB PHE 47 1HB PHE 47 112.528 6.238 3.004 322 2HB PHE 47 2HB PHE 47 113.799 7.250 3.702 323 HD1 PHE 47 HD1 PHE 47 113.523 3.838 2.263 324 HD2 PHE 47 HD2 PHE 47 115.630 7.524 2.373 325 HE1 PHE 47 HE1 PHE 47 115.126 2.972 0.591 326 HE2 PHE 47 HE2 PHE 47 117.230 6.674 0.706 327 HZ PHE 47 HZ PHE 47 116.978 4.398 -0.186 328 H SER 48 H SER 48 114.012 7.558 5.930 329 HA SER 48 HA SER 48 116.772 7.239 6.359 330 1HB SER 48 1HB SER 48 115.317 9.388 6.436 331 2HB SER 48 2HB SER 48 115.067 8.972 8.131 332 HG SER 48 HG SER 48 117.131 9.373 8.554 333 H ARG 49 H ARG 49 114.153 5.769 7.969 334 HA ARG 49 HA ARG 49 115.581 5.407 10.481 335 1HB ARG 49 1HB ARG 49 113.213 5.861 10.637 336 2HB ARG 49 2HB ARG 49 112.842 4.533 9.548 337 1HG ARG 49 1HG ARG 49 112.363 3.535 11.522 338 2HG ARG 49 2HG ARG 49 114.077 3.129 11.420 339 1HD ARG 49 1HD ARG 49 114.661 4.927 12.888 340 2HD ARG 49 2HD ARG 49 113.011 5.559 12.849 341 HE ARG 49 HE ARG 49 113.157 2.872 13.838 342 1HH1 ARG 49 1HH1 ARG 49 113.488 6.241 14.737 343 2HH1 ARG 49 2HH1 ARG 49 113.126 5.957 16.406 344 1HH2 ARG 49 1HH2 ARG 49 112.683 2.506 16.038 345 2HH2 ARG 49 2HH2 ARG 49 112.670 3.838 17.145 346 H VAL 50 H VAL 50 114.415 3.477 7.739 347 HA VAL 50 HA VAL 50 115.534 1.030 8.810 348 HB VAL 50 HB VAL 50 114.443 1.423 6.026 349 1HG1 VAL 50 1HG1 VAL 50 115.740 -0.679 6.815 350 2HG1 VAL 50 2HG1 VAL 50 114.239 -0.869 5.909 351 3HG1 VAL 50 3HG1 VAL 50 114.244 -1.067 7.661 352 1HG2 VAL 50 1HG2 VAL 50 112.715 0.336 8.181 353 2HG2 VAL 50 2HG2 VAL 50 112.283 1.190 6.700 354 3HG2 VAL 50 3HG2 VAL 50 112.918 2.084 8.082 355 H PHE 51 H PHE 51 116.374 3.416 6.352 356 HA PHE 51 HA PHE 51 118.716 1.811 5.597 357 1HB PHE 51 1HB PHE 51 117.539 4.220 4.201 358 2HB PHE 51 2HB PHE 51 118.835 3.187 3.597 359 HD1 PHE 51 HD1 PHE 51 118.342 1.333 2.294 360 HD2 PHE 51 HD2 PHE 51 115.245 3.133 4.575 361 HE1 PHE 51 HE1 PHE 51 116.691 -0.084 1.159 362 HE2 PHE 51 HE2 PHE 51 113.588 1.719 3.450 363 HZ PHE 51 HZ PHE 51 114.310 0.116 1.732 364 H ALA 52 H ALA 52 117.793 5.008 6.800 365 HA ALA 52 HA ALA 52 118.997 6.524 8.037 366 1HB ALA 52 1HB ALA 52 121.506 4.948 7.623 367 2HB ALA 52 2HB ALA 52 120.292 4.443 8.799 368 3HB ALA 52 3HB ALA 52 121.077 6.015 8.959 369 H MET 53 H MET 53 118.961 6.126 4.964 370 HA MET 53 HA MET 53 120.807 8.328 4.348 371 1HB MET 53 1HB MET 53 120.821 6.931 2.022 372 2HB MET 53 2HB MET 53 122.089 6.859 3.241 373 1HG MET 53 1HG MET 53 121.560 4.763 3.871 374 2HG MET 53 2HG MET 53 119.828 5.007 3.623 375 1HE MET 53 1HE MET 53 118.990 5.598 1.166 376 2HE MET 53 2HE MET 53 119.629 4.819 -0.281 377 3HE MET 53 3HE MET 53 120.432 6.236 0.376 378 H SER 54 H SER 54 120.224 9.529 2.471 379 HA SER 54 HA SER 54 117.453 10.119 2.416 380 1HB SER 54 1HB SER 54 119.814 11.047 0.780 381 2HB SER 54 2HB SER 54 118.175 11.662 0.511 382 HG SER 54 HG SER 54 118.239 12.706 2.384 383 HA PRO 55 HA PRO 55 115.821 7.421 -0.709 384 1HB PRO 55 1HB PRO 55 114.528 9.898 -1.760 385 2HB PRO 55 2HB PRO 55 113.802 8.337 -1.360 386 1HG PRO 55 1HG PRO 55 113.499 10.441 0.253 387 2HG PRO 55 2HG PRO 55 113.716 8.804 0.908 388 1HD PRO 55 1HD PRO 55 115.650 11.070 0.781 389 2HD PRO 55 2HD PRO 55 115.475 9.797 2.010 390 H GLU 56 H GLU 56 117.122 10.590 -1.574 391 HA GLU 56 HA GLU 56 117.655 9.923 -4.307 392 1HB GLU 56 1HB GLU 56 118.654 12.054 -4.484 393 2HB GLU 56 2HB GLU 56 117.341 12.267 -3.328 394 1HG GLU 56 1HG GLU 56 118.939 12.132 -1.484 395 2HG GLU 56 2HG GLU 56 120.256 11.924 -2.645 396 H GLU 57 H GLU 57 119.423 9.818 -1.258 397 HA GLU 57 HA GLU 57 122.009 9.423 -2.166 398 1HB GLU 57 1HB GLU 57 120.565 8.816 0.360 399 2HB GLU 57 2HB GLU 57 121.933 7.764 0.022 400 1HG GLU 57 1HG GLU 57 123.372 9.733 -0.235 401 2HG GLU 57 2HG GLU 57 121.998 10.763 0.164 402 H PHE 58 H PHE 58 119.576 6.901 -1.415 403 HA PHE 58 HA PHE 58 120.881 4.591 -2.083 404 1HB PHE 58 1HB PHE 58 118.317 5.199 -1.494 405 2HB PHE 58 2HB PHE 58 118.132 4.907 -3.221 406 HD1 PHE 58 HD1 PHE 58 118.499 3.422 0.033 407 HD2 PHE 58 HD2 PHE 58 118.781 2.669 -4.145 408 HE1 PHE 58 HE1 PHE 58 118.338 1.019 0.466 409 HE2 PHE 58 HE2 PHE 58 118.614 0.249 -3.714 410 HZ PHE 58 HZ PHE 58 118.391 -0.576 -1.400 411 H GLY 59 H GLY 59 119.030 6.552 -4.453 412 1HA GLY 59 1HA GLY 59 119.715 5.079 -6.724 413 2HA GLY 59 2HA GLY 59 119.251 6.773 -6.728 414 H LYS 60 H LYS 60 121.509 7.595 -5.049 415 HA LYS 60 HA LYS 60 123.527 7.695 -7.147 416 1HB LYS 60 1HB LYS 60 123.237 9.220 -4.555 417 2HB LYS 60 2HB LYS 60 124.563 9.447 -5.695 418 1HG LYS 60 1HG LYS 60 123.048 10.226 -7.387 419 2HG LYS 60 2HG LYS 60 121.652 9.848 -6.367 420 1HD LYS 60 1HD LYS 60 122.216 11.558 -4.818 421 2HD LYS 60 2HD LYS 60 123.803 11.795 -5.553 422 1HE LYS 60 1HE LYS 60 122.348 12.324 -7.690 423 2HE LYS 60 2HE LYS 60 121.119 12.691 -6.481 424 1HZ LYS 60 1HZ LYS 60 122.390 14.654 -7.093 425 2HZ LYS 60 2HZ LYS 60 123.827 13.906 -6.608 426 3HZ LYS 60 3HZ LYS 60 122.635 14.268 -5.463 427 H LEU 61 H LEU 61 122.969 5.563 -4.704 428 HA LEU 61 HA LEU 61 125.588 5.400 -3.581 429 1HB LEU 61 1HB LEU 61 123.155 3.603 -3.443 430 2HB LEU 61 2HB LEU 61 124.619 3.320 -2.532 431 HG LEU 61 HG LEU 61 122.650 5.535 -2.186 432 1HD1 LEU 61 1HD1 LEU 61 123.695 3.321 -0.471 433 2HD1 LEU 61 2HD1 LEU 61 122.042 3.607 -1.014 434 3HD1 LEU 61 3HD1 LEU 61 122.781 4.686 0.169 435 1HD2 LEU 61 1HD2 LEU 61 124.243 6.328 -0.379 436 2HD2 LEU 61 2HD2 LEU 61 124.700 6.693 -2.043 437 3HD2 LEU 61 3HD2 LEU 61 125.477 5.361 -1.188 438 H ALA 62 H ALA 62 125.300 2.349 -3.806 439 HA ALA 62 HA ALA 62 126.266 2.028 -6.557 440 1HB ALA 62 1HB ALA 62 127.515 0.637 -4.201 441 2HB ALA 62 2HB ALA 62 128.133 2.138 -4.886 442 3HB ALA 62 3HB ALA 62 128.086 0.674 -5.868 443 H LEU 63 H LEU 63 126.383 -0.360 -7.179 444 HA LEU 63 HA LEU 63 123.806 -1.497 -6.884 445 1HB LEU 63 1HB LEU 63 125.459 -1.733 -8.815 446 2HB LEU 63 2HB LEU 63 126.234 -2.979 -7.851 447 HG LEU 63 HG LEU 63 123.408 -3.486 -7.998 448 1HD1 LEU 63 1HD1 LEU 63 124.813 -3.237 -10.652 449 2HD1 LEU 63 2HD1 LEU 63 123.485 -2.226 -10.082 450 3HD1 LEU 63 3HD1 LEU 63 123.219 -3.943 -10.381 451 1HD2 LEU 63 1HD2 LEU 63 124.102 -5.642 -8.443 452 2HD2 LEU 63 2HD2 LEU 63 125.487 -4.982 -7.570 453 3HD2 LEU 63 3HD2 LEU 63 125.532 -5.112 -9.329 454 H TRP 64 H TRP 64 126.816 -2.048 -5.177 455 HA TRP 64 HA TRP 64 125.882 -4.460 -3.926 456 1HB TRP 64 1HB TRP 64 128.069 -4.181 -2.677 457 2HB TRP 64 2HB TRP 64 128.223 -4.328 -4.434 458 HD1 TRP 64 HD1 TRP 64 129.241 -2.254 -5.705 459 HE1 TRP 64 HE1 TRP 64 130.197 -0.003 -4.931 460 HE3 TRP 64 HE3 TRP 64 127.629 -2.407 -1.030 461 HZ2 TRP 64 HZ2 TRP 64 130.249 1.507 -2.475 462 HZ3 TRP 64 HZ3 TRP 64 128.167 -0.526 0.522 463 HH2 TRP 64 HH2 TRP 64 129.429 1.382 -0.207 464 H LYS 65 H LYS 65 126.192 -1.056 -3.363 465 HA LYS 65 HA LYS 65 125.597 -1.079 -0.570 466 1HB LYS 65 1HB LYS 65 126.616 0.809 -2.124 467 2HB LYS 65 2HB LYS 65 124.924 1.274 -2.288 468 1HG LYS 65 1HG LYS 65 124.716 1.784 -0.025 469 2HG LYS 65 2HG LYS 65 126.168 0.869 0.408 470 1HD LYS 65 1HD LYS 65 127.573 2.506 -0.674 471 2HD LYS 65 2HD LYS 65 126.155 3.382 -1.267 472 1HE LYS 65 1HE LYS 65 126.789 4.621 0.591 473 2HE LYS 65 2HE LYS 65 125.516 3.570 1.232 474 1HZ LYS 65 1HZ LYS 65 127.465 3.679 2.686 475 2HZ LYS 65 2HZ LYS 65 128.436 3.047 1.454 476 3HZ LYS 65 3HZ LYS 65 127.198 2.106 2.122 477 H ARG 66 H ARG 66 123.633 -0.018 -3.364 478 HA ARG 66 HA ARG 66 121.186 0.273 -2.158 479 1HB ARG 66 1HB ARG 66 121.752 -0.883 -4.893 480 2HB ARG 66 2HB ARG 66 120.185 -0.286 -4.358 481 1HG ARG 66 1HG ARG 66 121.114 1.935 -4.065 482 2HG ARG 66 2HG ARG 66 122.700 1.336 -4.557 483 1HD ARG 66 1HD ARG 66 120.399 0.903 -6.393 484 2HD ARG 66 2HD ARG 66 121.071 2.536 -6.257 485 HE ARG 66 HE ARG 66 122.807 0.242 -6.880 486 1HH1 ARG 66 1HH1 ARG 66 121.478 3.364 -7.779 487 2HH1 ARG 66 2HH1 ARG 66 122.575 3.579 -9.099 488 1HH2 ARG 66 1HH2 ARG 66 124.240 0.542 -8.620 489 2HH2 ARG 66 2HH2 ARG 66 124.139 1.982 -9.577 490 H ASN 67 H ASN 67 122.676 -2.667 -3.395 491 HA ASN 67 HA ASN 67 120.530 -4.423 -2.860 492 1HB ASN 67 1HB ASN 67 123.406 -4.699 -3.453 493 2HB ASN 67 2HB ASN 67 122.724 -6.026 -2.511 494 1HD2 ASN 67 1HD2 ASN 67 122.264 -4.128 -5.459 495 2HD2 ASN 67 2HD2 ASN 67 121.522 -5.397 -6.368 496 H GLU 68 H GLU 68 123.531 -4.127 -0.954 497 HA GLU 68 HA GLU 68 122.873 -5.513 1.281 498 1HB GLU 68 1HB GLU 68 124.617 -3.129 0.828 499 2HB GLU 68 2HB GLU 68 124.354 -3.694 2.472 500 1HG GLU 68 1HG GLU 68 125.623 -5.527 2.192 501 2HG GLU 68 2HG GLU 68 125.096 -5.771 0.528 502 H LEU 69 H LEU 69 121.900 -2.177 0.536 503 HA LEU 69 HA LEU 69 120.830 -1.602 3.094 504 1HB LEU 69 1HB LEU 69 119.900 -0.434 0.485 505 2HB LEU 69 2HB LEU 69 119.742 0.266 2.084 506 HG LEU 69 HG LEU 69 122.433 -0.319 1.074 507 1HD1 LEU 69 1HD1 LEU 69 122.515 1.301 -0.467 508 2HD1 LEU 69 2HD1 LEU 69 121.413 2.342 0.433 509 3HD1 LEU 69 3HD1 LEU 69 120.777 1.027 -0.548 510 1HD2 LEU 69 1HD2 LEU 69 122.313 0.457 3.314 511 2HD2 LEU 69 2HD2 LEU 69 121.222 1.767 2.861 512 3HD2 LEU 69 3HD2 LEU 69 122.906 1.799 2.336 513 H LYS 70 H LYS 70 119.193 -2.338 0.056 514 HA LYS 70 HA LYS 70 116.614 -2.839 1.106 515 1HB LYS 70 1HB LYS 70 118.110 -3.575 -1.367 516 2HB LYS 70 2HB LYS 70 116.639 -4.469 -1.010 517 1HG LYS 70 1HG LYS 70 115.341 -2.446 -1.021 518 2HG LYS 70 2HG LYS 70 116.803 -1.469 -1.196 519 1HD LYS 70 1HD LYS 70 116.196 -1.544 -3.383 520 2HD LYS 70 2HD LYS 70 117.108 -3.053 -3.323 521 1HE LYS 70 1HE LYS 70 115.141 -4.350 -3.160 522 2HE LYS 70 2HE LYS 70 114.149 -2.936 -2.801 523 1HZ LYS 70 1HZ LYS 70 114.519 -2.139 -5.044 524 2HZ LYS 70 2HZ LYS 70 113.857 -3.694 -5.082 525 3HZ LYS 70 3HZ LYS 70 115.504 -3.471 -5.391 526 H LYS 71 H LYS 71 119.540 -4.695 1.099 527 HA LYS 71 HA LYS 71 118.312 -7.215 1.733 528 1HB LYS 71 1HB LYS 71 121.144 -6.209 1.454 529 2HB LYS 71 2HB LYS 71 120.807 -7.820 2.107 530 1HG LYS 71 1HG LYS 71 119.784 -8.514 0.092 531 2HG LYS 71 2HG LYS 71 119.721 -6.858 -0.521 532 1HD LYS 71 1HD LYS 71 121.633 -7.318 -1.582 533 2HD LYS 71 2HD LYS 71 122.411 -7.270 0.001 534 1HE LYS 71 1HE LYS 71 121.138 -9.772 -1.070 535 2HE LYS 71 2HE LYS 71 122.802 -9.337 -1.458 536 1HZ LYS 71 1HZ LYS 71 122.800 -10.792 0.418 537 2HZ LYS 71 2HZ LYS 71 121.678 -9.834 1.245 538 3HZ LYS 71 3HZ LYS 71 123.240 -9.251 0.961 539 H LYS 72 H LYS 72 119.689 -4.554 3.535 540 HA LYS 72 HA LYS 72 119.646 -6.069 6.016 541 1HB LYS 72 1HB LYS 72 121.633 -4.793 5.798 542 2HB LYS 72 2HB LYS 72 120.751 -3.373 5.256 543 1HG LYS 72 1HG LYS 72 120.019 -4.301 7.940 544 2HG LYS 72 2HG LYS 72 121.694 -3.761 7.773 545 1HD LYS 72 1HD LYS 72 121.036 -1.637 7.805 546 2HD LYS 72 2HD LYS 72 119.994 -1.916 6.410 547 1HE LYS 72 1HE LYS 72 118.145 -1.917 7.667 548 2HE LYS 72 2HE LYS 72 118.870 -2.978 8.874 549 1HZ LYS 72 1HZ LYS 72 118.289 -0.827 9.809 550 2HZ LYS 72 2HZ LYS 72 119.284 -0.042 8.689 551 3HZ LYS 72 3HZ LYS 72 119.964 -1.062 9.854 552 H ALA 73 H ALA 73 118.008 -3.559 4.287 553 HA ALA 73 HA ALA 73 116.428 -2.583 6.455 554 1HB ALA 73 1HB ALA 73 116.769 -2.034 3.602 555 2HB ALA 73 2HB ALA 73 116.461 -0.930 4.941 556 3HB ALA 73 3HB ALA 73 115.123 -1.801 4.191 557 H GLU 74 H GLU 74 116.351 -5.545 5.094 558 HA GLU 74 HA GLU 74 114.857 -7.246 5.169 559 1HB GLU 74 1HB GLU 74 112.971 -5.221 6.384 560 2HB GLU 74 2HB GLU 74 112.713 -6.954 6.338 561 1HG GLU 74 1HG GLU 74 114.980 -7.070 7.592 562 2HG GLU 74 2HG GLU 74 114.656 -5.377 7.962 563 H LEU 75 H LEU 75 114.881 -5.002 2.995 564 HA LEU 75 HA LEU 75 112.634 -6.137 1.552 565 1HB LEU 75 1HB LEU 75 112.669 -3.470 0.725 566 2HB LEU 75 2HB LEU 75 111.388 -4.310 1.599 567 HG LEU 75 HG LEU 75 113.137 -3.580 3.583 568 1HD1 LEU 75 1HD1 LEU 75 114.521 -2.200 2.265 569 2HD1 LEU 75 2HD1 LEU 75 113.442 -1.112 3.146 570 3HD1 LEU 75 3HD1 LEU 75 113.136 -1.477 1.442 571 1HD2 LEU 75 1HD2 LEU 75 111.403 -1.591 3.747 572 2HD2 LEU 75 2HD2 LEU 75 110.937 -3.259 4.076 573 3HD2 LEU 75 3HD2 LEU 75 110.577 -2.535 2.508 574 H PHE 76 H PHE 76 114.600 -7.273 0.726 575 HA PHE 76 HA PHE 76 115.696 -5.764 -1.561 576 1HB PHE 76 1HB PHE 76 117.693 -6.238 -0.618 577 2HB PHE 76 2HB PHE 76 117.018 -7.507 0.410 578 HD1 PHE 76 HD1 PHE 76 117.242 -9.783 -0.177 579 HD2 PHE 76 HD2 PHE 76 118.311 -6.757 -2.973 580 HE1 PHE 76 HE1 PHE 76 118.302 -11.482 -1.605 581 HE2 PHE 76 HE2 PHE 76 119.371 -8.451 -4.406 582 HZ PHE 76 HZ PHE 76 119.367 -10.817 -3.724 Start of MODEL 2 1 HT1 PRO 9 HT1 PRO 9 99.976 13.551 -9.846 2 HT2 PRO 9 HT2 PRO 9 100.688 12.144 -9.376 3 HA PRO 9 HA PRO 9 101.754 14.506 -9.522 4 1HB PRO 9 1HB PRO 9 102.072 14.125 -6.662 5 2HB PRO 9 2HB PRO 9 101.619 15.585 -7.550 6 1HG PRO 9 1HG PRO 9 99.876 14.200 -5.987 7 2HG PRO 9 2HG PRO 9 99.378 15.138 -7.407 8 1HD PRO 9 1HD PRO 9 99.819 12.177 -7.151 9 2HD PRO 9 2HD PRO 9 98.503 13.048 -7.963 10 H GLY 10 H GLY 10 101.927 11.800 -7.191 11 1HA GLY 10 1HA GLY 10 104.342 10.838 -8.525 12 2HA GLY 10 2HA GLY 10 104.506 11.316 -6.844 13 H LEU 11 H LEU 11 104.643 9.595 -5.634 14 HA LEU 11 HA LEU 11 102.835 7.344 -6.189 15 1HB LEU 11 1HB LEU 11 104.549 5.926 -5.104 16 2HB LEU 11 2HB LEU 11 105.067 6.652 -6.612 17 HG LEU 11 HG LEU 11 105.886 8.446 -4.623 18 1HD1 LEU 11 1HD1 LEU 11 107.045 5.847 -3.809 19 2HD1 LEU 11 2HD1 LEU 11 105.428 6.231 -3.218 20 3HD1 LEU 11 3HD1 LEU 11 106.775 7.317 -2.871 21 1HD2 LEU 11 1HD2 LEU 11 108.008 8.059 -5.487 22 2HD2 LEU 11 2HD2 LEU 11 106.941 7.617 -6.820 23 3HD2 LEU 11 3HD2 LEU 11 107.669 6.360 -5.820 24 H GLN 12 H GLN 12 102.310 6.021 -4.248 25 HA GLN 12 HA GLN 12 101.596 7.804 -2.057 26 1HB GLN 12 1HB GLN 12 100.448 5.499 -1.315 27 2HB GLN 12 2HB GLN 12 99.696 6.621 -2.437 28 1HG GLN 12 1HG GLN 12 101.445 4.433 -3.468 29 2HG GLN 12 2HG GLN 12 99.784 4.089 -2.985 30 1HE2 GLN 12 1HE2 GLN 12 101.427 4.386 -5.611 31 2HE2 GLN 12 2HE2 GLN 12 100.353 5.280 -6.627 32 H ILE 13 H ILE 13 102.463 7.763 -0.084 33 HA ILE 13 HA ILE 13 104.663 5.903 0.397 34 HB ILE 13 HB ILE 13 103.948 8.158 2.236 35 1HG1 ILE 13 1HG1 ILE 13 104.029 9.003 -0.140 36 2HG1 ILE 13 2HG1 ILE 13 105.226 9.709 0.940 37 1HG2 ILE 13 1HG2 ILE 13 106.402 6.576 1.571 38 2HG2 ILE 13 2HG2 ILE 13 105.643 6.849 3.141 39 3HG2 ILE 13 3HG2 ILE 13 106.525 8.155 2.347 40 1HD1 ILE 13 1HD1 ILE 13 106.211 9.220 -1.205 41 2HD1 ILE 13 2HD1 ILE 13 105.717 7.532 -1.073 42 3HD1 ILE 13 3HD1 ILE 13 106.920 8.190 0.038 43 H TYR 14 H TYR 14 104.385 4.167 1.639 44 HA TYR 14 HA TYR 14 102.241 4.213 3.664 45 1HB TYR 14 1HB TYR 14 103.141 1.868 1.976 46 2HB TYR 14 2HB TYR 14 101.921 1.801 3.247 47 HD1 TYR 14 HD1 TYR 14 102.478 2.234 -0.212 48 HD2 TYR 14 HD2 TYR 14 99.894 3.424 2.951 49 HE1 TYR 14 HE1 TYR 14 100.747 2.820 -1.855 50 HE2 TYR 14 HE2 TYR 14 98.154 4.013 1.317 51 HH TYR 14 HH TYR 14 97.507 3.590 -0.919 52 HA PRO 15 HA PRO 15 104.897 3.026 6.966 53 1HB PRO 15 1HB PRO 15 103.486 0.389 7.052 54 2HB PRO 15 2HB PRO 15 103.849 1.516 8.370 55 1HG PRO 15 1HG PRO 15 101.395 1.380 7.359 56 2HG PRO 15 2HG PRO 15 102.106 2.944 7.802 57 1HD PRO 15 1HD PRO 15 101.679 1.750 5.107 58 2HD PRO 15 2HD PRO 15 101.615 3.452 5.612 59 H TYR 16 H TYR 16 106.548 1.436 7.636 60 HA TYR 16 HA TYR 16 107.877 0.357 5.312 61 1HB TYR 16 1HB TYR 16 109.368 1.467 6.698 62 2HB TYR 16 2HB TYR 16 108.611 0.863 8.170 63 HD1 TYR 16 HD1 TYR 16 109.296 -1.163 9.159 64 HD2 TYR 16 HD2 TYR 16 110.873 -0.006 5.388 65 HE1 TYR 16 HE1 TYR 16 111.012 -2.920 9.347 66 HE2 TYR 16 HE2 TYR 16 112.593 -1.756 5.548 67 HH TYR 16 HH TYR 16 113.702 -3.027 7.828 68 H GLU 17 H GLU 17 107.025 -0.961 8.524 69 HA GLU 17 HA GLU 17 107.613 -3.612 8.125 70 1HB GLU 17 1HB GLU 17 106.009 -2.092 9.959 71 2HB GLU 17 2HB GLU 17 105.158 -3.574 9.547 72 1HG GLU 17 1HG GLU 17 106.571 -4.849 10.709 73 2HG GLU 17 2HG GLU 17 107.989 -3.975 10.123 74 H MET 18 H MET 18 104.936 -1.810 6.795 75 HA MET 18 HA MET 18 103.558 -4.194 5.884 76 1HB MET 18 1HB MET 18 103.051 -1.245 5.487 77 2HB MET 18 2HB MET 18 102.075 -2.494 4.723 78 1HG MET 18 1HG MET 18 102.053 -3.272 7.340 79 2HG MET 18 2HG MET 18 102.062 -1.512 7.470 80 1HE MET 18 1HE MET 18 99.326 -4.432 5.663 81 2HE MET 18 2HE MET 18 98.850 -4.160 7.339 82 3HE MET 18 3HE MET 18 100.515 -4.595 6.955 83 H LEU 19 H LEU 19 105.788 -1.819 4.679 84 HA LEU 19 HA LEU 19 105.522 -2.732 1.931 85 1HB LEU 19 1HB LEU 19 107.019 -0.516 3.279 86 2HB LEU 19 2HB LEU 19 107.386 -0.971 1.623 87 HG LEU 19 HG LEU 19 104.672 -0.080 2.599 88 1HD1 LEU 19 1HD1 LEU 19 105.144 1.998 1.393 89 2HD1 LEU 19 2HD1 LEU 19 106.782 1.433 1.065 90 3HD1 LEU 19 3HD1 LEU 19 106.273 1.746 2.725 91 1HD2 LEU 19 1HD2 LEU 19 104.931 -1.642 0.575 92 2HD2 LEU 19 2HD2 LEU 19 105.612 -0.235 -0.233 93 3HD2 LEU 19 3HD2 LEU 19 103.963 -0.182 0.393 94 H VAL 20 H VAL 20 106.941 -4.081 4.456 95 HA VAL 20 HA VAL 20 109.629 -4.451 3.637 96 HB VAL 20 HB VAL 20 107.964 -6.280 5.378 97 1HG1 VAL 20 1HG1 VAL 20 110.332 -6.489 6.449 98 2HG1 VAL 20 2HG1 VAL 20 110.882 -5.991 4.849 99 3HG1 VAL 20 3HG1 VAL 20 109.916 -7.456 5.033 100 1HG2 VAL 20 1HG2 VAL 20 109.504 -3.784 6.023 101 2HG2 VAL 20 2HG2 VAL 20 108.985 -4.950 7.239 102 3HG2 VAL 20 3HG2 VAL 20 107.791 -4.096 6.267 103 H VAL 21 H VAL 21 110.487 -6.724 3.017 104 HA VAL 21 HA VAL 21 108.827 -7.611 0.773 105 HB VAL 21 HB VAL 21 111.762 -8.027 1.315 106 1HG1 VAL 21 1HG1 VAL 21 111.250 -8.392 -1.399 107 2HG1 VAL 21 2HG1 VAL 21 109.977 -9.288 -0.570 108 3HG1 VAL 21 3HG1 VAL 21 111.671 -9.633 -0.218 109 1HG2 VAL 21 1HG2 VAL 21 110.393 -6.194 -0.649 110 2HG2 VAL 21 2HG2 VAL 21 112.130 -6.359 -0.394 111 3HG2 VAL 21 3HG2 VAL 21 111.113 -5.692 0.882 112 H THR 22 H THR 22 111.206 -9.327 2.838 113 HA THR 22 HA THR 22 109.492 -11.701 2.614 114 HB THR 22 HB THR 22 112.426 -11.457 3.282 115 HG1 THR 22 HG1 THR 22 111.056 -12.395 0.986 116 1HG2 THR 22 1HG2 THR 22 111.439 -13.411 4.391 117 2HG2 THR 22 2HG2 THR 22 112.565 -13.856 3.109 118 3HG2 THR 22 3HG2 THR 22 110.826 -13.965 2.833 119 H ASN 23 H ASN 23 111.478 -9.992 4.983 120 HA ASN 23 HA ASN 23 111.110 -11.421 7.237 121 1HB ASN 23 1HB ASN 23 111.034 -8.410 7.003 122 2HB ASN 23 2HB ASN 23 111.319 -9.303 8.500 123 1HD2 ASN 23 1HD2 ASN 23 112.589 -8.551 5.326 124 2HD2 ASN 23 2HD2 ASN 23 114.229 -8.973 5.668 125 H LYS 24 H LYS 24 108.621 -9.568 5.635 126 HA LYS 24 HA LYS 24 106.788 -10.255 7.840 127 1HB LYS 24 1HB LYS 24 107.132 -7.793 6.280 128 2HB LYS 24 2HB LYS 24 105.457 -8.319 6.435 129 1HG LYS 24 1HG LYS 24 105.505 -7.175 8.353 130 2HG LYS 24 2HG LYS 24 106.336 -8.597 8.988 131 1HD LYS 24 1HD LYS 24 107.750 -6.240 7.760 132 2HD LYS 24 2HD LYS 24 107.455 -6.409 9.491 133 1HE LYS 24 1HE LYS 24 108.581 -8.785 9.014 134 2HE LYS 24 2HE LYS 24 109.347 -7.854 7.727 135 1HZ LYS 24 1HZ LYS 24 110.802 -7.374 9.353 136 2HZ LYS 24 2HZ LYS 24 109.706 -7.687 10.602 137 3HZ LYS 24 3HZ LYS 24 109.660 -6.204 9.790 138 H GLY 25 H GLY 25 107.557 -11.887 5.491 139 1HA GLY 25 1HA GLY 25 106.002 -13.550 4.646 140 2HA GLY 25 2HA GLY 25 104.834 -12.258 4.417 141 H ARG 26 H ARG 26 104.631 -11.445 2.437 142 HA ARG 26 HA ARG 26 106.897 -11.622 0.586 143 1HB ARG 26 1HB ARG 26 104.199 -12.147 -0.539 144 2HB ARG 26 2HB ARG 26 105.762 -12.781 -1.022 145 1HG ARG 26 1HG ARG 26 104.698 -14.652 -0.202 146 2HG ARG 26 2HG ARG 26 105.645 -14.117 1.187 147 1HD ARG 26 1HD ARG 26 103.651 -14.393 2.237 148 2HD ARG 26 2HD ARG 26 103.410 -12.742 1.667 149 HE ARG 26 HE ARG 26 102.475 -14.333 -0.357 150 1HH1 ARG 26 1HH1 ARG 26 101.766 -13.970 3.041 151 2HH1 ARG 26 2HH1 ARG 26 100.106 -14.433 2.873 152 1HH2 ARG 26 1HH2 ARG 26 100.292 -14.940 -0.581 153 2HH2 ARG 26 2HH2 ARG 26 99.268 -14.985 0.816 154 H THR 27 H THR 27 105.468 -10.596 -1.658 155 HA THR 27 HA THR 27 105.681 -7.876 -1.258 156 HB THR 27 HB THR 27 105.621 -8.381 -3.502 157 HG1 THR 27 HG1 THR 27 104.242 -6.883 -3.930 158 1HG2 THR 27 1HG2 THR 27 104.900 -10.386 -4.099 159 2HG2 THR 27 2HG2 THR 27 103.295 -9.663 -4.215 160 3HG2 THR 27 3HG2 THR 27 103.789 -10.482 -2.733 161 H LYS 28 H LYS 28 102.437 -9.021 -2.089 162 HA LYS 28 HA LYS 28 100.398 -8.346 -1.335 163 1HB LYS 28 1HB LYS 28 101.969 -8.920 1.160 164 2HB LYS 28 2HB LYS 28 100.247 -8.569 1.193 165 1HG LYS 28 1HG LYS 28 100.375 -10.896 1.202 166 2HG LYS 28 2HG LYS 28 99.983 -10.476 -0.466 167 1HD LYS 28 1HD LYS 28 102.753 -10.449 -0.416 168 2HD LYS 28 2HD LYS 28 102.322 -11.807 0.620 169 1HE LYS 28 1HE LYS 28 102.597 -12.516 -1.700 170 2HE LYS 28 2HE LYS 28 100.941 -12.751 -1.146 171 1HZ LYS 28 1HZ LYS 28 101.947 -11.072 -3.248 172 2HZ LYS 28 2HZ LYS 28 100.888 -10.261 -2.209 173 3HZ LYS 28 3HZ LYS 28 100.384 -11.670 -2.996 174 H LEU 29 H LEU 29 102.534 -6.252 -1.683 175 HA LEU 29 HA LEU 29 102.428 -4.261 0.210 176 1HB LEU 29 1HB LEU 29 103.035 -4.508 -2.664 177 2HB LEU 29 2HB LEU 29 102.725 -2.890 -2.078 178 HG LEU 29 HG LEU 29 104.826 -2.756 -1.509 179 1HD1 LEU 29 1HD1 LEU 29 104.338 -5.075 0.347 180 2HD1 LEU 29 2HD1 LEU 29 104.083 -3.372 0.730 181 3HD1 LEU 29 3HD1 LEU 29 105.711 -3.973 0.422 182 1HD2 LEU 29 1HD2 LEU 29 104.785 -5.462 -2.575 183 2HD2 LEU 29 2HD2 LEU 29 106.155 -5.082 -1.528 184 3HD2 LEU 29 3HD2 LEU 29 105.832 -4.094 -2.952 185 HA PRO 30 HA PRO 30 98.649 -2.017 0.002 186 1HB PRO 30 1HB PRO 30 100.268 0.395 -0.606 187 2HB PRO 30 2HB PRO 30 99.145 0.103 0.728 188 1HG PRO 30 1HG PRO 30 101.812 0.138 1.086 189 2HG PRO 30 2HG PRO 30 100.743 -0.919 2.028 190 1HD PRO 30 1HD PRO 30 102.598 -1.599 -0.201 191 2HD PRO 30 2HD PRO 30 102.088 -2.569 1.192 192 HA PRO 31 HA PRO 31 97.725 -1.069 -4.245 193 1HB PRO 31 1HB PRO 31 96.505 1.332 -4.359 194 2HB PRO 31 2HB PRO 31 95.751 -0.073 -3.590 195 1HG PRO 31 1HG PRO 31 97.153 2.250 -2.339 196 2HG PRO 31 2HG PRO 31 95.684 1.410 -1.812 197 1HD PRO 31 1HD PRO 31 98.175 0.987 -0.740 198 2HD PRO 31 2HD PRO 31 96.868 -0.211 -0.714 199 H GLY 32 H GLY 32 99.538 -0.900 -5.478 200 1HA GLY 32 1HA GLY 32 100.773 0.365 -7.049 201 2HA GLY 32 2HA GLY 32 100.475 1.805 -6.089 202 H VAL 33 H VAL 33 101.725 -1.277 -4.908 203 HA VAL 33 HA VAL 33 104.398 -0.118 -4.596 204 HB VAL 33 HB VAL 33 104.008 -1.527 -2.229 205 1HG1 VAL 33 1HG1 VAL 33 104.297 1.344 -2.985 206 2HG1 VAL 33 2HG1 VAL 33 105.470 0.265 -2.230 207 3HG1 VAL 33 3HG1 VAL 33 104.104 0.880 -1.296 208 1HG2 VAL 33 1HG2 VAL 33 101.674 -1.449 -2.227 209 2HG2 VAL 33 2HG2 VAL 33 101.634 0.173 -2.914 210 3HG2 VAL 33 3HG2 VAL 33 102.143 -0.064 -1.245 211 H ASP 34 H ASP 34 105.900 -1.433 -5.251 212 HA ASP 34 HA ASP 34 105.421 -4.328 -5.130 213 1HB ASP 34 1HB ASP 34 105.241 -3.053 -7.461 214 2HB ASP 34 2HB ASP 34 106.997 -3.220 -7.405 215 H ARG 35 H ARG 35 107.244 -5.621 -4.844 216 HA ARG 35 HA ARG 35 109.235 -4.605 -3.182 217 1HB ARG 35 1HB ARG 35 109.694 -7.080 -4.812 218 2HB ARG 35 2HB ARG 35 110.147 -6.754 -3.146 219 1HG ARG 35 1HG ARG 35 107.439 -6.616 -2.991 220 2HG ARG 35 2HG ARG 35 107.658 -7.836 -4.252 221 1HD ARG 35 1HD ARG 35 108.986 -7.895 -1.547 222 2HD ARG 35 2HD ARG 35 107.522 -8.784 -1.962 223 HE ARG 35 HE ARG 35 110.232 -9.407 -2.765 224 1HH1 ARG 35 1HH1 ARG 35 106.832 -9.946 -3.350 225 2HH1 ARG 35 2HH1 ARG 35 107.084 -11.463 -4.146 226 1HH2 ARG 35 1HH2 ARG 35 110.561 -11.400 -3.811 227 2HH2 ARG 35 2HH2 ARG 35 109.199 -12.289 -4.407 228 H MET 36 H MET 36 109.013 -4.523 -6.601 229 HA MET 36 HA MET 36 111.644 -4.611 -7.433 230 1HB MET 36 1HB MET 36 109.141 -3.509 -8.452 231 2HB MET 36 2HB MET 36 110.548 -2.600 -8.986 232 1HG MET 36 1HG MET 36 111.546 -4.786 -9.723 233 2HG MET 36 2HG MET 36 109.969 -5.517 -9.407 234 1HE MET 36 1HE MET 36 110.130 -6.458 -11.477 235 2HE MET 36 2HE MET 36 110.394 -5.671 -13.033 236 3HE MET 36 3HE MET 36 108.756 -5.860 -12.407 237 H ARG 37 H ARG 37 109.863 -1.870 -6.061 238 HA ARG 37 HA ARG 37 112.427 -0.593 -5.465 239 1HB ARG 37 1HB ARG 37 111.045 1.625 -6.069 240 2HB ARG 37 2HB ARG 37 112.062 0.788 -7.228 241 1HG ARG 37 1HG ARG 37 109.252 -0.103 -7.056 242 2HG ARG 37 2HG ARG 37 109.540 1.502 -7.730 243 1HD ARG 37 1HD ARG 37 111.339 -0.568 -8.756 244 2HD ARG 37 2HD ARG 37 109.640 -0.848 -9.126 245 HE ARG 37 HE ARG 37 109.603 1.121 -10.394 246 1HH1 ARG 37 1HH1 ARG 37 112.767 0.532 -9.025 247 2HH1 ARG 37 2HH1 ARG 37 113.562 1.649 -10.080 248 1HH2 ARG 37 1HH2 ARG 37 110.656 2.585 -11.776 249 2HH2 ARG 37 2HH2 ARG 37 112.368 2.812 -11.639 250 H LEU 38 H LEU 38 110.640 -2.013 -3.766 251 HA LEU 38 HA LEU 38 108.818 -0.513 -2.359 252 1HB LEU 38 1HB LEU 38 110.446 -2.896 -1.845 253 2HB LEU 38 2HB LEU 38 109.944 -2.037 -0.392 254 HG LEU 38 HG LEU 38 108.070 -3.008 -2.556 255 1HD1 LEU 38 1HD1 LEU 38 109.304 -4.390 -0.358 256 2HD1 LEU 38 2HD1 LEU 38 108.204 -5.005 -1.590 257 3HD1 LEU 38 3HD1 LEU 38 107.560 -4.291 -0.114 258 1HD2 LEU 38 1HD2 LEU 38 106.886 -2.439 -0.004 259 2HD2 LEU 38 2HD2 LEU 38 106.501 -1.784 -1.596 260 3HD2 LEU 38 3HD2 LEU 38 107.750 -1.027 -0.611 261 H GLU 39 H GLU 39 112.274 -0.213 -2.367 262 HA GLU 39 HA GLU 39 112.355 1.297 0.073 263 1HB GLU 39 1HB GLU 39 114.722 1.619 -0.399 264 2HB GLU 39 2HB GLU 39 114.273 -0.074 -0.528 265 1HG GLU 39 1HG GLU 39 115.694 0.311 -2.323 266 2HG GLU 39 2HG GLU 39 114.077 0.328 -3.024 267 H ARG 40 H ARG 40 110.847 2.110 -2.515 268 HA ARG 40 HA ARG 40 111.899 4.859 -2.600 269 1HB ARG 40 1HB ARG 40 111.488 3.033 -4.697 270 2HB ARG 40 2HB ARG 40 110.193 4.213 -4.831 271 1HG ARG 40 1HG ARG 40 112.786 5.441 -4.354 272 2HG ARG 40 2HG ARG 40 112.742 4.474 -5.829 273 1HD ARG 40 1HD ARG 40 110.502 5.730 -6.258 274 2HD ARG 40 2HD ARG 40 111.138 6.889 -5.092 275 HE ARG 40 HE ARG 40 111.951 6.572 -7.797 276 1HH1 ARG 40 1HH1 ARG 40 113.142 7.387 -4.620 277 2HH1 ARG 40 2HH1 ARG 40 114.451 8.348 -5.220 278 1HH2 ARG 40 1HH2 ARG 40 113.674 7.836 -8.589 279 2HH2 ARG 40 2HH2 ARG 40 114.754 8.603 -7.473 280 H HIS 41 H HIS 41 109.361 2.802 -1.800 281 HA HIS 41 HA HIS 41 107.287 4.831 -1.941 282 1HB HIS 41 1HB HIS 41 107.351 1.884 -1.340 283 2HB HIS 41 2HB HIS 41 105.922 2.854 -1.026 284 HD1 HIS 41 HD1 HIS 41 105.097 4.256 -3.291 285 HD2 HIS 41 HD2 HIS 41 107.385 0.828 -3.817 286 HE1 HIS 41 HE1 HIS 41 104.699 3.540 -5.669 287 HE2 HIS 41 HE2 HIS 41 106.158 1.512 -5.988 288 H LEU 42 H LEU 42 109.699 4.110 0.160 289 HA LEU 42 HA LEU 42 108.223 4.256 2.624 290 1HB LEU 42 1HB LEU 42 111.161 4.262 1.953 291 2HB LEU 42 2HB LEU 42 110.544 4.356 3.598 292 HG LEU 42 HG LEU 42 109.473 2.117 2.029 293 1HD1 LEU 42 1HD1 LEU 42 112.178 1.564 3.026 294 2HD1 LEU 42 2HD1 LEU 42 112.090 2.544 1.556 295 3HD1 LEU 42 3HD1 LEU 42 111.332 0.949 1.603 296 1HD2 LEU 42 1HD2 LEU 42 109.099 2.561 4.434 297 2HD2 LEU 42 2HD2 LEU 42 110.811 2.244 4.710 298 3HD2 LEU 42 3HD2 LEU 42 109.764 0.965 4.091 299 H SER 43 H SER 43 108.090 5.980 3.987 300 HA SER 43 HA SER 43 108.380 8.584 2.821 301 1HB SER 43 1HB SER 43 107.769 9.180 5.356 302 2HB SER 43 2HB SER 43 106.551 8.607 4.211 303 HG SER 43 HG SER 43 106.766 7.534 6.382 304 H ALA 44 H ALA 44 109.483 10.363 4.062 305 HA ALA 44 HA ALA 44 112.201 9.997 4.156 306 1HB ALA 44 1HB ALA 44 110.410 12.019 5.439 307 2HB ALA 44 2HB ALA 44 111.550 12.217 4.108 308 3HB ALA 44 3HB ALA 44 112.144 12.044 5.760 309 H GLU 45 H GLU 45 109.938 9.827 6.882 310 HA GLU 45 HA GLU 45 111.858 9.307 8.875 311 1HB GLU 45 1HB GLU 45 109.711 7.998 9.859 312 2HB GLU 45 2HB GLU 45 109.908 9.740 9.948 313 1HG GLU 45 1HG GLU 45 108.347 10.139 8.305 314 2HG GLU 45 2HG GLU 45 108.533 8.539 7.592 315 H ASP 46 H ASP 46 109.695 7.059 7.183 316 HA ASP 46 HA ASP 46 110.713 4.687 8.170 317 1HB ASP 46 1HB ASP 46 109.170 5.482 5.772 318 2HB ASP 46 2HB ASP 46 109.983 3.918 5.685 319 H PHE 47 H PHE 47 111.611 6.275 5.089 320 HA PHE 47 HA PHE 47 113.595 4.488 4.342 321 1HB PHE 47 1HB PHE 47 112.535 6.501 3.074 322 2HB PHE 47 2HB PHE 47 113.869 7.419 3.779 323 HD1 PHE 47 HD1 PHE 47 113.191 4.310 1.870 324 HD2 PHE 47 HD2 PHE 47 115.883 7.502 2.675 325 HE1 PHE 47 HE1 PHE 47 114.693 3.503 0.079 326 HE2 PHE 47 HE2 PHE 47 117.381 6.708 0.889 327 HZ PHE 47 HZ PHE 47 116.779 4.710 -0.414 328 H SER 48 H SER 48 114.101 7.669 5.872 329 HA SER 48 HA SER 48 116.835 7.308 6.349 330 1HB SER 48 1HB SER 48 115.147 9.409 6.570 331 2HB SER 48 2HB SER 48 115.352 9.001 8.273 332 HG SER 48 HG SER 48 117.692 9.010 7.737 333 H ARG 49 H ARG 49 114.167 5.867 7.901 334 HA ARG 49 HA ARG 49 115.566 5.466 10.419 335 1HB ARG 49 1HB ARG 49 113.171 5.933 10.491 336 2HB ARG 49 2HB ARG 49 112.848 4.523 9.492 337 1HG ARG 49 1HG ARG 49 112.362 4.087 11.837 338 2HG ARG 49 2HG ARG 49 113.675 3.063 11.251 339 1HD ARG 49 1HD ARG 49 115.295 4.667 12.233 340 2HD ARG 49 2HD ARG 49 113.936 5.569 12.911 341 HE ARG 49 HE ARG 49 115.031 3.085 13.873 342 1HH1 ARG 49 1HH1 ARG 49 112.217 5.150 13.816 343 2HH1 ARG 49 2HH1 ARG 49 111.560 4.506 15.282 344 1HH2 ARG 49 1HH2 ARG 49 114.167 2.236 15.802 345 2HH2 ARG 49 2HH2 ARG 49 112.666 2.853 16.410 346 H VAL 50 H VAL 50 114.756 3.694 7.507 347 HA VAL 50 HA VAL 50 115.749 1.200 8.665 348 HB VAL 50 HB VAL 50 114.725 1.597 5.857 349 1HG1 VAL 50 1HG1 VAL 50 116.095 -0.449 6.540 350 2HG1 VAL 50 2HG1 VAL 50 114.542 -0.728 5.751 351 3HG1 VAL 50 3HG1 VAL 50 114.689 -0.912 7.498 352 1HG2 VAL 50 1HG2 VAL 50 113.028 0.428 8.007 353 2HG2 VAL 50 2HG2 VAL 50 112.559 1.212 6.496 354 3HG2 VAL 50 3HG2 VAL 50 113.131 2.182 7.856 355 H PHE 51 H PHE 51 116.530 3.506 6.094 356 HA PHE 51 HA PHE 51 118.983 2.006 5.524 357 1HB PHE 51 1HB PHE 51 117.685 4.286 4.024 358 2HB PHE 51 2HB PHE 51 119.161 3.461 3.531 359 HD1 PHE 51 HD1 PHE 51 118.768 0.731 3.600 360 HD2 PHE 51 HD2 PHE 51 115.855 3.721 2.813 361 HE1 PHE 51 HE1 PHE 51 117.442 -0.900 2.314 362 HE2 PHE 51 HE2 PHE 51 114.519 2.090 1.526 363 HZ PHE 51 HZ PHE 51 115.323 -0.217 1.279 364 H ALA 52 H ALA 52 117.860 5.123 6.703 365 HA ALA 52 HA ALA 52 118.956 6.710 7.954 366 1HB ALA 52 1HB ALA 52 121.543 5.241 7.631 367 2HB ALA 52 2HB ALA 52 120.305 4.669 8.751 368 3HB ALA 52 3HB ALA 52 121.011 6.273 8.959 369 H MET 53 H MET 53 119.030 6.308 4.894 370 HA MET 53 HA MET 53 120.881 8.525 4.349 371 1HB MET 53 1HB MET 53 120.901 7.148 2.002 372 2HB MET 53 2HB MET 53 122.156 7.063 3.233 373 1HG MET 53 1HG MET 53 121.533 4.995 3.936 374 2HG MET 53 2HG MET 53 119.837 5.240 3.509 375 1HE MET 53 1HE MET 53 119.148 5.676 1.071 376 2HE MET 53 2HE MET 53 119.837 4.819 -0.308 377 3HE MET 53 3HE MET 53 120.576 6.313 0.254 378 H SER 54 H SER 54 120.379 9.687 2.378 379 HA SER 54 HA SER 54 117.635 10.399 2.325 380 1HB SER 54 1HB SER 54 120.024 11.196 0.665 381 2HB SER 54 2HB SER 54 118.413 11.879 0.400 382 HG SER 54 HG SER 54 118.525 12.400 2.744 383 HA PRO 55 HA PRO 55 115.895 7.639 -0.689 384 1HB PRO 55 1HB PRO 55 114.613 10.135 -1.710 385 2HB PRO 55 2HB PRO 55 113.876 8.579 -1.312 386 1HG PRO 55 1HG PRO 55 113.625 10.667 0.328 387 2HG PRO 55 2HG PRO 55 113.841 9.023 0.962 388 1HD PRO 55 1HD PRO 55 115.785 11.276 0.831 389 2HD PRO 55 2HD PRO 55 115.637 9.977 2.034 390 H GLU 56 H GLU 56 117.374 10.696 -1.501 391 HA GLU 56 HA GLU 56 117.755 10.051 -4.282 392 1HB GLU 56 1HB GLU 56 118.865 12.153 -4.454 393 2HB GLU 56 2HB GLU 56 117.508 12.396 -3.359 394 1HG GLU 56 1HG GLU 56 118.967 12.331 -1.450 395 2HG GLU 56 2HG GLU 56 120.345 11.922 -2.473 396 H GLU 57 H GLU 57 119.553 9.894 -1.282 397 HA GLU 57 HA GLU 57 122.121 9.458 -2.228 398 1HB GLU 57 1HB GLU 57 120.689 8.880 0.301 399 2HB GLU 57 2HB GLU 57 122.034 7.800 -0.041 400 1HG GLU 57 1HG GLU 57 123.348 9.981 -0.502 401 2HG GLU 57 2HG GLU 57 122.049 10.744 0.414 402 H PHE 58 H PHE 58 119.622 7.007 -1.502 403 HA PHE 58 HA PHE 58 120.887 4.673 -2.168 404 1HB PHE 58 1HB PHE 58 118.315 5.366 -1.629 405 2HB PHE 58 2HB PHE 58 118.176 4.988 -3.343 406 HD1 PHE 58 HD1 PHE 58 118.925 2.695 -4.124 407 HD2 PHE 58 HD2 PHE 58 118.363 3.675 -0.021 408 HE1 PHE 58 HE1 PHE 58 118.730 0.304 -3.579 409 HE2 PHE 58 HE2 PHE 58 118.177 1.291 0.531 410 HZ PHE 58 HZ PHE 58 118.359 -0.404 -1.247 411 H GLY 59 H GLY 59 118.922 6.488 -4.542 412 1HA GLY 59 1HA GLY 59 119.675 5.088 -6.802 413 2HA GLY 59 2HA GLY 59 119.178 6.774 -6.807 414 H LYS 60 H LYS 60 121.527 7.414 -5.017 415 HA LYS 60 HA LYS 60 123.470 7.652 -7.189 416 1HB LYS 60 1HB LYS 60 123.381 9.063 -4.517 417 2HB LYS 60 2HB LYS 60 124.504 9.404 -5.830 418 1HG LYS 60 1HG LYS 60 121.513 9.701 -6.024 419 2HG LYS 60 2HG LYS 60 122.637 11.017 -5.667 420 1HD LYS 60 1HD LYS 60 123.309 9.439 -8.051 421 2HD LYS 60 2HD LYS 60 121.790 10.329 -8.161 422 1HE LYS 60 1HE LYS 60 123.373 11.836 -8.970 423 2HE LYS 60 2HE LYS 60 123.137 12.336 -7.297 424 1HZ LYS 60 1HZ LYS 60 125.517 12.095 -8.226 425 2HZ LYS 60 2HZ LYS 60 125.285 10.440 -7.971 426 3HZ LYS 60 3HZ LYS 60 125.180 11.516 -6.671 427 H LEU 61 H LEU 61 122.920 5.516 -4.754 428 HA LEU 61 HA LEU 61 125.574 5.268 -3.730 429 1HB LEU 61 1HB LEU 61 123.119 3.517 -3.510 430 2HB LEU 61 2HB LEU 61 124.601 3.253 -2.619 431 HG LEU 61 HG LEU 61 122.617 5.453 -2.287 432 1HD1 LEU 61 1HD1 LEU 61 123.303 4.584 0.161 433 2HD1 LEU 61 2HD1 LEU 61 123.545 3.118 -0.786 434 3HD1 LEU 61 3HD1 LEU 61 121.977 3.920 -0.792 435 1HD2 LEU 61 1HD2 LEU 61 125.451 5.385 -1.270 436 2HD2 LEU 61 2HD2 LEU 61 124.199 6.478 -0.679 437 3HD2 LEU 61 3HD2 LEU 61 124.742 6.583 -2.353 438 H ALA 62 H ALA 62 125.305 2.271 -3.865 439 HA ALA 62 HA ALA 62 126.110 1.866 -6.658 440 1HB ALA 62 1HB ALA 62 127.441 0.490 -4.344 441 2HB ALA 62 2HB ALA 62 128.035 2.001 -5.032 442 3HB ALA 62 3HB ALA 62 127.963 0.546 -6.027 443 H LEU 63 H LEU 63 126.156 -0.488 -7.268 444 HA LEU 63 HA LEU 63 123.616 -1.636 -6.815 445 1HB LEU 63 1HB LEU 63 125.151 -1.868 -8.835 446 2HB LEU 63 2HB LEU 63 126.005 -3.090 -7.912 447 HG LEU 63 HG LEU 63 123.177 -3.642 -7.900 448 1HD1 LEU 63 1HD1 LEU 63 122.917 -2.563 -9.965 449 2HD1 LEU 63 2HD1 LEU 63 123.110 -4.271 -10.358 450 3HD1 LEU 63 3HD1 LEU 63 124.463 -3.160 -10.569 451 1HD2 LEU 63 1HD2 LEU 63 123.896 -5.776 -8.167 452 2HD2 LEU 63 2HD2 LEU 63 125.420 -5.057 -7.648 453 3HD2 LEU 63 3HD2 LEU 63 125.115 -5.334 -9.363 454 H TRP 64 H TRP 64 126.696 -2.087 -5.254 455 HA TRP 64 HA TRP 64 125.891 -4.528 -3.943 456 1HB TRP 64 1HB TRP 64 128.137 -4.207 -2.828 457 2HB TRP 64 2HB TRP 64 128.194 -4.354 -4.589 458 HD1 TRP 64 HD1 TRP 64 129.124 -2.290 -5.920 459 HE1 TRP 64 HE1 TRP 64 130.096 -0.019 -5.213 460 HE3 TRP 64 HE3 TRP 64 127.763 -2.406 -1.124 461 HZ2 TRP 64 HZ2 TRP 64 130.259 1.519 -2.798 462 HZ3 TRP 64 HZ3 TRP 64 128.364 -0.503 0.363 463 HH2 TRP 64 HH2 TRP 64 129.569 1.413 -0.472 464 H LYS 65 H LYS 65 126.203 -1.121 -3.385 465 HA LYS 65 HA LYS 65 125.726 -1.219 -0.563 466 1HB LYS 65 1HB LYS 65 126.809 0.715 -1.744 467 2HB LYS 65 2HB LYS 65 125.244 1.092 -2.453 468 1HG LYS 65 1HG LYS 65 125.635 2.529 -0.571 469 2HG LYS 65 2HG LYS 65 124.324 1.409 -0.190 470 1HD LYS 65 1HD LYS 65 125.452 0.993 1.696 471 2HD LYS 65 2HD LYS 65 126.545 0.050 0.679 472 1HE LYS 65 1HE LYS 65 127.900 2.109 0.335 473 2HE LYS 65 2HE LYS 65 126.856 2.936 1.498 474 1HZ LYS 65 1HZ LYS 65 129.037 1.935 2.332 475 2HZ LYS 65 2HZ LYS 65 128.258 0.437 2.216 476 3HZ LYS 65 3HZ LYS 65 127.639 1.636 3.237 477 H ARG 66 H ARG 66 123.702 -0.150 -3.303 478 HA ARG 66 HA ARG 66 121.281 0.169 -2.058 479 1HB ARG 66 1HB ARG 66 121.863 -1.024 -4.770 480 2HB ARG 66 2HB ARG 66 120.256 -0.553 -4.237 481 1HG ARG 66 1HG ARG 66 121.153 1.752 -3.878 482 2HG ARG 66 2HG ARG 66 122.638 1.214 -4.664 483 1HD ARG 66 1HD ARG 66 120.184 0.594 -6.145 484 2HD ARG 66 2HD ARG 66 120.503 2.323 -5.943 485 HE ARG 66 HE ARG 66 122.880 1.359 -6.786 486 1HH1 ARG 66 1HH1 ARG 66 119.626 1.046 -8.006 487 2HH1 ARG 66 2HH1 ARG 66 120.125 0.897 -9.658 488 1HH2 ARG 66 1HH2 ARG 66 123.539 1.163 -8.958 489 2HH2 ARG 66 2HH2 ARG 66 122.347 0.962 -10.198 490 H ASN 67 H ASN 67 122.724 -2.791 -3.276 491 HA ASN 67 HA ASN 67 120.620 -4.551 -2.666 492 1HB ASN 67 1HB ASN 67 123.494 -4.791 -3.287 493 2HB ASN 67 2HB ASN 67 122.839 -6.117 -2.324 494 1HD2 ASN 67 1HD2 ASN 67 122.221 -4.220 -5.247 495 2HD2 ASN 67 2HD2 ASN 67 121.531 -5.518 -6.154 496 H GLU 68 H GLU 68 123.645 -4.143 -0.828 497 HA GLU 68 HA GLU 68 123.036 -5.519 1.435 498 1HB GLU 68 1HB GLU 68 124.810 -3.251 0.803 499 2HB GLU 68 2HB GLU 68 124.424 -3.443 2.507 500 1HG GLU 68 1HG GLU 68 125.668 -5.504 0.702 501 2HG GLU 68 2HG GLU 68 126.467 -4.602 1.989 502 H LEU 69 H LEU 69 122.126 -2.161 0.704 503 HA LEU 69 HA LEU 69 120.972 -1.564 3.195 504 1HB LEU 69 1HB LEU 69 120.010 -0.513 0.546 505 2HB LEU 69 2HB LEU 69 119.860 0.246 2.117 506 HG LEU 69 HG LEU 69 122.561 -0.309 1.079 507 1HD1 LEU 69 1HD1 LEU 69 121.679 2.328 0.369 508 2HD1 LEU 69 2HD1 LEU 69 120.708 1.099 -0.432 509 3HD1 LEU 69 3HD1 LEU 69 122.459 1.103 -0.627 510 1HD2 LEU 69 1HD2 LEU 69 123.012 1.828 2.281 511 2HD2 LEU 69 2HD2 LEU 69 122.411 0.528 3.311 512 3HD2 LEU 69 3HD2 LEU 69 121.326 1.821 2.801 513 H LYS 70 H LYS 70 119.321 -2.352 0.170 514 HA LYS 70 HA LYS 70 116.779 -2.864 1.244 515 1HB LYS 70 1HB LYS 70 118.231 -3.640 -1.242 516 2HB LYS 70 2HB LYS 70 116.749 -4.500 -0.854 517 1HG LYS 70 1HG LYS 70 115.433 -2.620 -1.105 518 2HG LYS 70 2HG LYS 70 116.786 -1.516 -0.838 519 1HD LYS 70 1HD LYS 70 116.340 -1.370 -3.138 520 2HD LYS 70 2HD LYS 70 117.740 -2.438 -3.020 521 1HE LYS 70 1HE LYS 70 116.502 -4.331 -3.527 522 2HE LYS 70 2HE LYS 70 114.978 -3.582 -3.052 523 1HZ LYS 70 1HZ LYS 70 115.548 -2.012 -5.047 524 2HZ LYS 70 2HZ LYS 70 114.802 -3.508 -5.309 525 3HZ LYS 70 3HZ LYS 70 116.466 -3.337 -5.564 526 H LYS 71 H LYS 71 119.696 -4.680 1.291 527 HA LYS 71 HA LYS 71 118.466 -7.207 1.919 528 1HB LYS 71 1HB LYS 71 121.296 -6.203 1.665 529 2HB LYS 71 2HB LYS 71 120.952 -7.808 2.319 530 1HG LYS 71 1HG LYS 71 119.985 -8.526 0.290 531 2HG LYS 71 2HG LYS 71 119.907 -6.876 -0.335 532 1HD LYS 71 1HD LYS 71 121.743 -7.810 -1.440 533 2HD LYS 71 2HD LYS 71 122.469 -6.892 -0.119 534 1HE LYS 71 1HE LYS 71 123.556 -9.021 -0.236 535 2HE LYS 71 2HE LYS 71 122.548 -8.994 1.211 536 1HZ LYS 71 1HZ LYS 71 122.396 -11.082 -0.079 537 2HZ LYS 71 2HZ LYS 71 121.725 -10.215 -1.367 538 3HZ LYS 71 3HZ LYS 71 120.904 -10.306 0.109 539 H LYS 72 H LYS 72 119.840 -4.518 3.645 540 HA LYS 72 HA LYS 72 119.768 -5.968 6.171 541 1HB LYS 72 1HB LYS 72 121.769 -4.675 5.849 542 2HB LYS 72 2HB LYS 72 120.839 -3.249 5.414 543 1HG LYS 72 1HG LYS 72 120.010 -4.074 8.000 544 2HG LYS 72 2HG LYS 72 121.776 -4.049 7.967 545 1HD LYS 72 1HD LYS 72 121.176 -1.877 8.607 546 2HD LYS 72 2HD LYS 72 121.541 -1.740 6.886 547 1HE LYS 72 1HE LYS 72 118.738 -2.365 7.546 548 2HE LYS 72 2HE LYS 72 119.297 -0.772 8.050 549 1HZ LYS 72 1HZ LYS 72 118.436 -1.478 5.551 550 2HZ LYS 72 2HZ LYS 72 120.117 -1.391 5.388 551 3HZ LYS 72 3HZ LYS 72 119.254 -0.055 5.963 552 H ALA 73 H ALA 73 118.096 -3.646 4.298 553 HA ALA 73 HA ALA 73 116.540 -2.497 6.409 554 1HB ALA 73 1HB ALA 73 116.722 -2.260 3.467 555 2HB ALA 73 2HB ALA 73 116.690 -1.004 4.704 556 3HB ALA 73 3HB ALA 73 115.195 -1.802 4.218 557 H GLU 74 H GLU 74 116.490 -5.535 5.205 558 HA GLU 74 HA GLU 74 114.977 -7.230 5.400 559 1HB GLU 74 1HB GLU 74 112.934 -5.219 6.336 560 2HB GLU 74 2HB GLU 74 112.967 -6.943 6.652 561 1HG GLU 74 1HG GLU 74 115.171 -5.184 7.635 562 2HG GLU 74 2HG GLU 74 113.650 -5.306 8.518 563 H LEU 75 H LEU 75 115.029 -4.970 3.194 564 HA LEU 75 HA LEU 75 112.810 -6.135 1.713 565 1HB LEU 75 1HB LEU 75 112.863 -3.548 0.758 566 2HB LEU 75 2HB LEU 75 111.631 -4.259 1.792 567 HG LEU 75 HG LEU 75 113.578 -3.423 3.554 568 1HD1 LEU 75 1HD1 LEU 75 113.384 -1.513 1.251 569 2HD1 LEU 75 2HD1 LEU 75 114.832 -2.135 2.045 570 3HD1 LEU 75 3HD1 LEU 75 113.794 -0.978 2.884 571 1HD2 LEU 75 1HD2 LEU 75 111.852 -1.413 3.710 572 2HD2 LEU 75 2HD2 LEU 75 111.452 -3.042 4.252 573 3HD2 LEU 75 3HD2 LEU 75 110.916 -2.485 2.666 574 H PHE 76 H PHE 76 114.722 -7.364 0.925 575 HA PHE 76 HA PHE 76 115.833 -5.971 -1.423 576 1HB PHE 76 1HB PHE 76 117.832 -6.259 -0.381 577 2HB PHE 76 2HB PHE 76 117.223 -7.550 0.657 578 HD1 PHE 76 HD1 PHE 76 117.487 -9.839 0.048 579 HD2 PHE 76 HD2 PHE 76 118.625 -6.751 -2.649 580 HE1 PHE 76 HE1 PHE 76 118.666 -11.492 -1.340 581 HE2 PHE 76 HE2 PHE 76 119.806 -8.398 -4.044 582 HZ PHE 76 HZ PHE 76 119.828 -10.772 -3.390 Start of MODEL 3 1 HT1 PRO 9 HT1 PRO 9 105.089 10.036 -11.772 2 HT2 PRO 9 HT2 PRO 9 104.015 9.719 -10.566 3 HA PRO 9 HA PRO 9 106.000 11.389 -10.539 4 1HB PRO 9 1HB PRO 9 103.882 13.339 -10.193 5 2HB PRO 9 2HB PRO 9 105.348 13.444 -11.178 6 1HG PRO 9 1HG PRO 9 102.852 13.211 -12.242 7 2HG PRO 9 2HG PRO 9 104.316 12.609 -13.041 8 1HD PRO 9 1HD PRO 9 102.272 11.098 -11.440 9 2HD PRO 9 2HD PRO 9 103.052 10.652 -12.970 10 H GLY 10 H GLY 10 106.452 10.795 -8.513 11 1HA GLY 10 1HA GLY 10 106.278 10.566 -6.234 12 2HA GLY 10 2HA GLY 10 104.940 11.704 -6.309 13 H LEU 11 H LEU 11 105.547 9.073 -4.905 14 HA LEU 11 HA LEU 11 103.035 7.722 -5.622 15 1HB LEU 11 1HB LEU 11 104.369 5.811 -4.267 16 2HB LEU 11 2HB LEU 11 104.368 5.961 -6.012 17 HG LEU 11 HG LEU 11 106.609 5.541 -5.055 18 1HD1 LEU 11 1HD1 LEU 11 107.587 6.714 -6.687 19 2HD1 LEU 11 2HD1 LEU 11 106.950 8.253 -6.107 20 3HD1 LEU 11 3HD1 LEU 11 105.940 7.196 -7.093 21 1HD2 LEU 11 1HD2 LEU 11 107.492 7.927 -4.084 22 2HD2 LEU 11 2HD2 LEU 11 107.018 6.544 -3.098 23 3HD2 LEU 11 3HD2 LEU 11 105.866 7.842 -3.407 24 H GLN 12 H GLN 12 102.035 6.523 -3.799 25 HA GLN 12 HA GLN 12 101.773 8.276 -1.539 26 1HB GLN 12 1HB GLN 12 100.340 6.054 -0.825 27 2HB GLN 12 2HB GLN 12 99.702 7.415 -1.732 28 1HG GLN 12 1HG GLN 12 100.983 5.181 -3.220 29 2HG GLN 12 2HG GLN 12 99.375 4.945 -2.542 30 1HE2 GLN 12 1HE2 GLN 12 98.099 7.226 -2.905 31 2HE2 GLN 12 2HE2 GLN 12 98.015 7.657 -4.575 32 H ILE 13 H ILE 13 102.475 8.016 0.511 33 HA ILE 13 HA ILE 13 104.503 5.958 0.943 34 HB ILE 13 HB ILE 13 103.884 8.233 2.806 35 1HG1 ILE 13 1HG1 ILE 13 104.312 9.018 0.428 36 2HG1 ILE 13 2HG1 ILE 13 105.415 9.641 1.654 37 1HG2 ILE 13 1HG2 ILE 13 106.329 6.547 2.311 38 2HG2 ILE 13 2HG2 ILE 13 105.296 6.536 3.741 39 3HG2 ILE 13 3HG2 ILE 13 106.285 7.952 3.376 40 1HD1 ILE 13 1HD1 ILE 13 107.060 7.931 0.987 41 2HD1 ILE 13 2HD1 ILE 13 106.648 9.047 -0.315 42 3HD1 ILE 13 3HD1 ILE 13 105.966 7.421 -0.299 43 H TYR 14 H TYR 14 104.420 4.466 2.602 44 HA TYR 14 HA TYR 14 102.105 4.490 4.395 45 1HB TYR 14 1HB TYR 14 102.772 1.823 3.335 46 2HB TYR 14 2HB TYR 14 101.202 2.554 3.651 47 HD1 TYR 14 HD1 TYR 14 103.969 2.391 1.211 48 HD2 TYR 14 HD2 TYR 14 99.902 3.448 1.877 49 HE1 TYR 14 HE1 TYR 14 103.656 2.671 -1.207 50 HE2 TYR 14 HE2 TYR 14 99.577 3.734 -0.547 51 HH TYR 14 HH TYR 14 102.227 3.696 -2.776 52 HA PRO 15 HA PRO 15 104.603 2.744 7.625 53 1HB PRO 15 1HB PRO 15 103.421 0.029 7.270 54 2HB PRO 15 2HB PRO 15 103.564 1.012 8.735 55 1HG PRO 15 1HG PRO 15 101.220 0.750 7.493 56 2HG PRO 15 2HG PRO 15 101.705 2.296 8.214 57 1HD PRO 15 1HD PRO 15 101.651 1.473 5.346 58 2HD PRO 15 2HD PRO 15 101.310 3.057 6.076 59 H TYR 16 H TYR 16 106.312 1.034 8.092 60 HA TYR 16 HA TYR 16 107.767 0.532 5.654 61 1HB TYR 16 1HB TYR 16 109.160 1.354 7.306 62 2HB TYR 16 2HB TYR 16 108.364 0.437 8.581 63 HD1 TYR 16 HD1 TYR 16 110.126 -0.414 5.396 64 HD2 TYR 16 HD2 TYR 16 109.714 -1.082 9.563 65 HE1 TYR 16 HE1 TYR 16 111.920 -2.097 5.276 66 HE2 TYR 16 HE2 TYR 16 111.507 -2.773 9.480 67 HH TYR 16 HH TYR 16 112.758 -3.975 6.511 68 H GLU 17 H GLU 17 106.918 -1.505 8.466 69 HA GLU 17 HA GLU 17 107.606 -3.968 7.479 70 1HB GLU 17 1HB GLU 17 105.195 -3.312 9.181 71 2HB GLU 17 2HB GLU 17 105.894 -4.913 8.987 72 1HG GLU 17 1HG GLU 17 107.943 -4.190 10.040 73 2HG GLU 17 2HG GLU 17 107.329 -2.537 10.151 74 H MET 18 H MET 18 104.712 -2.109 6.747 75 HA MET 18 HA MET 18 103.316 -4.192 5.422 76 1HB MET 18 1HB MET 18 102.990 -1.312 5.839 77 2HB MET 18 2HB MET 18 102.365 -1.871 4.293 78 1HG MET 18 1HG MET 18 101.440 -3.744 6.109 79 2HG MET 18 2HG MET 18 101.295 -2.203 6.959 80 1HE MET 18 1HE MET 18 100.562 -0.146 5.788 81 2HE MET 18 2HE MET 18 98.956 -0.103 5.060 82 3HE MET 18 3HE MET 18 100.385 -0.216 4.034 83 H LEU 19 H LEU 19 105.955 -2.206 4.475 84 HA LEU 19 HA LEU 19 105.511 -2.847 1.639 85 1HB LEU 19 1HB LEU 19 107.606 -0.967 2.669 86 2HB LEU 19 2HB LEU 19 106.888 -1.041 1.068 87 HG LEU 19 HG LEU 19 105.298 -0.267 3.495 88 1HD1 LEU 19 1HD1 LEU 19 106.614 1.640 1.576 89 2HD1 LEU 19 2HD1 LEU 19 107.292 1.226 3.150 90 3HD1 LEU 19 3HD1 LEU 19 105.724 2.026 3.048 91 1HD2 LEU 19 1HD2 LEU 19 104.778 0.642 0.718 92 2HD2 LEU 19 2HD2 LEU 19 103.649 0.337 2.037 93 3HD2 LEU 19 3HD2 LEU 19 104.366 -1.014 1.158 94 H VAL 20 H VAL 20 106.914 -4.345 4.100 95 HA VAL 20 HA VAL 20 109.578 -4.763 3.249 96 HB VAL 20 HB VAL 20 107.960 -6.823 4.736 97 1HG1 VAL 20 1HG1 VAL 20 110.861 -6.090 4.582 98 2HG1 VAL 20 2HG1 VAL 20 110.101 -7.648 4.246 99 3HG1 VAL 20 3HG1 VAL 20 110.210 -7.055 5.904 100 1HG2 VAL 20 1HG2 VAL 20 108.082 -4.218 5.544 101 2HG2 VAL 20 2HG2 VAL 20 109.448 -4.946 6.385 102 3HG2 VAL 20 3HG2 VAL 20 107.828 -5.615 6.589 103 H VAL 21 H VAL 21 110.386 -6.944 2.417 104 HA VAL 21 HA VAL 21 108.664 -7.677 0.163 105 HB VAL 21 HB VAL 21 111.615 -8.124 0.590 106 1HG1 VAL 21 1HG1 VAL 21 109.751 -8.973 -1.585 107 2HG1 VAL 21 2HG1 VAL 21 111.066 -9.867 -0.823 108 3HG1 VAL 21 3HG1 VAL 21 111.426 -8.577 -1.971 109 1HG2 VAL 21 1HG2 VAL 21 111.989 -6.355 -0.915 110 2HG2 VAL 21 2HG2 VAL 21 110.758 -5.766 0.202 111 3HG2 VAL 21 3HG2 VAL 21 110.298 -6.317 -1.412 112 H THR 22 H THR 22 111.062 -9.498 2.112 113 HA THR 22 HA THR 22 109.324 -11.846 1.822 114 HB THR 22 HB THR 22 112.258 -11.669 2.513 115 HG1 THR 22 HG1 THR 22 112.150 -11.319 0.396 116 1HG2 THR 22 1HG2 THR 22 112.210 -13.782 3.141 117 2HG2 THR 22 2HG2 THR 22 111.525 -14.234 1.581 118 3HG2 THR 22 3HG2 THR 22 110.460 -13.818 2.923 119 H ASN 23 H ASN 23 111.637 -10.687 4.228 120 HA ASN 23 HA ASN 23 111.084 -12.073 6.416 121 1HB ASN 23 1HB ASN 23 111.341 -9.065 6.471 122 2HB ASN 23 2HB ASN 23 111.746 -10.183 7.774 123 1HD2 ASN 23 1HD2 ASN 23 112.634 -9.060 4.575 124 2HD2 ASN 23 2HD2 ASN 23 114.265 -9.631 4.622 125 H LYS 24 H LYS 24 108.984 -9.441 5.282 126 HA LYS 24 HA LYS 24 107.044 -10.256 7.346 127 1HB LYS 24 1HB LYS 24 107.958 -7.622 6.458 128 2HB LYS 24 2HB LYS 24 106.205 -7.766 6.548 129 1HG LYS 24 1HG LYS 24 107.041 -6.917 8.627 130 2HG LYS 24 2HG LYS 24 106.437 -8.555 8.880 131 1HD LYS 24 1HD LYS 24 108.535 -8.272 10.048 132 2HD LYS 24 2HD LYS 24 108.750 -9.401 8.708 133 1HE LYS 24 1HE LYS 24 110.174 -8.037 7.628 134 2HE LYS 24 2HE LYS 24 109.252 -6.590 8.032 135 1HZ LYS 24 1HZ LYS 24 111.424 -7.885 9.506 136 2HZ LYS 24 2HZ LYS 24 110.219 -7.106 10.402 137 3HZ LYS 24 3HZ LYS 24 111.117 -6.239 9.260 138 H GLY 25 H GLY 25 107.382 -11.362 4.615 139 1HA GLY 25 1HA GLY 25 104.971 -12.089 3.844 140 2HA GLY 25 2HA GLY 25 104.955 -10.429 3.270 141 H ARG 26 H ARG 26 104.926 -10.752 1.110 142 HA ARG 26 HA ARG 26 107.362 -11.729 -0.098 143 1HB ARG 26 1HB ARG 26 106.576 -13.642 -0.927 144 2HB ARG 26 2HB ARG 26 105.210 -13.457 0.151 145 1HG ARG 26 1HG ARG 26 105.147 -12.225 -2.576 146 2HG ARG 26 2HG ARG 26 104.809 -13.939 -2.354 147 1HD ARG 26 1HD ARG 26 103.317 -12.657 -0.384 148 2HD ARG 26 2HD ARG 26 103.130 -11.649 -1.816 149 HE ARG 26 HE ARG 26 102.755 -14.460 -2.306 150 1HH1 ARG 26 1HH1 ARG 26 101.213 -11.487 -1.328 151 2HH1 ARG 26 2HH1 ARG 26 99.633 -11.999 -1.813 152 1HH2 ARG 26 1HH2 ARG 26 100.676 -15.139 -2.945 153 2HH2 ARG 26 2HH2 ARG 26 99.326 -14.074 -2.731 154 H THR 27 H THR 27 104.097 -10.470 -0.667 155 HA THR 27 HA THR 27 105.093 -8.292 -2.193 156 HB THR 27 HB THR 27 104.111 -10.736 -3.479 157 HG1 THR 27 HG1 THR 27 105.922 -10.322 -4.416 158 1HG2 THR 27 1HG2 THR 27 102.201 -9.389 -3.987 159 2HG2 THR 27 2HG2 THR 27 103.187 -9.606 -5.436 160 3HG2 THR 27 3HG2 THR 27 103.234 -8.074 -4.556 161 H LYS 28 H LYS 28 103.299 -9.101 0.071 162 HA LYS 28 HA LYS 28 100.631 -8.391 -0.577 163 1HB LYS 28 1HB LYS 28 102.064 -8.411 2.065 164 2HB LYS 28 2HB LYS 28 100.321 -8.278 1.865 165 1HG LYS 28 1HG LYS 28 100.693 -10.522 2.392 166 2HG LYS 28 2HG LYS 28 100.448 -10.503 0.643 167 1HD LYS 28 1HD LYS 28 102.650 -10.951 0.193 168 2HD LYS 28 2HD LYS 28 103.216 -10.236 1.703 169 1HE LYS 28 1HE LYS 28 103.413 -12.733 1.583 170 2HE LYS 28 2HE LYS 28 102.499 -12.127 2.963 171 1HZ LYS 28 1HZ LYS 28 101.603 -14.082 1.493 172 2HZ LYS 28 2HZ LYS 28 101.030 -12.819 0.525 173 3HZ LYS 28 3HZ LYS 28 100.548 -12.929 2.143 174 H LEU 29 H LEU 29 102.753 -6.432 -1.325 175 HA LEU 29 HA LEU 29 102.795 -4.186 0.237 176 1HB LEU 29 1HB LEU 29 103.328 -4.925 -2.530 177 2HB LEU 29 2HB LEU 29 102.876 -3.245 -2.337 178 HG LEU 29 HG LEU 29 104.736 -2.752 -1.097 179 1HD1 LEU 29 1HD1 LEU 29 106.254 -4.593 -0.174 180 2HD1 LEU 29 2HD1 LEU 29 104.895 -5.679 -0.463 181 3HD1 LEU 29 3HD1 LEU 29 104.718 -4.322 0.650 182 1HD2 LEU 29 1HD2 LEU 29 106.535 -4.440 -2.305 183 2HD2 LEU 29 2HD2 LEU 29 105.931 -2.911 -2.938 184 3HD2 LEU 29 3HD2 LEU 29 105.154 -4.427 -3.401 185 HA PRO 30 HA PRO 30 98.815 -2.292 0.007 186 1HB PRO 30 1HB PRO 30 100.222 0.290 -0.209 187 2HB PRO 30 2HB PRO 30 99.128 -0.289 1.053 188 1HG PRO 30 1HG PRO 30 101.790 -0.028 1.439 189 2HG PRO 30 2HG PRO 30 100.819 -1.271 2.253 190 1HD PRO 30 1HD PRO 30 102.703 -1.539 -0.046 191 2HD PRO 30 2HD PRO 30 102.333 -2.679 1.261 192 HA PRO 31 HA PRO 31 97.938 -0.927 -4.114 193 1HB PRO 31 1HB PRO 31 96.885 1.708 -3.395 194 2HB PRO 31 2HB PRO 31 96.025 0.289 -4.004 195 1HG PRO 31 1HG PRO 31 95.745 1.172 -1.465 196 2HG PRO 31 2HG PRO 31 95.635 -0.544 -1.896 197 1HD PRO 31 1HD PRO 31 97.925 0.965 -0.688 198 2HD PRO 31 2HD PRO 31 97.308 -0.655 -0.291 199 H GLY 32 H GLY 32 99.771 -0.559 -5.276 200 1HA GLY 32 1HA GLY 32 100.903 1.031 -6.662 201 2HA GLY 32 2HA GLY 32 100.705 2.227 -5.392 202 H VAL 33 H VAL 33 101.679 -0.711 -4.070 203 HA VAL 33 HA VAL 33 104.471 0.210 -3.983 204 HB VAL 33 HB VAL 33 103.549 -1.734 -1.987 205 1HG1 VAL 33 1HG1 VAL 33 105.012 0.739 -1.327 206 2HG1 VAL 33 2HG1 VAL 33 105.832 -0.415 -2.377 207 3HG1 VAL 33 3HG1 VAL 33 105.280 -0.915 -0.778 208 1HG2 VAL 33 1HG2 VAL 33 102.846 0.367 -0.609 209 2HG2 VAL 33 2HG2 VAL 33 101.686 -0.437 -1.664 210 3HG2 VAL 33 3HG2 VAL 33 102.492 1.037 -2.200 211 H ASP 34 H ASP 34 105.968 -0.946 -4.877 212 HA ASP 34 HA ASP 34 105.652 -3.835 -5.161 213 1HB ASP 34 1HB ASP 34 104.838 -2.645 -7.262 214 2HB ASP 34 2HB ASP 34 106.509 -2.133 -7.502 215 H ARG 35 H ARG 35 107.608 -4.968 -5.325 216 HA ARG 35 HA ARG 35 109.756 -4.043 -3.883 217 1HB ARG 35 1HB ARG 35 109.612 -6.167 -6.015 218 2HB ARG 35 2HB ARG 35 111.070 -5.870 -5.078 219 1HG ARG 35 1HG ARG 35 110.235 -7.420 -3.700 220 2HG ARG 35 2HG ARG 35 109.219 -6.102 -3.106 221 1HD ARG 35 1HD ARG 35 107.954 -8.171 -3.637 222 2HD ARG 35 2HD ARG 35 107.422 -6.761 -4.550 223 HE ARG 35 HE ARG 35 109.355 -8.517 -5.837 224 1HH1 ARG 35 1HH1 ARG 35 106.017 -7.524 -5.520 225 2HH1 ARG 35 2HH1 ARG 35 105.544 -8.208 -7.038 226 1HH2 ARG 35 1HH2 ARG 35 108.726 -9.417 -7.826 227 2HH2 ARG 35 2HH2 ARG 35 107.080 -9.283 -8.345 228 H MET 36 H MET 36 109.017 -3.450 -7.220 229 HA MET 36 HA MET 36 111.508 -2.837 -8.266 230 1HB MET 36 1HB MET 36 108.725 -1.935 -8.851 231 2HB MET 36 2HB MET 36 110.056 -1.069 -9.606 232 1HG MET 36 1HG MET 36 110.777 -3.615 -10.124 233 2HG MET 36 2HG MET 36 109.017 -3.769 -10.117 234 1HE MET 36 1HE MET 36 108.127 -3.890 -12.762 235 2HE MET 36 2HE MET 36 109.648 -4.720 -12.435 236 3HE MET 36 3HE MET 36 109.485 -3.716 -13.875 237 H ARG 37 H ARG 37 109.317 -0.786 -6.381 238 HA ARG 37 HA ARG 37 111.574 1.030 -5.895 239 1HB ARG 37 1HB ARG 37 109.730 2.883 -5.893 240 2HB ARG 37 2HB ARG 37 110.455 2.365 -7.406 241 1HG ARG 37 1HG ARG 37 108.061 0.866 -6.608 242 2HG ARG 37 2HG ARG 37 107.795 2.574 -6.965 243 1HD ARG 37 1HD ARG 37 109.436 0.945 -8.844 244 2HD ARG 37 2HD ARG 37 107.683 0.754 -8.861 245 HE ARG 37 HE ARG 37 109.148 2.897 -9.967 246 1HH1 ARG 37 1HH1 ARG 37 106.222 2.249 -8.179 247 2HH1 ARG 37 2HH1 ARG 37 105.385 3.627 -8.807 248 1HH2 ARG 37 1HH2 ARG 37 108.049 4.712 -10.792 249 2HH2 ARG 37 2HH2 ARG 37 106.422 5.027 -10.290 250 H LEU 38 H LEU 38 110.465 -1.087 -4.267 251 HA LEU 38 HA LEU 38 108.690 -0.261 -2.319 252 1HB LEU 38 1HB LEU 38 110.740 -2.332 -2.591 253 2HB LEU 38 2HB LEU 38 110.432 -1.854 -0.926 254 HG LEU 38 HG LEU 38 108.352 -2.826 -2.886 255 1HD1 LEU 38 1HD1 LEU 38 108.335 -4.856 -1.707 256 2HD1 LEU 38 2HD1 LEU 38 109.307 -4.197 -0.391 257 3HD1 LEU 38 3HD1 LEU 38 110.040 -4.490 -1.967 258 1HD2 LEU 38 1HD2 LEU 38 107.283 -1.318 -1.452 259 2HD2 LEU 38 2HD2 LEU 38 108.206 -1.855 -0.055 260 3HD2 LEU 38 3HD2 LEU 38 106.974 -2.904 -0.752 261 H GLU 39 H GLU 39 112.210 0.168 -2.429 262 HA GLU 39 HA GLU 39 112.355 1.470 0.092 263 1HB GLU 39 1HB GLU 39 114.635 1.744 -0.313 264 2HB GLU 39 2HB GLU 39 114.233 0.261 -1.166 265 1HG GLU 39 1HG GLU 39 114.521 2.982 -2.418 266 2HG GLU 39 2HG GLU 39 115.726 1.697 -2.456 267 H ARG 40 H ARG 40 110.678 2.534 -2.389 268 HA ARG 40 HA ARG 40 111.532 5.333 -2.058 269 1HB ARG 40 1HB ARG 40 111.465 3.977 -4.409 270 2HB ARG 40 2HB ARG 40 109.838 4.641 -4.375 271 1HG ARG 40 1HG ARG 40 111.060 6.874 -3.823 272 2HG ARG 40 2HG ARG 40 112.457 6.054 -4.522 273 1HD ARG 40 1HD ARG 40 110.007 5.798 -6.102 274 2HD ARG 40 2HD ARG 40 110.577 7.458 -5.927 275 HE ARG 40 HE ARG 40 111.744 5.413 -7.520 276 1HH1 ARG 40 1HH1 ARG 40 112.537 8.186 -5.555 277 2HH1 ARG 40 2HH1 ARG 40 114.004 8.528 -6.409 278 1HH2 ARG 40 1HH2 ARG 40 113.672 5.863 -8.645 279 2HH2 ARG 40 2HH2 ARG 40 114.648 7.211 -8.165 280 H HIS 41 H HIS 41 109.272 3.072 -1.282 281 HA HIS 41 HA HIS 41 106.991 4.882 -1.282 282 1HB HIS 41 1HB HIS 41 107.378 1.932 -0.925 283 2HB HIS 41 2HB HIS 41 105.902 2.701 -0.363 284 HD1 HIS 41 HD1 HIS 41 104.996 4.465 -2.496 285 HD2 HIS 41 HD2 HIS 41 106.940 0.899 -3.368 286 HE1 HIS 41 HE1 HIS 41 104.365 3.918 -4.868 287 HE2 HIS 41 HE2 HIS 41 105.486 1.713 -5.346 288 H LEU 42 H LEU 42 109.537 4.147 0.727 289 HA LEU 42 HA LEU 42 108.113 4.184 3.224 290 1HB LEU 42 1HB LEU 42 111.039 4.309 2.508 291 2HB LEU 42 2HB LEU 42 110.434 4.278 4.158 292 HG LEU 42 HG LEU 42 109.276 2.093 2.726 293 1HD1 LEU 42 1HD1 LEU 42 112.050 2.666 2.026 294 2HD1 LEU 42 2HD1 LEU 42 110.887 1.576 1.272 295 3HD1 LEU 42 3HD1 LEU 42 111.801 1.047 2.688 296 1HD2 LEU 42 1HD2 LEU 42 109.409 1.609 4.894 297 2HD2 LEU 42 2HD2 LEU 42 110.810 2.649 5.143 298 3HD2 LEU 42 3HD2 LEU 42 111.023 1.027 4.493 299 H SER 43 H SER 43 108.073 5.861 4.689 300 HA SER 43 HA SER 43 108.186 8.497 3.580 301 1HB SER 43 1HB SER 43 107.272 9.245 5.647 302 2HB SER 43 2HB SER 43 106.524 7.677 5.324 303 HG SER 43 HG SER 43 108.419 8.393 7.251 304 H ALA 44 H ALA 44 109.374 10.281 4.611 305 HA ALA 44 HA ALA 44 112.096 9.955 4.526 306 1HB ALA 44 1HB ALA 44 111.015 12.139 4.433 307 2HB ALA 44 2HB ALA 44 112.286 12.119 5.657 308 3HB ALA 44 3HB ALA 44 110.593 12.014 6.141 309 H GLU 45 H GLU 45 109.980 9.621 7.317 310 HA GLU 45 HA GLU 45 112.105 9.312 9.212 311 1HB GLU 45 1HB GLU 45 109.573 7.988 9.894 312 2HB GLU 45 2HB GLU 45 110.477 9.202 10.778 313 1HG GLU 45 1HG GLU 45 109.514 10.747 8.839 314 2HG GLU 45 2HG GLU 45 108.264 9.502 8.854 315 H ASP 46 H ASP 46 109.887 7.119 7.569 316 HA ASP 46 HA ASP 46 110.847 4.720 8.583 317 1HB ASP 46 1HB ASP 46 109.604 5.305 5.889 318 2HB ASP 46 2HB ASP 46 109.852 3.686 6.542 319 H PHE 47 H PHE 47 111.638 6.194 5.410 320 HA PHE 47 HA PHE 47 113.568 4.417 4.597 321 1HB PHE 47 1HB PHE 47 112.565 6.476 3.394 322 2HB PHE 47 2HB PHE 47 113.895 7.368 4.137 323 HD1 PHE 47 HD1 PHE 47 113.170 4.409 2.030 324 HD2 PHE 47 HD2 PHE 47 115.968 7.412 3.125 325 HE1 PHE 47 HE1 PHE 47 114.675 3.672 0.214 326 HE2 PHE 47 HE2 PHE 47 117.472 6.690 1.315 327 HZ PHE 47 HZ PHE 47 116.819 4.820 -0.146 328 H SER 48 H SER 48 114.131 7.450 6.380 329 HA SER 48 HA SER 48 116.893 7.033 6.736 330 1HB SER 48 1HB SER 48 115.740 9.237 6.952 331 2HB SER 48 2HB SER 48 115.047 8.685 8.476 332 HG SER 48 HG SER 48 117.835 8.708 7.987 333 H ARG 49 H ARG 49 114.233 5.507 8.187 334 HA ARG 49 HA ARG 49 115.650 4.889 10.656 335 1HB ARG 49 1HB ARG 49 113.240 5.442 10.724 336 2HB ARG 49 2HB ARG 49 112.904 4.027 9.737 337 1HG ARG 49 1HG ARG 49 112.446 3.265 11.859 338 2HG ARG 49 2HG ARG 49 114.111 2.729 11.625 339 1HD ARG 49 1HD ARG 49 114.906 4.712 12.835 340 2HD ARG 49 2HD ARG 49 113.233 5.219 13.087 341 HE ARG 49 HE ARG 49 114.667 3.187 14.526 342 1HH1 ARG 49 1HH1 ARG 49 111.509 4.316 13.565 343 2HH1 ARG 49 2HH1 ARG 49 110.692 3.537 14.878 344 1HH2 ARG 49 1HH2 ARG 49 113.595 2.161 16.256 345 2HH2 ARG 49 2HH2 ARG 49 111.877 2.315 16.406 346 H VAL 50 H VAL 50 114.579 3.318 7.687 347 HA VAL 50 HA VAL 50 115.526 0.725 8.603 348 HB VAL 50 HB VAL 50 114.557 1.373 5.825 349 1HG1 VAL 50 1HG1 VAL 50 114.227 -0.911 5.569 350 2HG1 VAL 50 2HG1 VAL 50 114.248 -1.209 7.308 351 3HG1 VAL 50 3HG1 VAL 50 115.745 -0.817 6.463 352 1HG2 VAL 50 1HG2 VAL 50 112.930 2.064 7.657 353 2HG2 VAL 50 2HG2 VAL 50 112.794 0.346 8.027 354 3HG2 VAL 50 3HG2 VAL 50 112.333 0.943 6.432 355 H PHE 51 H PHE 51 116.492 3.264 6.361 356 HA PHE 51 HA PHE 51 118.864 1.680 5.644 357 1HB PHE 51 1HB PHE 51 117.698 4.096 4.254 358 2HB PHE 51 2HB PHE 51 119.071 3.146 3.697 359 HD1 PHE 51 HD1 PHE 51 118.404 0.461 3.693 360 HD2 PHE 51 HD2 PHE 51 115.790 3.756 3.086 361 HE1 PHE 51 HE1 PHE 51 116.870 -0.993 2.419 362 HE2 PHE 51 HE2 PHE 51 114.251 2.310 1.816 363 HZ PHE 51 HZ PHE 51 114.796 -0.062 1.484 364 H ALA 52 H ALA 52 117.828 4.798 6.914 365 HA ALA 52 HA ALA 52 118.958 6.290 8.249 366 1HB ALA 52 1HB ALA 52 121.493 4.739 7.885 367 2HB ALA 52 2HB ALA 52 120.237 4.202 9.001 368 3HB ALA 52 3HB ALA 52 121.012 5.770 9.233 369 H MET 53 H MET 53 119.029 6.024 5.184 370 HA MET 53 HA MET 53 120.960 8.196 4.739 371 1HB MET 53 1HB MET 53 120.919 6.941 2.327 372 2HB MET 53 2HB MET 53 122.172 6.743 3.546 373 1HG MET 53 1HG MET 53 121.468 4.666 4.145 374 2HG MET 53 2HG MET 53 119.784 4.994 3.726 375 1HE MET 53 1HE MET 53 119.112 5.575 1.330 376 2HE MET 53 2HE MET 53 119.770 4.775 -0.097 377 3HE MET 53 3HE MET 53 120.555 6.214 0.540 378 H SER 54 H SER 54 120.488 9.467 2.820 379 HA SER 54 HA SER 54 117.771 10.281 2.826 380 1HB SER 54 1HB SER 54 119.771 11.770 2.492 381 2HB SER 54 2HB SER 54 119.938 11.078 0.874 382 HG SER 54 HG SER 54 117.650 11.785 0.623 383 HA PRO 55 HA PRO 55 115.914 7.691 -0.275 384 1HB PRO 55 1HB PRO 55 114.708 10.270 -1.181 385 2HB PRO 55 2HB PRO 55 113.923 8.721 -0.850 386 1HG PRO 55 1HG PRO 55 113.747 10.738 0.886 387 2HG PRO 55 2HG PRO 55 113.913 9.060 1.441 388 1HD PRO 55 1HD PRO 55 115.923 11.255 1.412 389 2HD PRO 55 2HD PRO 55 115.745 9.897 2.544 390 H GLU 56 H GLU 56 117.458 10.742 -1.000 391 HA GLU 56 HA GLU 56 117.806 10.172 -3.800 392 1HB GLU 56 1HB GLU 56 118.965 12.253 -3.917 393 2HB GLU 56 2HB GLU 56 117.615 12.492 -2.812 394 1HG GLU 56 1HG GLU 56 119.100 12.291 -0.908 395 2HG GLU 56 2HG GLU 56 120.464 11.975 -1.986 396 H GLU 57 H GLU 57 119.632 9.893 -0.822 397 HA GLU 57 HA GLU 57 122.180 9.434 -1.796 398 1HB GLU 57 1HB GLU 57 120.747 8.768 0.714 399 2HB GLU 57 2HB GLU 57 122.072 7.683 0.314 400 1HG GLU 57 1HG GLU 57 123.225 10.094 -0.129 401 2HG GLU 57 2HG GLU 57 122.117 10.471 1.188 402 H PHE 58 H PHE 58 119.615 7.022 -1.189 403 HA PHE 58 HA PHE 58 120.821 4.683 -1.954 404 1HB PHE 58 1HB PHE 58 118.268 5.415 -1.383 405 2HB PHE 58 2HB PHE 58 118.120 5.132 -3.116 406 HD1 PHE 58 HD1 PHE 58 118.303 3.632 0.140 407 HD2 PHE 58 HD2 PHE 58 118.762 2.866 -4.022 408 HE1 PHE 58 HE1 PHE 58 118.045 1.227 0.562 409 HE2 PHE 58 HE2 PHE 58 118.503 0.455 -3.604 410 HZ PHE 58 HZ PHE 58 118.147 -0.369 -1.309 411 H GLY 59 H GLY 59 118.902 6.643 -4.251 412 1HA GLY 59 1HA GLY 59 119.658 5.333 -6.567 413 2HA GLY 59 2HA GLY 59 119.171 7.020 -6.501 414 H LYS 60 H LYS 60 121.497 7.574 -4.664 415 HA LYS 60 HA LYS 60 123.466 7.908 -6.799 416 1HB LYS 60 1HB LYS 60 122.804 9.346 -4.296 417 2HB LYS 60 2HB LYS 60 124.511 9.301 -4.735 418 1HG LYS 60 1HG LYS 60 124.024 11.129 -5.923 419 2HG LYS 60 2HG LYS 60 123.379 9.983 -7.106 420 1HD LYS 60 1HD LYS 60 121.526 10.753 -4.949 421 2HD LYS 60 2HD LYS 60 121.974 12.051 -6.059 422 1HE LYS 60 1HE LYS 60 121.479 10.093 -7.827 423 2HE LYS 60 2HE LYS 60 120.387 9.601 -6.533 424 1HZ LYS 60 1HZ LYS 60 119.081 11.008 -7.769 425 2HZ LYS 60 2HZ LYS 60 120.352 12.053 -8.158 426 3HZ LYS 60 3HZ LYS 60 119.684 12.077 -6.604 427 H LEU 61 H LEU 61 122.870 5.625 -4.519 428 HA LEU 61 HA LEU 61 125.513 5.275 -3.489 429 1HB LEU 61 1HB LEU 61 123.023 3.561 -3.406 430 2HB LEU 61 2HB LEU 61 124.496 3.191 -2.541 431 HG LEU 61 HG LEU 61 122.569 5.407 -2.031 432 1HD1 LEU 61 1HD1 LEU 61 123.406 2.918 -0.745 433 2HD1 LEU 61 2HD1 LEU 61 121.874 3.786 -0.664 434 3HD1 LEU 61 3HD1 LEU 61 123.233 4.300 0.336 435 1HD2 LEU 61 1HD2 LEU 61 124.448 5.827 -0.155 436 2HD2 LEU 61 2HD2 LEU 61 124.376 6.721 -1.673 437 3HD2 LEU 61 3HD2 LEU 61 125.471 5.347 -1.509 438 H ALA 62 H ALA 62 125.181 2.286 -3.844 439 HA ALA 62 HA ALA 62 126.004 2.079 -6.656 440 1HB ALA 62 1HB ALA 62 127.281 0.495 -4.442 441 2HB ALA 62 2HB ALA 62 127.921 2.037 -5.012 442 3HB ALA 62 3HB ALA 62 127.816 0.664 -6.114 443 H LEU 63 H LEU 63 126.301 -0.510 -7.047 444 HA LEU 63 HA LEU 63 123.614 -1.526 -6.860 445 1HB LEU 63 1HB LEU 63 125.218 -1.757 -8.825 446 2HB LEU 63 2HB LEU 63 126.021 -3.003 -7.887 447 HG LEU 63 HG LEU 63 123.204 -3.539 -7.961 448 1HD1 LEU 63 1HD1 LEU 63 122.989 -2.365 -9.989 449 2HD1 LEU 63 2HD1 LEU 63 123.136 -4.067 -10.433 450 3HD1 LEU 63 3HD1 LEU 63 124.522 -2.989 -10.604 451 1HD2 LEU 63 1HD2 LEU 63 125.161 -5.179 -9.459 452 2HD2 LEU 63 2HD2 LEU 63 123.918 -5.664 -8.306 453 3HD2 LEU 63 3HD2 LEU 63 125.435 -4.968 -7.729 454 H TRP 64 H TRP 64 126.619 -2.041 -5.207 455 HA TRP 64 HA TRP 64 125.748 -4.473 -3.924 456 1HB TRP 64 1HB TRP 64 127.950 -4.138 -2.708 457 2HB TRP 64 2HB TRP 64 128.080 -4.312 -4.465 458 HD1 TRP 64 HD1 TRP 64 129.091 -2.282 -5.779 459 HE1 TRP 64 HE1 TRP 64 130.008 0.014 -5.080 460 HE3 TRP 64 HE3 TRP 64 127.469 -2.280 -1.055 461 HZ2 TRP 64 HZ2 TRP 64 130.028 1.618 -2.704 462 HZ3 TRP 64 HZ3 TRP 64 127.972 -0.329 0.404 463 HH2 TRP 64 HH2 TRP 64 129.210 1.571 -0.419 464 H LYS 65 H LYS 65 126.071 -1.069 -3.378 465 HA LYS 65 HA LYS 65 125.530 -1.089 -0.579 466 1HB LYS 65 1HB LYS 65 126.458 0.803 -2.224 467 2HB LYS 65 2HB LYS 65 124.757 1.263 -2.228 468 1HG LYS 65 1HG LYS 65 124.752 1.688 0.079 469 2HG LYS 65 2HG LYS 65 126.283 0.837 0.322 470 1HD LYS 65 1HD LYS 65 127.393 2.578 -1.067 471 2HD LYS 65 2HD LYS 65 125.862 3.456 -1.114 472 1HE LYS 65 1HE LYS 65 126.551 4.480 0.746 473 2HE LYS 65 2HE LYS 65 126.227 2.951 1.575 474 1HZ LYS 65 1HZ LYS 65 128.533 4.045 1.805 475 2HZ LYS 65 2HZ LYS 65 128.830 3.407 0.267 476 3HZ LYS 65 3HZ LYS 65 128.447 2.374 1.551 477 H ARG 66 H ARG 66 123.504 -0.063 -3.334 478 HA ARG 66 HA ARG 66 121.088 0.217 -2.052 479 1HB ARG 66 1HB ARG 66 121.638 -0.869 -4.816 480 2HB ARG 66 2HB ARG 66 120.050 -0.372 -4.249 481 1HG ARG 66 1HG ARG 66 120.809 1.885 -3.955 482 2HG ARG 66 2HG ARG 66 122.457 1.410 -4.365 483 1HD ARG 66 1HD ARG 66 120.137 1.063 -6.251 484 2HD ARG 66 2HD ARG 66 121.120 2.534 -6.197 485 HE ARG 66 HE ARG 66 122.655 0.127 -6.511 486 1HH1 ARG 66 1HH1 ARG 66 120.859 2.608 -8.181 487 2HH1 ARG 66 2HH1 ARG 66 121.692 2.377 -9.681 488 1HH2 ARG 66 1HH2 ARG 66 123.753 -0.181 -8.483 489 2HH2 ARG 66 2HH2 ARG 66 123.335 0.793 -9.854 490 H ASN 67 H ASN 67 122.576 -2.681 -3.340 491 HA ASN 67 HA ASN 67 120.483 -4.486 -2.862 492 1HB ASN 67 1HB ASN 67 123.375 -4.664 -3.382 493 2HB ASN 67 2HB ASN 67 122.722 -6.021 -2.462 494 1HD2 ASN 67 1HD2 ASN 67 122.071 -4.066 -5.342 495 2HD2 ASN 67 2HD2 ASN 67 121.469 -5.370 -6.303 496 H GLU 68 H GLU 68 123.428 -4.167 -0.885 497 HA GLU 68 HA GLU 68 122.718 -5.626 1.290 498 1HB GLU 68 1HB GLU 68 124.802 -3.971 0.676 499 2HB GLU 68 2HB GLU 68 124.052 -3.108 2.011 500 1HG GLU 68 1HG GLU 68 124.113 -5.383 3.221 501 2HG GLU 68 2HG GLU 68 125.287 -5.831 1.983 502 H LEU 69 H LEU 69 121.798 -2.253 0.661 503 HA LEU 69 HA LEU 69 120.570 -1.793 3.157 504 1HB LEU 69 1HB LEU 69 119.725 -0.549 0.553 505 2HB LEU 69 2HB LEU 69 119.545 0.110 2.168 506 HG LEU 69 HG LEU 69 122.274 -0.464 1.242 507 1HD1 LEU 69 1HD1 LEU 69 122.327 0.971 -0.446 508 2HD1 LEU 69 2HD1 LEU 69 121.493 2.199 0.499 509 3HD1 LEU 69 3HD1 LEU 69 120.567 0.993 -0.383 510 1HD2 LEU 69 1HD2 LEU 69 122.172 0.374 3.416 511 2HD2 LEU 69 2HD2 LEU 69 120.920 1.544 2.999 512 3HD2 LEU 69 3HD2 LEU 69 122.574 1.786 2.438 513 H LYS 70 H LYS 70 119.055 -2.406 0.020 514 HA LYS 70 HA LYS 70 116.463 -2.943 1.004 515 1HB LYS 70 1HB LYS 70 117.940 -3.487 -1.527 516 2HB LYS 70 2HB LYS 70 116.453 -4.378 -1.241 517 1HG LYS 70 1HG LYS 70 115.151 -2.434 -1.227 518 2HG LYS 70 2HG LYS 70 116.560 -1.393 -1.008 519 1HD LYS 70 1HD LYS 70 116.056 -1.099 -3.253 520 2HD LYS 70 2HD LYS 70 117.310 -2.340 -3.300 521 1HE LYS 70 1HE LYS 70 115.337 -2.789 -4.774 522 2HE LYS 70 2HE LYS 70 115.699 -4.066 -3.613 523 1HZ LYS 70 1HZ LYS 70 113.817 -3.664 -2.441 524 2HZ LYS 70 2HZ LYS 70 113.271 -3.137 -3.952 525 3HZ LYS 70 3HZ LYS 70 113.788 -2.011 -2.802 526 H LYS 71 H LYS 71 119.361 -4.774 0.999 527 HA LYS 71 HA LYS 71 118.072 -7.337 1.355 528 1HB LYS 71 1HB LYS 71 120.931 -6.386 1.238 529 2HB LYS 71 2HB LYS 71 120.529 -8.035 1.728 530 1HG LYS 71 1HG LYS 71 119.566 -8.515 -0.382 531 2HG LYS 71 2HG LYS 71 119.597 -6.813 -0.853 532 1HD LYS 71 1HD LYS 71 121.425 -7.699 -1.984 533 2HD LYS 71 2HD LYS 71 122.156 -7.017 -0.530 534 1HE LYS 71 1HE LYS 71 122.157 -9.222 0.513 535 2HE LYS 71 2HE LYS 71 121.394 -9.910 -0.919 536 1HZ LYS 71 1HZ LYS 71 123.869 -8.445 -1.356 537 2HZ LYS 71 2HZ LYS 71 123.317 -9.876 -2.070 538 3HZ LYS 71 3HZ LYS 71 124.013 -9.913 -0.528 539 H LYS 72 H LYS 72 119.441 -4.818 3.312 540 HA LYS 72 HA LYS 72 119.349 -6.477 5.705 541 1HB LYS 72 1HB LYS 72 121.352 -5.141 5.468 542 2HB LYS 72 2HB LYS 72 120.398 -3.685 5.226 543 1HG LYS 72 1HG LYS 72 119.674 -4.905 7.714 544 2HG LYS 72 2HG LYS 72 121.427 -4.702 7.631 545 1HD LYS 72 1HD LYS 72 121.052 -2.595 8.288 546 2HD LYS 72 2HD LYS 72 120.483 -2.314 6.641 547 1HE LYS 72 1HE LYS 72 118.833 -1.494 8.184 548 2HE LYS 72 2HE LYS 72 118.197 -2.928 7.380 549 1HZ LYS 72 1HZ LYS 72 118.182 -4.097 9.288 550 2HZ LYS 72 2HZ LYS 72 118.123 -2.567 10.009 551 3HZ LYS 72 3HZ LYS 72 119.598 -3.387 9.884 552 H ALA 73 H ALA 73 117.646 -4.079 3.992 553 HA ALA 73 HA ALA 73 116.057 -3.125 6.198 554 1HB ALA 73 1HB ALA 73 116.275 -2.585 3.288 555 2HB ALA 73 2HB ALA 73 116.311 -1.462 4.647 556 3HB ALA 73 3HB ALA 73 114.776 -2.146 4.106 557 H GLU 74 H GLU 74 116.080 -6.001 4.681 558 HA GLU 74 HA GLU 74 114.605 -7.714 4.556 559 1HB GLU 74 1HB GLU 74 112.682 -5.820 5.921 560 2HB GLU 74 2HB GLU 74 112.424 -7.542 5.696 561 1HG GLU 74 1HG GLU 74 113.489 -7.969 7.579 562 2HG GLU 74 2HG GLU 74 114.941 -7.185 6.958 563 H LEU 75 H LEU 75 114.695 -5.268 2.650 564 HA LEU 75 HA LEU 75 112.477 -6.214 1.039 565 1HB LEU 75 1HB LEU 75 112.546 -3.533 0.376 566 2HB LEU 75 2HB LEU 75 111.287 -4.363 1.282 567 HG LEU 75 HG LEU 75 113.148 -3.728 3.195 568 1HD1 LEU 75 1HD1 LEU 75 114.497 -2.314 1.896 569 2HD1 LEU 75 2HD1 LEU 75 113.427 -1.226 2.784 570 3HD1 LEU 75 3HD1 LEU 75 113.103 -1.596 1.086 571 1HD2 LEU 75 1HD2 LEU 75 111.037 -3.330 3.880 572 2HD2 LEU 75 2HD2 LEU 75 110.525 -2.739 2.300 573 3HD2 LEU 75 3HD2 LEU 75 111.415 -1.678 3.392 574 H PHE 76 H PHE 76 114.402 -7.351 0.159 575 HA PHE 76 HA PHE 76 115.527 -5.727 -2.026 576 1HB PHE 76 1HB PHE 76 117.516 -6.100 -0.981 577 2HB PHE 76 2HB PHE 76 116.918 -7.516 -0.114 578 HD1 PHE 76 HD1 PHE 76 118.352 -6.300 -3.275 579 HD2 PHE 76 HD2 PHE 76 117.201 -9.713 -1.007 580 HE1 PHE 76 HE1 PHE 76 119.562 -7.751 -4.851 581 HE2 PHE 76 HE2 PHE 76 118.410 -11.169 -2.579 582 HZ PHE 76 HZ PHE 76 119.592 -10.188 -4.504 Start of MODEL 4 1 HT1 PRO 9 HT1 PRO 9 100.655 12.872 -9.359 2 HT2 PRO 9 HT2 PRO 9 101.474 12.423 -8.005 3 HA PRO 9 HA PRO 9 102.319 13.646 -10.331 4 1HB PRO 9 1HB PRO 9 104.066 14.751 -8.403 5 2HB PRO 9 2HB PRO 9 102.994 15.626 -9.504 6 1HG PRO 9 1HG PRO 9 102.560 14.828 -6.673 7 2HG PRO 9 2HG PRO 9 101.976 16.259 -7.543 8 1HD PRO 9 1HD PRO 9 100.317 14.256 -6.962 9 2HD PRO 9 2HD PRO 9 100.207 15.093 -8.522 10 H GLY 10 H GLY 10 103.285 12.530 -7.080 11 1HA GLY 10 1HA GLY 10 105.423 10.934 -8.304 12 2HA GLY 10 2HA GLY 10 105.278 11.319 -6.597 13 H LEU 11 H LEU 11 105.331 9.350 -5.732 14 HA LEU 11 HA LEU 11 103.254 7.452 -6.584 15 1HB LEU 11 1HB LEU 11 104.777 5.707 -5.615 16 2HB LEU 11 2HB LEU 11 105.309 6.458 -7.106 17 HG LEU 11 HG LEU 11 106.475 8.000 -5.097 18 1HD1 LEU 11 1HD1 LEU 11 105.751 5.868 -3.716 19 2HD1 LEU 11 2HD1 LEU 11 107.301 6.667 -3.447 20 3HD1 LEU 11 3HD1 LEU 11 107.221 5.206 -4.432 21 1HD2 LEU 11 1HD2 LEU 11 107.878 7.724 -6.829 22 2HD2 LEU 11 2HD2 LEU 11 107.295 6.096 -7.175 23 3HD2 LEU 11 3HD2 LEU 11 108.474 6.356 -5.888 24 H GLN 12 H GLN 12 102.529 5.958 -4.840 25 HA GLN 12 HA GLN 12 101.780 7.491 -2.531 26 1HB GLN 12 1HB GLN 12 100.777 5.156 -1.869 27 2HB GLN 12 2HB GLN 12 100.039 6.115 -3.144 28 1HG GLN 12 1HG GLN 12 102.127 4.193 -3.966 29 2HG GLN 12 2HG GLN 12 100.602 3.519 -3.393 30 1HE2 GLN 12 1HE2 GLN 12 98.775 3.746 -4.614 31 2HE2 GLN 12 2HE2 GLN 12 98.779 4.380 -6.220 32 H ILE 13 H ILE 13 102.305 7.121 -0.383 33 HA ILE 13 HA ILE 13 104.593 5.334 0.094 34 HB ILE 13 HB ILE 13 104.197 8.052 1.349 35 1HG1 ILE 13 1HG1 ILE 13 105.850 7.121 -0.990 36 2HG1 ILE 13 2HG1 ILE 13 104.763 8.506 -0.892 37 1HG2 ILE 13 1HG2 ILE 13 105.443 6.136 2.566 38 2HG2 ILE 13 2HG2 ILE 13 106.189 7.732 2.483 39 3HG2 ILE 13 3HG2 ILE 13 106.721 6.452 1.392 40 1HD1 ILE 13 1HD1 ILE 13 106.599 9.724 -0.626 41 2HD1 ILE 13 2HD1 ILE 13 107.592 8.305 -0.292 42 3HD1 ILE 13 3HD1 ILE 13 106.673 9.064 1.008 43 H TYR 14 H TYR 14 104.248 3.888 1.630 44 HA TYR 14 HA TYR 14 102.258 4.463 3.726 45 1HB TYR 14 1HB TYR 14 102.757 1.707 2.606 46 2HB TYR 14 2HB TYR 14 101.412 2.251 3.604 47 HD1 TYR 14 HD1 TYR 14 99.441 3.081 2.633 48 HD2 TYR 14 HD2 TYR 14 102.904 2.543 0.220 49 HE1 TYR 14 HE1 TYR 14 98.091 3.478 0.618 50 HE2 TYR 14 HE2 TYR 14 101.564 2.939 -1.800 51 HH TYR 14 HH TYR 14 98.717 2.614 -2.216 52 HA PRO 15 HA PRO 15 104.916 3.225 7.041 53 1HB PRO 15 1HB PRO 15 103.480 0.600 7.206 54 2HB PRO 15 2HB PRO 15 103.919 1.725 8.502 55 1HG PRO 15 1HG PRO 15 101.426 1.646 7.611 56 2HG PRO 15 2HG PRO 15 102.195 3.202 7.978 57 1HD PRO 15 1HD PRO 15 101.623 1.943 5.338 58 2HD PRO 15 2HD PRO 15 101.608 3.660 5.798 59 H TYR 16 H TYR 16 106.595 1.631 7.692 60 HA TYR 16 HA TYR 16 107.820 0.500 5.336 61 1HB TYR 16 1HB TYR 16 109.400 1.598 6.630 62 2HB TYR 16 2HB TYR 16 108.697 1.043 8.147 63 HD1 TYR 16 HD1 TYR 16 110.814 0.070 5.288 64 HD2 TYR 16 HD2 TYR 16 109.359 -1.001 9.132 65 HE1 TYR 16 HE1 TYR 16 112.478 -1.734 5.387 66 HE2 TYR 16 HE2 TYR 16 111.021 -2.814 9.264 67 HH TYR 16 HH TYR 16 113.551 -3.091 7.895 68 H GLU 17 H GLU 17 107.152 -0.774 8.612 69 HA GLU 17 HA GLU 17 107.673 -3.433 8.199 70 1HB GLU 17 1HB GLU 17 106.161 -1.877 10.100 71 2HB GLU 17 2HB GLU 17 105.331 -3.391 9.772 72 1HG GLU 17 1HG GLU 17 107.082 -4.678 10.572 73 2HG GLU 17 2HG GLU 17 108.254 -3.369 10.394 74 H MET 18 H MET 18 104.803 -1.644 7.237 75 HA MET 18 HA MET 18 103.360 -3.970 6.368 76 1HB MET 18 1HB MET 18 102.086 -2.058 7.058 77 2HB MET 18 2HB MET 18 102.946 -1.008 5.941 78 1HG MET 18 1HG MET 18 101.568 -1.486 4.269 79 2HG MET 18 2HG MET 18 101.651 -3.220 4.586 80 1HE MET 18 1HE MET 18 100.517 -3.772 7.349 81 2HE MET 18 2HE MET 18 99.941 -4.571 5.886 82 3HE MET 18 3HE MET 18 98.786 -3.890 7.032 83 H LEU 19 H LEU 19 105.613 -1.726 4.991 84 HA LEU 19 HA LEU 19 105.136 -2.617 2.268 85 1HB LEU 19 1HB LEU 19 106.898 -0.543 3.527 86 2HB LEU 19 2HB LEU 19 107.081 -0.992 1.840 87 HG LEU 19 HG LEU 19 104.537 0.087 3.054 88 1HD1 LEU 19 1HD1 LEU 19 106.501 1.679 3.015 89 2HD1 LEU 19 2HD1 LEU 19 105.066 2.192 2.128 90 3HD1 LEU 19 3HD1 LEU 19 106.456 1.546 1.257 91 1HD2 LEU 19 1HD2 LEU 19 104.317 0.529 0.442 92 2HD2 LEU 19 2HD2 LEU 19 103.784 -0.970 1.203 93 3HD2 LEU 19 3HD2 LEU 19 105.349 -0.900 0.393 94 H VAL 20 H VAL 20 106.771 -3.925 4.797 95 HA VAL 20 HA VAL 20 109.325 -4.476 3.761 96 HB VAL 20 HB VAL 20 107.775 -6.325 5.578 97 1HG1 VAL 20 1HG1 VAL 20 110.622 -5.977 4.829 98 2HG1 VAL 20 2HG1 VAL 20 109.714 -7.455 5.155 99 3HG1 VAL 20 3HG1 VAL 20 110.248 -6.429 6.491 100 1HG2 VAL 20 1HG2 VAL 20 109.542 -4.090 6.498 101 2HG2 VAL 20 2HG2 VAL 20 108.406 -5.060 7.434 102 3HG2 VAL 20 3HG2 VAL 20 107.810 -3.880 6.275 103 H VAL 21 H VAL 21 110.066 -6.740 3.068 104 HA VAL 21 HA VAL 21 108.211 -7.605 0.974 105 HB VAL 21 HB VAL 21 111.159 -8.153 1.257 106 1HG1 VAL 21 1HG1 VAL 21 110.931 -8.627 -1.218 107 2HG1 VAL 21 2HG1 VAL 21 109.189 -8.672 -0.954 108 3HG1 VAL 21 3HG1 VAL 21 110.238 -9.825 -0.127 109 1HG2 VAL 21 1HG2 VAL 21 110.724 -5.772 1.023 110 2HG2 VAL 21 2HG2 VAL 21 109.720 -6.084 -0.395 111 3HG2 VAL 21 3HG2 VAL 21 111.450 -6.420 -0.449 112 H THR 22 H THR 22 110.736 -9.344 2.830 113 HA THR 22 HA THR 22 108.960 -11.686 2.799 114 HB THR 22 HB THR 22 111.955 -11.471 3.105 115 HG1 THR 22 HG1 THR 22 110.400 -12.699 1.083 116 1HG2 THR 22 1HG2 THR 22 111.027 -13.364 4.432 117 2HG2 THR 22 2HG2 THR 22 112.100 -13.845 3.118 118 3HG2 THR 22 3HG2 THR 22 110.354 -14.010 2.935 119 H ASN 23 H ASN 23 111.248 -10.035 4.918 120 HA ASN 23 HA ASN 23 111.087 -11.410 7.219 121 1HB ASN 23 1HB ASN 23 111.071 -8.401 6.940 122 2HB ASN 23 2HB ASN 23 111.507 -9.280 8.408 123 1HD2 ASN 23 1HD2 ASN 23 112.425 -8.592 5.094 124 2HD2 ASN 23 2HD2 ASN 23 114.076 -9.079 5.256 125 H LYS 24 H LYS 24 108.455 -9.541 5.886 126 HA LYS 24 HA LYS 24 106.915 -10.059 8.343 127 1HB LYS 24 1HB LYS 24 107.049 -7.748 6.549 128 2HB LYS 24 2HB LYS 24 105.406 -8.249 6.930 129 1HG LYS 24 1HG LYS 24 106.421 -6.494 8.428 130 2HG LYS 24 2HG LYS 24 105.722 -7.897 9.234 131 1HD LYS 24 1HD LYS 24 107.834 -7.332 10.267 132 2HD LYS 24 2HD LYS 24 107.983 -8.875 9.425 133 1HE LYS 24 1HE LYS 24 109.775 -8.027 8.416 134 2HE LYS 24 2HE LYS 24 108.673 -6.988 7.517 135 1HZ LYS 24 1HZ LYS 24 110.209 -6.353 9.961 136 2HZ LYS 24 2HZ LYS 24 108.874 -5.426 9.493 137 3HZ LYS 24 3HZ LYS 24 110.218 -5.547 8.473 138 H GLY 25 H GLY 25 107.365 -11.920 6.082 139 1HA GLY 25 1HA GLY 25 105.651 -13.627 5.675 140 2HA GLY 25 2HA GLY 25 104.525 -12.316 5.364 141 H ARG 26 H ARG 26 104.433 -11.387 3.368 142 HA ARG 26 HA ARG 26 106.348 -12.285 1.351 143 1HB ARG 26 1HB ARG 26 103.414 -12.221 0.718 144 2HB ARG 26 2HB ARG 26 104.711 -13.033 -0.134 145 1HG ARG 26 1HG ARG 26 103.931 -14.876 0.845 146 2HG ARG 26 2HG ARG 26 104.797 -14.294 2.267 147 1HD ARG 26 1HD ARG 26 102.872 -13.489 3.269 148 2HD ARG 26 2HD ARG 26 102.001 -13.378 1.740 149 HE ARG 26 HE ARG 26 102.685 -16.067 2.514 150 1HH1 ARG 26 1HH1 ARG 26 100.318 -13.515 2.773 151 2HH1 ARG 26 2HH1 ARG 26 99.014 -14.592 3.143 152 1HH2 ARG 26 1HH2 ARG 26 100.973 -17.484 3.000 153 2HH2 ARG 26 2HH2 ARG 26 99.385 -16.847 3.272 154 H THR 27 H THR 27 104.857 -11.056 -0.814 155 HA THR 27 HA THR 27 105.791 -8.430 -0.513 156 HB THR 27 HB THR 27 105.497 -9.599 -2.702 157 HG1 THR 27 HG1 THR 27 104.052 -7.195 -2.800 158 1HG2 THR 27 1HG2 THR 27 103.441 -9.681 -3.837 159 2HG2 THR 27 2HG2 THR 27 102.617 -8.776 -2.567 160 3HG2 THR 27 3HG2 THR 27 103.169 -10.426 -2.263 161 H LYS 28 H LYS 28 102.387 -9.515 -0.755 162 HA LYS 28 HA LYS 28 100.456 -8.444 -0.129 163 1HB LYS 28 1HB LYS 28 102.157 -8.235 2.345 164 2HB LYS 28 2HB LYS 28 100.395 -8.159 2.303 165 1HG LYS 28 1HG LYS 28 100.341 -10.352 2.552 166 2HG LYS 28 2HG LYS 28 101.137 -10.524 0.984 167 1HD LYS 28 1HD LYS 28 102.607 -11.625 2.376 168 2HD LYS 28 2HD LYS 28 103.298 -10.002 2.333 169 1HE LYS 28 1HE LYS 28 103.302 -10.316 4.587 170 2HE LYS 28 2HE LYS 28 101.664 -9.688 4.411 171 1HZ LYS 28 1HZ LYS 28 101.031 -11.538 5.444 172 2HZ LYS 28 2HZ LYS 28 102.537 -12.282 5.248 173 3HZ LYS 28 3HZ LYS 28 101.385 -12.367 4.012 174 H LEU 29 H LEU 29 102.547 -6.575 -1.239 175 HA LEU 29 HA LEU 29 102.673 -4.202 0.172 176 1HB LEU 29 1HB LEU 29 102.964 -5.042 -2.634 177 2HB LEU 29 2HB LEU 29 102.700 -3.336 -2.374 178 HG LEU 29 HG LEU 29 105.006 -3.586 -2.511 179 1HD1 LEU 29 1HD1 LEU 29 104.354 -3.614 0.430 180 2HD1 LEU 29 2HD1 LEU 29 104.342 -2.201 -0.622 181 3HD1 LEU 29 3HD1 LEU 29 105.854 -3.042 -0.288 182 1HD2 LEU 29 1HD2 LEU 29 105.926 -5.335 -0.620 183 2HD2 LEU 29 2HD2 LEU 29 105.775 -5.668 -2.344 184 3HD2 LEU 29 3HD2 LEU 29 104.490 -6.146 -1.238 185 HA PRO 30 HA PRO 30 98.579 -2.480 0.057 186 1HB PRO 30 1HB PRO 30 99.390 0.180 -0.037 187 2HB PRO 30 2HB PRO 30 99.201 -0.767 1.444 188 1HG PRO 30 1HG PRO 30 101.674 -0.138 -0.112 189 2HG PRO 30 2HG PRO 30 101.440 -0.222 1.646 190 1HD PRO 30 1HD PRO 30 102.643 -2.208 0.293 191 2HD PRO 30 2HD PRO 30 101.575 -2.537 1.678 192 HA PRO 31 HA PRO 31 97.771 -1.199 -4.109 193 1HB PRO 31 1HB PRO 31 96.631 1.424 -3.513 194 2HB PRO 31 2HB PRO 31 95.821 -0.045 -4.066 195 1HG PRO 31 1HG PRO 31 95.488 0.955 -1.571 196 2HG PRO 31 2HG PRO 31 95.408 -0.780 -1.927 197 1HD PRO 31 1HD PRO 31 97.660 0.813 -0.757 198 2HD PRO 31 2HD PRO 31 97.060 -0.797 -0.299 199 H GLY 32 H GLY 32 99.628 -0.820 -5.245 200 1HA GLY 32 1HA GLY 32 100.703 0.782 -6.675 201 2HA GLY 32 2HA GLY 32 100.488 1.989 -5.422 202 H VAL 33 H VAL 33 101.856 -1.285 -5.129 203 HA VAL 33 HA VAL 33 104.501 -0.123 -4.690 204 HB VAL 33 HB VAL 33 104.175 -2.208 -2.797 205 1HG1 VAL 33 1HG1 VAL 33 104.470 0.585 -1.925 206 2HG1 VAL 33 2HG1 VAL 33 105.671 -0.021 -3.064 207 3HG1 VAL 33 3HG1 VAL 33 105.428 -0.839 -1.523 208 1HG2 VAL 33 1HG2 VAL 33 102.495 0.042 -1.908 209 2HG2 VAL 33 2HG2 VAL 33 102.412 -1.671 -1.502 210 3HG2 VAL 33 3HG2 VAL 33 101.755 -1.099 -3.029 211 H ASP 34 H ASP 34 105.952 -1.105 -5.830 212 HA ASP 34 HA ASP 34 105.551 -3.940 -6.512 213 1HB ASP 34 1HB ASP 34 105.558 -1.925 -8.320 214 2HB ASP 34 2HB ASP 34 107.283 -2.292 -8.263 215 H ARG 35 H ARG 35 107.379 -5.275 -6.508 216 HA ARG 35 HA ARG 35 109.306 -4.640 -4.539 217 1HB ARG 35 1HB ARG 35 109.505 -6.878 -6.550 218 2HB ARG 35 2HB ARG 35 110.219 -6.809 -4.944 219 1HG ARG 35 1HG ARG 35 107.279 -6.578 -5.077 220 2HG ARG 35 2HG ARG 35 107.971 -8.147 -5.507 221 1HD ARG 35 1HD ARG 35 108.825 -6.719 -3.013 222 2HD ARG 35 2HD ARG 35 107.344 -7.676 -3.041 223 HE ARG 35 HE ARG 35 110.016 -8.664 -2.960 224 1HH1 ARG 35 1HH1 ARG 35 106.817 -9.368 -4.159 225 2HH1 ARG 35 2HH1 ARG 35 107.063 -11.082 -4.177 226 1HH2 ARG 35 1HH2 ARG 35 110.345 -10.919 -2.981 227 2HH2 ARG 35 2HH2 ARG 35 109.065 -11.963 -3.507 228 H MET 36 H MET 36 109.160 -3.809 -7.806 229 HA MET 36 HA MET 36 111.851 -3.980 -8.581 230 1HB MET 36 1HB MET 36 109.418 -2.789 -9.591 231 2HB MET 36 2HB MET 36 110.783 -1.710 -9.840 232 1HG MET 36 1HG MET 36 110.942 -4.598 -10.606 233 2HG MET 36 2HG MET 36 110.196 -3.404 -11.673 234 1HE MET 36 1HE MET 36 112.555 -1.369 -13.144 235 2HE MET 36 2HE MET 36 112.740 -0.714 -11.517 236 3HE MET 36 3HE MET 36 111.155 -1.247 -12.078 237 H ARG 37 H ARG 37 110.059 -1.411 -6.924 238 HA ARG 37 HA ARG 37 112.605 -0.307 -6.010 239 1HB ARG 37 1HB ARG 37 111.416 2.026 -6.431 240 2HB ARG 37 2HB ARG 37 112.402 1.256 -7.659 241 1HG ARG 37 1HG ARG 37 109.667 0.363 -7.841 242 2HG ARG 37 2HG ARG 37 109.765 2.124 -7.895 243 1HD ARG 37 1HD ARG 37 111.378 1.998 -9.710 244 2HD ARG 37 2HD ARG 37 111.352 0.236 -9.633 245 HE ARG 37 HE ARG 37 108.769 0.826 -10.068 246 1HH1 ARG 37 1HH1 ARG 37 111.697 1.880 -11.650 247 2HH1 ARG 37 2HH1 ARG 37 110.934 2.101 -13.187 248 1HH2 ARG 37 1HH2 ARG 37 107.766 1.116 -12.088 249 2HH2 ARG 37 2HH2 ARG 37 108.702 1.668 -13.437 250 H LEU 38 H LEU 38 111.052 -1.795 -4.408 251 HA LEU 38 HA LEU 38 108.994 -0.520 -3.048 252 1HB LEU 38 1HB LEU 38 110.748 -2.820 -2.594 253 2HB LEU 38 2HB LEU 38 110.151 -2.076 -1.116 254 HG LEU 38 HG LEU 38 108.418 -3.053 -3.389 255 1HD1 LEU 38 1HD1 LEU 38 107.755 -4.824 -1.846 256 2HD1 LEU 38 2HD1 LEU 38 108.922 -4.236 -0.661 257 3HD1 LEU 38 3HD1 LEU 38 109.482 -4.896 -2.199 258 1HD2 LEU 38 1HD2 LEU 38 106.566 -2.505 -2.055 259 2HD2 LEU 38 2HD2 LEU 38 107.620 -1.094 -2.012 260 3HD2 LEU 38 3HD2 LEU 38 107.573 -2.198 -0.640 261 H GLU 39 H GLU 39 112.470 -0.234 -2.680 262 HA GLU 39 HA GLU 39 112.349 1.235 -0.248 263 1HB GLU 39 1HB GLU 39 114.725 1.689 -0.627 264 2HB GLU 39 2HB GLU 39 114.350 -0.016 -0.812 265 1HG GLU 39 1HG GLU 39 115.809 0.465 -2.551 266 2HG GLU 39 2HG GLU 39 114.216 0.449 -3.304 267 H ARG 40 H ARG 40 110.938 2.131 -2.891 268 HA ARG 40 HA ARG 40 111.883 4.915 -2.759 269 1HB ARG 40 1HB ARG 40 111.749 3.235 -4.966 270 2HB ARG 40 2HB ARG 40 110.324 4.250 -5.118 271 1HG ARG 40 1HG ARG 40 112.382 6.005 -4.458 272 2HG ARG 40 2HG ARG 40 113.096 4.873 -5.608 273 1HD ARG 40 1HD ARG 40 110.411 6.004 -6.212 274 2HD ARG 40 2HD ARG 40 111.820 7.044 -6.409 275 HE ARG 40 HE ARG 40 112.075 4.473 -7.676 276 1HH1 ARG 40 1HH1 ARG 40 110.948 7.755 -8.047 277 2HH1 ARG 40 2HH1 ARG 40 111.042 7.723 -9.776 278 1HH2 ARG 40 1HH2 ARG 40 112.198 4.431 -9.949 279 2HH2 ARG 40 2HH2 ARG 40 111.752 5.837 -10.856 280 H HIS 41 H HIS 41 109.496 2.824 -1.911 281 HA HIS 41 HA HIS 41 107.309 4.748 -2.177 282 1HB HIS 41 1HB HIS 41 107.490 1.788 -1.729 283 2HB HIS 41 2HB HIS 41 106.039 2.656 -1.258 284 HD1 HIS 41 HD1 HIS 41 104.922 4.099 -3.321 285 HD2 HIS 41 HD2 HIS 41 107.509 1.002 -4.313 286 HE1 HIS 41 HE1 HIS 41 104.443 3.566 -5.731 287 HE2 HIS 41 HE2 HIS 41 105.964 1.638 -6.286 288 H LEU 42 H LEU 42 109.691 4.059 -0.033 289 HA LEU 42 HA LEU 42 108.161 4.102 2.398 290 1HB LEU 42 1HB LEU 42 111.110 4.213 1.788 291 2HB LEU 42 2HB LEU 42 110.458 4.243 3.421 292 HG LEU 42 HG LEU 42 109.444 2.023 1.813 293 1HD1 LEU 42 1HD1 LEU 42 111.309 0.927 1.261 294 2HD1 LEU 42 2HD1 LEU 42 112.181 1.470 2.699 295 3HD1 LEU 42 3HD1 LEU 42 112.053 2.529 1.285 296 1HD2 LEU 42 1HD2 LEU 42 110.900 2.026 4.428 297 2HD2 LEU 42 2HD2 LEU 42 109.747 0.837 3.819 298 3HD2 LEU 42 3HD2 LEU 42 109.197 2.451 4.270 299 H SER 43 H SER 43 107.964 5.776 3.812 300 HA SER 43 HA SER 43 108.045 8.408 2.741 301 1HB SER 43 1HB SER 43 107.819 7.952 5.688 302 2HB SER 43 2HB SER 43 106.917 9.060 4.648 303 HG SER 43 HG SER 43 105.446 7.549 4.881 304 H ALA 44 H ALA 44 109.188 10.231 3.707 305 HA ALA 44 HA ALA 44 111.924 9.976 3.676 306 1HB ALA 44 1HB ALA 44 110.097 12.043 4.817 307 2HB ALA 44 2HB ALA 44 111.212 12.155 3.454 308 3HB ALA 44 3HB ALA 44 111.834 12.164 5.106 309 H GLU 45 H GLU 45 109.737 9.392 6.307 310 HA GLU 45 HA GLU 45 111.821 9.301 8.311 311 1HB GLU 45 1HB GLU 45 109.334 7.945 9.025 312 2HB GLU 45 2HB GLU 45 110.150 9.277 9.822 313 1HG GLU 45 1HG GLU 45 108.234 9.449 7.514 314 2HG GLU 45 2HG GLU 45 107.950 9.959 9.177 315 H ASP 46 H ASP 46 109.614 6.968 6.809 316 HA ASP 46 HA ASP 46 110.633 4.634 7.883 317 1HB ASP 46 1HB ASP 46 109.555 4.982 5.079 318 2HB ASP 46 2HB ASP 46 109.621 3.478 5.999 319 H PHE 47 H PHE 47 111.636 6.321 4.915 320 HA PHE 47 HA PHE 47 113.550 4.473 4.079 321 1HB PHE 47 1HB PHE 47 112.555 6.586 2.907 322 2HB PHE 47 2HB PHE 47 113.933 7.411 3.640 323 HD1 PHE 47 HD1 PHE 47 113.206 4.298 1.737 324 HD2 PHE 47 HD2 PHE 47 115.839 7.571 2.392 325 HE1 PHE 47 HE1 PHE 47 114.656 3.508 -0.098 326 HE2 PHE 47 HE2 PHE 47 117.280 6.792 0.558 327 HZ PHE 47 HZ PHE 47 116.684 4.762 -0.692 328 H SER 48 H SER 48 114.290 7.645 5.529 329 HA SER 48 HA SER 48 116.959 7.073 6.097 330 1HB SER 48 1HB SER 48 115.033 9.064 7.304 331 2HB SER 48 2HB SER 48 116.734 8.993 7.764 332 HG SER 48 HG SER 48 117.215 9.284 5.504 333 H ARG 49 H ARG 49 114.123 5.977 7.696 334 HA ARG 49 HA ARG 49 115.423 5.539 10.244 335 1HB ARG 49 1HB ARG 49 113.047 6.091 10.210 336 2HB ARG 49 2HB ARG 49 112.713 4.675 9.222 337 1HG ARG 49 1HG ARG 49 112.097 4.239 11.505 338 2HG ARG 49 2HG ARG 49 113.480 3.236 11.065 339 1HD ARG 49 1HD ARG 49 114.605 5.571 12.067 340 2HD ARG 49 2HD ARG 49 113.232 5.253 13.131 341 HE ARG 49 HE ARG 49 114.449 2.845 12.966 342 1HH1 ARG 49 1HH1 ARG 49 115.610 6.047 13.726 343 2HH1 ARG 49 2HH1 ARG 49 116.863 5.478 14.777 344 1HH2 ARG 49 1HH2 ARG 49 116.096 2.095 14.349 345 2HH2 ARG 49 2HH2 ARG 49 117.140 3.236 15.131 346 H VAL 50 H VAL 50 114.711 3.753 7.338 347 HA VAL 50 HA VAL 50 115.568 1.245 8.580 348 HB VAL 50 HB VAL 50 114.608 1.639 5.747 349 1HG1 VAL 50 1HG1 VAL 50 115.933 -0.426 6.422 350 2HG1 VAL 50 2HG1 VAL 50 114.372 -0.687 5.643 351 3HG1 VAL 50 3HG1 VAL 50 114.528 -0.870 7.390 352 1HG2 VAL 50 1HG2 VAL 50 112.797 0.417 7.722 353 2HG2 VAL 50 2HG2 VAL 50 112.445 1.465 6.348 354 3HG2 VAL 50 3HG2 VAL 50 113.031 2.160 7.863 355 H PHE 51 H PHE 51 116.406 3.416 5.914 356 HA PHE 51 HA PHE 51 118.819 1.874 5.371 357 1HB PHE 51 1HB PHE 51 117.563 4.209 3.935 358 2HB PHE 51 2HB PHE 51 119.040 3.397 3.429 359 HD1 PHE 51 HD1 PHE 51 118.568 0.627 3.592 360 HD2 PHE 51 HD2 PHE 51 115.825 3.698 2.566 361 HE1 PHE 51 HE1 PHE 51 117.245 -0.992 2.293 362 HE2 PHE 51 HE2 PHE 51 114.489 2.085 1.262 363 HZ PHE 51 HZ PHE 51 115.208 -0.262 1.127 364 H ALA 52 H ALA 52 117.855 4.941 6.734 365 HA ALA 52 HA ALA 52 119.047 6.371 8.080 366 1HB ALA 52 1HB ALA 52 120.825 4.172 7.897 367 2HB ALA 52 2HB ALA 52 120.737 5.421 9.135 368 3HB ALA 52 3HB ALA 52 121.760 5.656 7.717 369 H MET 53 H MET 53 119.330 5.997 4.808 370 HA MET 53 HA MET 53 120.882 8.496 4.558 371 1HB MET 53 1HB MET 53 121.990 7.727 2.764 372 2HB MET 53 2HB MET 53 121.566 6.149 3.412 373 1HG MET 53 1HG MET 53 119.989 7.632 1.324 374 2HG MET 53 2HG MET 53 121.158 6.354 0.999 375 1HE MET 53 1HE MET 53 120.939 3.950 1.920 376 2HE MET 53 2HE MET 53 120.253 4.196 0.311 377 3HE MET 53 3HE MET 53 119.404 3.193 1.490 378 H SER 54 H SER 54 120.328 9.618 2.426 379 HA SER 54 HA SER 54 117.547 10.337 2.583 380 1HB SER 54 1HB SER 54 119.150 12.106 2.314 381 2HB SER 54 2HB SER 54 119.867 11.307 0.907 382 HG SER 54 HG SER 54 118.455 12.316 -0.261 383 HA PRO 55 HA PRO 55 115.869 7.835 -0.676 384 1HB PRO 55 1HB PRO 55 114.625 10.365 -1.640 385 2HB PRO 55 2HB PRO 55 113.869 8.809 -1.284 386 1HG PRO 55 1HG PRO 55 113.605 10.870 0.389 387 2HG PRO 55 2HG PRO 55 113.794 9.213 0.997 388 1HD PRO 55 1HD PRO 55 115.776 11.442 0.916 389 2HD PRO 55 2HD PRO 55 115.569 10.154 2.125 390 H GLU 56 H GLU 56 117.510 10.841 -1.263 391 HA GLU 56 HA GLU 56 117.947 10.246 -4.073 392 1HB GLU 56 1HB GLU 56 118.509 12.442 -4.313 393 2HB GLU 56 2HB GLU 56 117.597 12.584 -2.814 394 1HG GLU 56 1HG GLU 56 119.956 12.156 -1.728 395 2HG GLU 56 2HG GLU 56 120.523 12.776 -3.281 396 H GLU 57 H GLU 57 119.426 9.639 -1.068 397 HA GLU 57 HA GLU 57 122.129 9.562 -1.976 398 1HB GLU 57 1HB GLU 57 120.704 9.030 0.556 399 2HB GLU 57 2HB GLU 57 122.086 7.982 0.272 400 1HG GLU 57 1HG GLU 57 123.519 9.925 -0.018 401 2HG GLU 57 2HG GLU 57 122.133 10.987 0.229 402 H PHE 58 H PHE 58 119.648 7.089 -1.286 403 HA PHE 58 HA PHE 58 120.965 4.748 -1.805 404 1HB PHE 58 1HB PHE 58 118.380 5.406 -1.441 405 2HB PHE 58 2HB PHE 58 118.335 5.102 -3.174 406 HD1 PHE 58 HD1 PHE 58 119.298 2.821 -3.959 407 HD2 PHE 58 HD2 PHE 58 118.120 3.672 0.036 408 HE1 PHE 58 HE1 PHE 58 119.047 0.412 -3.519 409 HE2 PHE 58 HE2 PHE 58 117.884 1.267 0.487 410 HZ PHE 58 HZ PHE 58 118.343 -0.372 -1.289 411 H GLY 59 H GLY 59 119.319 6.691 -4.323 412 1HA GLY 59 1HA GLY 59 120.219 5.205 -6.517 413 2HA GLY 59 2HA GLY 59 119.720 6.890 -6.576 414 H LYS 60 H LYS 60 121.842 7.608 -4.601 415 HA LYS 60 HA LYS 60 124.003 7.855 -6.545 416 1HB LYS 60 1HB LYS 60 123.572 9.216 -3.880 417 2HB LYS 60 2HB LYS 60 124.909 9.547 -4.979 418 1HG LYS 60 1HG LYS 60 122.384 9.764 -6.350 419 2HG LYS 60 2HG LYS 60 122.413 10.791 -4.911 420 1HD LYS 60 1HD LYS 60 124.918 11.028 -6.263 421 2HD LYS 60 2HD LYS 60 123.618 11.259 -7.433 422 1HE LYS 60 1HE LYS 60 123.832 13.397 -6.659 423 2HE LYS 60 2HE LYS 60 122.633 12.783 -5.522 424 1HZ LYS 60 1HZ LYS 60 124.688 14.043 -4.642 425 2HZ LYS 60 2HZ LYS 60 125.499 12.578 -4.883 426 3HZ LYS 60 3HZ LYS 60 124.173 12.648 -3.835 427 H LEU 61 H LEU 61 123.230 5.610 -4.324 428 HA LEU 61 HA LEU 61 125.791 5.347 -3.046 429 1HB LEU 61 1HB LEU 61 123.267 3.684 -2.995 430 2HB LEU 61 2HB LEU 61 124.690 3.314 -2.046 431 HG LEU 61 HG LEU 61 122.933 5.728 -1.785 432 1HD1 LEU 61 1HD1 LEU 61 122.047 4.780 0.028 433 2HD1 LEU 61 2HD1 LEU 61 123.571 4.047 0.523 434 3HD1 LEU 61 3HD1 LEU 61 122.587 3.281 -0.726 435 1HD2 LEU 61 1HD2 LEU 61 125.581 5.121 -0.502 436 2HD2 LEU 61 2HD2 LEU 61 124.448 6.325 0.112 437 3HD2 LEU 61 3HD2 LEU 61 125.156 6.518 -1.491 438 H ALA 62 H ALA 62 125.448 2.317 -3.275 439 HA ALA 62 HA ALA 62 126.479 2.017 -6.011 440 1HB ALA 62 1HB ALA 62 127.584 0.492 -3.676 441 2HB ALA 62 2HB ALA 62 128.258 2.026 -4.217 442 3HB ALA 62 3HB ALA 62 128.248 0.635 -5.302 443 H LEU 63 H LEU 63 126.524 -0.294 -6.747 444 HA LEU 63 HA LEU 63 123.932 -1.409 -6.548 445 1HB LEU 63 1HB LEU 63 125.585 -1.566 -8.476 446 2HB LEU 63 2HB LEU 63 126.371 -2.843 -7.565 447 HG LEU 63 HG LEU 63 123.545 -3.366 -7.751 448 1HD1 LEU 63 1HD1 LEU 63 123.697 -2.015 -9.801 449 2HD1 LEU 63 2HD1 LEU 63 123.343 -3.711 -10.129 450 3HD1 LEU 63 3HD1 LEU 63 124.971 -3.083 -10.389 451 1HD2 LEU 63 1HD2 LEU 63 124.257 -5.492 -8.100 452 2HD2 LEU 63 2HD2 LEU 63 125.752 -4.823 -7.444 453 3HD2 LEU 63 3HD2 LEU 63 125.555 -4.998 -9.188 454 H TRP 64 H TRP 64 126.901 -2.025 -4.831 455 HA TRP 64 HA TRP 64 125.960 -4.509 -3.702 456 1HB TRP 64 1HB TRP 64 128.133 -4.291 -2.423 457 2HB TRP 64 2HB TRP 64 128.311 -4.342 -4.182 458 HD1 TRP 64 HD1 TRP 64 129.386 -2.240 -5.321 459 HE1 TRP 64 HE1 TRP 64 130.307 -0.013 -4.432 460 HE3 TRP 64 HE3 TRP 64 127.629 -2.551 -0.658 461 HZ2 TRP 64 HZ2 TRP 64 130.282 1.415 -1.948 462 HZ3 TRP 64 HZ3 TRP 64 128.114 -0.719 0.952 463 HH2 TRP 64 HH2 TRP 64 129.399 1.217 0.305 464 H LYS 65 H LYS 65 126.297 -1.142 -2.979 465 HA LYS 65 HA LYS 65 125.653 -1.316 -0.202 466 1HB LYS 65 1HB LYS 65 126.588 0.676 -1.856 467 2HB LYS 65 2HB LYS 65 124.926 1.184 -1.571 468 1HG LYS 65 1HG LYS 65 126.237 0.348 0.875 469 2HG LYS 65 2HG LYS 65 127.108 1.655 0.063 470 1HD LYS 65 1HD LYS 65 125.180 3.051 0.079 471 2HD LYS 65 2HD LYS 65 124.144 1.720 0.609 472 1HE LYS 65 1HE LYS 65 124.775 3.373 2.396 473 2HE LYS 65 2HE LYS 65 125.150 1.682 2.759 474 1HZ LYS 65 1HZ LYS 65 126.919 3.453 3.228 475 2HZ LYS 65 2HZ LYS 65 127.179 3.459 1.556 476 3HZ LYS 65 3HZ LYS 65 127.406 2.036 2.442 477 H ARG 66 H ARG 66 123.793 -0.076 -2.980 478 HA ARG 66 HA ARG 66 121.305 0.198 -1.895 479 1HB ARG 66 1HB ARG 66 122.062 -0.909 -4.601 480 2HB ARG 66 2HB ARG 66 120.424 -0.451 -4.164 481 1HG ARG 66 1HG ARG 66 121.259 1.840 -3.696 482 2HG ARG 66 2HG ARG 66 122.828 1.334 -4.323 483 1HD ARG 66 1HD ARG 66 120.443 0.840 -6.019 484 2HD ARG 66 2HD ARG 66 120.997 2.513 -5.849 485 HE ARG 66 HE ARG 66 123.264 1.175 -6.460 486 1HH1 ARG 66 1HH1 ARG 66 120.105 1.294 -7.937 487 2HH1 ARG 66 2HH1 ARG 66 120.704 1.002 -9.536 488 1HH2 ARG 66 1HH2 ARG 66 124.055 0.792 -8.561 489 2HH2 ARG 66 2HH2 ARG 66 122.946 0.716 -9.890 490 H ASN 67 H ASN 67 122.786 -2.733 -3.140 491 HA ASN 67 HA ASN 67 120.643 -4.498 -2.729 492 1HB ASN 67 1HB ASN 67 123.567 -4.742 -3.118 493 2HB ASN 67 2HB ASN 67 122.798 -6.108 -2.312 494 1HD2 ASN 67 1HD2 ASN 67 122.280 -3.965 -5.096 495 2HD2 ASN 67 2HD2 ASN 67 121.751 -5.211 -6.171 496 H GLU 68 H GLU 68 123.554 -4.272 -0.702 497 HA GLU 68 HA GLU 68 122.758 -5.696 1.467 498 1HB GLU 68 1HB GLU 68 124.617 -3.416 1.081 499 2HB GLU 68 2HB GLU 68 124.182 -3.817 2.737 500 1HG GLU 68 1HG GLU 68 125.125 -5.947 2.594 501 2HG GLU 68 2HG GLU 68 125.169 -5.906 0.832 502 H LEU 69 H LEU 69 121.964 -2.312 0.767 503 HA LEU 69 HA LEU 69 120.741 -1.725 3.229 504 1HB LEU 69 1HB LEU 69 119.923 -0.612 0.556 505 2HB LEU 69 2HB LEU 69 119.688 0.118 2.130 506 HG LEU 69 HG LEU 69 122.425 -0.433 1.156 507 1HD1 LEU 69 1HD1 LEU 69 121.568 2.274 0.679 508 2HD1 LEU 69 2HD1 LEU 69 120.630 1.119 -0.266 509 3HD1 LEU 69 3HD1 LEU 69 122.389 1.147 -0.401 510 1HD2 LEU 69 1HD2 LEU 69 121.219 1.596 3.018 511 2HD2 LEU 69 2HD2 LEU 69 122.922 1.541 2.565 512 3HD2 LEU 69 3HD2 LEU 69 122.205 0.205 3.466 513 H LYS 70 H LYS 70 119.176 -2.402 0.131 514 HA LYS 70 HA LYS 70 116.597 -2.865 1.123 515 1HB LYS 70 1HB LYS 70 118.080 -3.562 -1.355 516 2HB LYS 70 2HB LYS 70 116.593 -4.447 -1.036 517 1HG LYS 70 1HG LYS 70 115.300 -2.467 -1.063 518 2HG LYS 70 2HG LYS 70 116.741 -1.447 -1.030 519 1HD LYS 70 1HD LYS 70 116.303 -1.337 -3.258 520 2HD LYS 70 2HD LYS 70 117.263 -2.818 -3.257 521 1HE LYS 70 1HE LYS 70 115.269 -3.155 -4.572 522 2HE LYS 70 2HE LYS 70 115.176 -4.130 -3.106 523 1HZ LYS 70 1HZ LYS 70 113.189 -3.201 -2.825 524 2HZ LYS 70 2HZ LYS 70 113.468 -2.010 -3.993 525 3HZ LYS 70 3HZ LYS 70 114.000 -1.776 -2.404 526 H LYS 71 H LYS 71 119.447 -4.777 1.197 527 HA LYS 71 HA LYS 71 118.107 -7.275 1.704 528 1HB LYS 71 1HB LYS 71 120.960 -6.367 1.481 529 2HB LYS 71 2HB LYS 71 120.583 -7.954 2.160 530 1HG LYS 71 1HG LYS 71 119.257 -8.404 0.079 531 2HG LYS 71 2HG LYS 71 119.935 -6.914 -0.581 532 1HD LYS 71 1HD LYS 71 121.596 -8.229 -1.332 533 2HD LYS 71 2HD LYS 71 122.166 -8.214 0.338 534 1HE LYS 71 1HE LYS 71 120.350 -10.276 -0.909 535 2HE LYS 71 2HE LYS 71 122.057 -10.491 -0.524 536 1HZ LYS 71 1HZ LYS 71 120.069 -9.783 1.549 537 2HZ LYS 71 2HZ LYS 71 121.617 -10.433 1.757 538 3HZ LYS 71 3HZ LYS 71 120.376 -11.392 1.123 539 H LYS 72 H LYS 72 119.641 -4.751 3.579 540 HA LYS 72 HA LYS 72 119.359 -6.318 6.019 541 1HB LYS 72 1HB LYS 72 120.636 -4.538 7.111 542 2HB LYS 72 2HB LYS 72 121.494 -5.156 5.708 543 1HG LYS 72 1HG LYS 72 121.792 -2.941 5.355 544 2HG LYS 72 2HG LYS 72 120.242 -3.137 4.529 545 1HD LYS 72 1HD LYS 72 119.354 -2.656 7.010 546 2HD LYS 72 2HD LYS 72 120.882 -1.775 7.077 547 1HE LYS 72 1HE LYS 72 119.263 -1.349 4.653 548 2HE LYS 72 2HE LYS 72 118.569 -0.731 6.151 549 1HZ LYS 72 1HZ LYS 72 121.382 -0.139 5.650 550 2HZ LYS 72 2HZ LYS 72 120.186 0.817 6.369 551 3HZ LYS 72 3HZ LYS 72 120.250 0.668 4.686 552 H ALA 73 H ALA 73 117.829 -3.948 4.175 553 HA ALA 73 HA ALA 73 116.348 -2.705 6.318 554 1HB ALA 73 1HB ALA 73 116.559 -2.398 3.373 555 2HB ALA 73 2HB ALA 73 116.671 -1.180 4.643 556 3HB ALA 73 3HB ALA 73 115.096 -1.815 4.165 557 H GLU 74 H GLU 74 116.185 -5.676 4.992 558 HA GLU 74 HA GLU 74 114.611 -7.309 5.063 559 1HB GLU 74 1HB GLU 74 112.704 -5.236 6.152 560 2HB GLU 74 2HB GLU 74 112.542 -6.980 6.264 561 1HG GLU 74 1HG GLU 74 114.495 -7.088 7.707 562 2HG GLU 74 2HG GLU 74 114.702 -5.342 7.570 563 H LEU 75 H LEU 75 114.844 -5.112 2.901 564 HA LEU 75 HA LEU 75 112.564 -6.081 1.397 565 1HB LEU 75 1HB LEU 75 112.681 -3.458 0.554 566 2HB LEU 75 2HB LEU 75 111.427 -4.186 1.549 567 HG LEU 75 HG LEU 75 113.423 -3.462 3.336 568 1HD1 LEU 75 1HD1 LEU 75 114.643 -2.055 1.949 569 2HD1 LEU 75 2HD1 LEU 75 113.527 -0.951 2.757 570 3HD1 LEU 75 3HD1 LEU 75 113.202 -1.484 1.102 571 1HD2 LEU 75 1HD2 LEU 75 111.344 -3.112 4.143 572 2HD2 LEU 75 2HD2 LEU 75 110.717 -2.566 2.587 573 3HD2 LEU 75 3HD2 LEU 75 111.659 -1.465 3.594 574 H PHE 76 H PHE 76 114.444 -7.322 0.576 575 HA PHE 76 HA PHE 76 115.492 -5.904 -1.783 576 1HB PHE 76 1HB PHE 76 117.478 -6.068 -0.570 577 2HB PHE 76 2HB PHE 76 117.046 -7.626 0.133 578 HD1 PHE 76 HD1 PHE 76 117.430 -9.678 -1.097 579 HD2 PHE 76 HD2 PHE 76 118.391 -5.896 -2.795 580 HE1 PHE 76 HE1 PHE 76 118.746 -10.801 -2.846 581 HE2 PHE 76 HE2 PHE 76 119.707 -7.012 -4.548 582 HZ PHE 76 HZ PHE 76 119.886 -9.468 -4.575 Start of MODEL 5 1 HT1 PRO 9 HT1 PRO 9 102.148 16.126 -6.582 2 HT2 PRO 9 HT2 PRO 9 103.304 15.741 -7.686 3 HA PRO 9 HA PRO 9 101.086 14.355 -6.806 4 1HB PRO 9 1HB PRO 9 101.306 13.497 -9.490 5 2HB PRO 9 2HB PRO 9 99.908 14.258 -8.720 6 1HG PRO 9 1HG PRO 9 102.067 15.482 -10.356 7 2HG PRO 9 2HG PRO 9 100.358 15.933 -10.226 8 1HD PRO 9 1HD PRO 9 102.240 17.411 -9.055 9 2HD PRO 9 2HD PRO 9 100.693 17.113 -8.239 10 H GLY 10 H GLY 10 101.637 12.138 -6.720 11 1HA GLY 10 1HA GLY 10 104.092 11.173 -7.868 12 2HA GLY 10 2HA GLY 10 104.219 11.460 -6.141 13 H LEU 11 H LEU 11 104.545 9.337 -5.656 14 HA LEU 11 HA LEU 11 102.376 7.474 -6.279 15 1HB LEU 11 1HB LEU 11 103.968 5.737 -5.551 16 2HB LEU 11 2HB LEU 11 104.512 6.658 -6.937 17 HG LEU 11 HG LEU 11 105.600 7.994 -4.744 18 1HD1 LEU 11 1HD1 LEU 11 104.920 5.795 -3.544 19 2HD1 LEU 11 2HD1 LEU 11 106.532 6.462 -3.292 20 3HD1 LEU 11 3HD1 LEU 11 106.301 5.111 -4.402 21 1HD2 LEU 11 1HD2 LEU 11 106.457 7.292 -7.110 22 2HD2 LEU 11 2HD2 LEU 11 107.141 5.924 -6.233 23 3HD2 LEU 11 3HD2 LEU 11 107.599 7.569 -5.793 24 H GLN 12 H GLN 12 101.812 5.904 -4.547 25 HA GLN 12 HA GLN 12 101.128 7.341 -2.159 26 1HB GLN 12 1HB GLN 12 100.302 4.896 -1.527 27 2HB GLN 12 2HB GLN 12 99.403 5.924 -2.630 28 1HG GLN 12 1HG GLN 12 101.451 4.117 -3.786 29 2HG GLN 12 2HG GLN 12 99.961 3.399 -3.179 30 1HE2 GLN 12 1HE2 GLN 12 101.349 4.331 -5.895 31 2HE2 GLN 12 2HE2 GLN 12 99.983 4.872 -6.803 32 H ILE 13 H ILE 13 102.038 7.267 -0.206 33 HA ILE 13 HA ILE 13 104.386 5.532 0.135 34 HB ILE 13 HB ILE 13 103.789 7.994 1.755 35 1HG1 ILE 13 1HG1 ILE 13 103.955 8.417 -0.772 36 2HG1 ILE 13 2HG1 ILE 13 105.037 9.334 0.272 37 1HG2 ILE 13 1HG2 ILE 13 105.398 6.460 2.714 38 2HG2 ILE 13 2HG2 ILE 13 106.210 7.927 2.166 39 3HG2 ILE 13 3HG2 ILE 13 106.318 6.450 1.207 40 1HD1 ILE 13 1HD1 ILE 13 106.228 8.574 -1.669 41 2HD1 ILE 13 2HD1 ILE 13 105.746 6.906 -1.355 42 3HD1 ILE 13 3HD1 ILE 13 106.837 7.734 -0.241 43 H TYR 14 H TYR 14 103.988 3.800 1.351 44 HA TYR 14 HA TYR 14 102.058 4.035 3.565 45 1HB TYR 14 1HB TYR 14 102.983 1.512 2.176 46 2HB TYR 14 2HB TYR 14 101.685 1.651 3.361 47 HD1 TYR 14 HD1 TYR 14 102.595 1.930 -0.123 48 HD2 TYR 14 HD2 TYR 14 99.587 2.865 2.738 49 HE1 TYR 14 HE1 TYR 14 100.980 2.282 -1.943 50 HE2 TYR 14 HE2 TYR 14 97.965 3.219 0.926 51 HH TYR 14 HH TYR 14 98.417 3.906 -1.840 52 HA PRO 15 HA PRO 15 104.930 3.174 6.794 53 1HB PRO 15 1HB PRO 15 103.622 0.525 7.234 54 2HB PRO 15 2HB PRO 15 103.982 1.811 8.397 55 1HG PRO 15 1HG PRO 15 101.499 1.451 7.524 56 2HG PRO 15 2HG PRO 15 102.149 3.085 7.754 57 1HD PRO 15 1HD PRO 15 101.706 1.556 5.230 58 2HD PRO 15 2HD PRO 15 101.519 3.296 5.545 59 H TYR 16 H TYR 16 106.603 1.560 7.557 60 HA TYR 16 HA TYR 16 107.858 0.392 5.240 61 1HB TYR 16 1HB TYR 16 109.346 1.588 6.585 62 2HB TYR 16 2HB TYR 16 108.678 0.931 8.075 63 HD1 TYR 16 HD1 TYR 16 109.629 -0.908 9.086 64 HD2 TYR 16 HD2 TYR 16 110.673 0.020 5.079 65 HE1 TYR 16 HE1 TYR 16 111.416 -2.604 9.170 66 HE2 TYR 16 HE2 TYR 16 112.463 -1.669 5.126 67 HH TYR 16 HH TYR 16 113.781 -2.846 7.737 68 H GLU 17 H GLU 17 107.055 -0.805 8.514 69 HA GLU 17 HA GLU 17 107.603 -3.491 8.128 70 1HB GLU 17 1HB GLU 17 106.752 -2.126 10.230 71 2HB GLU 17 2HB GLU 17 105.185 -2.738 9.719 72 1HG GLU 17 1HG GLU 17 106.708 -4.993 9.638 73 2HG GLU 17 2HG GLU 17 107.424 -4.117 10.994 74 H MET 18 H MET 18 104.919 -1.627 6.939 75 HA MET 18 HA MET 18 103.403 -3.988 6.178 76 1HB MET 18 1HB MET 18 102.943 -1.026 5.911 77 2HB MET 18 2HB MET 18 101.938 -2.184 5.050 78 1HG MET 18 1HG MET 18 102.337 -2.345 8.015 79 2HG MET 18 2HG MET 18 101.105 -1.306 7.294 80 1HE MET 18 1HE MET 18 98.404 -2.643 7.005 81 2HE MET 18 2HE MET 18 98.746 -3.529 5.519 82 3HE MET 18 3HE MET 18 99.455 -1.935 5.778 83 H LEU 19 H LEU 19 105.698 -1.788 4.847 84 HA LEU 19 HA LEU 19 105.179 -2.620 2.104 85 1HB LEU 19 1HB LEU 19 106.933 -0.549 3.378 86 2HB LEU 19 2HB LEU 19 107.127 -0.988 1.690 87 HG LEU 19 HG LEU 19 104.590 0.099 2.910 88 1HD1 LEU 19 1HD1 LEU 19 106.489 1.716 2.841 89 2HD1 LEU 19 2HD1 LEU 19 105.109 2.173 1.843 90 3HD1 LEU 19 3HD1 LEU 19 106.551 1.487 1.093 91 1HD2 LEU 19 1HD2 LEU 19 103.836 -1.046 1.099 92 2HD2 LEU 19 2HD2 LEU 19 105.365 -0.903 0.235 93 3HD2 LEU 19 3HD2 LEU 19 104.270 0.478 0.323 94 H VAL 20 H VAL 20 106.801 -3.946 4.613 95 HA VAL 20 HA VAL 20 109.354 -4.504 3.555 96 HB VAL 20 HB VAL 20 107.864 -6.321 5.445 97 1HG1 VAL 20 1HG1 VAL 20 110.305 -6.300 6.392 98 2HG1 VAL 20 2HG1 VAL 20 110.709 -5.822 4.743 99 3HG1 VAL 20 3HG1 VAL 20 109.875 -7.349 5.039 100 1HG2 VAL 20 1HG2 VAL 20 108.789 -4.915 7.256 101 2HG2 VAL 20 2HG2 VAL 20 107.574 -4.101 6.280 102 3HG2 VAL 20 3HG2 VAL 20 109.278 -3.736 6.041 103 H VAL 21 H VAL 21 110.078 -6.800 2.941 104 HA VAL 21 HA VAL 21 108.194 -7.724 0.896 105 HB VAL 21 HB VAL 21 111.132 -8.336 1.140 106 1HG1 VAL 21 1HG1 VAL 21 109.016 -9.081 -0.757 107 2HG1 VAL 21 2HG1 VAL 21 110.543 -9.881 -0.380 108 3HG1 VAL 21 3HG1 VAL 21 110.516 -8.508 -1.489 109 1HG2 VAL 21 1HG2 VAL 21 110.734 -5.921 0.943 110 2HG2 VAL 21 2HG2 VAL 21 109.769 -6.212 -0.507 111 3HG2 VAL 21 3HG2 VAL 21 111.492 -6.584 -0.509 112 H THR 22 H THR 22 110.732 -9.426 2.773 113 HA THR 22 HA THR 22 108.949 -11.761 2.808 114 HB THR 22 HB THR 22 111.944 -11.512 3.016 115 HG1 THR 22 HG1 THR 22 111.432 -11.577 0.935 116 1HG2 THR 22 1HG2 THR 22 112.035 -13.966 3.058 117 2HG2 THR 22 2HG2 THR 22 110.290 -14.010 3.306 118 3HG2 THR 22 3HG2 THR 22 111.336 -13.290 4.530 119 H ASN 23 H ASN 23 111.250 -10.073 4.897 120 HA ASN 23 HA ASN 23 111.082 -11.413 7.220 121 1HB ASN 23 1HB ASN 23 111.083 -8.414 6.874 122 2HB ASN 23 2HB ASN 23 111.466 -9.249 8.382 123 1HD2 ASN 23 1HD2 ASN 23 112.484 -8.672 5.080 124 2HD2 ASN 23 2HD2 ASN 23 114.131 -9.150 5.308 125 H LYS 24 H LYS 24 108.473 -9.547 5.846 126 HA LYS 24 HA LYS 24 106.911 -9.984 8.303 127 1HB LYS 24 1HB LYS 24 107.057 -7.763 6.399 128 2HB LYS 24 2HB LYS 24 105.411 -8.243 6.798 129 1HG LYS 24 1HG LYS 24 106.438 -6.419 8.214 130 2HG LYS 24 2HG LYS 24 105.710 -7.773 9.079 131 1HD LYS 24 1HD LYS 24 107.806 -7.214 10.123 132 2HD LYS 24 2HD LYS 24 107.975 -8.771 9.312 133 1HE LYS 24 1HE LYS 24 109.750 -7.958 8.256 134 2HE LYS 24 2HE LYS 24 108.680 -6.846 7.407 135 1HZ LYS 24 1HZ LYS 24 110.248 -6.362 9.867 136 2HZ LYS 24 2HZ LYS 24 108.949 -5.370 9.436 137 3HZ LYS 24 3HZ LYS 24 110.286 -5.504 8.409 138 H GLY 25 H GLY 25 107.388 -11.948 6.140 139 1HA GLY 25 1HA GLY 25 105.722 -13.691 5.767 140 2HA GLY 25 2HA GLY 25 104.552 -12.421 5.456 141 H ARG 26 H ARG 26 104.443 -11.471 3.455 142 HA ARG 26 HA ARG 26 106.323 -12.383 1.413 143 1HB ARG 26 1HB ARG 26 103.381 -12.341 0.813 144 2HB ARG 26 2HB ARG 26 104.673 -13.167 -0.032 145 1HG ARG 26 1HG ARG 26 103.835 -14.980 0.979 146 2HG ARG 26 2HG ARG 26 104.809 -14.421 2.339 147 1HD ARG 26 1HD ARG 26 102.937 -13.408 3.379 148 2HD ARG 26 2HD ARG 26 101.949 -13.582 1.930 149 HE ARG 26 HE ARG 26 102.404 -15.554 3.957 150 1HH1 ARG 26 1HH1 ARG 26 101.653 -15.085 0.581 151 2HH1 ARG 26 2HH1 ARG 26 100.862 -16.616 0.415 152 1HH2 ARG 26 1HH2 ARG 26 101.366 -17.570 3.741 153 2HH2 ARG 26 2HH2 ARG 26 100.699 -18.027 2.209 154 H THR 27 H THR 27 104.800 -11.160 -0.738 155 HA THR 27 HA THR 27 105.727 -8.530 -0.422 156 HB THR 27 HB THR 27 105.415 -9.705 -2.623 157 HG1 THR 27 HG1 THR 27 105.716 -7.720 -3.180 158 1HG2 THR 27 1HG2 THR 27 103.075 -10.476 -2.230 159 2HG2 THR 27 2HG2 THR 27 103.347 -9.658 -3.769 160 3HG2 THR 27 3HG2 THR 27 102.559 -8.803 -2.443 161 H LYS 28 H LYS 28 102.328 -9.636 -0.654 162 HA LYS 28 HA LYS 28 100.393 -8.574 -0.021 163 1HB LYS 28 1HB LYS 28 102.118 -8.362 2.438 164 2HB LYS 28 2HB LYS 28 100.357 -8.259 2.417 165 1HG LYS 28 1HG LYS 28 100.287 -10.449 2.698 166 2HG LYS 28 2HG LYS 28 101.015 -10.636 1.098 167 1HD LYS 28 1HD LYS 28 102.559 -11.740 2.365 168 2HD LYS 28 2HD LYS 28 103.230 -10.110 2.421 169 1HE LYS 28 1HE LYS 28 101.247 -10.819 4.505 170 2HE LYS 28 2HE LYS 28 102.820 -11.608 4.609 171 1HZ LYS 28 1HZ LYS 28 103.322 -9.744 5.743 172 2HZ LYS 28 2HZ LYS 28 102.116 -8.816 5.006 173 3HZ LYS 28 3HZ LYS 28 103.574 -9.101 4.198 174 H LEU 29 H LEU 29 102.476 -6.717 -1.153 175 HA LEU 29 HA LEU 29 102.610 -4.332 0.231 176 1HB LEU 29 1HB LEU 29 102.928 -5.220 -2.547 177 2HB LEU 29 2HB LEU 29 102.627 -3.513 -2.341 178 HG LEU 29 HG LEU 29 104.947 -3.765 -2.454 179 1HD1 LEU 29 1HD1 LEU 29 104.240 -2.237 -0.699 180 2HD1 LEU 29 2HD1 LEU 29 105.736 -3.051 -0.246 181 3HD1 LEU 29 3HD1 LEU 29 104.211 -3.561 0.463 182 1HD2 LEU 29 1HD2 LEU 29 105.872 -5.722 -2.034 183 2HD2 LEU 29 2HD2 LEU 29 104.425 -6.265 -1.187 184 3HD2 LEU 29 3HD2 LEU 29 105.687 -5.403 -0.309 185 HA PRO 30 HA PRO 30 98.587 -2.495 0.084 186 1HB PRO 30 1HB PRO 30 100.053 0.041 -0.391 187 2HB PRO 30 2HB PRO 30 98.911 -0.372 0.894 188 1HG PRO 30 1HG PRO 30 101.544 -0.170 1.366 189 2HG PRO 30 2HG PRO 30 100.533 -1.369 2.198 190 1HD PRO 30 1HD PRO 30 102.464 -1.746 -0.047 191 2HD PRO 30 2HD PRO 30 102.084 -2.821 1.310 192 HA PRO 31 HA PRO 31 97.602 -1.479 -4.116 193 1HB PRO 31 1HB PRO 31 96.667 1.257 -3.660 194 2HB PRO 31 2HB PRO 31 95.739 -0.187 -4.082 195 1HG PRO 31 1HG PRO 31 95.580 0.982 -1.649 196 2HG PRO 31 2HG PRO 31 95.392 -0.766 -1.883 197 1HD PRO 31 1HD PRO 31 97.777 0.773 -0.922 198 2HD PRO 31 2HD PRO 31 97.116 -0.767 -0.329 199 H GLY 32 H GLY 32 99.406 -1.313 -5.374 200 1HA GLY 32 1HA GLY 32 100.576 -0.005 -6.964 201 2HA GLY 32 2HA GLY 32 100.346 1.401 -5.942 202 H VAL 33 H VAL 33 101.733 -1.781 -5.107 203 HA VAL 33 HA VAL 33 104.353 -0.518 -4.820 204 HB VAL 33 HB VAL 33 104.006 -2.335 -2.655 205 1HG1 VAL 33 1HG1 VAL 33 105.380 -0.906 -1.665 206 2HG1 VAL 33 2HG1 VAL 33 104.358 0.482 -2.038 207 3HG1 VAL 33 3HG1 VAL 33 105.478 -0.144 -3.246 208 1HG2 VAL 33 1HG2 VAL 33 102.547 -0.376 -1.472 209 2HG2 VAL 33 2HG2 VAL 33 101.902 -1.916 -2.030 210 3HG2 VAL 33 3HG2 VAL 33 101.780 -0.486 -3.052 211 H ASP 34 H ASP 34 105.960 -1.687 -5.544 212 HA ASP 34 HA ASP 34 105.686 -4.598 -5.699 213 1HB ASP 34 1HB ASP 34 105.190 -3.173 -7.916 214 2HB ASP 34 2HB ASP 34 106.949 -3.251 -8.032 215 H ARG 35 H ARG 35 107.639 -5.729 -5.637 216 HA ARG 35 HA ARG 35 109.676 -4.664 -4.088 217 1HB ARG 35 1HB ARG 35 109.312 -7.112 -5.706 218 2HB ARG 35 2HB ARG 35 110.974 -6.686 -5.325 219 1HG ARG 35 1HG ARG 35 110.219 -8.175 -3.644 220 2HG ARG 35 2HG ARG 35 110.308 -6.566 -2.918 221 1HD ARG 35 1HD ARG 35 108.216 -6.892 -2.230 222 2HD ARG 35 2HD ARG 35 107.725 -6.709 -3.912 223 HE ARG 35 HE ARG 35 107.945 -9.187 -2.406 224 1HH1 ARG 35 1HH1 ARG 35 107.459 -7.670 -5.515 225 2HH1 ARG 35 2HH1 ARG 35 106.759 -9.081 -6.230 226 1HH2 ARG 35 1HH2 ARG 35 107.027 -11.038 -3.351 227 2HH2 ARG 35 2HH2 ARG 35 106.513 -10.991 -5.004 228 H MET 36 H MET 36 109.154 -4.343 -7.477 229 HA MET 36 HA MET 36 111.676 -4.043 -8.526 230 1HB MET 36 1HB MET 36 109.115 -3.604 -9.420 231 2HB MET 36 2HB MET 36 109.804 -1.987 -9.452 232 1HG MET 36 1HG MET 36 111.798 -3.339 -10.623 233 2HG MET 36 2HG MET 36 110.430 -4.352 -11.095 234 1HE MET 36 1HE MET 36 110.232 -3.389 -14.139 235 2HE MET 36 2HE MET 36 108.629 -2.862 -13.628 236 3HE MET 36 3HE MET 36 109.393 -4.248 -12.848 237 H ARG 37 H ARG 37 109.784 -1.638 -6.732 238 HA ARG 37 HA ARG 37 112.253 -0.191 -6.165 239 1HB ARG 37 1HB ARG 37 110.814 1.976 -6.594 240 2HB ARG 37 2HB ARG 37 111.700 1.205 -7.897 241 1HG ARG 37 1HG ARG 37 108.960 0.225 -7.509 242 2HG ARG 37 2HG ARG 37 109.095 1.910 -8.015 243 1HD ARG 37 1HD ARG 37 110.802 -0.014 -9.459 244 2HD ARG 37 2HD ARG 37 109.068 -0.176 -9.720 245 HE ARG 37 HE ARG 37 109.027 1.968 -10.678 246 1HH1 ARG 37 1HH1 ARG 37 112.260 1.016 -9.743 247 2HH1 ARG 37 2HH1 ARG 37 113.024 2.232 -10.709 248 1HH2 ARG 37 1HH2 ARG 37 110.039 3.559 -11.943 249 2HH2 ARG 37 2HH2 ARG 37 111.768 3.673 -11.954 250 H LEU 38 H LEU 38 110.851 -1.791 -4.419 251 HA LEU 38 HA LEU 38 108.882 -0.513 -2.917 252 1HB LEU 38 1HB LEU 38 110.739 -2.772 -2.498 253 2HB LEU 38 2HB LEU 38 110.070 -2.041 -1.044 254 HG LEU 38 HG LEU 38 108.433 -3.120 -3.342 255 1HD1 LEU 38 1HD1 LEU 38 107.867 -4.950 -1.872 256 2HD1 LEU 38 2HD1 LEU 38 108.884 -4.278 -0.597 257 3HD1 LEU 38 3HD1 LEU 38 109.616 -4.879 -2.084 258 1HD2 LEU 38 1HD2 LEU 38 107.482 -1.216 -2.001 259 2HD2 LEU 38 2HD2 LEU 38 107.511 -2.294 -0.607 260 3HD2 LEU 38 3HD2 LEU 38 106.531 -2.698 -2.015 261 H GLU 39 H GLU 39 112.341 -0.128 -2.928 262 HA GLU 39 HA GLU 39 112.422 1.348 -0.478 263 1HB GLU 39 1HB GLU 39 114.751 1.737 -0.974 264 2HB GLU 39 2HB GLU 39 114.365 0.051 -1.272 265 1HG GLU 39 1HG GLU 39 115.695 0.633 -3.058 266 2HG GLU 39 2HG GLU 39 114.064 0.758 -3.711 267 H ARG 40 H ARG 40 110.795 2.154 -3.012 268 HA ARG 40 HA ARG 40 111.707 4.953 -3.060 269 1HB ARG 40 1HB ARG 40 111.565 3.290 -5.194 270 2HB ARG 40 2HB ARG 40 109.954 3.988 -5.228 271 1HG ARG 40 1HG ARG 40 112.084 5.953 -4.859 272 2HG ARG 40 2HG ARG 40 112.174 5.070 -6.385 273 1HD ARG 40 1HD ARG 40 110.712 6.604 -7.120 274 2HD ARG 40 2HD ARG 40 109.517 5.649 -6.243 275 HE ARG 40 HE ARG 40 109.315 7.356 -4.737 276 1HH1 ARG 40 1HH1 ARG 40 112.256 7.816 -6.559 277 2HH1 ARG 40 2HH1 ARG 40 112.569 9.386 -5.896 278 1HH2 ARG 40 1HH2 ARG 40 109.724 9.420 -3.865 279 2HH2 ARG 40 2HH2 ARG 40 111.132 10.296 -4.366 280 H HIS 41 H HIS 41 109.263 2.743 -2.293 281 HA HIS 41 HA HIS 41 107.098 4.670 -2.323 282 1HB HIS 41 1HB HIS 41 107.352 1.730 -1.768 283 2HB HIS 41 2HB HIS 41 105.904 2.604 -1.300 284 HD1 HIS 41 HD1 HIS 41 104.621 3.834 -3.352 285 HD2 HIS 41 HD2 HIS 41 107.403 0.917 -4.357 286 HE1 HIS 41 HE1 HIS 41 104.117 3.212 -5.737 287 HE2 HIS 41 HE2 HIS 41 105.876 1.520 -6.354 288 H LEU 42 H LEU 42 109.624 4.088 -0.323 289 HA LEU 42 HA LEU 42 108.251 4.193 2.200 290 1HB LEU 42 1HB LEU 42 111.149 4.302 1.385 291 2HB LEU 42 2HB LEU 42 110.618 4.429 3.058 292 HG LEU 42 HG LEU 42 109.544 2.104 1.621 293 1HD1 LEU 42 1HD1 LEU 42 112.277 1.583 2.490 294 2HD1 LEU 42 2HD1 LEU 42 112.166 2.622 1.063 295 3HD1 LEU 42 3HD1 LEU 42 111.406 1.029 1.056 296 1HD2 LEU 42 1HD2 LEU 42 111.068 2.223 4.188 297 2HD2 LEU 42 2HD2 LEU 42 109.828 1.071 3.686 298 3HD2 LEU 42 3HD2 LEU 42 109.385 2.734 4.070 299 H SER 43 H SER 43 108.063 5.930 3.523 300 HA SER 43 HA SER 43 108.107 8.513 2.326 301 1HB SER 43 1HB SER 43 107.201 9.316 4.387 302 2HB SER 43 2HB SER 43 106.488 7.723 4.109 303 HG SER 43 HG SER 43 108.252 8.566 6.065 304 H ALA 44 H ALA 44 109.234 10.388 3.252 305 HA ALA 44 HA ALA 44 111.970 10.156 3.168 306 1HB ALA 44 1HB ALA 44 110.320 12.246 4.584 307 2HB ALA 44 2HB ALA 44 110.910 12.297 2.922 308 3HB ALA 44 3HB ALA 44 112.049 12.387 4.265 309 H GLU 45 H GLU 45 109.854 9.745 5.919 310 HA GLU 45 HA GLU 45 112.018 9.655 7.829 311 1HB GLU 45 1HB GLU 45 109.514 8.374 8.655 312 2HB GLU 45 2HB GLU 45 110.417 9.667 9.421 313 1HG GLU 45 1HG GLU 45 109.381 11.018 7.357 314 2HG GLU 45 2HG GLU 45 108.144 9.779 7.557 315 H ASP 46 H ASP 46 109.743 7.333 6.433 316 HA ASP 46 HA ASP 46 110.732 5.013 7.561 317 1HB ASP 46 1HB ASP 46 109.593 5.307 4.774 318 2HB ASP 46 2HB ASP 46 109.665 3.821 5.723 319 H PHE 47 H PHE 47 111.649 6.507 4.453 320 HA PHE 47 HA PHE 47 113.533 4.630 3.666 321 1HB PHE 47 1HB PHE 47 112.553 6.670 2.406 322 2HB PHE 47 2HB PHE 47 113.895 7.561 3.127 323 HD1 PHE 47 HD1 PHE 47 113.226 4.426 1.259 324 HD2 PHE 47 HD2 PHE 47 115.874 7.670 1.983 325 HE1 PHE 47 HE1 PHE 47 114.733 3.603 -0.523 326 HE2 PHE 47 HE2 PHE 47 117.375 6.859 0.209 327 HZ PHE 47 HZ PHE 47 116.802 4.826 -1.048 328 H SER 48 H SER 48 114.294 7.819 5.066 329 HA SER 48 HA SER 48 116.989 7.244 5.571 330 1HB SER 48 1HB SER 48 116.045 9.532 5.467 331 2HB SER 48 2HB SER 48 115.228 9.250 7.004 332 HG SER 48 HG SER 48 117.258 9.008 7.976 333 H ARG 49 H ARG 49 114.231 6.086 7.191 334 HA ARG 49 HA ARG 49 115.569 5.785 9.753 335 1HB ARG 49 1HB ARG 49 113.190 6.338 9.745 336 2HB ARG 49 2HB ARG 49 112.837 4.879 8.830 337 1HG ARG 49 1HG ARG 49 112.295 4.213 10.950 338 2HG ARG 49 2HG ARG 49 113.976 3.685 10.857 339 1HD ARG 49 1HD ARG 49 113.962 4.758 12.890 340 2HD ARG 49 2HD ARG 49 114.466 6.069 11.817 341 HE ARG 49 HE ARG 49 112.491 7.144 12.255 342 1HH1 ARG 49 1HH1 ARG 49 112.249 3.840 13.353 343 2HH1 ARG 49 2HH1 ARG 49 110.738 4.087 14.160 344 1HH2 ARG 49 1HH2 ARG 49 110.502 7.471 13.315 345 2HH2 ARG 49 2HH2 ARG 49 109.745 6.149 14.138 346 H VAL 50 H VAL 50 114.482 3.778 7.053 347 HA VAL 50 HA VAL 50 115.475 1.360 8.321 348 HB VAL 50 HB VAL 50 114.490 1.598 5.484 349 1HG1 VAL 50 1HG1 VAL 50 114.153 -0.710 5.572 350 2HG1 VAL 50 2HG1 VAL 50 114.263 -0.752 7.331 351 3HG1 VAL 50 3HG1 VAL 50 115.710 -0.461 6.364 352 1HG2 VAL 50 1HG2 VAL 50 112.655 0.700 7.636 353 2HG2 VAL 50 2HG2 VAL 50 112.301 1.467 6.087 354 3HG2 VAL 50 3HG2 VAL 50 112.909 2.432 7.434 355 H PHE 51 H PHE 51 116.410 3.611 5.812 356 HA PHE 51 HA PHE 51 118.720 1.941 5.129 357 1HB PHE 51 1HB PHE 51 117.462 4.302 3.737 358 2HB PHE 51 2HB PHE 51 118.948 3.522 3.203 359 HD1 PHE 51 HD1 PHE 51 115.899 3.837 2.123 360 HD2 PHE 51 HD2 PHE 51 118.338 0.690 3.591 361 HE1 PHE 51 HE1 PHE 51 114.570 2.211 0.822 362 HE2 PHE 51 HE2 PHE 51 117.027 -0.938 2.295 363 HZ PHE 51 HZ PHE 51 115.141 -0.177 0.911 364 H ALA 52 H ALA 52 117.889 5.195 6.233 365 HA ALA 52 HA ALA 52 119.123 6.534 7.663 366 1HB ALA 52 1HB ALA 52 121.650 5.103 6.941 367 2HB ALA 52 2HB ALA 52 120.532 4.459 8.143 368 3HB ALA 52 3HB ALA 52 121.277 6.039 8.389 369 H MET 53 H MET 53 119.360 6.136 4.366 370 HA MET 53 HA MET 53 120.936 8.628 4.136 371 1HB MET 53 1HB MET 53 122.103 7.859 2.377 372 2HB MET 53 2HB MET 53 121.681 6.279 3.032 373 1HG MET 53 1HG MET 53 120.157 7.726 0.881 374 2HG MET 53 2HG MET 53 121.326 6.433 0.614 375 1HE MET 53 1HE MET 53 119.716 3.299 1.635 376 2HE MET 53 2HE MET 53 121.205 4.234 1.702 377 3HE MET 53 3HE MET 53 120.370 4.022 0.164 378 H SER 54 H SER 54 120.444 9.738 1.990 379 HA SER 54 HA SER 54 117.667 10.457 2.043 380 1HB SER 54 1HB SER 54 120.107 11.389 0.552 381 2HB SER 54 2HB SER 54 118.499 11.956 0.078 382 HG SER 54 HG SER 54 118.441 13.187 1.787 383 HA PRO 55 HA PRO 55 116.052 7.854 -1.171 384 1HB PRO 55 1HB PRO 55 114.838 10.346 -2.256 385 2HB PRO 55 2HB PRO 55 114.068 8.809 -1.852 386 1HG PRO 55 1HG PRO 55 113.783 10.946 -0.276 387 2HG PRO 55 2HG PRO 55 113.937 9.314 0.404 388 1HD PRO 55 1HD PRO 55 115.943 11.518 0.288 389 2HD PRO 55 2HD PRO 55 115.693 10.278 1.537 390 H GLU 56 H GLU 56 117.730 10.821 -1.800 391 HA GLU 56 HA GLU 56 118.251 10.135 -4.577 392 1HB GLU 56 1HB GLU 56 117.888 12.408 -4.461 393 2HB GLU 56 2HB GLU 56 118.607 12.550 -2.861 394 1HG GLU 56 1HG GLU 56 119.969 13.696 -4.471 395 2HG GLU 56 2HG GLU 56 120.838 12.284 -3.862 396 H GLU 57 H GLU 57 119.599 9.499 -1.548 397 HA GLU 57 HA GLU 57 122.346 9.487 -2.411 398 1HB GLU 57 1HB GLU 57 120.905 9.115 0.141 399 2HB GLU 57 2HB GLU 57 122.300 8.064 -0.060 400 1HG GLU 57 1HG GLU 57 122.760 10.868 -0.769 401 2HG GLU 57 2HG GLU 57 122.389 10.573 0.929 402 H PHE 58 H PHE 58 119.845 7.085 -1.600 403 HA PHE 58 HA PHE 58 121.150 4.704 -1.933 404 1HB PHE 58 1HB PHE 58 118.584 5.398 -1.601 405 2HB PHE 58 2HB PHE 58 118.520 5.023 -3.321 406 HD1 PHE 58 HD1 PHE 58 118.204 3.739 -0.087 407 HD2 PHE 58 HD2 PHE 58 119.557 2.699 -3.980 408 HE1 PHE 58 HE1 PHE 58 117.932 1.355 0.463 409 HE2 PHE 58 HE2 PHE 58 119.287 0.313 -3.440 410 HZ PHE 58 HZ PHE 58 118.474 -0.365 -1.213 411 H GLY 59 H GLY 59 119.582 6.540 -4.574 412 1HA GLY 59 1HA GLY 59 120.446 4.874 -6.660 413 2HA GLY 59 2HA GLY 59 119.966 6.554 -6.838 414 H LYS 60 H LYS 60 122.148 7.291 -4.863 415 HA LYS 60 HA LYS 60 124.306 7.331 -6.846 416 1HB LYS 60 1HB LYS 60 123.666 9.096 -4.490 417 2HB LYS 60 2HB LYS 60 125.218 9.165 -5.320 418 1HG LYS 60 1HG LYS 60 123.202 9.296 -7.297 419 2HG LYS 60 2HG LYS 60 122.758 10.421 -6.008 420 1HD LYS 60 1HD LYS 60 124.578 11.752 -6.360 421 2HD LYS 60 2HD LYS 60 125.585 10.415 -6.918 422 1HE LYS 60 1HE LYS 60 124.802 10.544 -9.072 423 2HE LYS 60 2HE LYS 60 123.263 11.252 -8.583 424 1HZ LYS 60 1HZ LYS 60 125.793 12.545 -9.179 425 2HZ LYS 60 2HZ LYS 60 124.943 13.180 -7.862 426 3HZ LYS 60 3HZ LYS 60 124.211 13.111 -9.384 427 H LEU 61 H LEU 61 123.500 5.367 -4.420 428 HA LEU 61 HA LEU 61 125.963 5.304 -2.960 429 1HB LEU 61 1HB LEU 61 123.538 3.499 -3.012 430 2HB LEU 61 2HB LEU 61 124.887 3.280 -1.919 431 HG LEU 61 HG LEU 61 122.908 5.520 -1.955 432 1HD1 LEU 61 1HD1 LEU 61 122.565 4.832 0.358 433 2HD1 LEU 61 2HD1 LEU 61 123.747 3.542 0.139 434 3HD1 LEU 61 3HD1 LEU 61 122.242 3.524 -0.781 435 1HD2 LEU 61 1HD2 LEU 61 125.592 5.381 -0.621 436 2HD2 LEU 61 2HD2 LEU 61 124.284 6.388 0.000 437 3HD2 LEU 61 3HD2 LEU 61 124.926 6.675 -1.617 438 H ALA 62 H ALA 62 125.711 2.232 -3.031 439 HA ALA 62 HA ALA 62 127.051 1.799 -5.609 440 1HB ALA 62 1HB ALA 62 127.903 0.448 -3.063 441 2HB ALA 62 2HB ALA 62 128.625 1.948 -3.642 442 3HB ALA 62 3HB ALA 62 128.740 0.481 -4.614 443 H LEU 63 H LEU 63 127.406 -0.780 -5.775 444 HA LEU 63 HA LEU 63 124.727 -1.842 -5.898 445 1HB LEU 63 1HB LEU 63 126.583 -2.136 -7.628 446 2HB LEU 63 2HB LEU 63 127.266 -3.323 -6.531 447 HG LEU 63 HG LEU 63 124.452 -3.839 -7.030 448 1HD1 LEU 63 1HD1 LEU 63 124.910 -4.673 -9.387 449 2HD1 LEU 63 2HD1 LEU 63 126.303 -3.592 -9.380 450 3HD1 LEU 63 3HD1 LEU 63 124.676 -2.937 -9.181 451 1HD2 LEU 63 1HD2 LEU 63 126.560 -5.258 -6.197 452 2HD2 LEU 63 2HD2 LEU 63 126.587 -5.685 -7.909 453 3HD2 LEU 63 3HD2 LEU 63 125.141 -5.993 -6.946 454 H TRP 64 H TRP 64 127.479 -2.150 -3.829 455 HA TRP 64 HA TRP 64 126.535 -4.557 -2.549 456 1HB TRP 64 1HB TRP 64 128.529 -4.070 -1.065 457 2HB TRP 64 2HB TRP 64 128.915 -4.304 -2.777 458 HD1 TRP 64 HD1 TRP 64 130.017 -2.282 -4.024 459 HE1 TRP 64 HE1 TRP 64 130.721 0.083 -3.308 460 HE3 TRP 64 HE3 TRP 64 127.731 -2.170 0.417 461 HZ2 TRP 64 HZ2 TRP 64 130.329 1.778 -1.032 462 HZ3 TRP 64 HZ3 TRP 64 127.933 -0.140 1.838 463 HH2 TRP 64 HH2 TRP 64 129.193 1.785 1.112 464 H LYS 65 H LYS 65 126.610 -1.119 -2.188 465 HA LYS 65 HA LYS 65 125.685 -1.023 0.512 466 1HB LYS 65 1HB LYS 65 126.829 0.830 -0.961 467 2HB LYS 65 2HB LYS 65 125.174 1.189 -1.446 468 1HG LYS 65 1HG LYS 65 124.550 1.820 0.712 469 2HG LYS 65 2HG LYS 65 125.950 1.026 1.445 470 1HD LYS 65 1HD LYS 65 127.433 2.686 0.582 471 2HD LYS 65 2HD LYS 65 126.156 3.391 -0.416 472 1HE LYS 65 1HE LYS 65 126.743 4.622 1.727 473 2HE LYS 65 2HE LYS 65 125.031 4.267 1.458 474 1HZ LYS 65 1HZ LYS 65 126.036 3.799 3.753 475 2HZ LYS 65 2HZ LYS 65 126.722 2.431 3.034 476 3HZ LYS 65 3HZ LYS 65 125.041 2.617 3.063 477 H ARG 66 H ARG 66 124.028 -0.127 -2.529 478 HA ARG 66 HA ARG 66 121.451 0.096 -1.644 479 1HB ARG 66 1HB ARG 66 122.412 -1.176 -4.212 480 2HB ARG 66 2HB ARG 66 120.752 -0.685 -3.912 481 1HG ARG 66 1HG ARG 66 121.436 1.617 -3.692 482 2HG ARG 66 2HG ARG 66 123.127 1.150 -3.883 483 1HD ARG 66 1HD ARG 66 121.249 0.303 -6.011 484 2HD ARG 66 2HD ARG 66 121.615 2.030 -5.911 485 HE ARG 66 HE ARG 66 123.429 -0.109 -6.661 486 1HH1 ARG 66 1HH1 ARG 66 123.079 3.240 -5.729 487 2HH1 ARG 66 2HH1 ARG 66 124.598 3.714 -6.412 488 1HH2 ARG 66 1HH2 ARG 66 125.424 0.517 -7.553 489 2HH2 ARG 66 2HH2 ARG 66 125.929 2.170 -7.444 490 H ASN 67 H ASN 67 123.170 -2.834 -2.536 491 HA ASN 67 HA ASN 67 121.057 -4.656 -2.183 492 1HB ASN 67 1HB ASN 67 123.996 -4.807 -2.385 493 2HB ASN 67 2HB ASN 67 123.250 -6.134 -1.492 494 1HD2 ASN 67 1HD2 ASN 67 123.151 -4.366 -4.540 495 2HD2 ASN 67 2HD2 ASN 67 122.578 -5.687 -5.495 496 H GLU 68 H GLU 68 123.767 -4.074 0.057 497 HA GLU 68 HA GLU 68 122.833 -5.432 2.243 498 1HB GLU 68 1HB GLU 68 125.034 -3.985 1.769 499 2HB GLU 68 2HB GLU 68 124.168 -2.834 2.777 500 1HG GLU 68 1HG GLU 68 125.500 -4.029 4.265 501 2HG GLU 68 2HG GLU 68 123.898 -4.744 4.438 502 H LEU 69 H LEU 69 121.974 -2.171 1.190 503 HA LEU 69 HA LEU 69 120.537 -1.441 3.511 504 1HB LEU 69 1HB LEU 69 119.987 -0.509 0.702 505 2HB LEU 69 2HB LEU 69 119.585 0.314 2.194 506 HG LEU 69 HG LEU 69 122.410 -0.269 1.567 507 1HD1 LEU 69 1HD1 LEU 69 121.826 2.371 0.790 508 2HD1 LEU 69 2HD1 LEU 69 120.698 1.311 -0.051 509 3HD1 LEU 69 3HD1 LEU 69 122.436 1.052 -0.206 510 1HD2 LEU 69 1HD2 LEU 69 120.963 1.824 3.161 511 2HD2 LEU 69 2HD2 LEU 69 122.698 1.863 2.845 512 3HD2 LEU 69 3HD2 LEU 69 121.998 0.532 3.769 513 H LYS 70 H LYS 70 119.313 -2.369 0.327 514 HA LYS 70 HA LYS 70 116.647 -2.842 1.118 515 1HB LYS 70 1HB LYS 70 118.353 -3.527 -1.211 516 2HB LYS 70 2HB LYS 70 116.912 -4.510 -0.982 517 1HG LYS 70 1HG LYS 70 115.493 -2.597 -1.129 518 2HG LYS 70 2HG LYS 70 116.881 -1.504 -1.098 519 1HD LYS 70 1HD LYS 70 117.403 -1.888 -3.278 520 2HD LYS 70 2HD LYS 70 116.832 -3.558 -3.234 521 1HE LYS 70 1HE LYS 70 114.862 -1.328 -2.999 522 2HE LYS 70 2HE LYS 70 115.523 -1.731 -4.584 523 1HZ LYS 70 1HZ LYS 70 114.377 -3.643 -4.668 524 2HZ LYS 70 2HZ LYS 70 113.377 -2.906 -3.520 525 3HZ LYS 70 3HZ LYS 70 114.582 -3.984 -3.023 526 H LYS 71 H LYS 71 119.538 -4.630 1.552 527 HA LYS 71 HA LYS 71 118.226 -7.161 2.036 528 1HB LYS 71 1HB LYS 71 121.082 -6.202 2.049 529 2HB LYS 71 2HB LYS 71 120.651 -7.792 2.686 530 1HG LYS 71 1HG LYS 71 119.841 -8.507 0.574 531 2HG LYS 71 2HG LYS 71 119.919 -6.868 -0.078 532 1HD LYS 71 1HD LYS 71 121.909 -7.493 -0.902 533 2HD LYS 71 2HD LYS 71 122.496 -7.289 0.749 534 1HE LYS 71 1HE LYS 71 121.835 -9.710 1.125 535 2HE LYS 71 2HE LYS 71 121.639 -9.824 -0.623 536 1HZ LYS 71 1HZ LYS 71 124.063 -9.664 0.961 537 2HZ LYS 71 2HZ LYS 71 124.066 -8.741 -0.455 538 3HZ LYS 71 3HZ LYS 71 123.792 -10.408 -0.534 539 H LYS 72 H LYS 72 119.424 -4.459 3.851 540 HA LYS 72 HA LYS 72 119.118 -5.880 6.375 541 1HB LYS 72 1HB LYS 72 121.141 -4.526 6.124 542 2HB LYS 72 2HB LYS 72 120.164 -3.106 5.779 543 1HG LYS 72 1HG LYS 72 119.207 -4.024 8.218 544 2HG LYS 72 2HG LYS 72 120.958 -4.235 8.317 545 1HD LYS 72 1HD LYS 72 120.267 -2.029 9.131 546 2HD LYS 72 2HD LYS 72 121.288 -1.901 7.699 547 1HE LYS 72 1HE LYS 72 118.690 -2.053 6.708 548 2HE LYS 72 2HE LYS 72 118.569 -1.002 8.119 549 1HZ LYS 72 1HZ LYS 72 119.135 0.512 6.542 550 2HZ LYS 72 2HZ LYS 72 120.020 -0.591 5.613 551 3HZ LYS 72 3HZ LYS 72 120.692 0.057 7.024 552 H ALA 73 H ALA 73 117.589 -3.682 4.283 553 HA ALA 73 HA ALA 73 115.799 -2.511 6.211 554 1HB ALA 73 1HB ALA 73 116.245 -2.326 3.274 555 2HB ALA 73 2HB ALA 73 116.210 -1.045 4.487 556 3HB ALA 73 3HB ALA 73 114.703 -1.780 3.935 557 H GLU 74 H GLU 74 115.974 -5.551 5.119 558 HA GLU 74 HA GLU 74 114.518 -7.283 5.009 559 1HB GLU 74 1HB GLU 74 112.522 -5.275 6.072 560 2HB GLU 74 2HB GLU 74 112.285 -7.014 6.018 561 1HG GLU 74 1HG GLU 74 114.000 -7.379 7.623 562 2HG GLU 74 2HG GLU 74 114.517 -5.697 7.537 563 H LEU 75 H LEU 75 114.764 -5.103 2.868 564 HA LEU 75 HA LEU 75 112.604 -6.140 1.226 565 1HB LEU 75 1HB LEU 75 112.783 -3.541 0.325 566 2HB LEU 75 2HB LEU 75 111.467 -4.229 1.265 567 HG LEU 75 HG LEU 75 113.493 -3.414 3.059 568 1HD1 LEU 75 1HD1 LEU 75 113.305 -0.905 2.493 569 2HD1 LEU 75 2HD1 LEU 75 112.959 -1.467 0.852 570 3HD1 LEU 75 3HD1 LEU 75 114.490 -1.885 1.626 571 1HD2 LEU 75 1HD2 LEU 75 111.531 -1.604 3.384 572 2HD2 LEU 75 2HD2 LEU 75 111.449 -3.257 3.991 573 3HD2 LEU 75 3HD2 LEU 75 110.672 -2.840 2.463 574 H PHE 76 H PHE 76 114.629 -7.374 0.658 575 HA PHE 76 HA PHE 76 115.881 -6.015 -1.639 576 1HB PHE 76 1HB PHE 76 117.798 -6.198 -0.429 577 2HB PHE 76 2HB PHE 76 117.160 -7.489 0.587 578 HD1 PHE 76 HD1 PHE 76 118.938 -6.669 -2.495 579 HD2 PHE 76 HD2 PHE 76 117.405 -9.811 -0.069 580 HE1 PHE 76 HE1 PHE 76 120.286 -8.295 -3.757 581 HE2 PHE 76 HE2 PHE 76 118.751 -11.444 -1.325 582 HZ PHE 76 HZ PHE 76 120.195 -10.686 -3.171 Start of MODEL 6 1 HT1 PRO 9 HT1 PRO 9 100.831 14.355 -8.736 2 HT2 PRO 9 HT2 PRO 9 101.772 14.073 -7.416 3 HA PRO 9 HA PRO 9 102.207 13.374 -9.885 4 1HB PRO 9 1HB PRO 9 104.535 15.083 -9.525 5 2HB PRO 9 2HB PRO 9 103.492 14.895 -10.940 6 1HG PRO 9 1HG PRO 9 103.506 17.136 -9.409 7 2HG PRO 9 2HG PRO 9 102.071 16.567 -10.282 8 1HD PRO 9 1HD PRO 9 102.777 16.238 -7.380 9 2HD PRO 9 2HD PRO 9 101.223 16.683 -8.111 10 H GLY 10 H GLY 10 102.126 12.119 -7.530 11 1HA GLY 10 1HA GLY 10 104.860 11.122 -7.253 12 2HA GLY 10 2HA GLY 10 104.079 11.718 -5.798 13 H LEU 11 H LEU 11 104.558 9.498 -5.120 14 HA LEU 11 HA LEU 11 102.449 7.650 -6.007 15 1HB LEU 11 1HB LEU 11 103.972 5.843 -5.230 16 2HB LEU 11 2HB LEU 11 104.530 6.727 -6.636 17 HG LEU 11 HG LEU 11 105.695 8.069 -4.500 18 1HD1 LEU 11 1HD1 LEU 11 104.903 5.818 -3.314 19 2HD1 LEU 11 2HD1 LEU 11 106.418 6.626 -2.910 20 3HD1 LEU 11 3HD1 LEU 11 106.421 5.245 -4.007 21 1HD2 LEU 11 1HD2 LEU 11 107.144 5.874 -5.894 22 2HD2 LEU 11 2HD2 LEU 11 107.660 7.525 -5.546 23 3HD2 LEU 11 3HD2 LEU 11 106.501 7.216 -6.840 24 H GLN 12 H GLN 12 101.783 6.068 -4.332 25 HA GLN 12 HA GLN 12 101.104 7.466 -1.919 26 1HB GLN 12 1HB GLN 12 100.264 4.901 -1.462 27 2HB GLN 12 2HB GLN 12 99.311 6.154 -2.241 28 1HG GLN 12 1HG GLN 12 99.205 4.093 -3.495 29 2HG GLN 12 2HG GLN 12 100.032 5.334 -4.431 30 1HE2 GLN 12 1HE2 GLN 12 100.164 2.204 -3.228 31 2HE2 GLN 12 2HE2 GLN 12 101.816 1.856 -3.597 32 H ILE 13 H ILE 13 101.935 7.281 0.063 33 HA ILE 13 HA ILE 13 104.213 5.455 0.413 34 HB ILE 13 HB ILE 13 103.679 7.918 2.053 35 1HG1 ILE 13 1HG1 ILE 13 103.946 8.310 -0.498 36 2HG1 ILE 13 2HG1 ILE 13 104.945 9.246 0.608 37 1HG2 ILE 13 1HG2 ILE 13 106.167 6.300 1.546 38 2HG2 ILE 13 2HG2 ILE 13 105.202 6.300 3.023 39 3HG2 ILE 13 3HG2 ILE 13 106.072 7.756 2.539 40 1HD1 ILE 13 1HD1 ILE 13 105.807 6.806 -0.923 41 2HD1 ILE 13 2HD1 ILE 13 106.809 7.716 0.208 42 3HD1 ILE 13 3HD1 ILE 13 106.242 8.478 -1.279 43 H TYR 14 H TYR 14 104.153 3.952 1.989 44 HA TYR 14 HA TYR 14 102.055 4.157 4.047 45 1HB TYR 14 1HB TYR 14 102.952 1.524 2.888 46 2HB TYR 14 2HB TYR 14 101.511 1.870 3.837 47 HD1 TYR 14 HD1 TYR 14 103.051 2.914 0.589 48 HD2 TYR 14 HD2 TYR 14 99.507 1.922 2.724 49 HE1 TYR 14 HE1 TYR 14 101.750 3.145 -1.470 50 HE2 TYR 14 HE2 TYR 14 98.193 2.151 0.660 51 HH TYR 14 HH TYR 14 98.439 3.406 -1.548 52 HA PRO 15 HA PRO 15 104.897 3.187 7.289 53 1HB PRO 15 1HB PRO 15 103.712 0.462 7.585 54 2HB PRO 15 2HB PRO 15 104.006 1.701 8.814 55 1HG PRO 15 1HG PRO 15 101.547 1.272 7.908 56 2HG PRO 15 2HG PRO 15 102.118 2.922 8.221 57 1HD PRO 15 1HD PRO 15 101.766 1.494 5.622 58 2HD PRO 15 2HD PRO 15 101.485 3.205 6.018 59 H TYR 16 H TYR 16 106.639 1.601 7.968 60 HA TYR 16 HA TYR 16 107.945 0.633 5.585 61 1HB TYR 16 1HB TYR 16 109.438 1.758 6.946 62 2HB TYR 16 2HB TYR 16 108.736 1.113 8.427 63 HD1 TYR 16 HD1 TYR 16 110.838 0.207 5.503 64 HD2 TYR 16 HD2 TYR 16 109.640 -0.754 9.462 65 HE1 TYR 16 HE1 TYR 16 112.629 -1.476 5.609 66 HE2 TYR 16 HE2 TYR 16 111.428 -2.443 9.601 67 HH TYR 16 HH TYR 16 113.607 -2.895 8.536 68 H GLU 17 H GLU 17 107.299 -0.820 8.788 69 HA GLU 17 HA GLU 17 107.968 -3.417 8.332 70 1HB GLU 17 1HB GLU 17 105.916 -2.105 10.032 71 2HB GLU 17 2HB GLU 17 105.779 -3.846 9.826 72 1HG GLU 17 1HG GLU 17 108.065 -4.124 10.636 73 2HG GLU 17 2HG GLU 17 108.203 -2.376 10.842 74 H MET 18 H MET 18 104.756 -2.019 7.621 75 HA MET 18 HA MET 18 103.701 -4.385 6.485 76 1HB MET 18 1HB MET 18 102.863 -1.563 5.815 77 2HB MET 18 2HB MET 18 101.889 -3.022 5.702 78 1HG MET 18 1HG MET 18 102.159 -3.232 8.209 79 2HG MET 18 2HG MET 18 102.809 -1.589 8.174 80 1HE MET 18 1HE MET 18 99.652 -0.123 9.353 81 2HE MET 18 2HE MET 18 101.386 -0.392 9.521 82 3HE MET 18 3HE MET 18 100.246 -1.618 10.073 83 H LEU 19 H LEU 19 105.675 -1.817 5.254 84 HA LEU 19 HA LEU 19 105.341 -2.609 2.487 85 1HB LEU 19 1HB LEU 19 106.758 -0.419 3.931 86 2HB LEU 19 2HB LEU 19 107.196 -0.779 2.270 87 HG LEU 19 HG LEU 19 104.438 -0.007 3.224 88 1HD1 LEU 19 1HD1 LEU 19 106.112 1.670 1.425 89 2HD1 LEU 19 2HD1 LEU 19 106.430 1.705 3.159 90 3HD1 LEU 19 3HD1 LEU 19 104.835 2.141 2.546 91 1HD2 LEU 19 1HD2 LEU 19 104.070 -1.291 1.350 92 2HD2 LEU 19 2HD2 LEU 19 105.585 -0.804 0.589 93 3HD2 LEU 19 3HD2 LEU 19 104.230 0.325 0.662 94 H VAL 20 H VAL 20 106.948 -4.071 4.864 95 HA VAL 20 HA VAL 20 109.594 -4.231 3.803 96 HB VAL 20 HB VAL 20 108.257 -6.163 5.692 97 1HG1 VAL 20 1HG1 VAL 20 110.624 -6.407 6.501 98 2HG1 VAL 20 2HG1 VAL 20 111.116 -5.570 5.030 99 3HG1 VAL 20 3HG1 VAL 20 110.274 -7.119 4.923 100 1HG2 VAL 20 1HG2 VAL 20 108.906 -4.841 7.488 101 2HG2 VAL 20 2HG2 VAL 20 108.246 -3.692 6.326 102 3HG2 VAL 20 3HG2 VAL 20 109.989 -3.867 6.495 103 H VAL 21 H VAL 21 110.565 -6.339 3.031 104 HA VAL 21 HA VAL 21 108.745 -7.441 1.019 105 HB VAL 21 HB VAL 21 111.740 -7.713 1.069 106 1HG1 VAL 21 1HG1 VAL 21 109.579 -8.476 -0.767 107 2HG1 VAL 21 2HG1 VAL 21 111.196 -9.149 -0.572 108 3HG1 VAL 21 3HG1 VAL 21 110.961 -7.687 -1.529 109 1HG2 VAL 21 1HG2 VAL 21 110.343 -5.689 -0.613 110 2HG2 VAL 21 2HG2 VAL 21 112.009 -5.720 -0.050 111 3HG2 VAL 21 3HG2 VAL 21 110.712 -5.305 1.065 112 H THR 22 H THR 22 111.560 -8.812 2.762 113 HA THR 22 HA THR 22 110.387 -11.449 2.461 114 HB THR 22 HB THR 22 112.780 -10.981 1.959 115 HG1 THR 22 HG1 THR 22 113.316 -12.953 2.567 116 1HG2 THR 22 1HG2 THR 22 113.351 -9.492 3.780 117 2HG2 THR 22 2HG2 THR 22 114.385 -10.920 3.792 118 3HG2 THR 22 3HG2 THR 22 113.059 -10.782 4.946 119 H ASN 23 H ASN 23 109.997 -9.146 4.770 120 HA ASN 23 HA ASN 23 109.982 -11.102 6.960 121 1HB ASN 23 1HB ASN 23 109.848 -8.087 7.091 122 2HB ASN 23 2HB ASN 23 109.936 -9.181 8.473 123 1HD2 ASN 23 1HD2 ASN 23 111.661 -8.419 5.459 124 2HD2 ASN 23 2HD2 ASN 23 113.243 -8.649 6.110 125 H LYS 24 H LYS 24 107.873 -9.764 4.764 126 HA LYS 24 HA LYS 24 105.607 -10.072 6.623 127 1HB LYS 24 1HB LYS 24 105.534 -8.471 4.069 128 2HB LYS 24 2HB LYS 24 104.384 -8.438 5.402 129 1HG LYS 24 1HG LYS 24 107.215 -7.439 5.473 130 2HG LYS 24 2HG LYS 24 105.756 -6.450 5.408 131 1HD LYS 24 1HD LYS 24 105.339 -6.707 7.609 132 2HD LYS 24 2HD LYS 24 105.824 -8.402 7.601 133 1HE LYS 24 1HE LYS 24 108.217 -7.265 7.242 134 2HE LYS 24 2HE LYS 24 107.418 -5.970 8.129 135 1HZ LYS 24 1HZ LYS 24 107.261 -7.223 10.002 136 2HZ LYS 24 2HZ LYS 24 108.666 -7.908 9.355 137 3HZ LYS 24 3HZ LYS 24 107.179 -8.693 9.169 138 H GLY 25 H GLY 25 107.005 -12.130 5.006 139 1HA GLY 25 1HA GLY 25 105.862 -14.121 4.268 140 2HA GLY 25 2HA GLY 25 104.633 -13.092 3.547 141 H ARG 26 H ARG 26 105.058 -12.047 1.574 142 HA ARG 26 HA ARG 26 107.515 -12.865 0.186 143 1HB ARG 26 1HB ARG 26 105.964 -13.038 -1.911 144 2HB ARG 26 2HB ARG 26 106.109 -14.403 -0.816 145 1HG ARG 26 1HG ARG 26 103.867 -14.384 -0.954 146 2HG ARG 26 2HG ARG 26 104.016 -13.151 0.298 147 1HD ARG 26 1HD ARG 26 102.805 -11.870 -1.082 148 2HD ARG 26 2HD ARG 26 104.314 -11.681 -1.971 149 HE ARG 26 HE ARG 26 103.566 -13.275 -3.544 150 1HH1 ARG 26 1HH1 ARG 26 101.145 -12.537 -1.130 151 2HH1 ARG 26 2HH1 ARG 26 99.842 -13.173 -2.073 152 1HH2 ARG 26 1HH2 ARG 26 101.848 -14.110 -4.772 153 2HH2 ARG 26 2HH2 ARG 26 100.237 -14.066 -4.134 154 H THR 27 H THR 27 104.589 -10.888 -0.057 155 HA THR 27 HA THR 27 106.194 -8.552 -0.442 156 HB THR 27 HB THR 27 105.898 -9.447 -2.755 157 HG1 THR 27 HG1 THR 27 105.321 -7.461 -3.611 158 1HG2 THR 27 1HG2 THR 27 103.952 -9.868 -3.737 159 2HG2 THR 27 2HG2 THR 27 103.148 -8.498 -2.974 160 3HG2 THR 27 3HG2 THR 27 103.334 -10.014 -2.099 161 H LYS 28 H LYS 28 102.836 -9.707 -0.683 162 HA LYS 28 HA LYS 28 100.889 -8.816 0.107 163 1HB LYS 28 1HB LYS 28 102.856 -8.907 2.346 164 2HB LYS 28 2HB LYS 28 101.203 -8.380 2.633 165 1HG LYS 28 1HG LYS 28 101.181 -10.647 3.149 166 2HG LYS 28 2HG LYS 28 100.504 -10.567 1.521 167 1HD LYS 28 1HD LYS 28 102.830 -11.033 0.657 168 2HD LYS 28 2HD LYS 28 103.297 -11.362 2.322 169 1HE LYS 28 1HE LYS 28 100.891 -12.792 1.716 170 2HE LYS 28 2HE LYS 28 102.097 -13.127 0.476 171 1HZ LYS 28 1HZ LYS 28 102.126 -14.633 2.460 172 2HZ LYS 28 2HZ LYS 28 102.678 -13.322 3.375 173 3HZ LYS 28 3HZ LYS 28 103.609 -13.907 2.090 174 H LEU 29 H LEU 29 102.846 -6.775 -0.996 175 HA LEU 29 HA LEU 29 102.838 -4.434 0.484 176 1HB LEU 29 1HB LEU 29 103.158 -5.209 -2.334 177 2HB LEU 29 2HB LEU 29 102.736 -3.536 -2.063 178 HG LEU 29 HG LEU 29 105.076 -3.646 -2.256 179 1HD1 LEU 29 1HD1 LEU 29 104.366 -2.137 -0.528 180 2HD1 LEU 29 2HD1 LEU 29 105.855 -2.926 -0.017 181 3HD1 LEU 29 3HD1 LEU 29 104.316 -3.443 0.652 182 1HD2 LEU 29 1HD2 LEU 29 106.159 -5.516 -1.834 183 2HD2 LEU 29 2HD2 LEU 29 104.760 -6.173 -0.988 184 3HD2 LEU 29 3HD2 LEU 29 105.954 -5.222 -0.109 185 HA PRO 30 HA PRO 30 98.652 -2.948 0.426 186 1HB PRO 30 1HB PRO 30 99.269 -0.240 0.156 187 2HB PRO 30 2HB PRO 30 99.151 -1.113 1.687 188 1HG PRO 30 1HG PRO 30 101.561 -0.368 0.105 189 2HG PRO 30 2HG PRO 30 101.347 -0.445 1.864 190 1HD PRO 30 1HD PRO 30 102.680 -2.346 0.493 191 2HD PRO 30 2HD PRO 30 101.710 -2.726 1.932 192 HA PRO 31 HA PRO 31 97.499 -1.985 -3.736 193 1HB PRO 31 1HB PRO 31 96.387 0.684 -3.187 194 2HB PRO 31 2HB PRO 31 95.567 -0.791 -3.716 195 1HG PRO 31 1HG PRO 31 95.259 0.184 -1.230 196 2HG PRO 31 2HG PRO 31 95.271 -1.558 -1.559 197 1HD PRO 31 1HD PRO 31 97.457 0.182 -0.475 198 2HD PRO 31 2HD PRO 31 96.960 -1.448 0.032 199 H GLY 32 H GLY 32 99.256 -1.688 -5.035 200 1HA GLY 32 1HA GLY 32 100.272 -0.295 -6.659 201 2HA GLY 32 2HA GLY 32 99.975 1.089 -5.624 202 H VAL 33 H VAL 33 101.632 -1.978 -4.851 203 HA VAL 33 HA VAL 33 104.157 -0.514 -4.663 204 HB VAL 33 HB VAL 33 104.050 -2.327 -2.480 205 1HG1 VAL 33 1HG1 VAL 33 104.550 0.569 -2.888 206 2HG1 VAL 33 2HG1 VAL 33 105.668 -0.707 -2.404 207 3HG1 VAL 33 3HG1 VAL 33 104.473 -0.100 -1.259 208 1HG2 VAL 33 1HG2 VAL 33 101.537 -1.315 -2.839 209 2HG2 VAL 33 2HG2 VAL 33 102.259 -0.162 -1.721 210 3HG2 VAL 33 3HG2 VAL 33 102.211 -1.878 -1.315 211 H ASP 34 H ASP 34 105.828 -1.559 -5.431 212 HA ASP 34 HA ASP 34 105.767 -4.482 -5.595 213 1HB ASP 34 1HB ASP 34 105.015 -3.298 -7.774 214 2HB ASP 34 2HB ASP 34 106.713 -2.850 -7.940 215 H ARG 35 H ARG 35 107.806 -5.468 -5.613 216 HA ARG 35 HA ARG 35 109.800 -4.274 -4.107 217 1HB ARG 35 1HB ARG 35 109.669 -6.683 -5.854 218 2HB ARG 35 2HB ARG 35 111.251 -6.145 -5.306 219 1HG ARG 35 1HG ARG 35 110.376 -7.836 -3.822 220 2HG ARG 35 2HG ARG 35 110.484 -6.285 -2.981 221 1HD ARG 35 1HD ARG 35 108.396 -7.192 -2.371 222 2HD ARG 35 2HD ARG 35 108.041 -5.956 -3.577 223 HE ARG 35 HE ARG 35 107.153 -7.589 -4.888 224 1HH1 ARG 35 1HH1 ARG 35 109.369 -9.085 -2.646 225 2HH1 ARG 35 2HH1 ARG 35 109.004 -10.696 -3.164 226 1HH2 ARG 35 1HH2 ARG 35 106.672 -9.708 -5.573 227 2HH2 ARG 35 2HH2 ARG 35 107.474 -11.050 -4.827 228 H MET 36 H MET 36 109.149 -3.912 -7.467 229 HA MET 36 HA MET 36 111.579 -3.412 -8.619 230 1HB MET 36 1HB MET 36 109.012 -1.870 -9.030 231 2HB MET 36 2HB MET 36 110.397 -1.824 -10.112 232 1HG MET 36 1HG MET 36 108.856 -4.319 -9.442 233 2HG MET 36 2HG MET 36 108.556 -3.310 -10.860 234 1HE MET 36 1HE MET 36 111.719 -3.610 -12.939 235 2HE MET 36 2HE MET 36 110.505 -2.503 -12.297 236 3HE MET 36 3HE MET 36 110.011 -3.885 -13.275 237 H ARG 37 H ARG 37 109.690 -1.196 -6.596 238 HA ARG 37 HA ARG 37 112.118 0.324 -6.068 239 1HB ARG 37 1HB ARG 37 110.673 2.467 -6.365 240 2HB ARG 37 2HB ARG 37 111.399 1.714 -7.775 241 1HG ARG 37 1HG ARG 37 108.698 0.775 -7.088 242 2HG ARG 37 2HG ARG 37 108.818 2.454 -7.616 243 1HD ARG 37 1HD ARG 37 110.224 0.343 -9.179 244 2HD ARG 37 2HD ARG 37 108.477 0.507 -9.348 245 HE ARG 37 HE ARG 37 109.927 2.979 -9.634 246 1HH1 ARG 37 1HH1 ARG 37 108.704 0.155 -11.284 247 2HH1 ARG 37 2HH1 ARG 37 108.667 0.924 -12.835 248 1HH2 ARG 37 1HH2 ARG 37 109.879 3.989 -11.674 249 2HH2 ARG 37 2HH2 ARG 37 109.336 3.100 -13.058 250 H LEU 38 H LEU 38 110.761 -1.426 -4.376 251 HA LEU 38 HA LEU 38 108.843 -0.271 -2.730 252 1HB LEU 38 1HB LEU 38 110.759 -2.504 -2.510 253 2HB LEU 38 2HB LEU 38 110.146 -1.867 -0.988 254 HG LEU 38 HG LEU 38 108.414 -2.834 -3.266 255 1HD1 LEU 38 1HD1 LEU 38 108.972 -4.179 -0.631 256 2HD1 LEU 38 2HD1 LEU 38 109.735 -4.628 -2.156 257 3HD1 LEU 38 3HD1 LEU 38 107.990 -4.792 -1.960 258 1HD2 LEU 38 1HD2 LEU 38 106.583 -2.515 -1.837 259 2HD2 LEU 38 2HD2 LEU 38 107.537 -1.041 -1.709 260 3HD2 LEU 38 3HD2 LEU 38 107.615 -2.255 -0.433 261 H GLU 39 H GLU 39 112.360 -0.044 -2.628 262 HA GLU 39 HA GLU 39 112.499 1.375 -0.184 263 1HB GLU 39 1HB GLU 39 114.780 1.648 -0.617 264 2HB GLU 39 2HB GLU 39 114.377 0.127 -1.397 265 1HG GLU 39 1HG GLU 39 114.639 2.788 -2.779 266 2HG GLU 39 2HG GLU 39 115.852 1.509 -2.765 267 H ARG 40 H ARG 40 110.877 2.307 -2.791 268 HA ARG 40 HA ARG 40 111.663 5.132 -2.546 269 1HB ARG 40 1HB ARG 40 111.628 3.611 -4.818 270 2HB ARG 40 2HB ARG 40 110.037 4.356 -4.867 271 1HG ARG 40 1HG ARG 40 111.746 6.443 -4.229 272 2HG ARG 40 2HG ARG 40 112.634 5.495 -5.423 273 1HD ARG 40 1HD ARG 40 110.598 5.555 -6.868 274 2HD ARG 40 2HD ARG 40 109.873 6.669 -5.709 275 HE ARG 40 HE ARG 40 112.210 7.873 -6.317 276 1HH1 ARG 40 1HH1 ARG 40 109.636 6.574 -8.283 277 2HH1 ARG 40 2HH1 ARG 40 109.886 7.699 -9.576 278 1HH2 ARG 40 1HH2 ARG 40 112.541 9.353 -8.015 279 2HH2 ARG 40 2HH2 ARG 40 111.536 9.277 -9.424 280 H HIS 41 H HIS 41 109.327 2.813 -1.926 281 HA HIS 41 HA HIS 41 107.051 4.610 -1.998 282 1HB HIS 41 1HB HIS 41 107.485 1.687 -1.527 283 2HB HIS 41 2HB HIS 41 106.008 2.438 -0.950 284 HD1 HIS 41 HD1 HIS 41 104.708 3.859 -2.971 285 HD2 HIS 41 HD2 HIS 41 107.291 0.792 -4.060 286 HE1 HIS 41 HE1 HIS 41 104.075 3.250 -5.328 287 HE2 HIS 41 HE2 HIS 41 105.719 1.464 -5.999 288 H LEU 42 H LEU 42 109.567 4.094 0.051 289 HA LEU 42 HA LEU 42 108.147 4.154 2.548 290 1HB LEU 42 1HB LEU 42 111.054 4.340 1.781 291 2HB LEU 42 2HB LEU 42 110.491 4.424 3.446 292 HG LEU 42 HG LEU 42 109.462 2.103 2.001 293 1HD1 LEU 42 1HD1 LEU 42 112.180 1.493 2.733 294 2HD1 LEU 42 2HD1 LEU 42 112.122 2.716 1.455 295 3HD1 LEU 42 3HD1 LEU 42 111.312 1.166 1.230 296 1HD2 LEU 42 1HD2 LEU 42 109.971 1.016 4.033 297 2HD2 LEU 42 2HD2 LEU 42 109.326 2.607 4.433 298 3HD2 LEU 42 3HD2 LEU 42 111.063 2.312 4.523 299 H SER 43 H SER 43 107.937 5.877 3.902 300 HA SER 43 HA SER 43 107.909 8.468 2.724 301 1HB SER 43 1HB SER 43 107.603 8.982 5.376 302 2HB SER 43 2HB SER 43 106.289 8.461 4.316 303 HG SER 43 HG SER 43 107.768 6.976 6.190 304 H ALA 44 H ALA 44 109.056 10.343 3.493 305 HA ALA 44 HA ALA 44 111.790 10.137 3.446 306 1HB ALA 44 1HB ALA 44 110.546 12.246 3.158 307 2HB ALA 44 2HB ALA 44 111.889 12.409 4.291 308 3HB ALA 44 3HB ALA 44 110.238 12.281 4.895 309 H GLU 45 H GLU 45 109.661 9.733 6.165 310 HA GLU 45 HA GLU 45 111.772 9.785 8.135 311 1HB GLU 45 1HB GLU 45 109.320 8.391 8.921 312 2HB GLU 45 2HB GLU 45 110.114 9.764 9.666 313 1HG GLU 45 1HG GLU 45 109.077 11.020 7.578 314 2HG GLU 45 2HG GLU 45 107.936 9.679 7.668 315 H ASP 46 H ASP 46 109.678 7.352 6.670 316 HA ASP 46 HA ASP 46 110.718 5.079 7.863 317 1HB ASP 46 1HB ASP 46 109.150 5.679 5.444 318 2HB ASP 46 2HB ASP 46 110.050 4.163 5.382 319 H PHE 47 H PHE 47 111.619 6.467 4.689 320 HA PHE 47 HA PHE 47 113.647 4.690 4.067 321 1HB PHE 47 1HB PHE 47 112.592 6.632 2.691 322 2HB PHE 47 2HB PHE 47 113.897 7.598 3.385 323 HD1 PHE 47 HD1 PHE 47 113.280 4.427 1.561 324 HD2 PHE 47 HD2 PHE 47 115.955 7.636 2.358 325 HE1 PHE 47 HE1 PHE 47 114.832 3.574 -0.167 326 HE2 PHE 47 HE2 PHE 47 117.503 6.792 0.640 327 HZ PHE 47 HZ PHE 47 116.934 4.762 -0.628 328 H SER 48 H SER 48 114.086 7.940 5.466 329 HA SER 48 HA SER 48 116.813 7.636 6.017 330 1HB SER 48 1HB SER 48 116.613 9.631 7.364 331 2HB SER 48 2HB SER 48 115.578 9.811 5.948 332 HG SER 48 HG SER 48 114.897 9.944 8.512 333 H ARG 49 H ARG 49 114.119 6.237 7.563 334 HA ARG 49 HA ARG 49 115.472 5.925 10.119 335 1HB ARG 49 1HB ARG 49 113.071 6.411 10.113 336 2HB ARG 49 2HB ARG 49 112.769 4.945 9.189 337 1HG ARG 49 1HG ARG 49 112.417 3.963 11.151 338 2HG ARG 49 2HG ARG 49 114.167 4.019 11.366 339 1HD ARG 49 1HD ARG 49 113.525 6.496 12.187 340 2HD ARG 49 2HD ARG 49 112.040 5.643 12.620 341 HE ARG 49 HE ARG 49 113.186 4.552 14.280 342 1HH1 ARG 49 1HH1 ARG 49 115.474 6.090 12.140 343 2HH1 ARG 49 2HH1 ARG 49 116.834 5.776 13.165 344 1HH2 ARG 49 1HH2 ARG 49 114.974 4.139 15.629 345 2HH2 ARG 49 2HH2 ARG 49 116.550 4.669 15.146 346 H VAL 50 H VAL 50 114.642 4.038 7.275 347 HA VAL 50 HA VAL 50 115.606 1.587 8.530 348 HB VAL 50 HB VAL 50 114.729 1.824 5.663 349 1HG1 VAL 50 1HG1 VAL 50 114.442 -0.497 7.548 350 2HG1 VAL 50 2HG1 VAL 50 115.902 -0.224 6.596 351 3HG1 VAL 50 3HG1 VAL 50 114.356 -0.492 5.786 352 1HG2 VAL 50 1HG2 VAL 50 113.067 2.599 7.658 353 2HG2 VAL 50 2HG2 VAL 50 112.737 0.870 7.601 354 3HG2 VAL 50 3HG2 VAL 50 112.535 1.853 6.151 355 H PHE 51 H PHE 51 116.501 3.830 5.948 356 HA PHE 51 HA PHE 51 118.959 2.285 5.498 357 1HB PHE 51 1HB PHE 51 117.748 4.506 3.841 358 2HB PHE 51 2HB PHE 51 119.189 3.581 3.426 359 HD1 PHE 51 HD1 PHE 51 115.886 3.947 2.674 360 HD2 PHE 51 HD2 PHE 51 118.685 0.891 3.612 361 HE1 PHE 51 HE1 PHE 51 114.491 2.311 1.474 362 HE2 PHE 51 HE2 PHE 51 117.293 -0.754 2.410 363 HZ PHE 51 HZ PHE 51 115.204 -0.033 1.336 364 H ALA 52 H ALA 52 117.803 5.487 6.423 365 HA ALA 52 HA ALA 52 118.854 7.144 7.619 366 1HB ALA 52 1HB ALA 52 121.476 5.746 7.500 367 2HB ALA 52 2HB ALA 52 120.198 5.098 8.528 368 3HB ALA 52 3HB ALA 52 120.795 6.739 8.789 369 H MET 53 H MET 53 119.008 6.575 4.615 370 HA MET 53 HA MET 53 120.925 8.707 3.970 371 1HB MET 53 1HB MET 53 120.944 7.174 1.721 372 2HB MET 53 2HB MET 53 122.175 7.137 2.979 373 1HG MET 53 1HG MET 53 121.462 5.147 3.824 374 2HG MET 53 2HG MET 53 119.790 5.408 3.324 375 1HE MET 53 1HE MET 53 119.229 5.725 0.828 376 2HE MET 53 2HE MET 53 119.927 4.739 -0.457 377 3HE MET 53 3HE MET 53 120.722 6.229 0.033 378 H SER 54 H SER 54 120.472 9.785 1.944 379 HA SER 54 HA SER 54 117.736 10.521 1.792 380 1HB SER 54 1HB SER 54 119.471 12.158 1.379 381 2HB SER 54 2HB SER 54 120.105 11.197 0.036 382 HG SER 54 HG SER 54 117.634 12.581 0.189 383 HA PRO 55 HA PRO 55 116.042 7.585 -1.083 384 1HB PRO 55 1HB PRO 55 114.779 10.026 -2.255 385 2HB PRO 55 2HB PRO 55 114.037 8.490 -1.796 386 1HG PRO 55 1HG PRO 55 113.759 10.659 -0.266 387 2HG PRO 55 2HG PRO 55 113.953 9.046 0.451 388 1HD PRO 55 1HD PRO 55 115.903 11.287 0.270 389 2HD PRO 55 2HD PRO 55 115.735 10.028 1.512 390 H GLU 56 H GLU 56 117.530 10.597 -2.055 391 HA GLU 56 HA GLU 56 117.947 9.780 -4.786 392 1HB GLU 56 1HB GLU 56 119.036 11.875 -5.083 393 2HB GLU 56 2HB GLU 56 117.675 12.177 -4.009 394 1HG GLU 56 1HG GLU 56 119.529 11.745 -2.162 395 2HG GLU 56 2HG GLU 56 120.584 12.287 -3.471 396 H GLU 57 H GLU 57 119.706 9.810 -1.763 397 HA GLU 57 HA GLU 57 122.287 9.331 -2.671 398 1HB GLU 57 1HB GLU 57 120.851 8.659 -0.102 399 2HB GLU 57 2HB GLU 57 122.449 7.990 -0.408 400 1HG GLU 57 1HG GLU 57 122.139 10.885 -0.854 401 2HG GLU 57 2HG GLU 57 122.040 10.321 0.812 402 H PHE 58 H PHE 58 119.790 6.940 -1.777 403 HA PHE 58 HA PHE 58 121.038 4.555 -2.234 404 1HB PHE 58 1HB PHE 58 118.477 5.288 -1.793 405 2HB PHE 58 2HB PHE 58 118.352 4.853 -3.494 406 HD1 PHE 58 HD1 PHE 58 118.435 3.655 -0.128 407 HD2 PHE 58 HD2 PHE 58 119.078 2.511 -4.177 408 HE1 PHE 58 HE1 PHE 58 118.172 1.299 0.506 409 HE2 PHE 58 HE2 PHE 58 118.812 0.147 -3.549 410 HZ PHE 58 HZ PHE 58 118.358 -0.465 -1.205 411 H GLY 59 H GLY 59 119.136 6.168 -4.798 412 1HA GLY 59 1HA GLY 59 119.963 4.593 -6.915 413 2HA GLY 59 2HA GLY 59 119.443 6.263 -7.071 414 H LYS 60 H LYS 60 121.748 7.065 -5.270 415 HA LYS 60 HA LYS 60 123.747 7.129 -7.408 416 1HB LYS 60 1HB LYS 60 123.473 8.833 -4.926 417 2HB LYS 60 2HB LYS 60 124.726 9.021 -6.151 418 1HG LYS 60 1HG LYS 60 122.748 9.287 -7.793 419 2HG LYS 60 2HG LYS 60 121.800 9.605 -6.335 420 1HD LYS 60 1HD LYS 60 123.177 11.471 -5.764 421 2HD LYS 60 2HD LYS 60 124.338 11.074 -7.032 422 1HE LYS 60 1HE LYS 60 122.145 11.314 -8.533 423 2HE LYS 60 2HE LYS 60 121.690 12.392 -7.215 424 1HZ LYS 60 1HZ LYS 60 122.797 13.632 -8.925 425 2HZ LYS 60 2HZ LYS 60 124.131 12.591 -8.893 426 3HZ LYS 60 3HZ LYS 60 123.799 13.580 -7.561 427 H LEU 61 H LEU 61 123.153 5.212 -4.834 428 HA LEU 61 HA LEU 61 125.766 5.142 -3.669 429 1HB LEU 61 1HB LEU 61 123.330 3.374 -3.394 430 2HB LEU 61 2HB LEU 61 124.788 3.175 -2.448 431 HG LEU 61 HG LEU 61 122.794 5.388 -2.318 432 1HD1 LEU 61 1HD1 LEU 61 123.758 3.204 -0.596 433 2HD1 LEU 61 2HD1 LEU 61 122.138 3.871 -0.793 434 3HD1 LEU 61 3HD1 LEU 61 123.332 4.724 0.188 435 1HD2 LEU 61 1HD2 LEU 61 124.336 6.518 -0.736 436 2HD2 LEU 61 2HD2 LEU 61 124.920 6.518 -2.400 437 3HD2 LEU 61 3HD2 LEU 61 125.602 5.392 -1.226 438 H ALA 62 H ALA 62 125.454 2.077 -3.605 439 HA ALA 62 HA ALA 62 126.489 1.528 -6.298 440 1HB ALA 62 1HB ALA 62 127.590 0.241 -3.819 441 2HB ALA 62 2HB ALA 62 128.269 1.711 -4.512 442 3HB ALA 62 3HB ALA 62 128.256 0.218 -5.450 443 H LEU 63 H LEU 63 126.584 -0.902 -6.719 444 HA LEU 63 HA LEU 63 123.960 -1.952 -6.396 445 1HB LEU 63 1HB LEU 63 125.593 -2.298 -8.327 446 2HB LEU 63 2HB LEU 63 126.359 -3.507 -7.315 447 HG LEU 63 HG LEU 63 123.505 -3.950 -7.452 448 1HD1 LEU 63 1HD1 LEU 63 124.961 -3.466 -9.995 449 2HD1 LEU 63 2HD1 LEU 63 123.272 -3.168 -9.579 450 3HD1 LEU 63 3HD1 LEU 63 123.821 -4.809 -9.923 451 1HD2 LEU 63 1HD2 LEU 63 125.667 -5.429 -6.942 452 2HD2 LEU 63 2HD2 LEU 63 125.462 -5.815 -8.651 453 3HD2 LEU 63 3HD2 LEU 63 124.149 -6.122 -7.516 454 H TRP 64 H TRP 64 126.941 -2.372 -4.659 455 HA TRP 64 HA TRP 64 126.046 -4.754 -3.302 456 1HB TRP 64 1HB TRP 64 128.204 -4.369 -2.035 457 2HB TRP 64 2HB TRP 64 128.395 -4.588 -3.780 458 HD1 TRP 64 HD1 TRP 64 129.445 -2.595 -5.109 459 HE1 TRP 64 HE1 TRP 64 130.322 -0.276 -4.445 460 HE3 TRP 64 HE3 TRP 64 127.648 -2.464 -0.453 461 HZ2 TRP 64 HZ2 TRP 64 130.246 1.399 -2.118 462 HZ3 TRP 64 HZ3 TRP 64 128.085 -0.469 0.966 463 HH2 TRP 64 HH2 TRP 64 129.344 1.416 0.135 464 H LYS 65 H LYS 65 126.331 -1.325 -2.866 465 HA LYS 65 HA LYS 65 125.661 -1.299 -0.088 466 1HB LYS 65 1HB LYS 65 126.775 0.565 -1.524 467 2HB LYS 65 2HB LYS 65 125.120 1.005 -1.941 468 1HG LYS 65 1HG LYS 65 124.604 1.640 0.224 469 2HG LYS 65 2HG LYS 65 125.928 0.700 0.922 470 1HD LYS 65 1HD LYS 65 127.537 2.267 0.281 471 2HD LYS 65 2HD LYS 65 126.467 3.013 -0.912 472 1HE LYS 65 1HE LYS 65 126.893 4.283 1.273 473 2HE LYS 65 2HE LYS 65 125.220 4.120 0.725 474 1HZ LYS 65 1HZ LYS 65 124.690 2.811 2.460 475 2HZ LYS 65 2HZ LYS 65 126.021 3.551 3.196 476 3HZ LYS 65 3HZ LYS 65 126.188 2.023 2.489 477 H ARG 66 H ARG 66 123.785 -0.272 -2.957 478 HA ARG 66 HA ARG 66 121.309 0.061 -1.844 479 1HB ARG 66 1HB ARG 66 122.010 -1.198 -4.499 480 2HB ARG 66 2HB ARG 66 120.388 -0.688 -4.054 481 1HG ARG 66 1HG ARG 66 121.245 1.606 -3.740 482 2HG ARG 66 2HG ARG 66 122.816 1.053 -4.320 483 1HD ARG 66 1HD ARG 66 120.593 0.347 -6.083 484 2HD ARG 66 2HD ARG 66 120.815 2.090 -5.876 485 HE ARG 66 HE ARG 66 123.267 0.725 -6.432 486 1HH1 ARG 66 1HH1 ARG 66 120.403 2.088 -7.888 487 2HH1 ARG 66 2HH1 ARG 66 121.161 2.362 -9.422 488 1HH2 ARG 66 1HH2 ARG 66 124.265 1.084 -8.448 489 2HH2 ARG 66 2HH2 ARG 66 123.354 1.791 -9.739 490 H ASN 67 H ASN 67 122.840 -2.924 -2.860 491 HA ASN 67 HA ASN 67 120.702 -4.680 -2.321 492 1HB ASN 67 1HB ASN 67 123.624 -4.928 -2.730 493 2HB ASN 67 2HB ASN 67 122.881 -6.232 -1.803 494 1HD2 ASN 67 1HD2 ASN 67 122.368 -4.344 -4.762 495 2HD2 ASN 67 2HD2 ASN 67 121.810 -5.674 -5.716 496 H GLU 68 H GLU 68 123.631 -4.230 -0.354 497 HA GLU 68 HA GLU 68 122.866 -5.487 1.940 498 1HB GLU 68 1HB GLU 68 124.898 -3.623 1.174 499 2HB GLU 68 2HB GLU 68 124.278 -3.168 2.756 500 1HG GLU 68 1HG GLU 68 125.951 -4.599 3.348 501 2HG GLU 68 2HG GLU 68 124.585 -5.711 3.275 502 H LEU 69 H LEU 69 122.032 -2.195 0.936 503 HA LEU 69 HA LEU 69 120.852 -1.399 3.373 504 1HB LEU 69 1HB LEU 69 120.051 -0.474 0.622 505 2HB LEU 69 2HB LEU 69 119.818 0.374 2.139 506 HG LEU 69 HG LEU 69 122.555 -0.306 1.272 507 1HD1 LEU 69 1HD1 LEU 69 122.482 0.974 -0.529 508 2HD1 LEU 69 2HD1 LEU 69 121.980 2.333 0.470 509 3HD1 LEU 69 3HD1 LEU 69 120.770 1.278 -0.252 510 1HD2 LEU 69 1HD2 LEU 69 121.260 1.384 3.258 511 2HD2 LEU 69 2HD2 LEU 69 122.546 2.200 2.366 512 3HD2 LEU 69 3HD2 LEU 69 122.887 0.704 3.238 513 H LYS 70 H LYS 70 119.279 -2.339 0.345 514 HA LYS 70 HA LYS 70 116.699 -2.702 1.419 515 1HB LYS 70 1HB LYS 70 118.105 -3.423 -1.068 516 2HB LYS 70 2HB LYS 70 116.758 -4.474 -0.654 517 1HG LYS 70 1HG LYS 70 115.215 -2.697 -0.711 518 2HG LYS 70 2HG LYS 70 116.502 -1.485 -0.737 519 1HD LYS 70 1HD LYS 70 115.721 -1.588 -2.952 520 2HD LYS 70 2HD LYS 70 117.211 -2.534 -2.953 521 1HE LYS 70 1HE LYS 70 115.568 -4.521 -2.452 522 2HE LYS 70 2HE LYS 70 114.377 -3.439 -3.173 523 1HZ LYS 70 1HZ LYS 70 116.614 -4.831 -4.413 524 2HZ LYS 70 2HZ LYS 70 116.303 -3.267 -4.975 525 3HZ LYS 70 3HZ LYS 70 115.093 -4.446 -5.046 526 H LYS 71 H LYS 71 119.550 -4.593 1.592 527 HA LYS 71 HA LYS 71 118.195 -7.036 2.338 528 1HB LYS 71 1HB LYS 71 121.060 -6.207 1.937 529 2HB LYS 71 2HB LYS 71 120.673 -7.723 2.757 530 1HG LYS 71 1HG LYS 71 119.237 -8.263 0.741 531 2HG LYS 71 2HG LYS 71 120.028 -6.901 -0.053 532 1HD LYS 71 1HD LYS 71 121.394 -9.338 1.099 533 2HD LYS 71 2HD LYS 71 121.140 -9.001 -0.614 534 1HE LYS 71 1HE LYS 71 123.068 -7.901 -0.655 535 2HE LYS 71 2HE LYS 71 122.406 -6.735 0.488 536 1HZ LYS 71 1HZ LYS 71 123.620 -9.292 1.355 537 2HZ LYS 71 2HZ LYS 71 123.275 -7.929 2.296 538 3HZ LYS 71 3HZ LYS 71 124.527 -7.878 1.161 539 H LYS 72 H LYS 72 119.661 -4.300 3.864 540 HA LYS 72 HA LYS 72 119.630 -5.582 6.477 541 1HB LYS 72 1HB LYS 72 121.619 -4.281 5.977 542 2HB LYS 72 2HB LYS 72 120.639 -2.878 5.578 543 1HG LYS 72 1HG LYS 72 120.039 -3.798 8.237 544 2HG LYS 72 2HG LYS 72 121.774 -3.518 8.047 545 1HD LYS 72 1HD LYS 72 121.260 -1.376 8.494 546 2HD LYS 72 2HD LYS 72 120.726 -1.325 6.813 547 1HE LYS 72 1HE LYS 72 119.065 -0.409 8.414 548 2HE LYS 72 2HE LYS 72 118.455 -1.762 7.462 549 1HZ LYS 72 1HZ LYS 72 118.321 -3.092 9.267 550 2HZ LYS 72 2HZ LYS 72 118.163 -1.615 10.077 551 3HZ LYS 72 3HZ LYS 72 119.660 -2.401 10.037 552 H ALA 73 H ALA 73 117.837 -3.564 4.439 553 HA ALA 73 HA ALA 73 116.261 -2.298 6.512 554 1HB ALA 73 1HB ALA 73 116.509 -2.116 3.563 555 2HB ALA 73 2HB ALA 73 116.430 -0.832 4.769 556 3HB ALA 73 3HB ALA 73 114.958 -1.670 4.272 557 H GLU 74 H GLU 74 116.381 -5.347 5.508 558 HA GLU 74 HA GLU 74 114.965 -7.113 5.576 559 1HB GLU 74 1HB GLU 74 113.352 -5.004 6.944 560 2HB GLU 74 2HB GLU 74 112.573 -6.511 6.507 561 1HG GLU 74 1HG GLU 74 113.316 -7.336 8.420 562 2HG GLU 74 2HG GLU 74 114.935 -7.296 7.722 563 H LEU 75 H LEU 75 114.869 -4.823 3.396 564 HA LEU 75 HA LEU 75 112.602 -6.014 1.993 565 1HB LEU 75 1HB LEU 75 112.844 -3.517 0.840 566 2HB LEU 75 2HB LEU 75 111.573 -4.059 1.924 567 HG LEU 75 HG LEU 75 113.742 -3.180 3.504 568 1HD1 LEU 75 1HD1 LEU 75 113.170 -1.447 1.134 569 2HD1 LEU 75 2HD1 LEU 75 114.722 -1.855 1.873 570 3HD1 LEU 75 3HD1 LEU 75 113.625 -0.735 2.687 571 1HD2 LEU 75 1HD2 LEU 75 111.725 -2.860 4.490 572 2HD2 LEU 75 2HD2 LEU 75 110.923 -2.478 2.965 573 3HD2 LEU 75 3HD2 LEU 75 111.903 -1.256 3.777 574 H PHE 76 H PHE 76 114.471 -7.427 1.373 575 HA PHE 76 HA PHE 76 115.295 -6.585 -1.292 576 1HB PHE 76 1HB PHE 76 117.270 -6.025 -0.023 577 2HB PHE 76 2HB PHE 76 117.272 -7.602 0.764 578 HD1 PHE 76 HD1 PHE 76 117.703 -9.643 -0.647 579 HD2 PHE 76 HD2 PHE 76 118.316 -5.685 -2.084 580 HE1 PHE 76 HE1 PHE 76 119.135 -10.521 -2.444 581 HE2 PHE 76 HE2 PHE 76 119.748 -6.555 -3.884 582 HZ PHE 76 HZ PHE 76 120.159 -8.977 -4.066 Start of MODEL 7 1 HT1 PRO 9 HT1 PRO 9 101.080 14.317 -8.770 2 HT2 PRO 9 HT2 PRO 9 101.661 12.818 -8.414 3 HA PRO 9 HA PRO 9 103.008 14.991 -8.862 4 1HB PRO 9 1HB PRO 9 103.869 14.575 -6.121 5 2HB PRO 9 2HB PRO 9 103.453 16.084 -6.945 6 1HG PRO 9 1HG PRO 9 101.902 14.977 -5.003 7 2HG PRO 9 2HG PRO 9 101.255 15.977 -6.315 8 1HD PRO 9 1HD PRO 9 101.303 12.985 -6.058 9 2HD PRO 9 2HD PRO 9 99.985 14.042 -6.604 10 H GLY 10 H GLY 10 103.058 12.123 -6.750 11 1HA GLY 10 1HA GLY 10 105.257 11.055 -8.378 12 2HA GLY 10 2HA GLY 10 105.477 11.162 -6.638 13 H LEU 11 H LEU 11 105.264 9.281 -5.711 14 HA LEU 11 HA LEU 11 103.196 7.445 -6.708 15 1HB LEU 11 1HB LEU 11 104.903 5.821 -5.356 16 2HB LEU 11 2HB LEU 11 104.899 6.054 -7.094 17 HG LEU 11 HG LEU 11 106.564 8.036 -6.443 18 1HD1 LEU 11 1HD1 LEU 11 106.708 6.084 -4.169 19 2HD1 LEU 11 2HD1 LEU 11 106.581 7.843 -4.106 20 3HD1 LEU 11 3HD1 LEU 11 108.082 7.085 -4.638 21 1HD2 LEU 11 1HD2 LEU 11 108.278 6.695 -7.226 22 2HD2 LEU 11 2HD2 LEU 11 106.843 5.888 -7.858 23 3HD2 LEU 11 3HD2 LEU 11 107.654 5.253 -6.425 24 H GLN 12 H GLN 12 102.394 5.901 -5.040 25 HA GLN 12 HA GLN 12 101.573 7.386 -2.726 26 1HB GLN 12 1HB GLN 12 100.656 4.859 -2.234 27 2HB GLN 12 2HB GLN 12 99.788 6.086 -3.141 28 1HG GLN 12 1HG GLN 12 101.661 4.226 -4.540 29 2HG GLN 12 2HG GLN 12 100.036 3.701 -4.101 30 1HE2 GLN 12 1HE2 GLN 12 100.313 3.558 -6.614 31 2HE2 GLN 12 2HE2 GLN 12 99.659 4.902 -7.480 32 H ILE 13 H ILE 13 102.467 7.433 -0.803 33 HA ILE 13 HA ILE 13 104.636 5.559 -0.195 34 HB ILE 13 HB ILE 13 103.917 8.069 1.310 35 1HG1 ILE 13 1HG1 ILE 13 104.471 8.382 -1.182 36 2HG1 ILE 13 2HG1 ILE 13 105.404 9.318 -0.018 37 1HG2 ILE 13 1HG2 ILE 13 106.304 7.926 2.008 38 2HG2 ILE 13 2HG2 ILE 13 106.386 6.350 1.222 39 3HG2 ILE 13 3HG2 ILE 13 105.299 6.598 2.589 40 1HD1 ILE 13 1HD1 ILE 13 106.292 6.804 -1.410 41 2HD1 ILE 13 2HD1 ILE 13 107.223 7.680 -0.194 42 3HD1 ILE 13 3HD1 ILE 13 106.846 8.447 -1.738 43 H TYR 14 H TYR 14 104.325 3.956 1.230 44 HA TYR 14 HA TYR 14 102.113 4.222 3.165 45 1HB TYR 14 1HB TYR 14 102.947 1.480 2.473 46 2HB TYR 14 2HB TYR 14 101.330 2.146 2.696 47 HD1 TYR 14 HD1 TYR 14 104.140 1.965 0.275 48 HD2 TYR 14 HD2 TYR 14 99.972 2.599 0.835 49 HE1 TYR 14 HE1 TYR 14 103.813 1.910 -2.160 50 HE2 TYR 14 HE2 TYR 14 99.633 2.549 -1.601 51 HH TYR 14 HH TYR 14 100.679 1.773 -3.590 52 HA PRO 15 HA PRO 15 104.657 3.155 6.610 53 1HB PRO 15 1HB PRO 15 103.408 0.474 6.897 54 2HB PRO 15 2HB PRO 15 103.536 1.790 8.074 55 1HG PRO 15 1HG PRO 15 101.214 1.244 6.882 56 2HG PRO 15 2HG PRO 15 101.703 2.917 7.210 57 1HD PRO 15 1HD PRO 15 101.744 1.397 4.635 58 2HD PRO 15 2HD PRO 15 101.335 3.101 4.935 59 H TYR 16 H TYR 16 106.316 1.609 7.445 60 HA TYR 16 HA TYR 16 107.742 0.450 5.219 61 1HB TYR 16 1HB TYR 16 109.151 1.662 6.627 62 2HB TYR 16 2HB TYR 16 108.383 1.047 8.089 63 HD1 TYR 16 HD1 TYR 16 109.076 -0.982 9.080 64 HD2 TYR 16 HD2 TYR 16 110.760 0.261 5.386 65 HE1 TYR 16 HE1 TYR 16 110.838 -2.689 9.318 66 HE2 TYR 16 HE2 TYR 16 112.528 -1.436 5.594 67 HH TYR 16 HH TYR 16 112.412 -3.902 8.023 68 H GLU 17 H GLU 17 106.775 -0.734 8.450 69 HA GLU 17 HA GLU 17 107.405 -3.396 8.183 70 1HB GLU 17 1HB GLU 17 105.148 -2.028 9.635 71 2HB GLU 17 2HB GLU 17 105.339 -3.775 9.697 72 1HG GLU 17 1HG GLU 17 107.862 -2.631 10.256 73 2HG GLU 17 2HG GLU 17 106.659 -1.773 11.224 74 H MET 18 H MET 18 104.764 -1.668 6.694 75 HA MET 18 HA MET 18 103.481 -4.117 5.787 76 1HB MET 18 1HB MET 18 102.857 -1.192 5.577 77 2HB MET 18 2HB MET 18 102.085 -2.323 4.475 78 1HG MET 18 1HG MET 18 101.988 -3.090 7.304 79 2HG MET 18 2HG MET 18 101.107 -1.615 6.893 80 1HE MET 18 1HE MET 18 100.127 -5.905 6.080 81 2HE MET 18 2HE MET 18 101.652 -5.212 6.631 82 3HE MET 18 3HE MET 18 101.326 -5.367 4.905 83 H LEU 19 H LEU 19 105.605 -1.618 4.639 84 HA LEU 19 HA LEU 19 105.464 -2.411 1.874 85 1HB LEU 19 1HB LEU 19 106.912 -0.360 3.468 86 2HB LEU 19 2HB LEU 19 107.537 -0.775 1.881 87 HG LEU 19 HG LEU 19 104.761 0.259 2.464 88 1HD1 LEU 19 1HD1 LEU 19 105.439 2.347 1.760 89 2HD1 LEU 19 2HD1 LEU 19 106.851 1.719 0.911 90 3HD1 LEU 19 3HD1 LEU 19 106.845 1.801 2.673 91 1HD2 LEU 19 1HD2 LEU 19 105.929 -1.073 0.188 92 2HD2 LEU 19 2HD2 LEU 19 105.358 0.542 -0.231 93 3HD2 LEU 19 3HD2 LEU 19 104.251 -0.624 0.495 94 H VAL 20 H VAL 20 107.025 -3.660 4.566 95 HA VAL 20 HA VAL 20 109.596 -4.240 3.616 96 HB VAL 20 HB VAL 20 108.038 -6.056 5.450 97 1HG1 VAL 20 1HG1 VAL 20 110.421 -5.974 6.531 98 2HG1 VAL 20 2HG1 VAL 20 110.908 -5.521 4.898 99 3HG1 VAL 20 3HG1 VAL 20 110.082 -7.054 5.176 100 1HG2 VAL 20 1HG2 VAL 20 107.616 -4.015 6.424 101 2HG2 VAL 20 2HG2 VAL 20 109.164 -3.337 5.941 102 3HG2 VAL 20 3HG2 VAL 20 109.088 -4.524 7.242 103 H VAL 21 H VAL 21 110.360 -6.574 3.115 104 HA VAL 21 HA VAL 21 108.623 -7.526 0.958 105 HB VAL 21 HB VAL 21 111.531 -8.146 1.436 106 1HG1 VAL 21 1HG1 VAL 21 109.572 -8.865 -0.667 107 2HG1 VAL 21 2HG1 VAL 21 110.939 -9.778 -0.026 108 3HG1 VAL 21 3HG1 VAL 21 111.213 -8.475 -1.183 109 1HG2 VAL 21 1HG2 VAL 21 110.424 -6.166 -0.533 110 2HG2 VAL 21 2HG2 VAL 21 112.104 -6.418 -0.068 111 3HG2 VAL 21 3HG2 VAL 21 110.970 -5.707 1.080 112 H THR 22 H THR 22 111.002 -9.198 3.055 113 HA THR 22 HA THR 22 109.212 -11.526 3.009 114 HB THR 22 HB THR 22 112.180 -11.297 3.477 115 HG1 THR 22 HG1 THR 22 112.236 -11.679 1.436 116 1HG2 THR 22 1HG2 THR 22 111.974 -13.158 4.713 117 2HG2 THR 22 2HG2 THR 22 111.776 -13.940 3.145 118 3HG2 THR 22 3HG2 THR 22 110.358 -13.513 4.103 119 H ASN 23 H ASN 23 111.567 -10.142 5.261 120 HA ASN 23 HA ASN 23 111.145 -11.372 7.554 121 1HB ASN 23 1HB ASN 23 111.254 -8.365 7.312 122 2HB ASN 23 2HB ASN 23 111.650 -9.300 8.758 123 1HD2 ASN 23 1HD2 ASN 23 112.618 -8.491 5.503 124 2HD2 ASN 23 2HD2 ASN 23 114.254 -9.030 5.649 125 H LYS 24 H LYS 24 108.755 -9.159 6.195 126 HA LYS 24 HA LYS 24 107.102 -9.508 8.586 127 1HB LYS 24 1HB LYS 24 107.270 -7.483 6.447 128 2HB LYS 24 2HB LYS 24 105.648 -7.828 7.044 129 1HG LYS 24 1HG LYS 24 106.302 -6.117 8.428 130 2HG LYS 24 2HG LYS 24 106.743 -7.532 9.386 131 1HD LYS 24 1HD LYS 24 108.760 -6.402 7.515 132 2HD LYS 24 2HD LYS 24 108.433 -5.534 9.015 133 1HE LYS 24 1HE LYS 24 108.798 -8.429 9.322 134 2HE LYS 24 2HE LYS 24 110.224 -7.567 8.743 135 1HZ LYS 24 1HZ LYS 24 109.597 -7.819 11.315 136 2HZ LYS 24 2HZ LYS 24 108.830 -6.348 10.981 137 3HZ LYS 24 3HZ LYS 24 110.489 -6.519 10.700 138 H GLY 25 H GLY 25 107.520 -11.655 6.596 139 1HA GLY 25 1HA GLY 25 105.810 -13.365 6.331 140 2HA GLY 25 2HA GLY 25 104.674 -12.085 5.933 141 H ARG 26 H ARG 26 104.734 -11.130 3.880 142 HA ARG 26 HA ARG 26 106.542 -12.262 1.906 143 1HB ARG 26 1HB ARG 26 103.591 -12.245 1.333 144 2HB ARG 26 2HB ARG 26 104.871 -13.107 0.507 145 1HG ARG 26 1HG ARG 26 103.879 -14.822 1.636 146 2HG ARG 26 2HG ARG 26 105.121 -14.346 2.793 147 1HD ARG 26 1HD ARG 26 103.371 -12.859 3.859 148 2HD ARG 26 2HD ARG 26 102.186 -13.674 2.842 149 HE ARG 26 HE ARG 26 103.379 -14.679 5.223 150 1HH1 ARG 26 1HH1 ARG 26 102.129 -15.653 2.114 151 2HH1 ARG 26 2HH1 ARG 26 101.746 -17.260 2.632 152 1HH2 ARG 26 1HH2 ARG 26 102.878 -16.791 5.906 153 2HH2 ARG 26 2HH2 ARG 26 102.171 -17.907 4.784 154 H THR 27 H THR 27 104.901 -11.158 -0.295 155 HA THR 27 HA THR 27 105.902 -8.523 -0.169 156 HB THR 27 HB THR 27 105.577 -9.821 -2.288 157 HG1 THR 27 HG1 THR 27 105.868 -7.858 -2.938 158 1HG2 THR 27 1HG2 THR 27 103.245 -10.586 -1.815 159 2HG2 THR 27 2HG2 THR 27 103.504 -9.888 -3.412 160 3HG2 THR 27 3HG2 THR 27 102.713 -8.938 -2.155 161 H LYS 28 H LYS 28 102.498 -9.615 -0.310 162 HA LYS 28 HA LYS 28 100.571 -8.514 0.268 163 1HB LYS 28 1HB LYS 28 102.326 -8.214 2.693 164 2HB LYS 28 2HB LYS 28 100.573 -8.033 2.695 165 1HG LYS 28 1HG LYS 28 100.427 -10.193 3.115 166 2HG LYS 28 2HG LYS 28 101.049 -10.490 1.487 167 1HD LYS 28 1HD LYS 28 102.570 -11.637 2.750 168 2HD LYS 28 2HD LYS 28 103.365 -10.066 2.626 169 1HE LYS 28 1HE LYS 28 101.499 -10.554 4.900 170 2HE LYS 28 2HE LYS 28 103.096 -11.296 4.954 171 1HZ LYS 28 1HZ LYS 28 103.771 -8.835 4.288 172 2HZ LYS 28 2HZ LYS 28 103.601 -9.322 5.898 173 3HZ LYS 28 3HZ LYS 28 102.346 -8.487 5.132 174 H LEU 29 H LEU 29 102.674 -6.700 -0.953 175 HA LEU 29 HA LEU 29 102.746 -4.232 0.303 176 1HB LEU 29 1HB LEU 29 103.075 -5.241 -2.453 177 2HB LEU 29 2HB LEU 29 102.804 -3.523 -2.279 178 HG LEU 29 HG LEU 29 105.111 -3.770 -2.386 179 1HD1 LEU 29 1HD1 LEU 29 105.937 -3.101 -0.193 180 2HD1 LEU 29 2HD1 LEU 29 104.444 -3.658 0.550 181 3HD1 LEU 29 3HD1 LEU 29 104.418 -2.298 -0.571 182 1HD2 LEU 29 1HD2 LEU 29 105.969 -5.438 -0.365 183 2HD2 LEU 29 2HD2 LEU 29 105.935 -5.806 -2.089 184 3HD2 LEU 29 3HD2 LEU 29 104.587 -6.281 -1.060 185 HA PRO 30 HA PRO 30 98.651 -2.553 -0.074 186 1HB PRO 30 1HB PRO 30 99.402 0.095 -0.416 187 2HB PRO 30 2HB PRO 30 99.246 -0.705 1.152 188 1HG PRO 30 1HG PRO 30 101.693 -0.172 -0.479 189 2HG PRO 30 2HG PRO 30 101.470 -0.076 1.280 190 1HD PRO 30 1HD PRO 30 102.717 -2.164 0.130 191 2HD PRO 30 2HD PRO 30 101.681 -2.366 1.559 192 HA PRO 31 HA PRO 31 97.961 -1.744 -4.377 193 1HB PRO 31 1HB PRO 31 96.719 0.883 -4.126 194 2HB PRO 31 2HB PRO 31 95.971 -0.672 -4.508 195 1HG PRO 31 1HG PRO 31 95.550 0.632 -2.163 196 2HG PRO 31 2HG PRO 31 95.503 -1.134 -2.309 197 1HD PRO 31 1HD PRO 31 97.698 0.627 -1.278 198 2HD PRO 31 2HD PRO 31 97.116 -0.932 -0.652 199 H GLY 32 H GLY 32 99.857 -1.422 -5.480 200 1HA GLY 32 1HA GLY 32 100.891 0.110 -7.038 201 2HA GLY 32 2HA GLY 32 100.651 1.391 -5.866 202 H VAL 33 H VAL 33 102.106 -1.842 -5.400 203 HA VAL 33 HA VAL 33 104.704 -0.567 -4.984 204 HB VAL 33 HB VAL 33 104.264 -2.649 -3.051 205 1HG1 VAL 33 1HG1 VAL 33 106.094 -0.829 -3.366 206 2HG1 VAL 33 2HG1 VAL 33 105.615 -1.334 -1.748 207 3HG1 VAL 33 3HG1 VAL 33 104.982 0.164 -2.427 208 1HG2 VAL 33 1HG2 VAL 33 102.010 -1.781 -2.964 209 2HG2 VAL 33 2HG2 VAL 33 102.627 -0.138 -2.796 210 3HG2 VAL 33 3HG2 VAL 33 102.897 -1.321 -1.515 211 H ASP 34 H ASP 34 106.433 -1.704 -5.557 212 HA ASP 34 HA ASP 34 106.156 -4.542 -6.189 213 1HB ASP 34 1HB ASP 34 105.720 -3.131 -8.266 214 2HB ASP 34 2HB ASP 34 107.407 -2.625 -8.162 215 H ARG 35 H ARG 35 108.065 -5.700 -6.007 216 HA ARG 35 HA ARG 35 109.963 -4.829 -4.193 217 1HB ARG 35 1HB ARG 35 109.757 -7.093 -6.093 218 2HB ARG 35 2HB ARG 35 111.362 -6.741 -5.467 219 1HG ARG 35 1HG ARG 35 110.250 -8.426 -4.120 220 2HG ARG 35 2HG ARG 35 110.528 -6.953 -3.183 221 1HD ARG 35 1HD ARG 35 108.353 -7.420 -2.615 222 2HD ARG 35 2HD ARG 35 108.111 -6.350 -3.994 223 HE ARG 35 HE ARG 35 107.132 -8.086 -5.091 224 1HH1 ARG 35 1HH1 ARG 35 109.130 -9.395 -2.548 225 2HH1 ARG 35 2HH1 ARG 35 108.629 -11.030 -2.823 226 1HH2 ARG 35 1HH2 ARG 35 106.468 -10.237 -5.453 227 2HH2 ARG 35 2HH2 ARG 35 107.117 -11.508 -4.472 228 H MET 36 H MET 36 109.785 -4.197 -7.579 229 HA MET 36 HA MET 36 112.488 -3.755 -8.159 230 1HB MET 36 1HB MET 36 109.911 -3.137 -9.393 231 2HB MET 36 2HB MET 36 111.150 -1.941 -9.745 232 1HG MET 36 1HG MET 36 112.564 -4.147 -10.225 233 2HG MET 36 2HG MET 36 110.948 -4.769 -10.573 234 1HE MET 36 1HE MET 36 113.169 -3.777 -13.804 235 2HE MET 36 2HE MET 36 113.439 -4.619 -12.277 236 3HE MET 36 3HE MET 36 113.962 -2.945 -12.466 237 H ARG 37 H ARG 37 110.018 -1.555 -6.864 238 HA ARG 37 HA ARG 37 112.197 0.272 -6.109 239 1HB ARG 37 1HB ARG 37 110.289 2.082 -6.472 240 2HB ARG 37 2HB ARG 37 111.361 1.587 -7.770 241 1HG ARG 37 1HG ARG 37 108.722 0.239 -7.337 242 2HG ARG 37 2HG ARG 37 108.852 1.742 -8.252 243 1HD ARG 37 1HD ARG 37 110.866 0.069 -9.248 244 2HD ARG 37 2HD ARG 37 109.444 -0.956 -9.064 245 HE ARG 37 HE ARG 37 108.425 0.194 -10.767 246 1HH1 ARG 37 1HH1 ARG 37 111.251 1.958 -9.724 247 2HH1 ARG 37 2HH1 ARG 37 111.186 3.084 -11.037 248 1HH2 ARG 37 1HH2 ARG 37 108.339 1.676 -12.494 249 2HH2 ARG 37 2HH2 ARG 37 109.533 2.926 -12.609 250 H LEU 38 H LEU 38 111.095 -1.653 -4.404 251 HA LEU 38 HA LEU 38 108.986 -0.681 -2.832 252 1HB LEU 38 1HB LEU 38 111.030 -2.792 -2.602 253 2HB LEU 38 2HB LEU 38 110.364 -2.212 -1.080 254 HG LEU 38 HG LEU 38 108.709 -3.239 -3.389 255 1HD1 LEU 38 1HD1 LEU 38 110.196 -4.923 -2.177 256 2HD1 LEU 38 2HD1 LEU 38 108.470 -5.274 -2.254 257 3HD1 LEU 38 3HD1 LEU 38 109.173 -4.632 -0.771 258 1HD2 LEU 38 1HD2 LEU 38 107.864 -2.763 -0.552 259 2HD2 LEU 38 2HD2 LEU 38 106.855 -3.057 -1.968 260 3HD2 LEU 38 3HD2 LEU 38 107.725 -1.533 -1.807 261 H GLU 39 H GLU 39 112.502 -0.302 -2.521 262 HA GLU 39 HA GLU 39 112.336 1.204 -0.122 263 1HB GLU 39 1HB GLU 39 114.708 1.678 -0.469 264 2HB GLU 39 2HB GLU 39 114.358 -0.032 -0.671 265 1HG GLU 39 1HG GLU 39 115.840 0.494 -2.382 266 2HG GLU 39 2HG GLU 39 114.259 0.435 -3.158 267 H ARG 40 H ARG 40 110.914 2.056 -2.760 268 HA ARG 40 HA ARG 40 111.827 4.854 -2.686 269 1HB ARG 40 1HB ARG 40 112.257 3.854 -4.856 270 2HB ARG 40 2HB ARG 40 110.599 3.282 -4.954 271 1HG ARG 40 1HG ARG 40 110.091 5.137 -6.044 272 2HG ARG 40 2HG ARG 40 110.402 6.039 -4.561 273 1HD ARG 40 1HD ARG 40 112.665 5.285 -6.362 274 2HD ARG 40 2HD ARG 40 111.652 6.676 -6.750 275 HE ARG 40 HE ARG 40 113.687 6.572 -4.792 276 1HH1 ARG 40 1HH1 ARG 40 110.496 7.876 -5.341 277 2HH1 ARG 40 2HH1 ARG 40 110.725 9.218 -4.270 278 1HH2 ARG 40 1HH2 ARG 40 113.989 8.337 -3.384 279 2HH2 ARG 40 2HH2 ARG 40 112.707 9.480 -3.161 280 H HIS 41 H HIS 41 109.364 2.643 -2.076 281 HA HIS 41 HA HIS 41 107.181 4.538 -2.265 282 1HB HIS 41 1HB HIS 41 107.449 1.610 -1.662 283 2HB HIS 41 2HB HIS 41 105.961 2.463 -1.278 284 HD1 HIS 41 HD1 HIS 41 104.977 3.857 -3.495 285 HD2 HIS 41 HD2 HIS 41 107.453 0.586 -4.150 286 HE1 HIS 41 HE1 HIS 41 104.560 3.162 -5.874 287 HE2 HIS 41 HE2 HIS 41 105.989 1.118 -6.214 288 H LEU 42 H LEU 42 109.586 3.974 -0.099 289 HA LEU 42 HA LEU 42 108.055 4.128 2.333 290 1HB LEU 42 1HB LEU 42 111.011 4.252 1.753 291 2HB LEU 42 2HB LEU 42 110.322 4.286 3.371 292 HG LEU 42 HG LEU 42 109.437 2.025 1.715 293 1HD1 LEU 42 1HD1 LEU 42 111.383 0.898 1.466 294 2HD1 LEU 42 2HD1 LEU 42 112.154 1.696 2.840 295 3HD1 LEU 42 3HD1 LEU 42 112.005 2.542 1.293 296 1HD2 LEU 42 1HD2 LEU 42 109.766 0.842 3.791 297 2HD2 LEU 42 2HD2 LEU 42 108.875 2.338 4.072 298 3HD2 LEU 42 3HD2 LEU 42 110.587 2.242 4.481 299 H SER 43 H SER 43 107.942 5.879 3.712 300 HA SER 43 HA SER 43 108.154 8.461 2.452 301 1HB SER 43 1HB SER 43 107.506 8.996 5.058 302 2HB SER 43 2HB SER 43 106.333 8.637 3.786 303 HG SER 43 HG SER 43 106.612 7.319 5.972 304 H ALA 44 H ALA 44 109.216 10.294 3.563 305 HA ALA 44 HA ALA 44 111.928 9.967 3.821 306 1HB ALA 44 1HB ALA 44 110.222 12.062 5.166 307 2HB ALA 44 2HB ALA 44 110.904 12.151 3.542 308 3HB ALA 44 3HB ALA 44 111.970 12.156 4.948 309 H GLU 45 H GLU 45 109.470 9.460 6.229 310 HA GLU 45 HA GLU 45 111.293 9.308 8.447 311 1HB GLU 45 1HB GLU 45 109.116 7.968 9.346 312 2HB GLU 45 2HB GLU 45 109.276 9.716 9.390 313 1HG GLU 45 1HG GLU 45 107.865 10.014 7.563 314 2HG GLU 45 2HG GLU 45 108.035 8.340 7.041 315 H ASP 46 H ASP 46 109.315 6.915 6.731 316 HA ASP 46 HA ASP 46 110.369 4.631 7.905 317 1HB ASP 46 1HB ASP 46 109.191 5.073 5.160 318 2HB ASP 46 2HB ASP 46 109.617 3.476 5.778 319 H PHE 47 H PHE 47 111.415 6.296 4.931 320 HA PHE 47 HA PHE 47 113.436 4.502 4.233 321 1HB PHE 47 1HB PHE 47 112.401 6.533 2.945 322 2HB PHE 47 2HB PHE 47 113.724 7.432 3.694 323 HD1 PHE 47 HD1 PHE 47 113.080 4.325 1.769 324 HD2 PHE 47 HD2 PHE 47 115.759 7.513 2.630 325 HE1 PHE 47 HE1 PHE 47 114.624 3.507 0.023 326 HE2 PHE 47 HE2 PHE 47 117.300 6.706 0.886 327 HZ PHE 47 HZ PHE 47 116.726 4.703 -0.422 328 H SER 48 H SER 48 113.935 7.738 5.643 329 HA SER 48 HA SER 48 116.610 7.369 6.295 330 1HB SER 48 1HB SER 48 114.491 9.204 7.391 331 2HB SER 48 2HB SER 48 116.138 9.232 8.017 332 HG SER 48 HG SER 48 115.569 9.453 5.257 333 H ARG 49 H ARG 49 113.829 6.061 7.824 334 HA ARG 49 HA ARG 49 115.137 5.671 10.380 335 1HB ARG 49 1HB ARG 49 112.731 6.129 10.313 336 2HB ARG 49 2HB ARG 49 112.472 4.674 9.359 337 1HG ARG 49 1HG ARG 49 111.877 4.133 11.572 338 2HG ARG 49 2HG ARG 49 113.445 3.377 11.285 339 1HD ARG 49 1HD ARG 49 113.717 6.074 12.314 340 2HD ARG 49 2HD ARG 49 112.767 5.051 13.395 341 HE ARG 49 HE ARG 49 115.580 4.789 12.757 342 1HH1 ARG 49 1HH1 ARG 49 112.750 3.272 14.132 343 2HH1 ARG 49 2HH1 ARG 49 113.664 2.144 15.076 344 1HH2 ARG 49 1HH2 ARG 49 116.777 3.303 13.997 345 2HH2 ARG 49 2HH2 ARG 49 115.947 2.161 15.000 346 H VAL 50 H VAL 50 114.492 3.867 7.462 347 HA VAL 50 HA VAL 50 115.418 1.384 8.692 348 HB VAL 50 HB VAL 50 114.506 1.781 5.844 349 1HG1 VAL 50 1HG1 VAL 50 115.892 -0.259 6.588 350 2HG1 VAL 50 2HG1 VAL 50 114.409 -0.535 5.674 351 3HG1 VAL 50 3HG1 VAL 50 114.423 -0.763 7.422 352 1HG2 VAL 50 1HG2 VAL 50 112.341 1.532 6.411 353 2HG2 VAL 50 2HG2 VAL 50 112.882 2.221 7.943 354 3HG2 VAL 50 3HG2 VAL 50 112.705 0.475 7.774 355 H PHE 51 H PHE 51 116.274 3.563 6.014 356 HA PHE 51 HA PHE 51 118.761 2.082 5.622 357 1HB PHE 51 1HB PHE 51 117.522 4.328 4.027 358 2HB PHE 51 2HB PHE 51 119.023 3.505 3.611 359 HD1 PHE 51 HD1 PHE 51 115.760 3.724 2.725 360 HD2 PHE 51 HD2 PHE 51 118.633 0.768 3.750 361 HE1 PHE 51 HE1 PHE 51 114.491 2.053 1.428 362 HE2 PHE 51 HE2 PHE 51 117.369 -0.907 2.460 363 HZ PHE 51 HZ PHE 51 115.303 -0.263 1.298 364 H ALA 52 H ALA 52 117.617 5.216 6.717 365 HA ALA 52 HA ALA 52 118.679 6.810 7.985 366 1HB ALA 52 1HB ALA 52 121.282 5.358 7.744 367 2HB ALA 52 2HB ALA 52 120.017 4.773 8.826 368 3HB ALA 52 3HB ALA 52 120.699 6.384 9.054 369 H MET 53 H MET 53 118.855 6.360 4.922 370 HA MET 53 HA MET 53 120.707 8.587 4.414 371 1HB MET 53 1HB MET 53 120.782 7.206 2.069 372 2HB MET 53 2HB MET 53 122.009 7.129 3.329 373 1HG MET 53 1HG MET 53 121.376 5.060 4.024 374 2HG MET 53 2HG MET 53 119.692 5.293 3.548 375 1HE MET 53 1HE MET 53 119.067 5.722 1.109 376 2HE MET 53 2HE MET 53 119.773 4.846 -0.250 377 3HE MET 53 3HE MET 53 120.503 6.351 0.298 378 H SER 54 H SER 54 120.254 9.724 2.407 379 HA SER 54 HA SER 54 117.519 10.462 2.306 380 1HB SER 54 1HB SER 54 119.455 11.999 1.930 381 2HB SER 54 2HB SER 54 119.733 11.194 0.380 382 HG SER 54 HG SER 54 118.051 12.194 -0.444 383 HA PRO 55 HA PRO 55 115.796 7.680 -0.697 384 1HB PRO 55 1HB PRO 55 114.553 10.173 -1.774 385 2HB PRO 55 2HB PRO 55 113.795 8.630 -1.362 386 1HG PRO 55 1HG PRO 55 113.540 10.745 0.242 387 2HG PRO 55 2HG PRO 55 113.734 9.110 0.906 388 1HD PRO 55 1HD PRO 55 115.701 11.344 0.758 389 2HD PRO 55 2HD PRO 55 115.523 10.071 1.985 390 H GLU 56 H GLU 56 117.312 10.715 -1.533 391 HA GLU 56 HA GLU 56 117.733 10.012 -4.297 392 1HB GLU 56 1HB GLU 56 118.756 12.122 -4.531 393 2HB GLU 56 2HB GLU 56 117.473 12.382 -3.353 394 1HG GLU 56 1HG GLU 56 119.527 11.796 -1.708 395 2HG GLU 56 2HG GLU 56 120.394 12.550 -3.049 396 H GLU 57 H GLU 57 119.464 9.868 -1.262 397 HA GLU 57 HA GLU 57 122.055 9.436 -2.166 398 1HB GLU 57 1HB GLU 57 120.586 8.895 0.352 399 2HB GLU 57 2HB GLU 57 121.933 7.808 0.043 400 1HG GLU 57 1HG GLU 57 123.011 10.255 -0.534 401 2HG GLU 57 2HG GLU 57 121.928 10.610 0.812 402 H PHE 58 H PHE 58 119.526 7.009 -1.470 403 HA PHE 58 HA PHE 58 120.810 4.661 -2.085 404 1HB PHE 58 1HB PHE 58 118.231 5.353 -1.575 405 2HB PHE 58 2HB PHE 58 118.108 4.962 -3.288 406 HD1 PHE 58 HD1 PHE 58 118.785 2.664 -4.054 407 HD2 PHE 58 HD2 PHE 58 118.340 3.669 0.058 408 HE1 PHE 58 HE1 PHE 58 118.580 0.276 -3.490 409 HE2 PHE 58 HE2 PHE 58 118.147 1.287 0.627 410 HZ PHE 58 HZ PHE 58 118.265 -0.417 -1.146 411 H GLY 59 H GLY 59 118.865 6.456 -4.495 412 1HA GLY 59 1HA GLY 59 119.668 5.040 -6.734 413 2HA GLY 59 2HA GLY 59 119.141 6.716 -6.761 414 H LYS 60 H LYS 60 121.450 7.402 -4.929 415 HA LYS 60 HA LYS 60 123.422 7.677 -7.068 416 1HB LYS 60 1HB LYS 60 122.982 9.126 -4.467 417 2HB LYS 60 2HB LYS 60 124.474 9.307 -5.386 418 1HG LYS 60 1HG LYS 60 123.021 9.969 -7.351 419 2HG LYS 60 2HG LYS 60 121.686 10.075 -6.197 420 1HD LYS 60 1HD LYS 60 123.599 11.510 -4.915 421 2HD LYS 60 2HD LYS 60 123.992 11.858 -6.600 422 1HE LYS 60 1HE LYS 60 121.135 11.998 -5.886 423 2HE LYS 60 2HE LYS 60 122.169 13.231 -5.163 424 1HZ LYS 60 1HZ LYS 60 123.012 13.311 -7.676 425 2HZ LYS 60 2HZ LYS 60 121.743 14.268 -7.101 426 3HZ LYS 60 3HZ LYS 60 121.409 12.840 -7.942 427 H LEU 61 H LEU 61 122.857 5.505 -4.672 428 HA LEU 61 HA LEU 61 125.501 5.267 -3.616 429 1HB LEU 61 1HB LEU 61 123.044 3.513 -3.439 430 2HB LEU 61 2HB LEU 61 124.521 3.222 -2.550 431 HG LEU 61 HG LEU 61 122.548 5.425 -2.176 432 1HD1 LEU 61 1HD1 LEU 61 123.461 3.055 -0.722 433 2HD1 LEU 61 2HD1 LEU 61 121.898 3.872 -0.709 434 3HD1 LEU 61 3HD1 LEU 61 123.232 4.505 0.255 435 1HD2 LEU 61 1HD2 LEU 61 124.311 6.147 -0.380 436 2HD2 LEU 61 2HD2 LEU 61 124.430 6.738 -2.038 437 3HD2 LEU 61 3HD2 LEU 61 125.449 5.402 -1.503 438 H ALA 62 H ALA 62 125.280 2.275 -3.784 439 HA ALA 62 HA ALA 62 126.085 1.906 -6.583 440 1HB ALA 62 1HB ALA 62 127.439 0.534 -4.284 441 2HB ALA 62 2HB ALA 62 128.013 2.057 -4.960 442 3HB ALA 62 3HB ALA 62 127.958 0.608 -5.966 443 H LEU 63 H LEU 63 126.190 -0.465 -7.184 444 HA LEU 63 HA LEU 63 123.660 -1.640 -6.760 445 1HB LEU 63 1HB LEU 63 125.250 -1.888 -8.745 446 2HB LEU 63 2HB LEU 63 126.078 -3.100 -7.784 447 HG LEU 63 HG LEU 63 123.244 -3.639 -7.842 448 1HD1 LEU 63 1HD1 LEU 63 124.597 -3.096 -10.450 449 2HD1 LEU 63 2HD1 LEU 63 122.964 -2.682 -9.925 450 3HD1 LEU 63 3HD1 LEU 63 123.365 -4.352 -10.327 451 1HD2 LEU 63 1HD2 LEU 63 125.476 -5.058 -7.496 452 2HD2 LEU 63 2HD2 LEU 63 125.212 -5.372 -9.212 453 3HD2 LEU 63 3HD2 LEU 63 123.960 -5.779 -8.038 454 H TRP 64 H TRP 64 126.724 -2.043 -5.144 455 HA TRP 64 HA TRP 64 125.905 -4.456 -3.791 456 1HB TRP 64 1HB TRP 64 128.114 -4.083 -2.618 457 2HB TRP 64 2HB TRP 64 128.226 -4.272 -4.373 458 HD1 TRP 64 HD1 TRP 64 129.209 -2.252 -5.714 459 HE1 TRP 64 HE1 TRP 64 130.119 0.054 -5.046 460 HE3 TRP 64 HE3 TRP 64 127.623 -2.210 -0.981 461 HZ2 TRP 64 HZ2 TRP 64 130.150 1.683 -2.686 462 HZ3 TRP 64 HZ3 TRP 64 128.126 -0.242 0.455 463 HH2 TRP 64 HH2 TRP 64 129.348 1.657 -0.394 464 H LYS 65 H LYS 65 126.173 -1.036 -3.328 465 HA LYS 65 HA LYS 65 125.656 -1.019 -0.519 466 1HB LYS 65 1HB LYS 65 126.570 0.858 -2.198 467 2HB LYS 65 2HB LYS 65 124.868 1.312 -2.184 468 1HG LYS 65 1HG LYS 65 124.887 1.748 0.123 469 2HG LYS 65 2HG LYS 65 126.431 0.915 0.347 470 1HD LYS 65 1HD LYS 65 127.508 2.658 -1.057 471 2HD LYS 65 2HD LYS 65 125.964 3.516 -1.107 472 1HE LYS 65 1HE LYS 65 127.624 4.323 0.620 473 2HE LYS 65 2HE LYS 65 126.008 3.928 1.222 474 1HZ LYS 65 1HZ LYS 65 126.774 2.168 2.386 475 2HZ LYS 65 2HZ LYS 65 128.221 3.046 2.364 476 3HZ LYS 65 3HZ LYS 65 127.980 1.783 1.264 477 H ARG 66 H ARG 66 123.620 -0.041 -3.287 478 HA ARG 66 HA ARG 66 121.206 0.269 -2.023 479 1HB ARG 66 1HB ARG 66 121.720 -0.956 -4.737 480 2HB ARG 66 2HB ARG 66 120.158 -0.375 -4.183 481 1HG ARG 66 1HG ARG 66 121.216 1.874 -3.869 482 2HG ARG 66 2HG ARG 66 122.639 1.228 -4.688 483 1HD ARG 66 1HD ARG 66 120.333 0.598 -6.239 484 2HD ARG 66 2HD ARG 66 120.290 2.320 -5.830 485 HE ARG 66 HE ARG 66 122.842 1.419 -6.803 486 1HH1 ARG 66 1HH1 ARG 66 119.694 2.617 -7.716 487 2HH1 ARG 66 2HH1 ARG 66 120.234 3.235 -9.241 488 1HH2 ARG 66 1HH2 ARG 66 123.554 2.232 -8.807 489 2HH2 ARG 66 2HH2 ARG 66 122.424 3.016 -9.860 490 H ASN 67 H ASN 67 122.693 -2.690 -3.195 491 HA ASN 67 HA ASN 67 120.581 -4.454 -2.601 492 1HB ASN 67 1HB ASN 67 123.449 -4.688 -3.221 493 2HB ASN 67 2HB ASN 67 122.817 -6.001 -2.226 494 1HD2 ASN 67 1HD2 ASN 67 122.355 -4.245 -5.241 495 2HD2 ASN 67 2HD2 ASN 67 121.595 -5.541 -6.092 496 H GLU 68 H GLU 68 123.602 -4.115 -0.748 497 HA GLU 68 HA GLU 68 123.002 -5.464 1.508 498 1HB GLU 68 1HB GLU 68 125.103 -4.047 0.828 499 2HB GLU 68 2HB GLU 68 124.337 -2.806 1.808 500 1HG GLU 68 1HG GLU 68 124.629 -5.516 2.978 501 2HG GLU 68 2HG GLU 68 126.074 -4.518 2.815 502 H LEU 69 H LEU 69 122.053 -2.105 0.821 503 HA LEU 69 HA LEU 69 120.880 -1.564 3.311 504 1HB LEU 69 1HB LEU 69 119.906 -0.482 0.680 505 2HB LEU 69 2HB LEU 69 119.764 0.255 2.264 506 HG LEU 69 HG LEU 69 122.468 -0.285 1.238 507 1HD1 LEU 69 1HD1 LEU 69 120.661 1.046 -0.355 508 2HD1 LEU 69 2HD1 LEU 69 122.417 1.144 -0.460 509 3HD1 LEU 69 3HD1 LEU 69 121.520 2.334 0.480 510 1HD2 LEU 69 1HD2 LEU 69 122.940 1.813 2.437 511 2HD2 LEU 69 2HD2 LEU 69 122.202 0.594 3.475 512 3HD2 LEU 69 3HD2 LEU 69 121.231 1.930 2.856 513 H LYS 70 H LYS 70 119.236 -2.330 0.273 514 HA LYS 70 HA LYS 70 116.708 -2.893 1.363 515 1HB LYS 70 1HB LYS 70 118.135 -3.621 -1.156 516 2HB LYS 70 2HB LYS 70 116.657 -4.481 -0.762 517 1HG LYS 70 1HG LYS 70 115.339 -2.605 -0.981 518 2HG LYS 70 2HG LYS 70 116.687 -1.500 -0.688 519 1HD LYS 70 1HD LYS 70 116.068 -1.395 -3.016 520 2HD LYS 70 2HD LYS 70 117.648 -2.166 -2.872 521 1HE LYS 70 1HE LYS 70 116.070 -4.335 -2.758 522 2HE LYS 70 2HE LYS 70 115.058 -3.284 -3.748 523 1HZ LYS 70 1HZ LYS 70 116.552 -3.288 -5.448 524 2HZ LYS 70 2HZ LYS 70 116.866 -4.825 -4.816 525 3HZ LYS 70 3HZ LYS 70 117.892 -3.534 -4.442 526 H LYS 71 H LYS 71 119.648 -4.661 1.352 527 HA LYS 71 HA LYS 71 118.504 -7.237 1.892 528 1HB LYS 71 1HB LYS 71 121.316 -6.134 1.841 529 2HB LYS 71 2HB LYS 71 120.964 -7.803 2.301 530 1HG LYS 71 1HG LYS 71 119.684 -7.031 -0.187 531 2HG LYS 71 2HG LYS 71 121.438 -6.856 -0.241 532 1HD LYS 71 1HD LYS 71 120.254 -9.354 0.885 533 2HD LYS 71 2HD LYS 71 120.313 -9.138 -0.864 534 1HE LYS 71 1HE LYS 71 122.482 -9.623 -0.917 535 2HE LYS 71 2HE LYS 71 122.834 -8.422 0.324 536 1HZ LYS 71 1HZ LYS 71 122.575 -11.278 0.557 537 2HZ LYS 71 2HZ LYS 71 121.711 -10.431 1.739 538 3HZ LYS 71 3HZ LYS 71 123.373 -10.178 1.565 539 H LYS 72 H LYS 72 119.882 -4.606 3.767 540 HA LYS 72 HA LYS 72 119.672 -6.165 6.217 541 1HB LYS 72 1HB LYS 72 120.915 -4.386 7.292 542 2HB LYS 72 2HB LYS 72 121.749 -4.880 5.826 543 1HG LYS 72 1HG LYS 72 121.896 -2.635 5.579 544 2HG LYS 72 2HG LYS 72 120.331 -2.890 4.799 545 1HD LYS 72 1HD LYS 72 119.522 -2.588 7.341 546 2HD LYS 72 2HD LYS 72 120.985 -1.603 7.380 547 1HE LYS 72 1HE LYS 72 119.188 -1.207 5.067 548 2HE LYS 72 2HE LYS 72 118.584 -0.659 6.631 549 1HZ LYS 72 1HZ LYS 72 120.052 1.016 6.699 550 2HZ LYS 72 2HZ LYS 72 120.158 0.796 5.026 551 3HZ LYS 72 3HZ LYS 72 121.315 0.099 6.045 552 H ALA 73 H ALA 73 118.083 -3.777 4.400 553 HA ALA 73 HA ALA 73 116.579 -2.600 6.546 554 1HB ALA 73 1HB ALA 73 116.748 -2.310 3.606 555 2HB ALA 73 2HB ALA 73 116.779 -1.077 4.868 556 3HB ALA 73 3HB ALA 73 115.247 -1.809 4.384 557 H GLU 74 H GLU 74 116.470 -5.601 5.311 558 HA GLU 74 HA GLU 74 114.943 -7.276 5.429 559 1HB GLU 74 1HB GLU 74 113.212 -5.146 6.694 560 2HB GLU 74 2HB GLU 74 112.743 -6.830 6.551 561 1HG GLU 74 1HG GLU 74 114.391 -7.538 8.050 562 2HG GLU 74 2HG GLU 74 115.274 -6.018 7.927 563 H LEU 75 H LEU 75 115.055 -5.109 3.231 564 HA LEU 75 HA LEU 75 112.756 -6.159 1.811 565 1HB LEU 75 1HB LEU 75 112.806 -3.567 0.876 566 2HB LEU 75 2HB LEU 75 111.599 -4.271 1.941 567 HG LEU 75 HG LEU 75 113.684 -3.428 3.594 568 1HD1 LEU 75 1HD1 LEU 75 114.738 -1.982 2.136 569 2HD1 LEU 75 2HD1 LEU 75 113.553 -0.919 2.900 570 3HD1 LEU 75 3HD1 LEU 75 113.240 -1.579 1.290 571 1HD2 LEU 75 1HD2 LEU 75 111.773 -1.495 3.801 572 2HD2 LEU 75 2HD2 LEU 75 111.713 -3.070 4.592 573 3HD2 LEU 75 3HD2 LEU 75 110.878 -2.820 3.059 574 H PHE 76 H PHE 76 114.715 -7.376 1.027 575 HA PHE 76 HA PHE 76 115.793 -5.966 -1.327 576 1HB PHE 76 1HB PHE 76 117.812 -6.340 -0.380 577 2HB PHE 76 2HB PHE 76 117.171 -7.553 0.729 578 HD1 PHE 76 HD1 PHE 76 117.277 -9.884 0.201 579 HD2 PHE 76 HD2 PHE 76 118.560 -6.970 -2.622 580 HE1 PHE 76 HE1 PHE 76 118.340 -11.654 -1.137 581 HE2 PHE 76 HE2 PHE 76 119.624 -8.734 -3.967 582 HZ PHE 76 HZ PHE 76 119.514 -11.080 -3.225 Start of MODEL 8 1 HT1 PRO 9 HT1 PRO 9 103.313 15.442 -5.984 2 HT2 PRO 9 HT2 PRO 9 104.329 14.939 -7.175 3 HA PRO 9 HA PRO 9 102.299 13.676 -6.162 4 1HB PRO 9 1HB PRO 9 101.296 13.888 -8.878 5 2HB PRO 9 2HB PRO 9 100.425 14.061 -7.349 6 1HG PRO 9 1HG PRO 9 100.934 16.155 -9.008 7 2HG PRO 9 2HG PRO 9 100.776 16.320 -7.251 8 1HD PRO 9 1HD PRO 9 103.268 16.173 -8.922 9 2HD PRO 9 2HD PRO 9 102.891 17.253 -7.567 10 H GLY 10 H GLY 10 103.699 11.989 -6.150 11 1HA GLY 10 1HA GLY 10 104.682 11.037 -8.771 12 2HA GLY 10 2HA GLY 10 105.584 10.856 -7.274 13 H LEU 11 H LEU 11 105.197 9.180 -5.962 14 HA LEU 11 HA LEU 11 103.140 7.269 -6.836 15 1HB LEU 11 1HB LEU 11 104.924 5.733 -5.482 16 2HB LEU 11 2HB LEU 11 104.871 5.908 -7.225 17 HG LEU 11 HG LEU 11 106.503 7.941 -6.707 18 1HD1 LEU 11 1HD1 LEU 11 106.611 7.929 -4.384 19 2HD1 LEU 11 2HD1 LEU 11 108.074 7.067 -4.867 20 3HD1 LEU 11 3HD1 LEU 11 106.665 6.167 -4.300 21 1HD2 LEU 11 1HD2 LEU 11 106.770 5.591 -7.902 22 2HD2 LEU 11 2HD2 LEU 11 107.788 5.278 -6.496 23 3HD2 LEU 11 3HD2 LEU 11 108.152 6.633 -7.565 24 H GLN 12 H GLN 12 102.424 5.762 -5.092 25 HA GLN 12 HA GLN 12 101.633 7.294 -2.799 26 1HB GLN 12 1HB GLN 12 100.641 4.974 -2.124 27 2HB GLN 12 2HB GLN 12 99.932 5.872 -3.458 28 1HG GLN 12 1HG GLN 12 102.082 3.977 -4.155 29 2HG GLN 12 2HG GLN 12 100.569 3.277 -3.586 30 1HE2 GLN 12 1HE2 GLN 12 101.913 3.346 -6.253 31 2HE2 GLN 12 2HE2 GLN 12 100.705 3.941 -7.338 32 H ILE 13 H ILE 13 102.242 7.064 -0.688 33 HA ILE 13 HA ILE 13 104.514 5.269 -0.161 34 HB ILE 13 HB ILE 13 104.102 8.021 1.011 35 1HG1 ILE 13 1HG1 ILE 13 105.778 7.018 -1.281 36 2HG1 ILE 13 2HG1 ILE 13 104.677 8.395 -1.244 37 1HG2 ILE 13 1HG2 ILE 13 106.088 7.753 2.166 38 2HG2 ILE 13 2HG2 ILE 13 106.631 6.436 1.127 39 3HG2 ILE 13 3HG2 ILE 13 105.349 6.158 2.304 40 1HD1 ILE 13 1HD1 ILE 13 106.495 9.646 -1.000 41 2HD1 ILE 13 2HD1 ILE 13 107.503 8.248 -0.621 42 3HD1 ILE 13 3HD1 ILE 13 106.570 9.035 0.652 43 H TYR 14 H TYR 14 104.187 3.859 1.410 44 HA TYR 14 HA TYR 14 102.196 4.467 3.497 45 1HB TYR 14 1HB TYR 14 102.757 1.684 2.477 46 2HB TYR 14 2HB TYR 14 101.396 2.237 3.449 47 HD1 TYR 14 HD1 TYR 14 102.915 2.564 0.064 48 HD2 TYR 14 HD2 TYR 14 99.392 2.852 2.434 49 HE1 TYR 14 HE1 TYR 14 101.574 2.851 -1.972 50 HE2 TYR 14 HE2 TYR 14 98.041 3.143 0.401 51 HH TYR 14 HH TYR 14 98.517 4.020 -2.015 52 HA PRO 15 HA PRO 15 104.929 3.394 6.806 53 1HB PRO 15 1HB PRO 15 103.539 0.767 7.153 54 2HB PRO 15 2HB PRO 15 103.960 1.986 8.366 55 1HG PRO 15 1HG PRO 15 101.461 1.779 7.502 56 2HG PRO 15 2HG PRO 15 102.189 3.374 7.775 57 1HD PRO 15 1HD PRO 15 101.645 1.948 5.213 58 2HD PRO 15 2HD PRO 15 101.565 3.686 5.576 59 H TYR 16 H TYR 16 106.562 1.726 7.549 60 HA TYR 16 HA TYR 16 107.824 0.601 5.212 61 1HB TYR 16 1HB TYR 16 109.371 1.671 6.564 62 2HB TYR 16 2HB TYR 16 108.625 1.098 8.052 63 HD1 TYR 16 HD1 TYR 16 109.323 -0.887 9.074 64 HD2 TYR 16 HD2 TYR 16 110.748 0.089 5.195 65 HE1 TYR 16 HE1 TYR 16 110.983 -2.700 9.238 66 HE2 TYR 16 HE2 TYR 16 112.413 -1.716 5.328 67 HH TYR 16 HH TYR 16 113.611 -2.958 7.353 68 H GLU 17 H GLU 17 106.995 -0.690 8.441 69 HA GLU 17 HA GLU 17 107.527 -3.342 8.083 70 1HB GLU 17 1HB GLU 17 105.703 -1.800 9.773 71 2HB GLU 17 2HB GLU 17 105.147 -3.443 9.482 72 1HG GLU 17 1HG GLU 17 107.434 -4.220 10.197 73 2HG GLU 17 2HG GLU 17 107.735 -2.562 10.728 74 H MET 18 H MET 18 104.438 -1.759 7.246 75 HA MET 18 HA MET 18 103.238 -4.070 6.159 76 1HB MET 18 1HB MET 18 102.621 -1.241 6.367 77 2HB MET 18 2HB MET 18 102.133 -1.886 4.806 78 1HG MET 18 1HG MET 18 101.184 -3.812 6.426 79 2HG MET 18 2HG MET 18 101.064 -2.411 7.495 80 1HE MET 18 1HE MET 18 99.291 -4.578 5.780 81 2HE MET 18 2HE MET 18 99.312 -4.032 4.103 82 3HE MET 18 3HE MET 18 97.877 -3.776 5.095 83 H LEU 19 H LEU 19 105.538 -1.810 4.933 84 HA LEU 19 HA LEU 19 105.192 -2.652 2.175 85 1HB LEU 19 1HB LEU 19 106.860 -0.588 3.562 86 2HB LEU 19 2HB LEU 19 107.185 -1.030 1.894 87 HG LEU 19 HG LEU 19 104.580 0.092 2.933 88 1HD1 LEU 19 1HD1 LEU 19 106.523 1.452 1.097 89 2HD1 LEU 19 2HD1 LEU 19 106.634 1.613 2.850 90 3HD1 LEU 19 3HD1 LEU 19 105.183 2.151 2.004 91 1HD2 LEU 19 1HD2 LEU 19 105.479 -0.970 0.312 92 2HD2 LEU 19 2HD2 LEU 19 104.383 0.412 0.332 93 3HD2 LEU 19 3HD2 LEU 19 103.912 -1.100 1.108 94 H VAL 20 H VAL 20 106.749 -3.957 4.790 95 HA VAL 20 HA VAL 20 109.324 -4.521 3.804 96 HB VAL 20 HB VAL 20 107.759 -6.364 5.612 97 1HG1 VAL 20 1HG1 VAL 20 110.594 -6.011 4.874 98 2HG1 VAL 20 2HG1 VAL 20 109.710 -7.476 5.303 99 3HG1 VAL 20 3HG1 VAL 20 110.245 -6.362 6.565 100 1HG2 VAL 20 1HG2 VAL 20 109.523 -4.325 6.793 101 2HG2 VAL 20 2HG2 VAL 20 108.016 -5.018 7.391 102 3HG2 VAL 20 3HG2 VAL 20 107.980 -3.757 6.161 103 H VAL 21 H VAL 21 110.085 -6.768 3.128 104 HA VAL 21 HA VAL 21 108.235 -7.696 1.053 105 HB VAL 21 HB VAL 21 111.186 -8.247 1.299 106 1HG1 VAL 21 1HG1 VAL 21 110.523 -9.818 -0.203 107 2HG1 VAL 21 2HG1 VAL 21 110.689 -8.450 -1.304 108 3HG1 VAL 21 3HG1 VAL 21 109.096 -8.904 -0.697 109 1HG2 VAL 21 1HG2 VAL 21 109.753 -6.096 -0.253 110 2HG2 VAL 21 2HG2 VAL 21 111.469 -6.473 -0.384 111 3HG2 VAL 21 3HG2 VAL 21 110.815 -5.855 1.135 112 H THR 22 H THR 22 110.799 -9.361 2.932 113 HA THR 22 HA THR 22 109.065 -11.734 2.939 114 HB THR 22 HB THR 22 112.053 -11.416 3.140 115 HG1 THR 22 HG1 THR 22 110.447 -12.904 1.344 116 1HG2 THR 22 1HG2 THR 22 112.196 -13.293 4.310 117 2HG2 THR 22 2HG2 THR 22 111.538 -14.124 2.900 118 3HG2 THR 22 3HG2 THR 22 110.461 -13.585 4.189 119 H ASN 23 H ASN 23 111.327 -10.021 5.039 120 HA ASN 23 HA ASN 23 111.185 -11.359 7.359 121 1HB ASN 23 1HB ASN 23 111.104 -8.357 7.039 122 2HB ASN 23 2HB ASN 23 111.551 -9.207 8.522 123 1HD2 ASN 23 1HD2 ASN 23 112.471 -8.533 5.208 124 2HD2 ASN 23 2HD2 ASN 23 114.133 -8.978 5.384 125 H LYS 24 H LYS 24 108.519 -9.548 6.005 126 HA LYS 24 HA LYS 24 106.982 -10.091 8.461 127 1HB LYS 24 1HB LYS 24 107.121 -7.754 6.701 128 2HB LYS 24 2HB LYS 24 105.476 -8.253 7.077 129 1HG LYS 24 1HG LYS 24 106.449 -6.538 8.614 130 2HG LYS 24 2HG LYS 24 105.839 -7.991 9.408 131 1HD LYS 24 1HD LYS 24 107.941 -7.412 10.407 132 2HD LYS 24 2HD LYS 24 108.173 -8.870 9.441 133 1HE LYS 24 1HE LYS 24 109.897 -7.799 8.510 134 2HE LYS 24 2HE LYS 24 108.688 -6.848 7.651 135 1HZ LYS 24 1HZ LYS 24 108.872 -5.108 9.165 136 2HZ LYS 24 2HZ LYS 24 110.474 -5.603 8.939 137 3HZ LYS 24 3HZ LYS 24 109.636 -6.062 10.335 138 H GLY 25 H GLY 25 107.440 -11.911 6.166 139 1HA GLY 25 1HA GLY 25 105.710 -13.611 5.735 140 2HA GLY 25 2HA GLY 25 104.606 -12.284 5.405 141 H ARG 26 H ARG 26 104.490 -11.452 3.377 142 HA ARG 26 HA ARG 26 106.554 -12.176 1.461 143 1HB ARG 26 1HB ARG 26 105.010 -12.966 -0.180 144 2HB ARG 26 2HB ARG 26 104.740 -13.876 1.293 145 1HG ARG 26 1HG ARG 26 103.050 -11.519 1.095 146 2HG ARG 26 2HG ARG 26 102.821 -12.651 -0.237 147 1HD ARG 26 1HD ARG 26 102.999 -13.814 2.469 148 2HD ARG 26 2HD ARG 26 101.551 -12.871 2.114 149 HE ARG 26 HE ARG 26 101.733 -14.511 -0.019 150 1HH1 ARG 26 1HH1 ARG 26 101.808 -15.097 3.420 151 2HH1 ARG 26 2HH1 ARG 26 101.115 -16.678 3.293 152 1HH2 ARG 26 1HH2 ARG 26 100.818 -16.590 -0.189 153 2HH2 ARG 26 2HH2 ARG 26 100.549 -17.525 1.245 154 H THR 27 H THR 27 104.708 -11.093 -0.712 155 HA THR 27 HA THR 27 105.627 -8.465 -0.551 156 HB THR 27 HB THR 27 105.070 -9.635 -2.674 157 HG1 THR 27 HG1 THR 27 103.589 -7.246 -2.562 158 1HG2 THR 27 1HG2 THR 27 102.221 -8.838 -2.227 159 2HG2 THR 27 2HG2 THR 27 102.809 -10.469 -1.896 160 3HG2 THR 27 3HG2 THR 27 102.908 -9.810 -3.528 161 H LYS 28 H LYS 28 102.172 -9.447 -0.395 162 HA LYS 28 HA LYS 28 100.382 -8.354 0.499 163 1HB LYS 28 1HB LYS 28 102.465 -8.054 2.655 164 2HB LYS 28 2HB LYS 28 100.740 -7.774 2.888 165 1HG LYS 28 1HG LYS 28 100.522 -9.916 3.387 166 2HG LYS 28 2HG LYS 28 100.978 -10.311 1.724 167 1HD LYS 28 1HD LYS 28 102.514 -11.476 3.062 168 2HD LYS 28 2HD LYS 28 103.389 -10.047 2.494 169 1HE LYS 28 1HE LYS 28 101.939 -9.677 5.020 170 2HE LYS 28 2HE LYS 28 103.236 -10.869 5.093 171 1HZ LYS 28 1HZ LYS 28 103.383 -7.985 4.645 172 2HZ LYS 28 2HZ LYS 28 104.513 -8.952 3.841 173 3HZ LYS 28 3HZ LYS 28 104.413 -8.996 5.530 174 H LEU 29 H LEU 29 102.482 -6.618 -0.969 175 HA LEU 29 HA LEU 29 102.660 -4.131 0.234 176 1HB LEU 29 1HB LEU 29 102.900 -5.216 -2.493 177 2HB LEU 29 2HB LEU 29 102.672 -3.489 -2.370 178 HG LEU 29 HG LEU 29 104.971 -3.794 -2.507 179 1HD1 LEU 29 1HD1 LEU 29 104.376 -3.591 0.440 180 2HD1 LEU 29 2HD1 LEU 29 104.321 -2.259 -0.713 181 3HD1 LEU 29 3HD1 LEU 29 105.850 -3.061 -0.362 182 1HD2 LEU 29 1HD2 LEU 29 104.416 -6.251 -1.106 183 2HD2 LEU 29 2HD2 LEU 29 105.818 -5.420 -0.442 184 3HD2 LEU 29 3HD2 LEU 29 105.765 -5.832 -2.156 185 HA PRO 30 HA PRO 30 98.570 -2.417 0.011 186 1HB PRO 30 1HB PRO 30 99.393 0.229 -0.203 187 2HB PRO 30 2HB PRO 30 99.196 -0.645 1.321 188 1HG PRO 30 1HG PRO 30 101.674 -0.084 -0.246 189 2HG PRO 30 2HG PRO 30 101.434 -0.104 1.512 190 1HD PRO 30 1HD PRO 30 102.637 -2.141 0.213 191 2HD PRO 30 2HD PRO 30 101.602 -2.408 1.633 192 HA PRO 31 HA PRO 31 97.775 -1.357 -4.215 193 1HB PRO 31 1HB PRO 31 96.749 1.349 -3.742 194 2HB PRO 31 2HB PRO 31 95.887 -0.100 -4.278 195 1HG PRO 31 1HG PRO 31 95.525 0.959 -1.823 196 2HG PRO 31 2HG PRO 31 95.432 -0.786 -2.126 197 1HD PRO 31 1HD PRO 31 97.681 0.819 -0.965 198 2HD PRO 31 2HD PRO 31 97.048 -0.763 -0.459 199 H GLY 32 H GLY 32 99.637 -1.124 -5.379 200 1HA GLY 32 1HA GLY 32 100.788 0.307 -6.908 201 2HA GLY 32 2HA GLY 32 100.574 1.632 -5.781 202 H VAL 33 H VAL 33 101.905 -1.624 -5.187 203 HA VAL 33 HA VAL 33 104.552 -0.444 -4.802 204 HB VAL 33 HB VAL 33 104.180 -2.373 -2.756 205 1HG1 VAL 33 1HG1 VAL 33 105.659 -0.168 -3.185 206 2HG1 VAL 33 2HG1 VAL 33 105.482 -0.955 -1.621 207 3HG1 VAL 33 3HG1 VAL 33 104.483 0.441 -2.025 208 1HG2 VAL 33 1HG2 VAL 33 101.784 -1.145 -3.140 209 2HG2 VAL 33 2HG2 VAL 33 102.549 -0.092 -1.954 210 3HG2 VAL 33 3HG2 VAL 33 102.350 -1.810 -1.614 211 H ASP 34 H ASP 34 106.167 -1.624 -5.510 212 HA ASP 34 HA ASP 34 105.832 -4.503 -5.867 213 1HB ASP 34 1HB ASP 34 105.306 -2.996 -8.000 214 2HB ASP 34 2HB ASP 34 107.066 -3.012 -8.138 215 H ARG 35 H ARG 35 107.743 -5.660 -5.784 216 HA ARG 35 HA ARG 35 109.811 -4.712 -4.234 217 1HB ARG 35 1HB ARG 35 109.343 -7.070 -5.910 218 2HB ARG 35 2HB ARG 35 111.043 -6.672 -5.712 219 1HG ARG 35 1HG ARG 35 110.445 -8.222 -4.011 220 2HG ARG 35 2HG ARG 35 110.684 -6.645 -3.249 221 1HD ARG 35 1HD ARG 35 108.681 -6.915 -2.318 222 2HD ARG 35 2HD ARG 35 107.991 -6.678 -3.920 223 HE ARG 35 HE ARG 35 108.322 -9.196 -2.503 224 1HH1 ARG 35 1HH1 ARG 35 107.498 -7.591 -5.497 225 2HH1 ARG 35 2HH1 ARG 35 106.665 -8.963 -6.143 226 1HH2 ARG 35 1HH2 ARG 35 107.231 -10.996 -3.359 227 2HH2 ARG 35 2HH2 ARG 35 106.514 -10.894 -4.933 228 H MET 36 H MET 36 109.309 -4.250 -7.623 229 HA MET 36 HA MET 36 111.834 -3.871 -8.628 230 1HB MET 36 1HB MET 36 109.281 -3.422 -9.530 231 2HB MET 36 2HB MET 36 109.947 -1.796 -9.482 232 1HG MET 36 1HG MET 36 111.698 -2.372 -10.969 233 2HG MET 36 2HG MET 36 111.324 -4.093 -10.840 234 1HE MET 36 1HE MET 36 111.249 -3.985 -13.862 235 2HE MET 36 2HE MET 36 109.606 -4.619 -13.974 236 3HE MET 36 3HE MET 36 110.666 -5.144 -12.665 237 H ARG 37 H ARG 37 109.901 -1.564 -6.750 238 HA ARG 37 HA ARG 37 112.345 -0.143 -6.060 239 1HB ARG 37 1HB ARG 37 110.984 2.058 -6.502 240 2HB ARG 37 2HB ARG 37 111.878 1.286 -7.800 241 1HG ARG 37 1HG ARG 37 109.204 0.228 -7.643 242 2HG ARG 37 2HG ARG 37 109.180 1.987 -7.776 243 1HD ARG 37 1HD ARG 37 111.114 0.770 -9.568 244 2HD ARG 37 2HD ARG 37 109.478 0.179 -9.852 245 HE ARG 37 HE ARG 37 109.304 2.935 -9.648 246 1HH1 ARG 37 1HH1 ARG 37 110.856 0.607 -11.733 247 2HH1 ARG 37 2HH1 ARG 37 110.807 1.635 -13.125 248 1HH2 ARG 37 1HH2 ARG 37 109.237 4.288 -11.478 249 2HH2 ARG 37 2HH2 ARG 37 109.889 3.726 -12.981 250 H LEU 38 H LEU 38 111.099 -1.686 -4.308 251 HA LEU 38 HA LEU 38 108.988 -0.465 -2.880 252 1HB LEU 38 1HB LEU 38 110.883 -2.702 -2.383 253 2HB LEU 38 2HB LEU 38 110.016 -2.036 -1.005 254 HG LEU 38 HG LEU 38 108.695 -3.103 -3.504 255 1HD1 LEU 38 1HD1 LEU 38 108.934 -4.359 -0.772 256 2HD1 LEU 38 2HD1 LEU 38 109.814 -4.871 -2.213 257 3HD1 LEU 38 3HD1 LEU 38 108.056 -5.014 -2.156 258 1HD2 LEU 38 1HD2 LEU 38 106.661 -2.988 -2.121 259 2HD2 LEU 38 2HD2 LEU 38 107.370 -1.407 -2.440 260 3HD2 LEU 38 3HD2 LEU 38 107.589 -2.169 -0.865 261 H GLU 39 H GLU 39 112.455 -0.124 -2.769 262 HA GLU 39 HA GLU 39 112.497 1.289 -0.283 263 1HB GLU 39 1HB GLU 39 114.801 1.484 -0.559 264 2HB GLU 39 2HB GLU 39 114.420 -0.039 -1.349 265 1HG GLU 39 1HG GLU 39 114.837 2.596 -2.743 266 2HG GLU 39 2HG GLU 39 116.024 1.298 -2.619 267 H ARG 40 H ARG 40 110.991 2.183 -2.923 268 HA ARG 40 HA ARG 40 111.868 4.989 -2.757 269 1HB ARG 40 1HB ARG 40 111.676 3.308 -5.002 270 2HB ARG 40 2HB ARG 40 110.313 4.410 -5.114 271 1HG ARG 40 1HG ARG 40 112.640 5.896 -4.404 272 2HG ARG 40 2HG ARG 40 113.010 4.878 -5.797 273 1HD ARG 40 1HD ARG 40 111.833 6.195 -7.150 274 2HD ARG 40 2HD ARG 40 110.421 6.098 -6.101 275 HE ARG 40 HE ARG 40 111.053 8.085 -5.078 276 1HH1 ARG 40 1HH1 ARG 40 113.466 7.079 -7.401 277 2HH1 ARG 40 2HH1 ARG 40 114.258 8.617 -7.424 278 1HH2 ARG 40 1HH2 ARG 40 112.102 10.103 -5.111 279 2HH2 ARG 40 2HH2 ARG 40 113.487 10.331 -6.126 280 H HIS 41 H HIS 41 109.426 2.748 -2.199 281 HA HIS 41 HA HIS 41 107.225 4.625 -2.379 282 1HB HIS 41 1HB HIS 41 107.515 1.691 -1.830 283 2HB HIS 41 2HB HIS 41 106.027 2.521 -1.409 284 HD1 HIS 41 HD1 HIS 41 104.907 3.868 -3.540 285 HD2 HIS 41 HD2 HIS 41 107.576 0.800 -4.378 286 HE1 HIS 41 HE1 HIS 41 104.473 3.233 -5.933 287 HE2 HIS 41 HE2 HIS 41 106.186 1.463 -6.455 288 H LEU 42 H LEU 42 109.611 4.016 -0.179 289 HA LEU 42 HA LEU 42 108.043 4.127 2.224 290 1HB LEU 42 1HB LEU 42 110.996 4.220 1.641 291 2HB LEU 42 2HB LEU 42 110.334 4.320 3.267 292 HG LEU 42 HG LEU 42 109.289 2.038 1.799 293 1HD1 LEU 42 1HD1 LEU 42 111.934 1.254 2.525 294 2HD1 LEU 42 2HD1 LEU 42 112.015 2.571 1.349 295 3HD1 LEU 42 3HD1 LEU 42 111.110 1.106 0.970 296 1HD2 LEU 42 1HD2 LEU 42 110.909 2.081 4.308 297 2HD2 LEU 42 2HD2 LEU 42 109.640 0.951 3.828 298 3HD2 LEU 42 3HD2 LEU 42 109.230 2.610 4.263 299 H SER 43 H SER 43 107.828 5.840 3.591 300 HA SER 43 HA SER 43 107.947 8.446 2.445 301 1HB SER 43 1HB SER 43 106.408 7.364 4.369 302 2HB SER 43 2HB SER 43 107.611 8.168 5.383 303 HG SER 43 HG SER 43 106.284 9.492 3.264 304 H ALA 44 H ALA 44 109.089 10.276 3.340 305 HA ALA 44 HA ALA 44 111.814 9.990 3.466 306 1HB ALA 44 1HB ALA 44 109.920 12.120 4.195 307 2HB ALA 44 2HB ALA 44 111.369 12.182 3.191 308 3HB ALA 44 3HB ALA 44 111.511 12.234 4.948 309 H GLU 45 H GLU 45 109.496 9.581 6.019 310 HA GLU 45 HA GLU 45 111.461 9.556 8.134 311 1HB GLU 45 1HB GLU 45 108.940 8.200 8.736 312 2HB GLU 45 2HB GLU 45 109.703 9.555 9.546 313 1HG GLU 45 1HG GLU 45 107.921 9.649 7.130 314 2HG GLU 45 2HG GLU 45 107.551 10.219 8.755 315 H ASP 46 H ASP 46 109.406 7.175 6.521 316 HA ASP 46 HA ASP 46 110.373 4.881 7.750 317 1HB ASP 46 1HB ASP 46 109.468 5.055 4.874 318 2HB ASP 46 2HB ASP 46 109.397 3.648 5.937 319 H PHE 47 H PHE 47 111.403 6.324 4.643 320 HA PHE 47 HA PHE 47 113.429 4.522 4.053 321 1HB PHE 47 1HB PHE 47 112.423 6.467 2.657 322 2HB PHE 47 2HB PHE 47 113.684 7.444 3.414 323 HD1 PHE 47 HD1 PHE 47 113.193 4.286 1.533 324 HD2 PHE 47 HD2 PHE 47 115.778 7.530 2.466 325 HE1 PHE 47 HE1 PHE 47 114.821 3.475 -0.142 326 HE2 PHE 47 HE2 PHE 47 117.404 6.732 0.798 327 HZ PHE 47 HZ PHE 47 116.919 4.706 -0.512 328 H SER 48 H SER 48 113.811 7.750 5.520 329 HA SER 48 HA SER 48 116.524 7.459 6.143 330 1HB SER 48 1HB SER 48 116.243 9.416 7.560 331 2HB SER 48 2HB SER 48 115.317 9.629 6.073 332 HG SER 48 HG SER 48 114.095 10.211 7.904 333 H ARG 49 H ARG 49 113.804 5.996 7.579 334 HA ARG 49 HA ARG 49 115.099 5.650 10.165 335 1HB ARG 49 1HB ARG 49 112.701 6.146 10.125 336 2HB ARG 49 2HB ARG 49 112.408 4.700 9.168 337 1HG ARG 49 1HG ARG 49 111.822 4.198 11.407 338 2HG ARG 49 2HG ARG 49 113.338 3.360 11.065 339 1HD ARG 49 1HD ARG 49 114.264 5.716 12.023 340 2HD ARG 49 2HD ARG 49 112.764 5.555 12.940 341 HE ARG 49 HE ARG 49 113.917 3.127 13.220 342 1HH1 ARG 49 1HH1 ARG 49 115.074 6.381 13.723 343 2HH1 ARG 49 2HH1 ARG 49 116.171 5.929 14.985 344 1HH2 ARG 49 1HH2 ARG 49 115.359 2.532 14.882 345 2HH2 ARG 49 2HH2 ARG 49 116.331 3.745 15.644 346 H VAL 50 H VAL 50 114.358 3.831 7.261 347 HA VAL 50 HA VAL 50 115.262 1.343 8.495 348 HB VAL 50 HB VAL 50 114.425 1.694 5.622 349 1HG1 VAL 50 1HG1 VAL 50 115.653 -0.382 6.509 350 2HG1 VAL 50 2HG1 VAL 50 114.180 -0.619 5.568 351 3HG1 VAL 50 3HG1 VAL 50 114.136 -0.753 7.326 352 1HG2 VAL 50 1HG2 VAL 50 112.476 0.597 7.542 353 2HG2 VAL 50 2HG2 VAL 50 112.226 1.595 6.110 354 3HG2 VAL 50 3HG2 VAL 50 112.747 2.337 7.625 355 H PHE 51 H PHE 51 116.258 3.663 6.034 356 HA PHE 51 HA PHE 51 118.713 2.109 5.598 357 1HB PHE 51 1HB PHE 51 117.547 4.376 3.972 358 2HB PHE 51 2HB PHE 51 119.010 3.478 3.575 359 HD1 PHE 51 HD1 PHE 51 118.582 0.808 3.577 360 HD2 PHE 51 HD2 PHE 51 115.676 3.812 2.821 361 HE1 PHE 51 HE1 PHE 51 117.250 -0.811 2.281 362 HE2 PHE 51 HE2 PHE 51 114.335 2.198 1.527 363 HZ PHE 51 HZ PHE 51 115.130 -0.109 1.254 364 H ALA 52 H ALA 52 117.532 5.268 6.604 365 HA ALA 52 HA ALA 52 118.551 6.886 7.879 366 1HB ALA 52 1HB ALA 52 121.137 5.382 7.764 367 2HB ALA 52 2HB ALA 52 119.834 4.890 8.846 368 3HB ALA 52 3HB ALA 52 120.559 6.490 9.008 369 H MET 53 H MET 53 118.796 6.403 4.852 370 HA MET 53 HA MET 53 120.690 8.592 4.344 371 1HB MET 53 1HB MET 53 120.837 7.148 2.044 372 2HB MET 53 2HB MET 53 122.018 7.090 3.348 373 1HG MET 53 1HG MET 53 121.357 5.038 4.052 374 2HG MET 53 2HG MET 53 119.681 5.285 3.556 375 1HE MET 53 1HE MET 53 119.064 5.621 1.066 376 2HE MET 53 2HE MET 53 119.864 4.794 -0.270 377 3HE MET 53 3HE MET 53 120.524 6.303 0.345 378 H SER 54 H SER 54 120.294 9.695 2.307 379 HA SER 54 HA SER 54 117.555 10.399 2.083 380 1HB SER 54 1HB SER 54 120.051 11.157 0.574 381 2HB SER 54 2HB SER 54 118.462 11.786 0.117 382 HG SER 54 HG SER 54 120.083 12.611 2.075 383 HA PRO 55 HA PRO 55 116.013 7.533 -0.949 384 1HB PRO 55 1HB PRO 55 114.747 9.969 -2.116 385 2HB PRO 55 2HB PRO 55 114.013 8.420 -1.689 386 1HG PRO 55 1HG PRO 55 113.658 10.577 -0.156 387 2HG PRO 55 2HG PRO 55 113.850 8.963 0.557 388 1HD PRO 55 1HD PRO 55 115.787 11.223 0.432 389 2HD PRO 55 2HD PRO 55 115.578 9.978 1.682 390 H GLU 56 H GLU 56 117.507 10.583 -1.732 391 HA GLU 56 HA GLU 56 118.056 9.898 -4.476 392 1HB GLU 56 1HB GLU 56 117.808 12.201 -4.177 393 2HB GLU 56 2HB GLU 56 118.710 12.201 -2.665 394 1HG GLU 56 1HG GLU 56 120.677 12.494 -3.690 395 2HG GLU 56 2HG GLU 56 120.265 11.410 -5.022 396 H GLU 57 H GLU 57 119.653 9.756 -1.363 397 HA GLU 57 HA GLU 57 122.289 9.375 -2.177 398 1HB GLU 57 1HB GLU 57 120.741 8.831 0.292 399 2HB GLU 57 2HB GLU 57 122.119 7.767 0.041 400 1HG GLU 57 1HG GLU 57 123.124 10.274 -0.524 401 2HG GLU 57 2HG GLU 57 122.040 10.542 0.840 402 H PHE 58 H PHE 58 119.781 6.923 -1.520 403 HA PHE 58 HA PHE 58 121.081 4.578 -2.045 404 1HB PHE 58 1HB PHE 58 118.483 5.277 -1.683 405 2HB PHE 58 2HB PHE 58 118.445 4.860 -3.394 406 HD1 PHE 58 HD1 PHE 58 118.415 3.621 -0.040 407 HD2 PHE 58 HD2 PHE 58 119.251 2.551 -4.073 408 HE1 PHE 58 HE1 PHE 58 118.188 1.251 0.552 409 HE2 PHE 58 HE2 PHE 58 119.022 0.173 -3.487 410 HZ PHE 58 HZ PHE 58 118.491 -0.484 -1.175 411 H GLY 59 H GLY 59 119.252 6.297 -4.594 412 1HA GLY 59 1HA GLY 59 120.165 4.835 -6.754 413 2HA GLY 59 2HA GLY 59 119.643 6.510 -6.846 414 H LYS 60 H LYS 60 121.878 7.226 -4.921 415 HA LYS 60 HA LYS 60 123.948 7.422 -6.982 416 1HB LYS 60 1HB LYS 60 123.282 9.028 -4.539 417 2HB LYS 60 2HB LYS 60 124.898 9.113 -5.236 418 1HG LYS 60 1HG LYS 60 122.721 9.433 -7.174 419 2HG LYS 60 2HG LYS 60 122.810 10.698 -5.942 420 1HD LYS 60 1HD LYS 60 125.415 9.986 -7.051 421 2HD LYS 60 2HD LYS 60 124.287 10.595 -8.264 422 1HE LYS 60 1HE LYS 60 123.825 12.469 -6.539 423 2HE LYS 60 2HE LYS 60 125.347 11.952 -5.814 424 1HZ LYS 60 1HZ LYS 60 125.691 13.756 -7.374 425 2HZ LYS 60 2HZ LYS 60 124.981 12.858 -8.619 426 3HZ LYS 60 3HZ LYS 60 126.442 12.348 -7.936 427 H LEU 61 H LEU 61 123.276 5.358 -4.526 428 HA LEU 61 HA LEU 61 125.855 5.206 -3.307 429 1HB LEU 61 1HB LEU 61 123.424 3.412 -3.200 430 2HB LEU 61 2HB LEU 61 124.846 3.200 -2.205 431 HG LEU 61 HG LEU 61 122.811 5.376 -2.072 432 1HD1 LEU 61 1HD1 LEU 61 123.670 3.103 -0.437 433 2HD1 LEU 61 2HD1 LEU 61 122.092 3.874 -0.584 434 3HD1 LEU 61 3HD1 LEU 61 123.332 4.595 0.441 435 1HD2 LEU 61 1HD2 LEU 61 124.245 6.506 -0.428 436 2HD2 LEU 61 2HD2 LEU 61 124.960 6.501 -2.040 437 3HD2 LEU 61 3HD2 LEU 61 125.548 5.381 -0.812 438 H ALA 62 H ALA 62 125.662 2.196 -3.369 439 HA ALA 62 HA ALA 62 126.665 1.736 -6.092 440 1HB ALA 62 1HB ALA 62 127.861 0.456 -3.654 441 2HB ALA 62 2HB ALA 62 128.472 1.957 -4.344 442 3HB ALA 62 3HB ALA 62 128.496 0.472 -5.298 443 H LEU 63 H LEU 63 126.677 -0.549 -6.748 444 HA LEU 63 HA LEU 63 124.180 -1.756 -6.414 445 1HB LEU 63 1HB LEU 63 125.870 -2.053 -8.285 446 2HB LEU 63 2HB LEU 63 126.677 -3.210 -7.242 447 HG LEU 63 HG LEU 63 123.907 -3.885 -7.370 448 1HD1 LEU 63 1HD1 LEU 63 125.210 -3.282 -9.999 449 2HD1 LEU 63 2HD1 LEU 63 123.600 -2.838 -9.429 450 3HD1 LEU 63 3HD1 LEU 63 123.957 -4.515 -9.846 451 1HD2 LEU 63 1HD2 LEU 63 124.725 -5.985 -7.667 452 2HD2 LEU 63 2HD2 LEU 63 126.184 -5.202 -7.056 453 3HD2 LEU 63 3HD2 LEU 63 125.980 -5.459 -8.789 454 H TRP 64 H TRP 64 127.141 -2.170 -4.598 455 HA TRP 64 HA TRP 64 126.184 -4.536 -3.255 456 1HB TRP 64 1HB TRP 64 128.325 -4.196 -1.957 457 2HB TRP 64 2HB TRP 64 128.542 -4.406 -3.700 458 HD1 TRP 64 HD1 TRP 64 129.643 -2.416 -4.999 459 HE1 TRP 64 HE1 TRP 64 130.557 -0.122 -4.292 460 HE3 TRP 64 HE3 TRP 64 127.778 -2.309 -0.373 461 HZ2 TRP 64 HZ2 TRP 64 130.477 1.524 -1.944 462 HZ3 TRP 64 HZ3 TRP 64 128.232 -0.343 1.080 463 HH2 TRP 64 HH2 TRP 64 129.539 1.527 0.295 464 H LYS 65 H LYS 65 126.484 -1.111 -2.838 465 HA LYS 65 HA LYS 65 125.789 -1.019 -0.072 466 1HB LYS 65 1HB LYS 65 126.738 0.830 -1.811 467 2HB LYS 65 2HB LYS 65 125.033 1.265 -1.809 468 1HG LYS 65 1HG LYS 65 127.001 1.345 0.446 469 2HG LYS 65 2HG LYS 65 125.954 2.625 -0.171 470 1HD LYS 65 1HD LYS 65 124.018 1.590 0.782 471 2HD LYS 65 2HD LYS 65 124.935 0.144 1.215 472 1HE LYS 65 1HE LYS 65 125.026 1.154 3.232 473 2HE LYS 65 2HE LYS 65 126.388 2.009 2.492 474 1HZ LYS 65 1HZ LYS 65 124.064 3.107 3.538 475 2HZ LYS 65 2HZ LYS 65 123.970 3.327 1.863 476 3HZ LYS 65 3HZ LYS 65 125.305 3.913 2.718 477 H ARG 66 H ARG 66 123.932 -0.148 -2.985 478 HA ARG 66 HA ARG 66 121.422 0.156 -1.953 479 1HB ARG 66 1HB ARG 66 122.143 -1.246 -4.531 480 2HB ARG 66 2HB ARG 66 120.562 -0.590 -4.144 481 1HG ARG 66 1HG ARG 66 121.861 1.637 -3.823 482 2HG ARG 66 2HG ARG 66 123.091 0.833 -4.801 483 1HD ARG 66 1HD ARG 66 120.541 0.422 -6.010 484 2HD ARG 66 2HD ARG 66 120.742 2.147 -5.669 485 HE ARG 66 HE ARG 66 122.049 0.660 -7.692 486 1HH1 ARG 66 1HH1 ARG 66 122.617 3.209 -5.378 487 2HH1 ARG 66 2HH1 ARG 66 123.850 3.966 -6.329 488 1HH2 ARG 66 1HH2 ARG 66 123.671 1.652 -8.941 489 2HH2 ARG 66 2HH2 ARG 66 124.450 3.082 -8.351 490 H ASN 67 H ASN 67 123.019 -2.843 -2.885 491 HA ASN 67 HA ASN 67 120.897 -4.606 -2.373 492 1HB ASN 67 1HB ASN 67 123.830 -4.826 -2.675 493 2HB ASN 67 2HB ASN 67 123.064 -6.135 -1.772 494 1HD2 ASN 67 1HD2 ASN 67 122.524 -4.229 -4.720 495 2HD2 ASN 67 2HD2 ASN 67 122.052 -5.568 -5.702 496 H GLU 68 H GLU 68 123.752 -4.190 -0.287 497 HA GLU 68 HA GLU 68 122.928 -5.449 1.958 498 1HB GLU 68 1HB GLU 68 124.732 -3.155 1.452 499 2HB GLU 68 2HB GLU 68 124.241 -3.411 3.120 500 1HG GLU 68 1HG GLU 68 125.009 -5.795 2.860 501 2HG GLU 68 2HG GLU 68 125.717 -5.309 1.320 502 H LEU 69 H LEU 69 122.027 -2.168 0.986 503 HA LEU 69 HA LEU 69 120.710 -1.459 3.374 504 1HB LEU 69 1HB LEU 69 119.974 -0.525 0.611 505 2HB LEU 69 2HB LEU 69 119.679 0.298 2.129 506 HG LEU 69 HG LEU 69 122.462 -0.295 1.366 507 1HD1 LEU 69 1HD1 LEU 69 121.625 2.312 0.479 508 2HD1 LEU 69 2HD1 LEU 69 120.778 1.030 -0.376 509 3HD1 LEU 69 3HD1 LEU 69 122.538 1.074 -0.379 510 1HD2 LEU 69 1HD2 LEU 69 122.573 0.728 3.373 511 2HD2 LEU 69 2HD2 LEU 69 121.003 1.507 3.175 512 3HD2 LEU 69 3HD2 LEU 69 122.430 2.189 2.395 513 H LYS 70 H LYS 70 119.287 -2.370 0.271 514 HA LYS 70 HA LYS 70 116.677 -2.847 1.216 515 1HB LYS 70 1HB LYS 70 118.248 -3.660 -1.189 516 2HB LYS 70 2HB LYS 70 116.730 -4.486 -0.872 517 1HG LYS 70 1HG LYS 70 115.472 -2.658 -1.346 518 2HG LYS 70 2HG LYS 70 116.703 -1.528 -0.771 519 1HD LYS 70 1HD LYS 70 116.474 -1.319 -3.166 520 2HD LYS 70 2HD LYS 70 118.045 -2.028 -2.788 521 1HE LYS 70 1HE LYS 70 116.557 -4.262 -3.047 522 2HE LYS 70 2HE LYS 70 115.716 -3.194 -4.170 523 1HZ LYS 70 1HZ LYS 70 118.225 -2.737 -4.881 524 2HZ LYS 70 2HZ LYS 70 117.287 -3.965 -5.570 525 3HZ LYS 70 3HZ LYS 70 118.387 -4.332 -4.339 526 H LYS 71 H LYS 71 119.583 -4.647 1.476 527 HA LYS 71 HA LYS 71 118.306 -7.172 2.044 528 1HB LYS 71 1HB LYS 71 121.161 -6.196 1.974 529 2HB LYS 71 2HB LYS 71 120.747 -7.801 2.583 530 1HG LYS 71 1HG LYS 71 119.902 -8.476 0.482 531 2HG LYS 71 2HG LYS 71 119.922 -6.819 -0.131 532 1HD LYS 71 1HD LYS 71 121.819 -7.728 -1.103 533 2HD LYS 71 2HD LYS 71 122.474 -6.952 0.340 534 1HE LYS 71 1HE LYS 71 121.624 -9.659 0.891 535 2HE LYS 71 2HE LYS 71 122.787 -9.611 -0.433 536 1HZ LYS 71 1HZ LYS 71 123.337 -9.481 2.261 537 2HZ LYS 71 2HZ LYS 71 123.599 -7.910 1.692 538 3HZ LYS 71 3HZ LYS 71 124.421 -9.212 0.991 539 H LYS 72 H LYS 72 119.594 -4.461 3.803 540 HA LYS 72 HA LYS 72 119.361 -5.871 6.342 541 1HB LYS 72 1HB LYS 72 121.396 -4.581 6.061 542 2HB LYS 72 2HB LYS 72 120.468 -3.143 5.660 543 1HG LYS 72 1HG LYS 72 119.663 -4.189 8.221 544 2HG LYS 72 2HG LYS 72 121.408 -3.912 8.170 545 1HD LYS 72 1HD LYS 72 120.873 -1.792 8.683 546 2HD LYS 72 2HD LYS 72 120.456 -1.654 6.974 547 1HE LYS 72 1HE LYS 72 118.697 -0.810 8.522 548 2HE LYS 72 2HE LYS 72 118.148 -2.083 7.434 549 1HZ LYS 72 1HZ LYS 72 117.698 -2.100 10.048 550 2HZ LYS 72 2HZ LYS 72 119.156 -2.957 10.016 551 3HZ LYS 72 3HZ LYS 72 117.830 -3.514 9.126 552 H ALA 73 H ALA 73 117.770 -3.643 4.318 553 HA ALA 73 HA ALA 73 116.104 -2.453 6.345 554 1HB ALA 73 1HB ALA 73 116.497 -2.178 3.428 555 2HB ALA 73 2HB ALA 73 116.361 -0.937 4.672 556 3HB ALA 73 3HB ALA 73 114.912 -1.740 4.064 557 H GLU 74 H GLU 74 116.152 -5.477 5.166 558 HA GLU 74 HA GLU 74 114.648 -7.178 5.170 559 1HB GLU 74 1HB GLU 74 112.636 -5.166 6.184 560 2HB GLU 74 2HB GLU 74 112.529 -6.912 6.307 561 1HG GLU 74 1HG GLU 74 114.546 -6.886 7.747 562 2HG GLU 74 2HG GLU 74 114.505 -5.124 7.700 563 H LEU 75 H LEU 75 114.904 -5.090 2.963 564 HA LEU 75 HA LEU 75 112.676 -6.102 1.415 565 1HB LEU 75 1HB LEU 75 112.812 -3.500 0.506 566 2HB LEU 75 2HB LEU 75 111.528 -4.204 1.477 567 HG LEU 75 HG LEU 75 113.544 -3.393 3.257 568 1HD1 LEU 75 1HD1 LEU 75 114.619 -1.910 1.845 569 2HD1 LEU 75 2HD1 LEU 75 113.423 -0.881 2.636 570 3HD1 LEU 75 3HD1 LEU 75 113.130 -1.481 0.999 571 1HD2 LEU 75 1HD2 LEU 75 110.753 -2.748 2.608 572 2HD2 LEU 75 2HD2 LEU 75 111.630 -1.509 3.508 573 3HD2 LEU 75 3HD2 LEU 75 111.499 -3.144 4.157 574 H PHE 76 H PHE 76 114.662 -7.336 0.766 575 HA PHE 76 HA PHE 76 115.808 -5.996 -1.595 576 1HB PHE 76 1HB PHE 76 117.754 -6.126 -0.387 577 2HB PHE 76 2HB PHE 76 117.209 -7.518 0.552 578 HD1 PHE 76 HD1 PHE 76 118.744 -6.408 -2.589 579 HD2 PHE 76 HD2 PHE 76 117.607 -9.758 -0.223 580 HE1 PHE 76 HE1 PHE 76 120.106 -7.875 -4.020 581 HE2 PHE 76 HE2 PHE 76 118.968 -11.232 -1.650 582 HZ PHE 76 HZ PHE 76 120.219 -10.291 -3.552 Start of MODEL 9 1 HT1 PRO 9 HT1 PRO 9 101.433 13.817 -8.334 2 HT2 PRO 9 HT2 PRO 9 101.633 12.375 -7.569 3 HA PRO 9 HA PRO 9 103.439 14.157 -8.150 4 1HB PRO 9 1HB PRO 9 103.715 14.222 -5.253 5 2HB PRO 9 2HB PRO 9 103.784 15.553 -6.416 6 1HG PRO 9 1HG PRO 9 101.718 15.216 -4.689 7 2HG PRO 9 2HG PRO 9 101.534 15.960 -6.288 8 1HD PRO 9 1HD PRO 9 100.919 13.147 -5.425 9 2HD PRO 9 2HD PRO 9 99.957 14.243 -6.436 10 H GLY 10 H GLY 10 103.151 11.551 -8.590 11 1HA GLY 10 1HA GLY 10 104.960 9.936 -8.589 12 2HA GLY 10 2HA GLY 10 105.249 10.339 -6.905 13 H LEU 11 H LEU 11 104.904 8.558 -5.807 14 HA LEU 11 HA LEU 11 102.395 7.102 -6.286 15 1HB LEU 11 1HB LEU 11 103.835 5.253 -5.018 16 2HB LEU 11 2HB LEU 11 103.815 5.415 -6.762 17 HG LEU 11 HG LEU 11 106.074 5.056 -5.803 18 1HD1 LEU 11 1HD1 LEU 11 106.358 7.747 -6.903 19 2HD1 LEU 11 2HD1 LEU 11 105.331 6.677 -7.857 20 3HD1 LEU 11 3HD1 LEU 11 106.989 6.206 -7.482 21 1HD2 LEU 11 1HD2 LEU 11 105.287 6.911 -3.910 22 2HD2 LEU 11 2HD2 LEU 11 106.454 7.785 -4.901 23 3HD2 LEU 11 3HD2 LEU 11 106.911 6.264 -4.134 24 H GLN 12 H GLN 12 101.574 5.931 -4.354 25 HA GLN 12 HA GLN 12 101.410 7.761 -2.151 26 1HB GLN 12 1HB GLN 12 100.113 5.501 -1.279 27 2HB GLN 12 2HB GLN 12 99.365 6.830 -2.153 28 1HG GLN 12 1HG GLN 12 99.529 5.658 -4.216 29 2HG GLN 12 2HG GLN 12 100.541 4.411 -3.495 30 1HE2 GLN 12 1HE2 GLN 12 98.410 3.573 -4.833 31 2HE2 GLN 12 2HE2 GLN 12 97.165 3.024 -3.769 32 H ILE 13 H ILE 13 102.280 7.648 -0.182 33 HA ILE 13 HA ILE 13 104.387 5.668 0.235 34 HB ILE 13 HB ILE 13 103.815 8.065 1.963 35 1HG1 ILE 13 1HG1 ILE 13 104.129 8.648 -0.495 36 2HG1 ILE 13 2HG1 ILE 13 105.258 9.399 0.630 37 1HG2 ILE 13 1HG2 ILE 13 105.301 6.638 3.060 38 2HG2 ILE 13 2HG2 ILE 13 106.341 7.832 2.283 39 3HG2 ILE 13 3HG2 ILE 13 106.153 6.232 1.569 40 1HD1 ILE 13 1HD1 ILE 13 106.444 8.669 -1.316 41 2HD1 ILE 13 2HD1 ILE 13 105.794 7.038 -1.152 42 3HD1 ILE 13 3HD1 ILE 13 106.918 7.666 0.054 43 H TYR 14 H TYR 14 104.555 4.444 2.156 44 HA TYR 14 HA TYR 14 102.312 4.477 4.017 45 1HB TYR 14 1HB TYR 14 103.041 1.759 3.149 46 2HB TYR 14 2HB TYR 14 101.459 2.453 3.482 47 HD1 TYR 14 HD1 TYR 14 104.101 2.159 0.924 48 HD2 TYR 14 HD2 TYR 14 100.046 3.177 1.707 49 HE1 TYR 14 HE1 TYR 14 103.663 2.227 -1.490 50 HE2 TYR 14 HE2 TYR 14 99.595 3.252 -0.712 51 HH TYR 14 HH TYR 14 102.100 3.181 -3.049 52 HA PRO 15 HA PRO 15 105.098 3.134 7.203 53 1HB PRO 15 1HB PRO 15 103.942 0.389 7.260 54 2HB PRO 15 2HB PRO 15 104.151 1.551 8.579 55 1HG PRO 15 1HG PRO 15 101.742 1.098 7.533 56 2HG PRO 15 2HG PRO 15 102.234 2.730 8.021 57 1HD PRO 15 1HD PRO 15 102.048 1.539 5.285 58 2HD PRO 15 2HD PRO 15 101.675 3.191 5.828 59 H TYR 16 H TYR 16 106.816 1.427 7.747 60 HA TYR 16 HA TYR 16 108.132 0.703 5.276 61 1HB TYR 16 1HB TYR 16 109.725 1.538 6.691 62 2HB TYR 16 2HB TYR 16 108.915 0.934 8.135 63 HD1 TYR 16 HD1 TYR 16 110.973 -0.142 5.230 64 HD2 TYR 16 HD2 TYR 16 109.633 -1.030 9.164 65 HE1 TYR 16 HE1 TYR 16 112.560 -2.011 5.328 66 HE2 TYR 16 HE2 TYR 16 111.221 -2.905 9.288 67 HH TYR 16 HH TYR 16 113.435 -3.516 8.165 68 H GLU 17 H GLU 17 107.512 -1.109 8.293 69 HA GLU 17 HA GLU 17 108.076 -3.642 7.423 70 1HB GLU 17 1HB GLU 17 106.352 -4.408 9.115 71 2HB GLU 17 2HB GLU 17 107.606 -3.333 9.717 72 1HG GLU 17 1HG GLU 17 105.625 -1.591 8.960 73 2HG GLU 17 2HG GLU 17 104.723 -2.969 9.598 74 H MET 18 H MET 18 105.318 -1.707 6.592 75 HA MET 18 HA MET 18 103.677 -3.854 5.676 76 1HB MET 18 1HB MET 18 103.586 -0.884 5.561 77 2HB MET 18 2HB MET 18 102.612 -1.771 4.399 78 1HG MET 18 1HG MET 18 102.489 -2.170 7.378 79 2HG MET 18 2HG MET 18 101.396 -1.133 6.456 80 1HE MET 18 1HE MET 18 99.620 -1.568 5.468 81 2HE MET 18 2HE MET 18 98.635 -2.988 5.818 82 3HE MET 18 3HE MET 18 99.496 -2.868 4.283 83 H LEU 19 H LEU 19 106.263 -2.010 4.272 84 HA LEU 19 HA LEU 19 105.601 -3.052 1.597 85 1HB LEU 19 1HB LEU 19 107.887 -1.225 1.846 86 2HB LEU 19 2HB LEU 19 106.578 -1.234 0.685 87 HG LEU 19 HG LEU 19 106.605 -0.005 3.424 88 1HD1 LEU 19 1HD1 LEU 19 106.342 2.048 2.317 89 2HD1 LEU 19 2HD1 LEU 19 105.928 1.265 0.791 90 3HD1 LEU 19 3HD1 LEU 19 107.579 1.184 1.405 91 1HD2 LEU 19 1HD2 LEU 19 104.414 -0.266 3.596 92 2HD2 LEU 19 2HD2 LEU 19 104.390 -1.175 2.086 93 3HD2 LEU 19 3HD2 LEU 19 104.193 0.576 2.063 94 H VAL 20 H VAL 20 107.225 -4.189 4.127 95 HA VAL 20 HA VAL 20 109.830 -4.688 3.259 96 HB VAL 20 HB VAL 20 108.192 -6.662 4.842 97 1HG1 VAL 20 1HG1 VAL 20 110.364 -7.119 5.916 98 2HG1 VAL 20 2HG1 VAL 20 111.126 -5.995 4.793 99 3HG1 VAL 20 3HG1 VAL 20 110.374 -7.476 4.187 100 1HG2 VAL 20 1HG2 VAL 20 108.108 -5.339 6.610 101 2HG2 VAL 20 2HG2 VAL 20 108.489 -4.011 5.510 102 3HG2 VAL 20 3HG2 VAL 20 109.779 -4.816 6.404 103 H VAL 21 H VAL 21 110.727 -6.738 2.392 104 HA VAL 21 HA VAL 21 109.019 -7.637 0.213 105 HB VAL 21 HB VAL 21 111.953 -8.173 0.651 106 1HG1 VAL 21 1HG1 VAL 21 110.011 -8.926 -1.439 107 2HG1 VAL 21 2HG1 VAL 21 111.495 -9.727 -0.926 108 3HG1 VAL 21 3HG1 VAL 21 111.572 -8.336 -2.007 109 1HG2 VAL 21 1HG2 VAL 21 112.455 -6.320 -0.676 110 2HG2 VAL 21 2HG2 VAL 21 111.182 -5.742 0.397 111 3HG2 VAL 21 3HG2 VAL 21 110.801 -6.180 -1.269 112 H THR 22 H THR 22 111.401 -9.372 2.268 113 HA THR 22 HA THR 22 109.667 -11.727 2.011 114 HB THR 22 HB THR 22 112.103 -11.719 1.234 115 HG1 THR 22 HG1 THR 22 112.333 -13.885 1.930 116 1HG2 THR 22 1HG2 THR 22 113.115 -10.735 3.240 117 2HG2 THR 22 2HG2 THR 22 113.785 -12.318 2.845 118 3HG2 THR 22 3HG2 THR 22 112.624 -12.156 4.162 119 H ASN 23 H ASN 23 111.669 -10.112 4.449 120 HA ASN 23 HA ASN 23 111.160 -11.650 6.634 121 1HB ASN 23 1HB ASN 23 111.411 -8.643 6.583 122 2HB ASN 23 2HB ASN 23 111.637 -9.668 8.001 123 1HD2 ASN 23 1HD2 ASN 23 112.907 -8.760 4.886 124 2HD2 ASN 23 2HD2 ASN 23 114.504 -9.371 5.134 125 H LYS 24 H LYS 24 109.026 -9.089 5.386 126 HA LYS 24 HA LYS 24 107.055 -9.960 7.397 127 1HB LYS 24 1HB LYS 24 107.904 -7.301 6.528 128 2HB LYS 24 2HB LYS 24 106.155 -7.503 6.573 129 1HG LYS 24 1HG LYS 24 106.927 -6.628 8.673 130 2HG LYS 24 2HG LYS 24 106.340 -8.275 8.907 131 1HD LYS 24 1HD LYS 24 108.423 -7.903 10.127 132 2HD LYS 24 2HD LYS 24 108.639 -9.106 8.854 133 1HE LYS 24 1HE LYS 24 110.194 -7.873 7.839 134 2HE LYS 24 2HE LYS 24 109.176 -6.434 7.886 135 1HZ LYS 24 1HZ LYS 24 111.089 -5.935 9.131 136 2HZ LYS 24 2HZ LYS 24 111.047 -7.405 9.966 137 3HZ LYS 24 3HZ LYS 24 109.879 -6.222 10.278 138 H GLY 25 H GLY 25 107.478 -11.067 4.661 139 1HA GLY 25 1HA GLY 25 105.209 -11.957 3.807 140 2HA GLY 25 2HA GLY 25 104.931 -10.270 3.412 141 H ARG 26 H ARG 26 104.821 -10.392 1.243 142 HA ARG 26 HA ARG 26 107.293 -10.984 -0.175 143 1HB ARG 26 1HB ARG 26 104.758 -12.046 -1.340 144 2HB ARG 26 2HB ARG 26 106.412 -12.560 -1.605 145 1HG ARG 26 1HG ARG 26 105.483 -14.311 -0.412 146 2HG ARG 26 2HG ARG 26 106.342 -13.385 0.820 147 1HD ARG 26 1HD ARG 26 104.437 -12.745 1.856 148 2HD ARG 26 2HD ARG 26 103.543 -12.602 0.345 149 HE ARG 26 HE ARG 26 102.824 -14.763 0.598 150 1HH1 ARG 26 1HH1 ARG 26 105.461 -14.172 2.807 151 2HH1 ARG 26 2HH1 ARG 26 105.252 -15.668 3.653 152 1HH2 ARG 26 1HH2 ARG 26 102.548 -16.732 1.710 153 2HH2 ARG 26 2HH2 ARG 26 103.599 -17.122 3.030 154 H THR 27 H THR 27 103.901 -10.341 -1.017 155 HA THR 27 HA THR 27 104.675 -7.783 -2.208 156 HB THR 27 HB THR 27 104.485 -9.922 -3.737 157 HG1 THR 27 HG1 THR 27 104.180 -8.531 -5.432 158 1HG2 THR 27 1HG2 THR 27 102.484 -10.512 -4.571 159 2HG2 THR 27 2HG2 THR 27 101.780 -8.915 -4.320 160 3HG2 THR 27 3HG2 THR 27 101.959 -10.026 -2.961 161 H LYS 28 H LYS 28 103.073 -8.995 0.064 162 HA LYS 28 HA LYS 28 100.369 -8.198 -0.394 163 1HB LYS 28 1HB LYS 28 101.867 -9.147 2.026 164 2HB LYS 28 2HB LYS 28 100.162 -8.710 2.082 165 1HG LYS 28 1HG LYS 28 100.627 -11.155 1.827 166 2HG LYS 28 2HG LYS 28 99.574 -10.463 0.593 167 1HD LYS 28 1HD LYS 28 101.404 -10.379 -0.986 168 2HD LYS 28 2HD LYS 28 102.540 -10.915 0.254 169 1HE LYS 28 1HE LYS 28 101.571 -13.073 0.340 170 2HE LYS 28 2HE LYS 28 100.162 -12.556 -0.585 171 1HZ LYS 28 1HZ LYS 28 101.213 -12.932 -2.494 172 2HZ LYS 28 2HZ LYS 28 102.380 -13.764 -1.596 173 3HZ LYS 28 3HZ LYS 28 102.622 -12.138 -1.993 174 H LEU 29 H LEU 29 102.720 -6.139 -0.298 175 HA LEU 29 HA LEU 29 102.304 -4.450 1.898 176 1HB LEU 29 1HB LEU 29 102.710 -2.925 -0.545 177 2HB LEU 29 2HB LEU 29 103.637 -2.925 0.936 178 HG LEU 29 HG LEU 29 105.048 -3.446 -0.923 179 1HD1 LEU 29 1HD1 LEU 29 105.250 -6.128 -0.107 180 2HD1 LEU 29 2HD1 LEU 29 104.629 -5.255 1.296 181 3HD1 LEU 29 3HD1 LEU 29 106.135 -4.745 0.535 182 1HD2 LEU 29 1HD2 LEU 29 102.809 -4.757 -1.899 183 2HD2 LEU 29 2HD2 LEU 29 104.018 -6.021 -1.656 184 3HD2 LEU 29 3HD2 LEU 29 104.396 -4.620 -2.653 185 HA PRO 30 HA PRO 30 98.544 -2.232 1.339 186 1HB PRO 30 1HB PRO 30 100.028 0.301 0.905 187 2HB PRO 30 2HB PRO 30 98.833 -0.103 2.145 188 1HG PRO 30 1HG PRO 30 101.440 0.108 2.733 189 2HG PRO 30 2HG PRO 30 100.401 -1.096 3.523 190 1HD PRO 30 1HD PRO 30 102.415 -1.465 1.336 191 2HD PRO 30 2HD PRO 30 102.013 -2.534 2.698 192 HA PRO 31 HA PRO 31 97.821 -1.245 -2.934 193 1HB PRO 31 1HB PRO 31 96.671 1.400 -2.591 194 2HB PRO 31 2HB PRO 31 95.853 -0.127 -2.937 195 1HG PRO 31 1HG PRO 31 95.605 1.199 -0.571 196 2HG PRO 31 2HG PRO 31 95.451 -0.560 -0.724 197 1HD PRO 31 1HD PRO 31 97.789 1.065 0.213 198 2HD PRO 31 2HD PRO 31 97.144 -0.461 0.860 199 H GLY 32 H GLY 32 99.474 -0.849 -4.300 200 1HA GLY 32 1HA GLY 32 100.620 0.660 -5.738 201 2HA GLY 32 2HA GLY 32 100.457 1.909 -4.515 202 H VAL 33 H VAL 33 101.651 -1.367 -4.003 203 HA VAL 33 HA VAL 33 104.393 -0.383 -3.675 204 HB VAL 33 HB VAL 33 103.567 -2.314 -1.664 205 1HG1 VAL 33 1HG1 VAL 33 105.304 -1.467 -0.545 206 2HG1 VAL 33 2HG1 VAL 33 104.860 0.198 -0.912 207 3HG1 VAL 33 3HG1 VAL 33 105.726 -0.768 -2.106 208 1HG2 VAL 33 1HG2 VAL 33 102.801 -0.193 -0.252 209 2HG2 VAL 33 2HG2 VAL 33 101.657 -1.175 -1.160 210 3HG2 VAL 33 3HG2 VAL 33 102.248 0.338 -1.838 211 H ASP 34 H ASP 34 105.805 -1.636 -4.639 212 HA ASP 34 HA ASP 34 105.307 -4.504 -4.871 213 1HB ASP 34 1HB ASP 34 104.584 -2.972 -6.960 214 2HB ASP 34 2HB ASP 34 106.292 -3.188 -7.345 215 H ARG 35 H ARG 35 107.176 -5.753 -5.152 216 HA ARG 35 HA ARG 35 109.473 -4.939 -3.881 217 1HB ARG 35 1HB ARG 35 108.895 -7.125 -5.839 218 2HB ARG 35 2HB ARG 35 110.553 -6.845 -5.328 219 1HG ARG 35 1HG ARG 35 110.216 -7.877 -3.394 220 2HG ARG 35 2HG ARG 35 108.770 -6.917 -3.061 221 1HD ARG 35 1HD ARG 35 108.225 -9.281 -3.137 222 2HD ARG 35 2HD ARG 35 107.452 -8.427 -4.469 223 HE ARG 35 HE ARG 35 109.707 -10.290 -4.665 224 1HH1 ARG 35 1HH1 ARG 35 107.336 -8.268 -6.258 225 2HH1 ARG 35 2HH1 ARG 35 107.590 -8.990 -7.809 226 1HH2 ARG 35 1HH2 ARG 35 110.033 -11.229 -6.707 227 2HH2 ARG 35 2HH2 ARG 35 109.117 -10.666 -8.065 228 H MET 36 H MET 36 108.520 -4.330 -7.154 229 HA MET 36 HA MET 36 110.940 -3.903 -8.418 230 1HB MET 36 1HB MET 36 108.267 -2.552 -8.732 231 2HB MET 36 2HB MET 36 109.635 -2.160 -9.764 232 1HG MET 36 1HG MET 36 109.479 -4.942 -9.799 233 2HG MET 36 2HG MET 36 107.806 -4.381 -9.892 234 1HE MET 36 1HE MET 36 107.164 -3.229 -13.150 235 2HE MET 36 2HE MET 36 106.702 -3.944 -11.606 236 3HE MET 36 3HE MET 36 107.339 -4.965 -12.895 237 H ARG 37 H ARG 37 109.150 -1.739 -6.268 238 HA ARG 37 HA ARG 37 111.578 -0.196 -5.854 239 1HB ARG 37 1HB ARG 37 110.218 1.957 -6.139 240 2HB ARG 37 2HB ARG 37 110.742 1.127 -7.596 241 1HG ARG 37 1HG ARG 37 108.095 0.342 -6.592 242 2HG ARG 37 2HG ARG 37 108.230 2.006 -7.162 243 1HD ARG 37 1HD ARG 37 109.124 1.204 -9.291 244 2HD ARG 37 2HD ARG 37 109.002 -0.460 -8.719 245 HE ARG 37 HE ARG 37 106.500 0.902 -8.587 246 1HH1 ARG 37 1HH1 ARG 37 108.680 -0.735 -10.766 247 2HH1 ARG 37 2HH1 ARG 37 107.429 -1.197 -11.869 248 1HH2 ARG 37 1HH2 ARG 37 104.853 0.296 -10.039 249 2HH2 ARG 37 2HH2 ARG 37 105.257 -0.610 -11.459 250 H LEU 38 H LEU 38 110.645 -1.812 -3.978 251 HA LEU 38 HA LEU 38 108.657 -0.700 -2.290 252 1HB LEU 38 1HB LEU 38 110.693 -2.860 -2.047 253 2HB LEU 38 2HB LEU 38 109.949 -2.250 -0.575 254 HG LEU 38 HG LEU 38 108.451 -3.398 -2.936 255 1HD1 LEU 38 1HD1 LEU 38 109.211 -5.323 -2.036 256 2HD1 LEU 38 2HD1 LEU 38 107.920 -5.039 -0.871 257 3HD1 LEU 38 3HD1 LEU 38 109.577 -4.579 -0.480 258 1HD2 LEU 38 1HD2 LEU 38 106.989 -3.255 -0.475 259 2HD2 LEU 38 2HD2 LEU 38 106.597 -2.588 -2.058 260 3HD2 LEU 38 3HD2 LEU 38 107.583 -1.658 -0.931 261 H GLU 39 H GLU 39 112.116 -0.260 -2.562 262 HA GLU 39 HA GLU 39 112.363 1.168 -0.088 263 1HB GLU 39 1HB GLU 39 114.631 1.346 -0.541 264 2HB GLU 39 2HB GLU 39 114.194 -0.167 -1.322 265 1HG GLU 39 1HG GLU 39 114.530 2.494 -2.686 266 2HG GLU 39 2HG GLU 39 115.682 1.161 -2.708 267 H ARG 40 H ARG 40 110.669 2.008 -2.649 268 HA ARG 40 HA ARG 40 111.507 4.830 -2.555 269 1HB ARG 40 1HB ARG 40 111.422 3.242 -4.772 270 2HB ARG 40 2HB ARG 40 109.821 3.969 -4.809 271 1HG ARG 40 1HG ARG 40 112.162 5.748 -4.383 272 2HG ARG 40 2HG ARG 40 111.880 5.097 -5.999 273 1HD ARG 40 1HD ARG 40 109.714 6.077 -6.101 274 2HD ARG 40 2HD ARG 40 109.761 6.508 -4.393 275 HE ARG 40 HE ARG 40 111.853 7.710 -5.961 276 1HH1 ARG 40 1HH1 ARG 40 108.561 8.029 -4.844 277 2HH1 ARG 40 2HH1 ARG 40 108.537 9.751 -5.020 278 1HH2 ARG 40 1HH2 ARG 40 111.821 9.975 -6.193 279 2HH2 ARG 40 2HH2 ARG 40 110.387 10.856 -5.787 280 H HIS 41 H HIS 41 109.168 2.557 -1.809 281 HA HIS 41 HA HIS 41 106.906 4.364 -1.892 282 1HB HIS 41 1HB HIS 41 107.287 1.463 -1.171 283 2HB HIS 41 2HB HIS 41 105.767 2.301 -0.904 284 HD1 HIS 41 HD1 HIS 41 105.193 3.758 -3.385 285 HD2 HIS 41 HD2 HIS 41 107.057 0.046 -3.445 286 HE1 HIS 41 HE1 HIS 41 104.805 2.847 -5.696 287 HE2 HIS 41 HE2 HIS 41 106.018 0.640 -5.737 288 H LEU 42 H LEU 42 109.448 3.835 0.153 289 HA LEU 42 HA LEU 42 108.045 4.028 2.656 290 1HB LEU 42 1HB LEU 42 110.967 4.126 1.914 291 2HB LEU 42 2HB LEU 42 110.368 4.185 3.567 292 HG LEU 42 HG LEU 42 109.320 1.916 2.062 293 1HD1 LEU 42 1HD1 LEU 42 111.968 2.478 1.502 294 2HD1 LEU 42 2HD1 LEU 42 111.153 0.924 1.316 295 3HD1 LEU 42 3HD1 LEU 42 112.043 1.279 2.798 296 1HD2 LEU 42 1HD2 LEU 42 109.228 2.416 4.529 297 2HD2 LEU 42 2HD2 LEU 42 110.932 1.963 4.580 298 3HD2 LEU 42 3HD2 LEU 42 109.719 0.787 4.069 299 H SER 43 H SER 43 108.016 5.798 4.016 300 HA SER 43 HA SER 43 108.149 8.363 2.714 301 1HB SER 43 1HB SER 43 106.337 8.229 4.183 302 2HB SER 43 2HB SER 43 107.284 7.408 5.428 303 HG SER 43 HG SER 43 106.886 9.594 5.962 304 H ALA 44 H ALA 44 109.292 10.209 3.681 305 HA ALA 44 HA ALA 44 112.013 9.866 3.794 306 1HB ALA 44 1HB ALA 44 110.598 12.032 3.639 307 2HB ALA 44 2HB ALA 44 112.190 12.101 4.395 308 3HB ALA 44 3HB ALA 44 110.739 12.051 5.397 309 H GLU 45 H GLU 45 109.688 9.448 6.339 310 HA GLU 45 HA GLU 45 111.649 9.362 8.455 311 1HB GLU 45 1HB GLU 45 109.129 8.005 9.037 312 2HB GLU 45 2HB GLU 45 109.884 9.360 9.855 313 1HG GLU 45 1HG GLU 45 109.005 10.675 7.747 314 2HG GLU 45 2HG GLU 45 107.864 9.331 7.688 315 H ASP 46 H ASP 46 109.570 7.019 6.809 316 HA ASP 46 HA ASP 46 110.581 4.707 7.988 317 1HB ASP 46 1HB ASP 46 109.506 4.980 5.174 318 2HB ASP 46 2HB ASP 46 109.584 3.500 6.129 319 H PHE 47 H PHE 47 111.464 6.166 4.840 320 HA PHE 47 HA PHE 47 113.497 4.384 4.188 321 1HB PHE 47 1HB PHE 47 112.383 6.285 2.805 322 2HB PHE 47 2HB PHE 47 113.658 7.299 3.483 323 HD1 PHE 47 HD1 PHE 47 113.117 4.128 1.640 324 HD2 PHE 47 HD2 PHE 47 115.726 7.382 2.471 325 HE1 PHE 47 HE1 PHE 47 114.679 3.329 -0.107 326 HE2 PHE 47 HE2 PHE 47 117.285 6.593 0.737 327 HZ PHE 47 HZ PHE 47 116.758 4.570 -0.558 328 H SER 48 H SER 48 113.780 7.592 5.712 329 HA SER 48 HA SER 48 116.547 7.418 6.189 330 1HB SER 48 1HB SER 48 115.057 9.505 6.203 331 2HB SER 48 2HB SER 48 114.640 9.053 7.857 332 HG SER 48 HG SER 48 116.420 10.010 8.398 333 H ARG 49 H ARG 49 113.940 5.849 7.712 334 HA ARG 49 HA ARG 49 115.340 5.539 10.250 335 1HB ARG 49 1HB ARG 49 112.925 5.951 10.302 336 2HB ARG 49 2HB ARG 49 112.647 4.499 9.350 337 1HG ARG 49 1HG ARG 49 112.273 3.587 11.368 338 2HG ARG 49 2HG ARG 49 114.032 3.446 11.397 339 1HD ARG 49 1HD ARG 49 114.204 5.532 12.624 340 2HD ARG 49 2HD ARG 49 112.455 5.752 12.536 341 HE ARG 49 HE ARG 49 113.247 3.289 13.787 342 1HH1 ARG 49 1HH1 ARG 49 112.626 6.685 14.298 343 2HH1 ARG 49 2HH1 ARG 49 112.283 6.496 15.986 344 1HH2 ARG 49 1HH2 ARG 49 112.795 3.039 16.005 345 2HH2 ARG 49 2HH2 ARG 49 112.379 4.426 16.955 346 H VAL 50 H VAL 50 114.442 3.665 7.408 347 HA VAL 50 HA VAL 50 115.513 1.220 8.565 348 HB VAL 50 HB VAL 50 114.564 1.566 5.727 349 1HG1 VAL 50 1HG1 VAL 50 115.885 -0.476 6.559 350 2HG1 VAL 50 2HG1 VAL 50 114.392 -0.752 5.662 351 3HG1 VAL 50 3HG1 VAL 50 114.405 -0.900 7.419 352 1HG2 VAL 50 1HG2 VAL 50 112.732 0.419 7.746 353 2HG2 VAL 50 2HG2 VAL 50 112.380 1.351 6.290 354 3HG2 VAL 50 3HG2 VAL 50 112.929 2.171 7.753 355 H PHE 51 H PHE 51 116.365 3.611 6.123 356 HA PHE 51 HA PHE 51 118.847 2.129 5.586 357 1HB PHE 51 1HB PHE 51 117.554 4.344 3.986 358 2HB PHE 51 2HB PHE 51 119.025 3.479 3.544 359 HD1 PHE 51 HD1 PHE 51 115.708 3.742 2.803 360 HD2 PHE 51 HD2 PHE 51 118.614 0.773 3.694 361 HE1 PHE 51 HE1 PHE 51 114.371 2.073 1.575 362 HE2 PHE 51 HE2 PHE 51 117.286 -0.898 2.467 363 HZ PHE 51 HZ PHE 51 115.170 -0.242 1.404 364 H ALA 52 H ALA 52 117.601 5.274 6.589 365 HA ALA 52 HA ALA 52 118.614 6.933 7.817 366 1HB ALA 52 1HB ALA 52 121.237 5.506 7.662 367 2HB ALA 52 2HB ALA 52 119.969 4.962 8.761 368 3HB ALA 52 3HB ALA 52 120.636 6.587 8.920 369 H MET 53 H MET 53 118.789 6.431 4.799 370 HA MET 53 HA MET 53 120.640 8.639 4.216 371 1HB MET 53 1HB MET 53 120.742 7.165 1.934 372 2HB MET 53 2HB MET 53 121.959 7.143 3.206 373 1HG MET 53 1HG MET 53 121.330 5.101 3.974 374 2HG MET 53 2HG MET 53 119.646 5.314 3.491 375 1HE MET 53 1HE MET 53 119.003 5.609 1.011 376 2HE MET 53 2HE MET 53 119.794 4.767 -0.324 377 3HE MET 53 3HE MET 53 120.449 6.291 0.262 378 H SER 54 H SER 54 120.178 9.726 2.198 379 HA SER 54 HA SER 54 117.427 10.388 2.034 380 1HB SER 54 1HB SER 54 119.198 12.037 1.668 381 2HB SER 54 2HB SER 54 119.747 11.144 0.243 382 HG SER 54 HG SER 54 117.191 12.349 0.575 383 HA PRO 55 HA PRO 55 115.840 7.466 -0.915 384 1HB PRO 55 1HB PRO 55 114.507 9.884 -2.050 385 2HB PRO 55 2HB PRO 55 113.809 8.322 -1.612 386 1HG PRO 55 1HG PRO 55 113.463 10.464 -0.056 387 2HG PRO 55 2HG PRO 55 113.698 8.848 0.639 388 1HD PRO 55 1HD PRO 55 115.588 11.142 0.495 389 2HD PRO 55 2HD PRO 55 115.445 9.867 1.724 390 H GLU 56 H GLU 56 117.246 10.541 -1.804 391 HA GLU 56 HA GLU 56 117.705 9.796 -4.550 392 1HB GLU 56 1HB GLU 56 118.686 11.930 -4.815 393 2HB GLU 56 2HB GLU 56 117.364 12.174 -3.678 394 1HG GLU 56 1HG GLU 56 119.113 11.921 -1.845 395 2HG GLU 56 2HG GLU 56 120.311 12.106 -3.130 396 H GLU 57 H GLU 57 119.431 9.787 -1.507 397 HA GLU 57 HA GLU 57 122.034 9.417 -2.395 398 1HB GLU 57 1HB GLU 57 120.577 8.691 0.132 399 2HB GLU 57 2HB GLU 57 122.139 7.942 -0.172 400 1HG GLU 57 1HG GLU 57 121.793 10.901 -0.377 401 2HG GLU 57 2HG GLU 57 122.055 10.112 1.178 402 H PHE 58 H PHE 58 119.609 6.905 -1.608 403 HA PHE 58 HA PHE 58 120.952 4.593 -2.178 404 1HB PHE 58 1HB PHE 58 118.353 5.225 -1.713 405 2HB PHE 58 2HB PHE 58 118.258 4.799 -3.420 406 HD1 PHE 58 HD1 PHE 58 118.353 3.577 -0.071 407 HD2 PHE 58 HD2 PHE 58 119.144 2.511 -4.115 408 HE1 PHE 58 HE1 PHE 58 118.226 1.203 0.541 409 HE2 PHE 58 HE2 PHE 58 119.013 0.129 -3.510 410 HZ PHE 58 HZ PHE 58 118.556 -0.530 -1.182 411 H GLY 59 H GLY 59 119.056 6.362 -4.642 412 1HA GLY 59 1HA GLY 59 119.880 4.886 -6.846 413 2HA GLY 59 2HA GLY 59 119.337 6.556 -6.911 414 H LYS 60 H LYS 60 121.644 7.267 -5.057 415 HA LYS 60 HA LYS 60 123.635 7.489 -7.195 416 1HB LYS 60 1HB LYS 60 122.964 9.128 -4.790 417 2HB LYS 60 2HB LYS 60 124.611 9.180 -5.416 418 1HG LYS 60 1HG LYS 60 123.175 9.529 -7.692 419 2HG LYS 60 2HG LYS 60 122.138 10.322 -6.500 420 1HD LYS 60 1HD LYS 60 123.487 12.083 -7.011 421 2HD LYS 60 2HD LYS 60 124.475 11.352 -5.743 422 1HE LYS 60 1HE LYS 60 124.998 10.184 -8.348 423 2HE LYS 60 2HE LYS 60 125.266 11.926 -8.339 424 1HZ LYS 60 1HZ LYS 60 127.276 10.779 -7.738 425 2HZ LYS 60 2HZ LYS 60 126.491 9.953 -6.488 426 3HZ LYS 60 3HZ LYS 60 126.702 11.629 -6.391 427 H LEU 61 H LEU 61 123.071 5.406 -4.763 428 HA LEU 61 HA LEU 61 125.678 5.290 -3.589 429 1HB LEU 61 1HB LEU 61 123.293 3.438 -3.445 430 2HB LEU 61 2HB LEU 61 124.733 3.279 -2.465 431 HG LEU 61 HG LEU 61 122.689 5.456 -2.347 432 1HD1 LEU 61 1HD1 LEU 61 123.496 4.206 0.117 433 2HD1 LEU 61 2HD1 LEU 61 122.916 3.024 -1.056 434 3HD1 LEU 61 3HD1 LEU 61 121.894 4.379 -0.596 435 1HD2 LEU 61 1HD2 LEU 61 124.620 6.704 -2.060 436 2HD2 LEU 61 2HD2 LEU 61 125.481 5.373 -1.286 437 3HD2 LEU 61 3HD2 LEU 61 124.219 6.236 -0.407 438 H ALA 62 H ALA 62 125.544 2.288 -3.649 439 HA ALA 62 HA ALA 62 126.467 1.834 -6.401 440 1HB ALA 62 1HB ALA 62 127.771 0.588 -3.999 441 2HB ALA 62 2HB ALA 62 128.331 2.096 -4.719 442 3HB ALA 62 3HB ALA 62 128.346 0.607 -5.664 443 H LEU 63 H LEU 63 126.688 -0.580 -6.863 444 HA LEU 63 HA LEU 63 124.159 -1.796 -6.519 445 1HB LEU 63 1HB LEU 63 125.825 -2.091 -8.415 446 2HB LEU 63 2HB LEU 63 126.673 -3.209 -7.363 447 HG LEU 63 HG LEU 63 123.895 -3.918 -7.458 448 1HD1 LEU 63 1HD1 LEU 63 123.728 -4.539 -9.812 449 2HD1 LEU 63 2HD1 LEU 63 125.256 -3.722 -10.139 450 3HD1 LEU 63 3HD1 LEU 63 123.852 -2.792 -9.612 451 1HD2 LEU 63 1HD2 LEU 63 125.990 -5.544 -8.780 452 2HD2 LEU 63 2HD2 LEU 63 124.741 -6.019 -7.629 453 3HD2 LEU 63 3HD2 LEU 63 126.193 -5.192 -7.063 454 H TRP 64 H TRP 64 127.139 -2.034 -4.743 455 HA TRP 64 HA TRP 64 126.317 -4.402 -3.310 456 1HB TRP 64 1HB TRP 64 128.507 -3.960 -2.123 457 2HB TRP 64 2HB TRP 64 128.645 -4.233 -3.866 458 HD1 TRP 64 HD1 TRP 64 129.596 -2.250 -5.306 459 HE1 TRP 64 HE1 TRP 64 130.485 0.091 -4.727 460 HE3 TRP 64 HE3 TRP 64 128.029 -2.049 -0.574 461 HZ2 TRP 64 HZ2 TRP 64 130.509 1.805 -2.429 462 HZ3 TRP 64 HZ3 TRP 64 128.520 -0.027 0.789 463 HH2 TRP 64 HH2 TRP 64 129.719 1.852 -0.133 464 H LYS 65 H LYS 65 126.550 -0.960 -2.995 465 HA LYS 65 HA LYS 65 125.965 -0.849 -0.194 466 1HB LYS 65 1HB LYS 65 126.903 0.979 -1.955 467 2HB LYS 65 2HB LYS 65 125.204 1.444 -1.915 468 1HG LYS 65 1HG LYS 65 126.954 1.178 0.522 469 2HG LYS 65 2HG LYS 65 126.618 2.695 -0.317 470 1HD LYS 65 1HD LYS 65 124.138 2.071 0.051 471 2HD LYS 65 2HD LYS 65 124.762 0.950 1.265 472 1HE LYS 65 1HE LYS 65 125.663 3.797 1.293 473 2HE LYS 65 2HE LYS 65 124.063 3.388 1.928 474 1HZ LYS 65 1HZ LYS 65 125.558 1.548 3.131 475 2HZ LYS 65 2HZ LYS 65 125.233 3.065 3.808 476 3HZ LYS 65 3HZ LYS 65 126.695 2.794 3.004 477 H ARG 66 H ARG 66 124.034 -0.102 -3.103 478 HA ARG 66 HA ARG 66 121.559 0.278 -1.943 479 1HB ARG 66 1HB ARG 66 122.237 -1.070 -4.559 480 2HB ARG 66 2HB ARG 66 120.616 -0.570 -4.103 481 1HG ARG 66 1HG ARG 66 121.335 1.741 -4.001 482 2HG ARG 66 2HG ARG 66 122.983 1.251 -4.399 483 1HD ARG 66 1HD ARG 66 120.611 0.702 -6.175 484 2HD ARG 66 2HD ARG 66 121.620 2.149 -6.321 485 HE ARG 66 HE ARG 66 123.330 -0.025 -6.390 486 1HH1 ARG 66 1HH1 ARG 66 120.683 1.214 -8.295 487 2HH1 ARG 66 2HH1 ARG 66 121.278 0.552 -9.781 488 1HH2 ARG 66 1HH2 ARG 66 124.115 -0.898 -8.341 489 2HH2 ARG 66 2HH2 ARG 66 123.227 -0.649 -9.807 490 H ASN 67 H ASN 67 123.102 -2.708 -2.956 491 HA ASN 67 HA ASN 67 121.035 -4.496 -2.387 492 1HB ASN 67 1HB ASN 67 123.944 -4.669 -2.781 493 2HB ASN 67 2HB ASN 67 123.277 -5.956 -1.775 494 1HD2 ASN 67 1HD2 ASN 67 122.669 -4.253 -4.823 495 2HD2 ASN 67 2HD2 ASN 67 122.136 -5.646 -5.694 496 H GLU 68 H GLU 68 123.901 -4.036 -0.327 497 HA GLU 68 HA GLU 68 123.143 -5.318 1.917 498 1HB GLU 68 1HB GLU 68 125.168 -3.569 1.260 499 2HB GLU 68 2HB GLU 68 124.349 -2.739 2.575 500 1HG GLU 68 1HG GLU 68 125.469 -5.531 2.657 501 2HG GLU 68 2HG GLU 68 126.166 -4.098 3.412 502 H LEU 69 H LEU 69 122.118 -2.047 1.013 503 HA LEU 69 HA LEU 69 120.785 -1.458 3.425 504 1HB LEU 69 1HB LEU 69 119.984 -0.443 0.713 505 2HB LEU 69 2HB LEU 69 119.737 0.328 2.268 506 HG LEU 69 HG LEU 69 122.508 -0.211 1.466 507 1HD1 LEU 69 1HD1 LEU 69 120.792 1.051 -0.312 508 2HD1 LEU 69 2HD1 LEU 69 122.552 1.078 -0.334 509 3HD1 LEU 69 3HD1 LEU 69 121.660 2.352 0.491 510 1HD2 LEU 69 1HD2 LEU 69 122.585 0.874 3.443 511 2HD2 LEU 69 2HD2 LEU 69 121.007 1.625 3.208 512 3HD2 LEU 69 3HD2 LEU 69 122.431 2.300 2.416 513 H LYS 70 H LYS 70 119.395 -2.318 0.293 514 HA LYS 70 HA LYS 70 116.793 -2.904 1.233 515 1HB LYS 70 1HB LYS 70 118.371 -3.591 -1.217 516 2HB LYS 70 2HB LYS 70 116.845 -4.406 -0.930 517 1HG LYS 70 1HG LYS 70 115.610 -2.553 -1.335 518 2HG LYS 70 2HG LYS 70 116.844 -1.461 -0.694 519 1HD LYS 70 1HD LYS 70 116.702 -1.090 -3.050 520 2HD LYS 70 2HD LYS 70 118.211 -1.948 -2.736 521 1HE LYS 70 1HE LYS 70 116.148 -3.866 -3.167 522 2HE LYS 70 2HE LYS 70 116.091 -2.679 -4.470 523 1HZ LYS 70 1HZ LYS 70 118.562 -4.087 -3.623 524 2HZ LYS 70 2HZ LYS 70 118.366 -3.099 -4.981 525 3HZ LYS 70 3HZ LYS 70 117.577 -4.594 -4.904 526 H LYS 71 H LYS 71 119.758 -4.609 1.412 527 HA LYS 71 HA LYS 71 118.584 -7.214 1.829 528 1HB LYS 71 1HB LYS 71 121.410 -6.136 1.930 529 2HB LYS 71 2HB LYS 71 121.016 -7.808 2.333 530 1HG LYS 71 1HG LYS 71 119.927 -6.890 -0.221 531 2HG LYS 71 2HG LYS 71 121.688 -6.895 -0.137 532 1HD LYS 71 1HD LYS 71 120.058 -9.264 0.731 533 2HD LYS 71 2HD LYS 71 120.535 -9.030 -0.952 534 1HE LYS 71 1HE LYS 71 122.448 -9.120 1.376 535 2HE LYS 71 2HE LYS 71 122.082 -10.490 0.330 536 1HZ LYS 71 1HZ LYS 71 123.843 -9.731 -0.809 537 2HZ LYS 71 2HZ LYS 71 123.737 -8.167 -0.175 538 3HZ LYS 71 3HZ LYS 71 122.742 -8.626 -1.464 539 H LYS 72 H LYS 72 119.780 -4.556 3.742 540 HA LYS 72 HA LYS 72 119.566 -6.101 6.203 541 1HB LYS 72 1HB LYS 72 121.565 -4.773 6.053 542 2HB LYS 72 2HB LYS 72 120.642 -3.339 5.626 543 1HG LYS 72 1HG LYS 72 119.743 -4.395 8.146 544 2HG LYS 72 2HG LYS 72 121.491 -4.134 8.167 545 1HD LYS 72 1HD LYS 72 121.157 -1.951 8.430 546 2HD LYS 72 2HD LYS 72 120.292 -1.894 6.895 547 1HE LYS 72 1HE LYS 72 118.800 -1.032 8.503 548 2HE LYS 72 2HE LYS 72 118.250 -2.674 8.174 549 1HZ LYS 72 1HZ LYS 72 118.252 -2.808 10.403 550 2HZ LYS 72 2HZ LYS 72 119.357 -1.544 10.605 551 3HZ LYS 72 3HZ LYS 72 119.909 -3.095 10.215 552 H ALA 73 H ALA 73 117.946 -3.783 4.297 553 HA ALA 73 HA ALA 73 116.241 -2.735 6.358 554 1HB ALA 73 1HB ALA 73 116.578 -2.381 3.435 555 2HB ALA 73 2HB ALA 73 116.499 -1.172 4.715 556 3HB ALA 73 3HB ALA 73 115.022 -1.946 4.140 557 H GLU 74 H GLU 74 116.366 -5.711 5.044 558 HA GLU 74 HA GLU 74 114.911 -7.454 5.006 559 1HB GLU 74 1HB GLU 74 112.855 -5.515 6.083 560 2HB GLU 74 2HB GLU 74 112.749 -7.267 6.104 561 1HG GLU 74 1HG GLU 74 114.742 -5.588 7.604 562 2HG GLU 74 2HG GLU 74 113.346 -6.421 8.287 563 H LEU 75 H LEU 75 115.028 -5.126 2.932 564 HA LEU 75 HA LEU 75 112.891 -6.231 1.307 565 1HB LEU 75 1HB LEU 75 112.904 -3.593 0.500 566 2HB LEU 75 2HB LEU 75 111.649 -4.401 1.432 567 HG LEU 75 HG LEU 75 113.567 -3.575 3.285 568 1HD1 LEU 75 1HD1 LEU 75 114.656 -2.053 1.895 569 2HD1 LEU 75 2HD1 LEU 75 113.485 -1.067 2.775 570 3HD1 LEU 75 3HD1 LEU 75 113.154 -1.560 1.109 571 1HD2 LEU 75 1HD2 LEU 75 111.444 -3.442 4.067 572 2HD2 LEU 75 2HD2 LEU 75 110.795 -2.891 2.522 573 3HD2 LEU 75 3HD2 LEU 75 111.632 -1.756 3.583 574 H PHE 76 H PHE 76 114.905 -7.347 0.550 575 HA PHE 76 HA PHE 76 116.052 -5.793 -1.672 576 1HB PHE 76 1HB PHE 76 118.031 -6.129 -0.615 577 2HB PHE 76 2HB PHE 76 117.401 -7.458 0.360 578 HD1 PHE 76 HD1 PHE 76 119.125 -6.513 -2.701 579 HD2 PHE 76 HD2 PHE 76 117.436 -9.749 -0.513 580 HE1 PHE 76 HE1 PHE 76 120.332 -8.108 -4.133 581 HE2 PHE 76 HE2 PHE 76 118.641 -11.349 -1.941 582 HZ PHE 76 HZ PHE 76 120.092 -10.528 -3.754 Start of MODEL 10 1 HT1 PRO 9 HT1 PRO 9 101.357 13.616 -7.528 2 HT2 PRO 9 HT2 PRO 9 102.685 13.697 -6.560 3 HA PRO 9 HA PRO 9 102.409 13.821 -9.315 4 1HB PRO 9 1HB PRO 9 104.715 15.398 -8.796 5 2HB PRO 9 2HB PRO 9 103.259 15.868 -9.682 6 1HG PRO 9 1HG PRO 9 103.973 16.329 -6.838 7 2HG PRO 9 2HG PRO 9 102.990 17.320 -7.928 8 1HD PRO 9 1HD PRO 9 101.845 15.885 -5.995 9 2HD PRO 9 2HD PRO 9 101.082 16.018 -7.592 10 H GLY 10 H GLY 10 102.832 11.834 -7.365 11 1HA GLY 10 1HA GLY 10 105.375 10.800 -8.280 12 2HA GLY 10 2HA GLY 10 105.309 11.124 -6.555 13 H LEU 11 H LEU 11 105.252 9.199 -5.638 14 HA LEU 11 HA LEU 11 103.207 7.298 -6.561 15 1HB LEU 11 1HB LEU 11 104.894 5.731 -5.156 16 2HB LEU 11 2HB LEU 11 104.956 5.942 -6.895 17 HG LEU 11 HG LEU 11 106.588 7.929 -6.238 18 1HD1 LEU 11 1HD1 LEU 11 108.015 6.952 -4.307 19 2HD1 LEU 11 2HD1 LEU 11 106.518 6.144 -3.841 20 3HD1 LEU 11 3HD1 LEU 11 106.581 7.905 -3.924 21 1HD2 LEU 11 1HD2 LEU 11 108.237 6.607 -7.045 22 2HD2 LEU 11 2HD2 LEU 11 106.875 5.550 -7.413 23 3HD2 LEU 11 3HD2 LEU 11 107.844 5.268 -5.967 24 H GLN 12 H GLN 12 102.422 5.819 -4.828 25 HA GLN 12 HA GLN 12 101.579 7.384 -2.575 26 1HB GLN 12 1HB GLN 12 100.622 4.975 -1.932 27 2HB GLN 12 2HB GLN 12 99.841 6.018 -3.108 28 1HG GLN 12 1HG GLN 12 101.887 4.101 -4.083 29 2HG GLN 12 2HG GLN 12 100.320 3.469 -3.584 30 1HE2 GLN 12 1HE2 GLN 12 98.747 3.472 -5.026 31 2HE2 GLN 12 2HE2 GLN 12 98.726 4.376 -6.498 32 H ILE 13 H ILE 13 102.340 7.398 -0.564 33 HA ILE 13 HA ILE 13 104.642 5.691 0.036 34 HB ILE 13 HB ILE 13 103.752 7.950 1.787 35 1HG1 ILE 13 1HG1 ILE 13 103.892 8.723 -0.625 36 2HG1 ILE 13 2HG1 ILE 13 104.971 9.542 0.502 37 1HG2 ILE 13 1HG2 ILE 13 106.302 8.077 2.025 38 2HG2 ILE 13 2HG2 ILE 13 106.317 6.503 1.231 39 3HG2 ILE 13 3HG2 ILE 13 105.470 6.707 2.765 40 1HD1 ILE 13 1HD1 ILE 13 106.092 9.052 -1.590 41 2HD1 ILE 13 2HD1 ILE 13 105.745 7.334 -1.387 42 3HD1 ILE 13 3HD1 ILE 13 106.823 8.156 -0.257 43 H TYR 14 H TYR 14 104.519 4.079 1.465 44 HA TYR 14 HA TYR 14 102.255 4.025 3.351 45 1HB TYR 14 1HB TYR 14 103.390 1.652 1.852 46 2HB TYR 14 2HB TYR 14 102.062 1.609 3.008 47 HD1 TYR 14 HD1 TYR 14 103.029 2.224 -0.415 48 HD2 TYR 14 HD2 TYR 14 99.897 2.720 2.422 49 HE1 TYR 14 HE1 TYR 14 101.436 2.601 -2.248 50 HE2 TYR 14 HE2 TYR 14 98.295 3.100 0.598 51 HH TYR 14 HH TYR 14 98.011 2.746 -1.711 52 HA PRO 15 HA PRO 15 104.936 3.210 6.757 53 1HB PRO 15 1HB PRO 15 103.993 0.643 7.502 54 2HB PRO 15 2HB PRO 15 103.483 2.199 8.169 55 1HG PRO 15 1HG PRO 15 102.193 0.513 6.090 56 2HG PRO 15 2HG PRO 15 101.455 1.602 7.277 57 1HD PRO 15 1HD PRO 15 101.621 2.265 4.688 58 2HD PRO 15 2HD PRO 15 101.825 3.482 5.967 59 H TYR 16 H TYR 16 106.555 1.544 7.579 60 HA TYR 16 HA TYR 16 107.933 0.461 5.289 61 1HB TYR 16 1HB TYR 16 109.383 1.557 6.746 62 2HB TYR 16 2HB TYR 16 108.607 0.887 8.180 63 HD1 TYR 16 HD1 TYR 16 110.887 0.122 5.377 64 HD2 TYR 16 HD2 TYR 16 109.297 -1.158 9.098 65 HE1 TYR 16 HE1 TYR 16 112.599 -1.637 5.473 66 HE2 TYR 16 HE2 TYR 16 111.006 -2.929 9.229 67 HH TYR 16 HH TYR 16 113.394 -3.249 8.230 68 H GLU 17 H GLU 17 107.005 -0.889 8.470 69 HA GLU 17 HA GLU 17 107.561 -3.529 8.092 70 1HB GLU 17 1HB GLU 17 105.247 -2.233 9.522 71 2HB GLU 17 2HB GLU 17 105.500 -3.972 9.554 72 1HG GLU 17 1HG GLU 17 107.567 -3.747 10.678 73 2HG GLU 17 2HG GLU 17 107.602 -2.002 10.403 74 H MET 18 H MET 18 104.521 -1.931 7.120 75 HA MET 18 HA MET 18 103.392 -4.257 5.951 76 1HB MET 18 1HB MET 18 102.768 -1.362 6.002 77 2HB MET 18 2HB MET 18 102.121 -2.267 4.642 78 1HG MET 18 1HG MET 18 101.380 -3.913 6.586 79 2HG MET 18 2HG MET 18 101.447 -2.415 7.520 80 1HE MET 18 1HE MET 18 97.766 -1.962 7.187 81 2HE MET 18 2HE MET 18 99.233 -1.871 8.161 82 3HE MET 18 3HE MET 18 98.590 -3.441 7.680 83 H LEU 19 H LEU 19 105.620 -1.844 4.852 84 HA LEU 19 HA LEU 19 105.391 -2.610 2.069 85 1HB LEU 19 1HB LEU 19 106.922 -0.561 3.604 86 2HB LEU 19 2HB LEU 19 107.425 -0.971 1.971 87 HG LEU 19 HG LEU 19 104.720 0.100 2.779 88 1HD1 LEU 19 1HD1 LEU 19 106.677 1.682 2.842 89 2HD1 LEU 19 2HD1 LEU 19 105.365 2.131 1.752 90 3HD1 LEU 19 3HD1 LEU 19 106.842 1.417 1.106 91 1HD2 LEU 19 1HD2 LEU 19 105.811 -1.026 0.263 92 2HD2 LEU 19 2HD2 LEU 19 104.717 0.355 0.156 93 3HD2 LEU 19 3HD2 LEU 19 104.187 -1.134 0.941 94 H VAL 20 H VAL 20 106.903 -3.969 4.688 95 HA VAL 20 HA VAL 20 109.494 -4.510 3.732 96 HB VAL 20 HB VAL 20 107.897 -6.381 5.484 97 1HG1 VAL 20 1HG1 VAL 20 110.769 -5.975 4.866 98 2HG1 VAL 20 2HG1 VAL 20 109.868 -7.473 5.106 99 3HG1 VAL 20 3HG1 VAL 20 110.319 -6.478 6.495 100 1HG2 VAL 20 1HG2 VAL 20 109.641 -4.253 6.609 101 2HG2 VAL 20 2HG2 VAL 20 108.285 -5.108 7.342 102 3HG2 VAL 20 3HG2 VAL 20 107.992 -3.856 6.141 103 H VAL 21 H VAL 21 110.243 -6.789 3.062 104 HA VAL 21 HA VAL 21 108.437 -7.642 0.919 105 HB VAL 21 HB VAL 21 111.372 -8.229 1.261 106 1HG1 VAL 21 1HG1 VAL 21 111.011 -8.517 -1.332 107 2HG1 VAL 21 2HG1 VAL 21 109.358 -8.875 -0.831 108 3HG1 VAL 21 3HG1 VAL 21 110.697 -9.843 -0.212 109 1HG2 VAL 21 1HG2 VAL 21 110.068 -6.170 -0.509 110 2HG2 VAL 21 2HG2 VAL 21 111.795 -6.461 -0.308 111 3HG2 VAL 21 3HG2 VAL 21 110.851 -5.811 1.032 112 H THR 22 H THR 22 110.895 -9.390 2.859 113 HA THR 22 HA THR 22 109.112 -11.723 2.773 114 HB THR 22 HB THR 22 112.094 -11.504 3.159 115 HG1 THR 22 HG1 THR 22 112.173 -12.463 1.180 116 1HG2 THR 22 1HG2 THR 22 111.443 -13.348 4.522 117 2HG2 THR 22 2HG2 THR 22 112.105 -13.985 3.017 118 3HG2 THR 22 3HG2 THR 22 110.360 -13.958 3.271 119 H ASN 23 H ASN 23 111.340 -10.109 5.000 120 HA ASN 23 HA ASN 23 111.073 -11.496 7.277 121 1HB ASN 23 1HB ASN 23 111.074 -8.488 7.018 122 2HB ASN 23 2HB ASN 23 111.403 -9.367 8.514 123 1HD2 ASN 23 1HD2 ASN 23 112.541 -8.702 5.269 124 2HD2 ASN 23 2HD2 ASN 23 114.179 -9.179 5.543 125 H LYS 24 H LYS 24 108.530 -9.520 5.897 126 HA LYS 24 HA LYS 24 106.872 -10.059 8.267 127 1HB LYS 24 1HB LYS 24 107.073 -7.792 6.421 128 2HB LYS 24 2HB LYS 24 105.417 -8.292 6.747 129 1HG LYS 24 1HG LYS 24 106.364 -6.493 8.240 130 2HG LYS 24 2HG LYS 24 105.636 -7.879 9.053 131 1HD LYS 24 1HD LYS 24 107.709 -7.260 10.150 132 2HD LYS 24 2HD LYS 24 107.881 -8.838 9.383 133 1HE LYS 24 1HE LYS 24 109.720 -8.041 8.413 134 2HE LYS 24 2HE LYS 24 108.659 -7.045 7.421 135 1HZ LYS 24 1HZ LYS 24 110.060 -6.290 9.917 136 2HZ LYS 24 2HZ LYS 24 108.786 -5.372 9.287 137 3HZ LYS 24 3HZ LYS 24 110.200 -5.585 8.384 138 H GLY 25 H GLY 25 107.445 -11.962 6.080 139 1HA GLY 25 1HA GLY 25 105.820 -13.709 5.587 140 2HA GLY 25 2HA GLY 25 104.647 -12.442 5.266 141 H ARG 26 H ARG 26 104.434 -11.673 3.251 142 HA ARG 26 HA ARG 26 106.476 -12.418 1.276 143 1HB ARG 26 1HB ARG 26 103.601 -12.392 0.476 144 2HB ARG 26 2HB ARG 26 104.941 -13.295 -0.199 145 1HG ARG 26 1HG ARG 26 103.789 -14.979 0.814 146 2HG ARG 26 2HG ARG 26 104.887 -14.520 2.117 147 1HD ARG 26 1HD ARG 26 103.126 -13.114 3.092 148 2HD ARG 26 2HD ARG 26 102.036 -13.587 1.795 149 HE ARG 26 HE ARG 26 102.989 -15.900 3.063 150 1HH1 ARG 26 1HH1 ARG 26 100.905 -13.173 3.691 151 2HH1 ARG 26 2HH1 ARG 26 99.892 -14.042 4.794 152 1HH2 ARG 26 1HH2 ARG 26 101.656 -17.046 4.512 153 2HH2 ARG 26 2HH2 ARG 26 100.318 -16.241 5.261 154 H THR 27 H THR 27 104.964 -11.181 -0.913 155 HA THR 27 HA THR 27 105.907 -8.564 -0.577 156 HB THR 27 HB THR 27 105.604 -9.701 -2.785 157 HG1 THR 27 HG1 THR 27 105.091 -7.787 -3.838 158 1HG2 THR 27 1HG2 THR 27 103.247 -10.461 -2.392 159 2HG2 THR 27 2HG2 THR 27 103.560 -9.683 -3.943 160 3HG2 THR 27 3HG2 THR 27 102.753 -8.787 -2.657 161 H LYS 28 H LYS 28 102.476 -9.553 -0.887 162 HA LYS 28 HA LYS 28 100.573 -8.471 -0.230 163 1HB LYS 28 1HB LYS 28 102.388 -8.593 2.142 164 2HB LYS 28 2HB LYS 28 100.751 -7.970 2.286 165 1HG LYS 28 1HG LYS 28 100.720 -10.260 2.913 166 2HG LYS 28 2HG LYS 28 99.913 -10.109 1.350 167 1HD LYS 28 1HD LYS 28 102.638 -10.536 0.785 168 2HD LYS 28 2HD LYS 28 102.216 -11.661 2.072 169 1HE LYS 28 1HE LYS 28 101.770 -12.796 0.043 170 2HE LYS 28 2HE LYS 28 100.205 -12.316 0.694 171 1HZ LYS 28 1HZ LYS 28 100.013 -11.694 -1.485 172 2HZ LYS 28 2HZ LYS 28 101.643 -11.277 -1.645 173 3HZ LYS 28 3HZ LYS 28 100.587 -10.252 -0.815 174 H LEU 29 H LEU 29 102.735 -6.670 -1.325 175 HA LEU 29 HA LEU 29 102.878 -4.273 0.044 176 1HB LEU 29 1HB LEU 29 103.239 -5.203 -2.716 177 2HB LEU 29 2HB LEU 29 102.948 -3.491 -2.546 178 HG LEU 29 HG LEU 29 105.257 -3.722 -2.606 179 1HD1 LEU 29 1HD1 LEU 29 104.522 -3.607 0.314 180 2HD1 LEU 29 2HD1 LEU 29 104.511 -2.251 -0.809 181 3HD1 LEU 29 3HD1 LEU 29 106.028 -3.044 -0.396 182 1HD2 LEU 29 1HD2 LEU 29 106.050 -5.769 -2.306 183 2HD2 LEU 29 2HD2 LEU 29 104.719 -6.220 -1.243 184 3HD2 LEU 29 3HD2 LEU 29 106.115 -5.365 -0.592 185 HA PRO 30 HA PRO 30 98.872 -2.393 -0.222 186 1HB PRO 30 1HB PRO 30 100.383 0.110 -0.748 187 2HB PRO 30 2HB PRO 30 99.200 -0.243 0.519 188 1HG PRO 30 1HG PRO 30 101.823 -0.062 1.056 189 2HG PRO 30 2HG PRO 30 100.771 -1.214 1.903 190 1HD PRO 30 1HD PRO 30 102.766 -1.704 -0.259 191 2HD PRO 30 2HD PRO 30 102.309 -2.732 1.113 192 HA PRO 31 HA PRO 31 97.963 -1.535 -4.470 193 1HB PRO 31 1HB PRO 31 97.058 1.231 -4.110 194 2HB PRO 31 2HB PRO 31 96.124 -0.208 -4.539 195 1HG PRO 31 1HG PRO 31 95.892 0.996 -2.134 196 2HG PRO 31 2HG PRO 31 95.712 -0.756 -2.341 197 1HD PRO 31 1HD PRO 31 98.062 0.802 -1.328 198 2HD PRO 31 2HD PRO 31 97.385 -0.730 -0.734 199 H GLY 32 H GLY 32 99.791 -1.439 -5.701 200 1HA GLY 32 1HA GLY 32 101.035 -0.243 -7.306 201 2HA GLY 32 2HA GLY 32 100.731 1.232 -6.412 202 H VAL 33 H VAL 33 102.174 -1.837 -5.275 203 HA VAL 33 HA VAL 33 104.705 -0.402 -4.906 204 HB VAL 33 HB VAL 33 104.319 -2.294 -2.790 205 1HG1 VAL 33 1HG1 VAL 33 104.620 0.561 -2.219 206 2HG1 VAL 33 2HG1 VAL 33 105.852 -0.164 -3.250 207 3HG1 VAL 33 3HG1 VAL 33 105.550 -0.822 -1.646 208 1HG2 VAL 33 1HG2 VAL 33 102.091 -0.483 -3.299 209 2HG2 VAL 33 2HG2 VAL 33 102.771 -0.343 -1.682 210 3HG2 VAL 33 3HG2 VAL 33 102.187 -1.902 -2.258 211 H ASP 34 H ASP 34 106.409 -1.407 -5.623 212 HA ASP 34 HA ASP 34 106.354 -4.333 -5.888 213 1HB ASP 34 1HB ASP 34 105.980 -2.929 -8.071 214 2HB ASP 34 2HB ASP 34 107.718 -2.645 -7.961 215 H ARG 35 H ARG 35 108.361 -5.360 -5.669 216 HA ARG 35 HA ARG 35 110.147 -4.183 -3.855 217 1HB ARG 35 1HB ARG 35 111.501 -6.281 -5.271 218 2HB ARG 35 2HB ARG 35 110.902 -6.268 -3.622 219 1HG ARG 35 1HG ARG 35 109.188 -6.931 -6.004 220 2HG ARG 35 2HG ARG 35 110.069 -8.133 -5.058 221 1HD ARG 35 1HD ARG 35 108.828 -6.912 -3.054 222 2HD ARG 35 2HD ARG 35 107.679 -6.520 -4.332 223 HE ARG 35 HE ARG 35 108.016 -9.036 -3.076 224 1HH1 ARG 35 1HH1 ARG 35 107.315 -7.575 -6.168 225 2HH1 ARG 35 2HH1 ARG 35 106.439 -8.947 -6.759 226 1HH2 ARG 35 1HH2 ARG 35 106.866 -10.843 -3.854 227 2HH2 ARG 35 2HH2 ARG 35 106.184 -10.801 -5.445 228 H MET 36 H MET 36 109.963 -3.920 -7.260 229 HA MET 36 HA MET 36 112.600 -3.554 -8.018 230 1HB MET 36 1HB MET 36 110.151 -3.304 -9.241 231 2HB MET 36 2HB MET 36 110.752 -1.651 -9.262 232 1HG MET 36 1HG MET 36 112.729 -2.321 -10.437 233 2HG MET 36 2HG MET 36 112.292 -4.025 -10.284 234 1HE MET 36 1HE MET 36 110.445 -5.213 -12.324 235 2HE MET 36 2HE MET 36 109.009 -4.188 -12.299 236 3HE MET 36 3HE MET 36 109.808 -4.626 -10.788 237 H ARG 37 H ARG 37 110.363 -1.206 -6.584 238 HA ARG 37 HA ARG 37 112.680 0.473 -5.930 239 1HB ARG 37 1HB ARG 37 111.155 2.482 -6.388 240 2HB ARG 37 2HB ARG 37 111.848 1.653 -7.774 241 1HG ARG 37 1HG ARG 37 109.308 0.499 -7.063 242 2HG ARG 37 2HG ARG 37 109.164 2.239 -7.317 243 1HD ARG 37 1HD ARG 37 110.711 1.567 -9.422 244 2HD ARG 37 2HD ARG 37 109.781 0.081 -9.230 245 HE ARG 37 HE ARG 37 108.181 2.473 -9.224 246 1HH1 ARG 37 1HH1 ARG 37 109.661 0.018 -11.214 247 2HH1 ARG 37 2HH1 ARG 37 108.555 0.240 -12.529 248 1HH2 ARG 37 1HH2 ARG 37 106.727 2.767 -10.951 249 2HH2 ARG 37 2HH2 ARG 37 106.891 1.802 -12.379 250 H LEU 38 H LEU 38 111.146 -1.390 -4.327 251 HA LEU 38 HA LEU 38 109.184 -0.276 -2.757 252 1HB LEU 38 1HB LEU 38 111.092 -2.475 -2.525 253 2HB LEU 38 2HB LEU 38 110.600 -1.813 -0.971 254 HG LEU 38 HG LEU 38 108.731 -2.846 -3.106 255 1HD1 LEU 38 1HD1 LEU 38 110.186 -4.495 -1.782 256 2HD1 LEU 38 2HD1 LEU 38 108.443 -4.767 -1.823 257 3HD1 LEU 38 3HD1 LEU 38 109.190 -4.043 -0.398 258 1HD2 LEU 38 1HD2 LEU 38 108.136 -0.927 -1.347 259 2HD2 LEU 38 2HD2 LEU 38 107.842 -2.342 -0.338 260 3HD2 LEU 38 3HD2 LEU 38 106.981 -2.153 -1.866 261 H GLU 39 H GLU 39 112.688 0.088 -2.466 262 HA GLU 39 HA GLU 39 112.633 1.455 0.006 263 1HB GLU 39 1HB GLU 39 114.918 1.898 -0.309 264 2HB GLU 39 2HB GLU 39 114.644 0.349 -1.082 265 1HG GLU 39 1HG GLU 39 114.790 2.989 -2.512 266 2HG GLU 39 2HG GLU 39 116.111 1.831 -2.376 267 H ARG 40 H ARG 40 111.294 2.427 -2.839 268 HA ARG 40 HA ARG 40 111.913 5.264 -2.362 269 1HB ARG 40 1HB ARG 40 112.036 3.802 -4.704 270 2HB ARG 40 2HB ARG 40 110.493 4.632 -4.832 271 1HG ARG 40 1HG ARG 40 112.380 6.527 -3.927 272 2HG ARG 40 2HG ARG 40 113.122 5.644 -5.263 273 1HD ARG 40 1HD ARG 40 110.493 6.151 -6.074 274 2HD ARG 40 2HD ARG 40 111.041 7.642 -5.308 275 HE ARG 40 HE ARG 40 112.938 6.553 -7.165 276 1HH1 ARG 40 1HH1 ARG 40 110.103 8.559 -6.836 277 2HH1 ARG 40 2HH1 ARG 40 110.415 9.454 -8.286 278 1HH2 ARG 40 1HH2 ARG 40 113.350 7.727 -9.072 279 2HH2 ARG 40 2HH2 ARG 40 112.258 8.981 -9.556 280 H HIS 41 H HIS 41 109.628 2.902 -1.912 281 HA HIS 41 HA HIS 41 107.309 4.621 -2.183 282 1HB HIS 41 1HB HIS 41 107.844 1.735 -1.854 283 2HB HIS 41 2HB HIS 41 106.387 2.328 -1.074 284 HD1 HIS 41 HD1 HIS 41 104.748 3.740 -2.780 285 HD2 HIS 41 HD2 HIS 41 107.533 1.168 -4.478 286 HE1 HIS 41 HE1 HIS 41 103.961 3.354 -5.136 287 HE2 HIS 41 HE2 HIS 41 105.605 1.716 -6.110 288 H LEU 42 H LEU 42 109.659 4.076 0.107 289 HA LEU 42 HA LEU 42 108.003 4.247 2.453 290 1HB LEU 42 1HB LEU 42 110.983 4.371 2.008 291 2HB LEU 42 2HB LEU 42 110.223 4.421 3.593 292 HG LEU 42 HG LEU 42 109.273 2.142 2.104 293 1HD1 LEU 42 1HD1 LEU 42 111.097 1.423 1.078 294 2HD1 LEU 42 2HD1 LEU 42 111.865 1.257 2.661 295 3HD1 LEU 42 3HD1 LEU 42 112.059 2.749 1.732 296 1HD2 LEU 42 1HD2 LEU 42 109.270 2.641 4.571 297 2HD2 LEU 42 2HD2 LEU 42 110.980 2.213 4.559 298 3HD2 LEU 42 3HD2 LEU 42 109.765 1.019 4.095 299 H SER 43 H SER 43 107.900 6.011 3.854 300 HA SER 43 HA SER 43 108.127 8.581 2.571 301 1HB SER 43 1HB SER 43 107.421 9.233 5.080 302 2HB SER 43 2HB SER 43 106.257 8.644 3.888 303 HG SER 43 HG SER 43 106.033 7.470 5.789 304 H ALA 44 H ALA 44 109.238 10.406 3.589 305 HA ALA 44 HA ALA 44 111.931 10.053 3.884 306 1HB ALA 44 1HB ALA 44 110.052 12.202 4.647 307 2HB ALA 44 2HB ALA 44 111.490 12.259 3.630 308 3HB ALA 44 3HB ALA 44 111.652 12.255 5.386 309 H GLU 45 H GLU 45 109.474 9.652 6.316 310 HA GLU 45 HA GLU 45 111.287 9.561 8.537 311 1HB GLU 45 1HB GLU 45 109.131 8.226 9.474 312 2HB GLU 45 2HB GLU 45 109.255 9.976 9.447 313 1HG GLU 45 1HG GLU 45 107.925 10.126 7.486 314 2HG GLU 45 2HG GLU 45 107.987 8.382 7.240 315 H ASP 46 H ASP 46 109.363 7.097 6.865 316 HA ASP 46 HA ASP 46 110.436 4.866 8.124 317 1HB ASP 46 1HB ASP 46 109.412 5.044 5.285 318 2HB ASP 46 2HB ASP 46 109.569 3.572 6.246 319 H PHE 47 H PHE 47 111.451 6.396 5.057 320 HA PHE 47 HA PHE 47 113.454 4.621 4.369 321 1HB PHE 47 1HB PHE 47 112.509 6.679 3.104 322 2HB PHE 47 2HB PHE 47 113.792 7.569 3.928 323 HD1 PHE 47 HD1 PHE 47 113.220 4.555 1.852 324 HD2 PHE 47 HD2 PHE 47 115.902 7.647 3.000 325 HE1 PHE 47 HE1 PHE 47 114.837 3.801 0.137 326 HE2 PHE 47 HE2 PHE 47 117.513 6.902 1.291 327 HZ PHE 47 HZ PHE 47 116.967 4.982 -0.142 328 H SER 48 H SER 48 114.084 7.805 5.844 329 HA SER 48 HA SER 48 116.731 7.334 6.504 330 1HB SER 48 1HB SER 48 114.731 9.114 7.920 331 2HB SER 48 2HB SER 48 116.481 9.198 8.123 332 HG SER 48 HG SER 48 116.555 9.569 5.797 333 H ARG 49 H ARG 49 113.907 6.040 7.965 334 HA ARG 49 HA ARG 49 115.161 5.503 10.516 335 1HB ARG 49 1HB ARG 49 112.785 6.007 10.470 336 2HB ARG 49 2HB ARG 49 112.492 4.667 9.371 337 1HG ARG 49 1HG ARG 49 112.462 3.159 11.021 338 2HG ARG 49 2HG ARG 49 113.827 3.901 11.858 339 1HD ARG 49 1HD ARG 49 110.948 4.795 11.932 340 2HD ARG 49 2HD ARG 49 111.860 4.047 13.246 341 HE ARG 49 HE ARG 49 111.942 6.803 12.417 342 1HH1 ARG 49 1HH1 ARG 49 113.653 4.253 14.077 343 2HH1 ARG 49 2HH1 ARG 49 114.611 5.342 15.023 344 1HH2 ARG 49 1HH2 ARG 49 113.202 8.236 13.660 345 2HH2 ARG 49 2HH2 ARG 49 114.354 7.603 14.787 346 H VAL 50 H VAL 50 114.578 3.854 7.496 347 HA VAL 50 HA VAL 50 115.424 1.298 8.637 348 HB VAL 50 HB VAL 50 114.579 1.845 5.791 349 1HG1 VAL 50 1HG1 VAL 50 115.930 -0.262 6.552 350 2HG1 VAL 50 2HG1 VAL 50 114.559 -0.425 5.455 351 3HG1 VAL 50 3HG1 VAL 50 114.365 -0.790 7.168 352 1HG2 VAL 50 1HG2 VAL 50 112.763 0.489 7.704 353 2HG2 VAL 50 2HG2 VAL 50 112.391 1.472 6.289 354 3HG2 VAL 50 3HG2 VAL 50 112.892 2.246 7.795 355 H PHE 51 H PHE 51 116.361 3.566 6.068 356 HA PHE 51 HA PHE 51 118.852 2.089 5.680 357 1HB PHE 51 1HB PHE 51 117.713 4.406 4.113 358 2HB PHE 51 2HB PHE 51 119.120 3.445 3.666 359 HD1 PHE 51 HD1 PHE 51 118.553 0.785 3.672 360 HD2 PHE 51 HD2 PHE 51 115.792 3.944 3.013 361 HE1 PHE 51 HE1 PHE 51 117.086 -0.761 2.427 362 HE2 PHE 51 HE2 PHE 51 114.320 2.410 1.766 363 HZ PHE 51 HZ PHE 51 114.974 0.060 1.474 364 H ALA 52 H ALA 52 117.691 5.241 6.726 365 HA ALA 52 HA ALA 52 118.713 6.772 8.108 366 1HB ALA 52 1HB ALA 52 121.355 5.399 7.774 367 2HB ALA 52 2HB ALA 52 120.127 4.783 8.881 368 3HB ALA 52 3HB ALA 52 120.787 6.402 9.108 369 H MET 53 H MET 53 118.947 6.397 4.987 370 HA MET 53 HA MET 53 120.742 8.708 4.590 371 1HB MET 53 1HB MET 53 121.742 7.744 2.827 372 2HB MET 53 2HB MET 53 121.198 6.244 3.572 373 1HG MET 53 1HG MET 53 119.184 6.310 2.162 374 2HG MET 53 2HG MET 53 119.810 7.757 1.374 375 1HE MET 53 1HE MET 53 119.451 4.350 1.735 376 2HE MET 53 2HE MET 53 121.106 3.755 1.888 377 3HE MET 53 3HE MET 53 120.257 3.612 0.352 378 H SER 54 H SER 54 120.211 9.680 2.337 379 HA SER 54 HA SER 54 117.474 10.576 2.507 380 1HB SER 54 1HB SER 54 119.877 11.337 0.855 381 2HB SER 54 2HB SER 54 118.271 11.974 0.475 382 HG SER 54 HG SER 54 119.857 12.395 2.763 383 HA PRO 55 HA PRO 55 115.715 7.712 -0.413 384 1HB PRO 55 1HB PRO 55 114.357 10.152 -1.470 385 2HB PRO 55 2HB PRO 55 113.664 8.590 -1.015 386 1HG PRO 55 1HG PRO 55 113.404 10.724 0.570 387 2HG PRO 55 2HG PRO 55 113.651 9.100 1.243 388 1HD PRO 55 1HD PRO 55 115.557 11.377 1.040 389 2HD PRO 55 2HD PRO 55 115.453 10.092 2.263 390 H GLU 56 H GLU 56 117.239 10.715 -1.278 391 HA GLU 56 HA GLU 56 117.561 9.967 -4.062 392 1HB GLU 56 1HB GLU 56 118.037 12.156 -4.454 393 2HB GLU 56 2HB GLU 56 117.218 12.363 -2.910 394 1HG GLU 56 1HG GLU 56 119.409 12.353 -1.778 395 2HG GLU 56 2HG GLU 56 120.192 12.247 -3.359 396 H GLU 57 H GLU 57 119.243 9.600 -1.100 397 HA GLU 57 HA GLU 57 121.882 9.546 -2.168 398 1HB GLU 57 1HB GLU 57 120.632 8.963 0.480 399 2HB GLU 57 2HB GLU 57 122.115 8.089 0.110 400 1HG GLU 57 1HG GLU 57 123.264 10.196 -0.313 401 2HG GLU 57 2HG GLU 57 121.780 11.074 0.054 402 H PHE 58 H PHE 58 119.400 7.138 -1.453 403 HA PHE 58 HA PHE 58 120.752 4.756 -1.948 404 1HB PHE 58 1HB PHE 58 118.193 5.418 -1.405 405 2HB PHE 58 2HB PHE 58 118.026 5.074 -3.121 406 HD1 PHE 58 HD1 PHE 58 118.741 2.788 -3.956 407 HD2 PHE 58 HD2 PHE 58 118.247 3.703 0.167 408 HE1 PHE 58 HE1 PHE 58 118.519 0.390 -3.451 409 HE2 PHE 58 HE2 PHE 58 118.036 1.312 0.682 410 HZ PHE 58 HZ PHE 58 118.168 -0.355 -1.127 411 H GLY 59 H GLY 59 118.812 6.564 -4.354 412 1HA GLY 59 1HA GLY 59 119.554 5.114 -6.598 413 2HA GLY 59 2HA GLY 59 119.064 6.802 -6.625 414 H LYS 60 H LYS 60 121.365 7.497 -4.839 415 HA LYS 60 HA LYS 60 123.322 7.795 -6.970 416 1HB LYS 60 1HB LYS 60 123.028 9.031 -4.236 417 2HB LYS 60 2HB LYS 60 124.468 9.268 -5.224 418 1HG LYS 60 1HG LYS 60 121.930 9.806 -6.597 419 2HG LYS 60 2HG LYS 60 122.296 10.884 -5.246 420 1HD LYS 60 1HD LYS 60 123.334 11.986 -6.979 421 2HD LYS 60 2HD LYS 60 124.660 10.991 -6.375 422 1HE LYS 60 1HE LYS 60 123.350 9.368 -8.212 423 2HE LYS 60 2HE LYS 60 123.349 10.965 -8.958 424 1HZ LYS 60 1HZ LYS 60 125.625 9.259 -8.224 425 2HZ LYS 60 2HZ LYS 60 125.833 10.938 -8.244 426 3HZ LYS 60 3HZ LYS 60 125.350 10.131 -9.649 427 H LEU 61 H LEU 61 122.743 5.579 -4.543 428 HA LEU 61 HA LEU 61 125.411 5.119 -3.683 429 1HB LEU 61 1HB LEU 61 122.865 3.502 -3.450 430 2HB LEU 61 2HB LEU 61 124.360 3.096 -2.646 431 HG LEU 61 HG LEU 61 122.528 5.381 -2.087 432 1HD1 LEU 61 1HD1 LEU 61 121.892 3.715 -0.711 433 2HD1 LEU 61 2HD1 LEU 61 123.202 4.372 0.270 434 3HD1 LEU 61 3HD1 LEU 61 123.476 2.943 -0.727 435 1HD2 LEU 61 1HD2 LEU 61 124.343 6.051 -0.404 436 2HD2 LEU 61 2HD2 LEU 61 124.569 6.524 -2.089 437 3HD2 LEU 61 3HD2 LEU 61 125.445 5.139 -1.437 438 H ALA 62 H ALA 62 125.102 2.190 -3.925 439 HA ALA 62 HA ALA 62 125.647 1.848 -6.791 440 1HB ALA 62 1HB ALA 62 127.168 0.407 -4.639 441 2HB ALA 62 2HB ALA 62 127.714 1.928 -5.345 442 3HB ALA 62 3HB ALA 62 127.536 0.497 -6.361 443 H LEU 63 H LEU 63 125.653 -0.519 -7.430 444 HA LEU 63 HA LEU 63 123.141 -1.651 -6.835 445 1HB LEU 63 1HB LEU 63 124.550 -1.925 -8.928 446 2HB LEU 63 2HB LEU 63 125.471 -3.122 -8.036 447 HG LEU 63 HG LEU 63 122.685 -3.738 -7.809 448 1HD1 LEU 63 1HD1 LEU 63 123.649 -3.565 -10.655 449 2HD1 LEU 63 2HD1 LEU 63 122.519 -2.429 -9.917 450 3HD1 LEU 63 3HD1 LEU 63 122.077 -4.128 -10.086 451 1HD2 LEU 63 1HD2 LEU 63 123.417 -5.850 -8.215 452 2HD2 LEU 63 2HD2 LEU 63 124.962 -5.104 -7.802 453 3HD2 LEU 63 3HD2 LEU 63 124.521 -5.341 -9.494 454 H TRP 64 H TRP 64 126.301 -2.136 -5.445 455 HA TRP 64 HA TRP 64 125.519 -4.532 -4.036 456 1HB TRP 64 1HB TRP 64 127.839 -4.247 -3.069 457 2HB TRP 64 2HB TRP 64 127.783 -4.432 -4.828 458 HD1 TRP 64 HD1 TRP 64 128.692 -2.429 -6.257 459 HE1 TRP 64 HE1 TRP 64 129.748 -0.163 -5.666 460 HE3 TRP 64 HE3 TRP 64 127.597 -2.389 -1.390 461 HZ2 TRP 64 HZ2 TRP 64 130.078 1.435 -3.306 462 HZ3 TRP 64 HZ3 TRP 64 128.316 -0.460 0.007 463 HH2 TRP 64 HH2 TRP 64 129.514 1.405 -0.945 464 H LYS 65 H LYS 65 125.954 -1.125 -3.585 465 HA LYS 65 HA LYS 65 125.698 -1.095 -0.744 466 1HB LYS 65 1HB LYS 65 126.406 0.784 -2.552 467 2HB LYS 65 2HB LYS 65 124.722 1.236 -2.304 468 1HG LYS 65 1HG LYS 65 126.970 1.213 -0.322 469 2HG LYS 65 2HG LYS 65 125.911 2.546 -0.788 470 1HD LYS 65 1HD LYS 65 124.014 1.330 0.264 471 2HD LYS 65 2HD LYS 65 125.159 0.107 0.825 472 1HE LYS 65 1HE LYS 65 125.750 2.949 1.456 473 2HE LYS 65 2HE LYS 65 124.425 2.173 2.333 474 1HZ LYS 65 1HZ LYS 65 127.289 1.681 2.478 475 2HZ LYS 65 2HZ LYS 65 126.300 0.312 2.557 476 3HZ LYS 65 3HZ LYS 65 126.104 1.560 3.682 477 H ARG 66 H ARG 66 123.430 -0.283 -3.367 478 HA ARG 66 HA ARG 66 121.111 0.047 -1.894 479 1HB ARG 66 1HB ARG 66 121.483 -1.150 -4.644 480 2HB ARG 66 2HB ARG 66 119.923 -0.698 -3.975 481 1HG ARG 66 1HG ARG 66 120.899 1.628 -3.687 482 2HG ARG 66 2HG ARG 66 122.214 1.072 -4.724 483 1HD ARG 66 1HD ARG 66 119.665 0.379 -5.870 484 2HD ARG 66 2HD ARG 66 119.735 2.111 -5.515 485 HE ARG 66 HE ARG 66 122.071 1.132 -6.863 486 1HH1 ARG 66 1HH1 ARG 66 118.817 2.312 -7.303 487 2HH1 ARG 66 2HH1 ARG 66 119.097 2.848 -8.926 488 1HH2 ARG 66 1HH2 ARG 66 122.441 1.836 -8.998 489 2HH2 ARG 66 2HH2 ARG 66 121.153 2.577 -9.889 490 H ASN 67 H ASN 67 122.515 -2.878 -3.257 491 HA ASN 67 HA ASN 67 120.548 -4.716 -2.556 492 1HB ASN 67 1HB ASN 67 123.415 -4.832 -3.210 493 2HB ASN 67 2HB ASN 67 122.852 -6.168 -2.205 494 1HD2 ASN 67 1HD2 ASN 67 121.741 -4.319 -5.030 495 2HD2 ASN 67 2HD2 ASN 67 121.233 -5.695 -5.941 496 H GLU 68 H GLU 68 123.558 -4.180 -0.728 497 HA GLU 68 HA GLU 68 123.015 -5.568 1.540 498 1HB GLU 68 1HB GLU 68 124.673 -3.208 0.911 499 2HB GLU 68 2HB GLU 68 124.311 -3.446 2.614 500 1HG GLU 68 1HG GLU 68 126.418 -4.485 2.013 501 2HG GLU 68 2HG GLU 68 125.236 -5.696 2.509 502 H LEU 69 H LEU 69 122.005 -2.221 0.849 503 HA LEU 69 HA LEU 69 120.783 -1.739 3.337 504 1HB LEU 69 1HB LEU 69 119.833 -0.603 0.721 505 2HB LEU 69 2HB LEU 69 119.688 0.100 2.320 506 HG LEU 69 HG LEU 69 122.402 -0.413 1.316 507 1HD1 LEU 69 1HD1 LEU 69 121.609 2.193 0.511 508 2HD1 LEU 69 2HD1 LEU 69 120.536 1.008 -0.228 509 3HD1 LEU 69 3HD1 LEU 69 122.276 0.888 -0.466 510 1HD2 LEU 69 1HD2 LEU 69 122.614 0.579 3.333 511 2HD2 LEU 69 2HD2 LEU 69 121.031 1.349 3.234 512 3HD2 LEU 69 3HD2 LEU 69 122.407 2.050 2.384 513 H LYS 70 H LYS 70 119.245 -2.477 0.234 514 HA LYS 70 HA LYS 70 116.683 -3.057 1.164 515 1HB LYS 70 1HB LYS 70 118.307 -3.901 -1.190 516 2HB LYS 70 2HB LYS 70 116.836 -4.788 -0.860 517 1HG LYS 70 1HG LYS 70 117.205 -1.999 -1.795 518 2HG LYS 70 2HG LYS 70 116.099 -3.254 -2.355 519 1HD LYS 70 1HD LYS 70 115.197 -2.807 0.184 520 2HD LYS 70 2HD LYS 70 115.737 -1.200 -0.295 521 1HE LYS 70 1HE LYS 70 113.315 -1.812 -0.808 522 2HE LYS 70 2HE LYS 70 114.269 -1.128 -2.122 523 1HZ LYS 70 1HZ LYS 70 114.147 -3.010 -3.301 524 2HZ LYS 70 2HZ LYS 70 112.819 -3.368 -2.317 525 3HZ LYS 70 3HZ LYS 70 114.338 -4.013 -1.952 526 H LYS 71 H LYS 71 119.623 -4.830 1.339 527 HA LYS 71 HA LYS 71 118.454 -7.371 1.969 528 1HB LYS 71 1HB LYS 71 121.252 -6.264 1.822 529 2HB LYS 71 2HB LYS 71 120.943 -7.880 2.468 530 1HG LYS 71 1HG LYS 71 119.743 -7.181 -0.149 531 2HG LYS 71 2HG LYS 71 121.489 -7.437 -0.085 532 1HD LYS 71 1HD LYS 71 119.482 -9.401 1.011 533 2HD LYS 71 2HD LYS 71 120.119 -9.478 -0.634 534 1HE LYS 71 1HE LYS 71 121.734 -9.618 1.911 535 2HE LYS 71 2HE LYS 71 121.343 -10.973 0.853 536 1HZ LYS 71 1HZ LYS 71 123.528 -10.274 0.332 537 2HZ LYS 71 2HZ LYS 71 123.074 -8.648 0.234 538 3HZ LYS 71 3HZ LYS 71 122.544 -9.745 -0.939 539 H LYS 72 H LYS 72 119.782 -4.668 3.760 540 HA LYS 72 HA LYS 72 119.558 -6.142 6.261 541 1HB LYS 72 1HB LYS 72 120.822 -4.400 7.287 542 2HB LYS 72 2HB LYS 72 121.610 -4.771 5.761 543 1HG LYS 72 1HG LYS 72 121.616 -2.554 5.477 544 2HG LYS 72 2HG LYS 72 119.926 -2.777 5.012 545 1HD LYS 72 1HD LYS 72 119.460 -2.541 7.554 546 2HD LYS 72 2HD LYS 72 121.066 -1.810 7.607 547 1HE LYS 72 1HE LYS 72 118.621 -0.867 6.143 548 2HE LYS 72 2HE LYS 72 119.584 -0.008 7.343 549 1HZ LYS 72 1HZ LYS 72 120.015 -0.305 4.492 550 2HZ LYS 72 2HZ LYS 72 121.405 -0.451 5.445 551 3HZ LYS 72 3HZ LYS 72 120.465 0.952 5.531 552 H ALA 73 H ALA 73 117.925 -3.908 4.317 553 HA ALA 73 HA ALA 73 116.343 -2.715 6.417 554 1HB ALA 73 1HB ALA 73 116.672 -2.371 3.498 555 2HB ALA 73 2HB ALA 73 116.581 -1.161 4.777 556 3HB ALA 73 3HB ALA 73 115.109 -1.930 4.184 557 H GLU 74 H GLU 74 116.340 -5.706 5.175 558 HA GLU 74 HA GLU 74 114.826 -7.402 5.166 559 1HB GLU 74 1HB GLU 74 113.040 -5.324 6.437 560 2HB GLU 74 2HB GLU 74 112.604 -7.013 6.257 561 1HG GLU 74 1HG GLU 74 114.412 -7.685 7.694 562 2HG GLU 74 2HG GLU 74 114.999 -6.025 7.784 563 H LEU 75 H LEU 75 114.982 -5.212 3.015 564 HA LEU 75 HA LEU 75 112.676 -6.187 1.551 565 1HB LEU 75 1HB LEU 75 112.826 -3.567 0.664 566 2HB LEU 75 2HB LEU 75 111.578 -4.266 1.688 567 HG LEU 75 HG LEU 75 113.684 -3.542 3.383 568 1HD1 LEU 75 1HD1 LEU 75 113.270 -1.590 1.167 569 2HD1 LEU 75 2HD1 LEU 75 114.762 -2.060 1.986 570 3HD1 LEU 75 3HD1 LEU 75 113.601 -1.008 2.802 571 1HD2 LEU 75 1HD2 LEU 75 111.802 -1.583 3.668 572 2HD2 LEU 75 2HD2 LEU 75 111.732 -3.180 4.412 573 3HD2 LEU 75 3HD2 LEU 75 110.886 -2.876 2.895 574 H PHE 76 H PHE 76 114.766 -7.401 0.909 575 HA PHE 76 HA PHE 76 115.832 -6.093 -1.501 576 1HB PHE 76 1HB PHE 76 117.824 -6.439 -0.463 577 2HB PHE 76 2HB PHE 76 117.164 -7.677 0.608 578 HD1 PHE 76 HD1 PHE 76 116.973 -10.017 -0.198 579 HD2 PHE 76 HD2 PHE 76 118.962 -7.006 -2.455 580 HE1 PHE 76 HE1 PHE 76 118.081 -11.758 -1.538 581 HE2 PHE 76 HE2 PHE 76 120.072 -8.741 -3.798 582 HZ PHE 76 HZ PHE 76 119.632 -11.121 -3.342 Start of MODEL 11 1 HT1 PRO 9 HT1 PRO 9 104.672 12.627 -11.794 2 HT2 PRO 9 HT2 PRO 9 105.087 11.442 -10.730 3 HA PRO 9 HA PRO 9 104.062 13.767 -10.210 4 1HB PRO 9 1HB PRO 9 101.871 12.163 -9.187 5 2HB PRO 9 2HB PRO 9 101.815 13.666 -10.116 6 1HG PRO 9 1HG PRO 9 101.068 11.258 -11.139 7 2HG PRO 9 2HG PRO 9 101.724 12.576 -12.126 8 1HD PRO 9 1HD PRO 9 103.113 10.138 -11.054 9 2HD PRO 9 2HD PRO 9 103.218 10.869 -12.668 10 H GLY 10 H GLY 10 103.323 10.533 -8.884 11 1HA GLY 10 1HA GLY 10 105.412 10.337 -7.079 12 2HA GLY 10 2HA GLY 10 104.147 11.232 -6.251 13 H LEU 11 H LEU 11 104.946 8.899 -5.201 14 HA LEU 11 HA LEU 11 102.770 7.044 -5.894 15 1HB LEU 11 1HB LEU 11 104.524 5.498 -4.512 16 2HB LEU 11 2HB LEU 11 104.417 5.580 -6.260 17 HG LEU 11 HG LEU 11 106.164 7.548 -5.920 18 1HD1 LEU 11 1HD1 LEU 11 106.485 7.737 -3.667 19 2HD1 LEU 11 2HD1 LEU 11 107.739 6.557 -4.056 20 3HD1 LEU 11 3HD1 LEU 11 106.204 6.021 -3.372 21 1HD2 LEU 11 1HD2 LEU 11 106.265 5.080 -6.932 22 2HD2 LEU 11 2HD2 LEU 11 107.368 4.873 -5.572 23 3HD2 LEU 11 3HD2 LEU 11 107.685 6.115 -6.785 24 H GLN 12 H GLN 12 102.041 5.680 -4.060 25 HA GLN 12 HA GLN 12 101.426 7.360 -1.812 26 1HB GLN 12 1HB GLN 12 100.394 5.008 -1.040 27 2HB GLN 12 2HB GLN 12 99.581 6.083 -2.166 28 1HG GLN 12 1HG GLN 12 101.432 4.032 -3.261 29 2HG GLN 12 2HG GLN 12 99.862 3.514 -2.653 30 1HE2 GLN 12 1HE2 GLN 12 98.093 5.238 -3.395 31 2HE2 GLN 12 2HE2 GLN 12 98.077 5.503 -5.103 32 H ILE 13 H ILE 13 102.294 7.364 0.170 33 HA ILE 13 HA ILE 13 104.594 5.623 0.639 34 HB ILE 13 HB ILE 13 103.808 7.823 2.503 35 1HG1 ILE 13 1HG1 ILE 13 103.725 8.730 0.166 36 2HG1 ILE 13 2HG1 ILE 13 104.970 9.459 1.176 37 1HG2 ILE 13 1HG2 ILE 13 106.407 7.978 2.451 38 2HG2 ILE 13 2HG2 ILE 13 106.301 6.366 1.742 39 3HG2 ILE 13 3HG2 ILE 13 105.624 6.672 3.343 40 1HD1 ILE 13 1HD1 ILE 13 105.772 9.021 -1.080 41 2HD1 ILE 13 2HD1 ILE 13 105.425 7.304 -0.870 42 3HD1 ILE 13 3HD1 ILE 13 106.661 8.082 0.120 43 H TYR 14 H TYR 14 104.519 3.953 2.004 44 HA TYR 14 HA TYR 14 102.381 3.877 4.032 45 1HB TYR 14 1HB TYR 14 103.364 1.549 2.364 46 2HB TYR 14 2HB TYR 14 102.146 1.462 3.634 47 HD1 TYR 14 HD1 TYR 14 99.987 2.780 3.301 48 HD2 TYR 14 HD2 TYR 14 102.762 2.041 0.161 49 HE1 TYR 14 HE1 TYR 14 98.227 3.240 1.646 50 HE2 TYR 14 HE2 TYR 14 101.013 2.497 -1.501 51 HH TYR 14 HH TYR 14 98.424 2.392 -1.532 52 HA PRO 15 HA PRO 15 105.232 2.882 7.251 53 1HB PRO 15 1HB PRO 15 104.314 0.277 7.907 54 2HB PRO 15 2HB PRO 15 103.857 1.796 8.687 55 1HG PRO 15 1HG PRO 15 102.437 0.238 6.593 56 2HG PRO 15 2HG PRO 15 101.777 1.264 7.880 57 1HD PRO 15 1HD PRO 15 101.799 2.075 5.330 58 2HD PRO 15 2HD PRO 15 102.103 3.215 6.660 59 H TYR 16 H TYR 16 106.919 1.232 7.882 60 HA TYR 16 HA TYR 16 108.136 0.217 5.472 61 1HB TYR 16 1HB TYR 16 109.705 1.271 6.817 62 2HB TYR 16 2HB TYR 16 109.024 0.611 8.305 63 HD1 TYR 16 HD1 TYR 16 111.173 -0.101 5.408 64 HD2 TYR 16 HD2 TYR 16 109.678 -1.527 9.118 65 HE1 TYR 16 HE1 TYR 16 112.871 -1.879 5.383 66 HE2 TYR 16 HE2 TYR 16 111.374 -3.315 9.123 67 HH TYR 16 HH TYR 16 114.025 -3.333 7.522 68 H GLU 17 H GLU 17 107.575 -1.249 8.689 69 HA GLU 17 HA GLU 17 108.109 -3.858 8.180 70 1HB GLU 17 1HB GLU 17 106.349 -2.438 10.036 71 2HB GLU 17 2HB GLU 17 105.815 -4.079 9.703 72 1HG GLU 17 1HG GLU 17 107.649 -5.027 10.677 73 2HG GLU 17 2HG GLU 17 108.678 -3.628 10.359 74 H MET 18 H MET 18 104.981 -2.283 7.517 75 HA MET 18 HA MET 18 103.766 -4.596 6.411 76 1HB MET 18 1HB MET 18 103.152 -1.660 6.350 77 2HB MET 18 2HB MET 18 102.247 -2.767 5.327 78 1HG MET 18 1HG MET 18 101.105 -2.291 7.437 79 2HG MET 18 2HG MET 18 101.493 -4.003 7.251 80 1HE MET 18 1HE MET 18 100.581 -3.712 9.611 81 2HE MET 18 2HE MET 18 101.050 -2.240 10.463 82 3HE MET 18 3HE MET 18 101.707 -3.798 10.967 83 H LEU 19 H LEU 19 105.743 -2.029 5.125 84 HA LEU 19 HA LEU 19 105.306 -2.746 2.369 85 1HB LEU 19 1HB LEU 19 106.926 -0.732 3.845 86 2HB LEU 19 2HB LEU 19 107.358 -1.102 2.183 87 HG LEU 19 HG LEU 19 104.684 -0.072 3.134 88 1HD1 LEU 19 1HD1 LEU 19 106.705 1.307 1.388 89 2HD1 LEU 19 2HD1 LEU 19 106.653 1.515 3.139 90 3HD1 LEU 19 3HD1 LEU 19 105.271 1.992 2.151 91 1HD2 LEU 19 1HD2 LEU 19 105.682 -1.115 0.542 92 2HD2 LEU 19 2HD2 LEU 19 104.551 0.239 0.527 93 3HD2 LEU 19 3HD2 LEU 19 104.096 -1.284 1.292 94 H VAL 20 H VAL 20 107.190 -4.051 4.827 95 HA VAL 20 HA VAL 20 109.641 -4.568 3.626 96 HB VAL 20 HB VAL 20 108.162 -6.513 5.407 97 1HG1 VAL 20 1HG1 VAL 20 110.064 -7.619 4.689 98 2HG1 VAL 20 2HG1 VAL 20 110.603 -6.840 6.180 99 3HG1 VAL 20 3HG1 VAL 20 111.015 -6.134 4.619 100 1HG2 VAL 20 1HG2 VAL 20 108.915 -5.362 7.287 101 2HG2 VAL 20 2HG2 VAL 20 108.342 -4.088 6.215 102 3HG2 VAL 20 3HG2 VAL 20 110.066 -4.407 6.356 103 H VAL 21 H VAL 21 110.429 -6.258 2.327 104 HA VAL 21 HA VAL 21 108.605 -7.127 0.328 105 HB VAL 21 HB VAL 21 111.490 -7.873 0.797 106 1HG1 VAL 21 1HG1 VAL 21 111.126 -8.225 -1.848 107 2HG1 VAL 21 2HG1 VAL 21 109.545 -8.726 -1.246 108 3HG1 VAL 21 3HG1 VAL 21 111.006 -9.523 -0.660 109 1HG2 VAL 21 1HG2 VAL 21 110.923 -5.451 0.384 110 2HG2 VAL 21 2HG2 VAL 21 110.368 -5.940 -1.217 111 3HG2 VAL 21 3HG2 VAL 21 112.053 -6.180 -0.756 112 H THR 22 H THR 22 110.804 -9.186 2.258 113 HA THR 22 HA THR 22 108.812 -11.333 2.025 114 HB THR 22 HB THR 22 111.774 -11.491 2.607 115 HG1 THR 22 HG1 THR 22 111.851 -11.341 0.525 116 1HG2 THR 22 1HG2 THR 22 110.990 -13.414 3.604 117 2HG2 THR 22 2HG2 THR 22 111.327 -13.946 1.956 118 3HG2 THR 22 3HG2 THR 22 109.670 -13.600 2.449 119 H ASN 23 H ASN 23 111.392 -10.622 4.311 120 HA ASN 23 HA ASN 23 110.868 -11.832 6.532 121 1HB ASN 23 1HB ASN 23 111.284 -8.843 6.459 122 2HB ASN 23 2HB ASN 23 111.601 -9.890 7.843 123 1HD2 ASN 23 1HD2 ASN 23 112.591 -9.044 4.596 124 2HD2 ASN 23 2HD2 ASN 23 114.174 -9.729 4.696 125 H LYS 24 H LYS 24 109.064 -8.778 5.962 126 HA LYS 24 HA LYS 24 107.021 -9.830 7.807 127 1HB LYS 24 1HB LYS 24 108.207 -7.128 7.481 128 2HB LYS 24 2HB LYS 24 106.501 -7.217 7.907 129 1HG LYS 24 1HG LYS 24 107.712 -7.033 9.929 130 2HG LYS 24 2HG LYS 24 107.161 -8.705 9.817 131 1HD LYS 24 1HD LYS 24 109.489 -8.555 10.583 132 2HD LYS 24 2HD LYS 24 109.357 -9.401 9.041 133 1HE LYS 24 1HE LYS 24 110.653 -7.903 8.016 134 2HE LYS 24 2HE LYS 24 109.717 -6.555 8.662 135 1HZ LYS 24 1HZ LYS 24 112.241 -7.580 9.514 136 2HZ LYS 24 2HZ LYS 24 111.147 -7.479 10.800 137 3HZ LYS 24 3HZ LYS 24 111.501 -6.104 9.881 138 H GLY 25 H GLY 25 107.134 -10.165 4.831 139 1HA GLY 25 1HA GLY 25 104.439 -9.930 4.270 140 2HA GLY 25 2HA GLY 25 105.156 -8.424 3.724 141 H ARG 26 H ARG 26 104.262 -9.174 1.672 142 HA ARG 26 HA ARG 26 106.255 -10.729 0.187 143 1HB ARG 26 1HB ARG 26 104.073 -12.011 0.911 144 2HB ARG 26 2HB ARG 26 103.339 -11.105 -0.404 145 1HG ARG 26 1HG ARG 26 105.638 -12.153 -1.529 146 2HG ARG 26 2HG ARG 26 105.044 -13.445 -0.481 147 1HD ARG 26 1HD ARG 26 102.743 -12.587 -1.660 148 2HD ARG 26 2HD ARG 26 103.915 -12.347 -2.955 149 HE ARG 26 HE ARG 26 104.108 -14.623 -3.164 150 1HH1 ARG 26 1HH1 ARG 26 102.455 -13.886 -0.181 151 2HH1 ARG 26 2HH1 ARG 26 102.035 -15.534 0.139 152 1HH2 ARG 26 1HH2 ARG 26 103.557 -16.793 -2.744 153 2HH2 ARG 26 2HH2 ARG 26 102.661 -17.185 -1.315 154 H THR 27 H THR 27 104.369 -10.546 -2.190 155 HA THR 27 HA THR 27 105.076 -7.837 -2.953 156 HB THR 27 HB THR 27 104.416 -10.362 -4.341 157 HG1 THR 27 HG1 THR 27 106.045 -9.582 -5.713 158 1HG2 THR 27 1HG2 THR 27 102.642 -9.064 -5.298 159 2HG2 THR 27 2HG2 THR 27 103.936 -9.253 -6.481 160 3HG2 THR 27 3HG2 THR 27 103.743 -7.725 -5.618 161 H LYS 28 H LYS 28 102.719 -8.992 -1.211 162 HA LYS 28 HA LYS 28 100.447 -7.752 -2.514 163 1HB LYS 28 1HB LYS 28 100.836 -9.436 -0.079 164 2HB LYS 28 2HB LYS 28 99.277 -8.723 -0.475 165 1HG LYS 28 1HG LYS 28 99.620 -11.131 -1.172 166 2HG LYS 28 2HG LYS 28 99.051 -10.027 -2.422 167 1HD LYS 28 1HD LYS 28 101.285 -9.859 -3.344 168 2HD LYS 28 2HD LYS 28 101.932 -10.846 -2.034 169 1HE LYS 28 1HE LYS 28 101.513 -12.681 -3.214 170 2HE LYS 28 2HE LYS 28 99.796 -12.283 -3.227 171 1HZ LYS 28 1HZ LYS 28 100.643 -10.672 -5.136 172 2HZ LYS 28 2HZ LYS 28 100.169 -12.267 -5.441 173 3HZ LYS 28 3HZ LYS 28 101.810 -11.887 -5.294 174 H LEU 29 H LEU 29 102.462 -6.004 -1.671 175 HA LEU 29 HA LEU 29 102.087 -4.852 0.862 176 1HB LEU 29 1HB LEU 29 102.607 -2.860 -1.194 177 2HB LEU 29 2HB LEU 29 103.508 -3.210 0.255 178 HG LEU 29 HG LEU 29 103.929 -4.157 -2.544 179 1HD1 LEU 29 1HD1 LEU 29 106.320 -3.980 -1.193 180 2HD1 LEU 29 2HD1 LEU 29 105.343 -2.698 -0.482 181 3HD1 LEU 29 3HD1 LEU 29 105.599 -2.750 -2.226 182 1HD2 LEU 29 1HD2 LEU 29 103.984 -5.921 -0.263 183 2HD2 LEU 29 2HD2 LEU 29 105.606 -5.703 -0.911 184 3HD2 LEU 29 3HD2 LEU 29 104.313 -6.278 -1.958 185 HA PRO 30 HA PRO 30 98.372 -2.441 0.886 186 1HB PRO 30 1HB PRO 30 100.017 0.040 0.551 187 2HB PRO 30 2HB PRO 30 98.722 -0.301 1.710 188 1HG PRO 30 1HG PRO 30 101.271 -0.367 2.472 189 2HG PRO 30 2HG PRO 30 100.102 -1.550 3.092 190 1HD PRO 30 1HD PRO 30 102.273 -1.897 1.086 191 2HD PRO 30 2HD PRO 30 101.604 -3.065 2.245 192 HA PRO 31 HA PRO 31 97.216 -1.421 -3.245 193 1HB PRO 31 1HB PRO 31 96.030 1.058 -3.157 194 2HB PRO 31 2HB PRO 31 95.242 -0.450 -2.673 195 1HG PRO 31 1HG PRO 31 96.552 1.636 -0.977 196 2HG PRO 31 2HG PRO 31 95.053 0.735 -0.689 197 1HD PRO 31 1HD PRO 31 97.355 0.095 0.541 198 2HD PRO 31 2HD PRO 31 96.178 -1.142 0.061 199 H GLY 32 H GLY 32 98.970 -1.187 -4.544 200 1HA GLY 32 1HA GLY 32 99.979 0.232 -6.169 201 2HA GLY 32 2HA GLY 32 99.845 1.568 -5.046 202 H VAL 33 H VAL 33 101.327 -1.659 -4.528 203 HA VAL 33 HA VAL 33 103.939 -0.371 -4.446 204 HB VAL 33 HB VAL 33 103.716 -2.270 -2.323 205 1HG1 VAL 33 1HG1 VAL 33 105.464 -0.436 -3.002 206 2HG1 VAL 33 2HG1 VAL 33 105.232 -0.925 -1.326 207 3HG1 VAL 33 3HG1 VAL 33 104.475 0.550 -1.926 208 1HG2 VAL 33 1HG2 VAL 33 102.439 -1.011 -0.771 209 2HG2 VAL 33 2HG2 VAL 33 101.449 -1.260 -2.207 210 3HG2 VAL 33 3HG2 VAL 33 102.223 0.300 -1.934 211 H ASP 34 H ASP 34 105.624 -1.500 -5.026 212 HA ASP 34 HA ASP 34 105.412 -4.378 -5.421 213 1HB ASP 34 1HB ASP 34 104.877 -2.798 -7.554 214 2HB ASP 34 2HB ASP 34 106.633 -2.905 -7.688 215 H ARG 35 H ARG 35 107.346 -5.409 -5.124 216 HA ARG 35 HA ARG 35 109.343 -4.207 -3.655 217 1HB ARG 35 1HB ARG 35 109.480 -6.665 -5.395 218 2HB ARG 35 2HB ARG 35 110.730 -6.202 -4.247 219 1HG ARG 35 1HG ARG 35 109.622 -7.145 -2.587 220 2HG ARG 35 2HG ARG 35 108.184 -6.185 -2.944 221 1HD ARG 35 1HD ARG 35 107.463 -8.392 -3.153 222 2HD ARG 35 2HD ARG 35 107.752 -7.869 -4.811 223 HE ARG 35 HE ARG 35 110.092 -8.998 -4.195 224 1HH1 ARG 35 1HH1 ARG 35 106.820 -10.131 -3.736 225 2HH1 ARG 35 2HH1 ARG 35 107.250 -11.803 -3.867 226 1HH2 ARG 35 1HH2 ARG 35 110.655 -11.196 -4.367 227 2HH2 ARG 35 2HH2 ARG 35 109.425 -12.408 -4.225 228 H MET 36 H MET 36 108.872 -4.062 -7.060 229 HA MET 36 HA MET 36 111.375 -3.805 -8.125 230 1HB MET 36 1HB MET 36 108.714 -2.986 -8.843 231 2HB MET 36 2HB MET 36 109.861 -1.735 -9.301 232 1HG MET 36 1HG MET 36 110.690 -4.460 -9.988 233 2HG MET 36 2HG MET 36 109.229 -3.900 -10.806 234 1HE MET 36 1HE MET 36 112.619 -4.471 -11.852 235 2HE MET 36 2HE MET 36 112.940 -3.693 -10.302 236 3HE MET 36 3HE MET 36 113.482 -2.934 -11.799 237 H ARG 37 H ARG 37 109.565 -1.318 -6.355 238 HA ARG 37 HA ARG 37 112.087 0.109 -5.939 239 1HB ARG 37 1HB ARG 37 110.628 2.272 -6.227 240 2HB ARG 37 2HB ARG 37 111.359 1.495 -7.621 241 1HG ARG 37 1HG ARG 37 108.767 0.368 -7.118 242 2HG ARG 37 2HG ARG 37 108.660 2.125 -7.221 243 1HD ARG 37 1HD ARG 37 109.345 2.177 -9.405 244 2HD ARG 37 2HD ARG 37 110.282 0.690 -9.260 245 HE ARG 37 HE ARG 37 107.745 -0.179 -8.992 246 1HH1 ARG 37 1HH1 ARG 37 109.302 1.857 -11.362 247 2HH1 ARG 37 2HH1 ARG 37 108.253 1.372 -12.651 248 1HH2 ARG 37 1HH2 ARG 37 106.366 -0.819 -10.688 249 2HH2 ARG 37 2HH2 ARG 37 106.587 -0.148 -12.269 250 H LEU 38 H LEU 38 110.537 -1.568 -4.186 251 HA LEU 38 HA LEU 38 108.820 -0.328 -2.469 252 1HB LEU 38 1HB LEU 38 110.522 -2.646 -2.457 253 2HB LEU 38 2HB LEU 38 110.472 -1.914 -0.858 254 HG LEU 38 HG LEU 38 108.057 -2.738 -2.476 255 1HD1 LEU 38 1HD1 LEU 38 109.711 -4.078 -0.406 256 2HD1 LEU 38 2HD1 LEU 38 108.826 -4.762 -1.768 257 3HD1 LEU 38 3HD1 LEU 38 107.963 -4.278 -0.309 258 1HD2 LEU 38 1HD2 LEU 38 107.223 -2.389 0.065 259 2HD2 LEU 38 2HD2 LEU 38 107.122 -1.164 -1.197 260 3HD2 LEU 38 3HD2 LEU 38 108.459 -1.139 -0.050 261 H GLU 39 H GLU 39 112.342 -0.046 -2.551 262 HA GLU 39 HA GLU 39 112.546 1.375 -0.102 263 1HB GLU 39 1HB GLU 39 114.802 1.606 -0.544 264 2HB GLU 39 2HB GLU 39 114.395 0.137 -1.420 265 1HG GLU 39 1HG GLU 39 114.674 2.885 -2.614 266 2HG GLU 39 2HG GLU 39 115.859 1.585 -2.714 267 H ARG 40 H ARG 40 110.873 2.285 -2.679 268 HA ARG 40 HA ARG 40 111.626 5.119 -2.448 269 1HB ARG 40 1HB ARG 40 111.425 3.527 -4.720 270 2HB ARG 40 2HB ARG 40 109.932 4.456 -4.714 271 1HG ARG 40 1HG ARG 40 111.929 6.306 -4.127 272 2HG ARG 40 2HG ARG 40 112.611 5.277 -5.388 273 1HD ARG 40 1HD ARG 40 109.821 6.257 -5.716 274 2HD ARG 40 2HD ARG 40 111.142 7.397 -5.968 275 HE ARG 40 HE ARG 40 111.477 4.923 -7.387 276 1HH1 ARG 40 1HH1 ARG 40 110.035 8.100 -7.488 277 2HH1 ARG 40 2HH1 ARG 40 109.966 8.151 -9.218 278 1HH2 ARG 40 1HH2 ARG 40 111.387 4.988 -9.663 279 2HH2 ARG 40 2HH2 ARG 40 110.733 6.384 -10.454 280 H HIS 41 H HIS 41 109.324 2.775 -1.758 281 HA HIS 41 HA HIS 41 107.039 4.563 -1.768 282 1HB HIS 41 1HB HIS 41 107.509 1.656 -1.529 283 2HB HIS 41 2HB HIS 41 106.163 2.283 -0.591 284 HD1 HIS 41 HD1 HIS 41 104.391 3.754 -2.090 285 HD2 HIS 41 HD2 HIS 41 106.910 1.143 -4.115 286 HE1 HIS 41 HE1 HIS 41 103.337 3.415 -4.347 287 HE2 HIS 41 HE2 HIS 41 104.938 1.925 -5.594 288 H LEU 42 H LEU 42 109.589 3.936 0.269 289 HA LEU 42 HA LEU 42 108.166 4.076 2.765 290 1HB LEU 42 1HB LEU 42 111.098 4.189 2.065 291 2HB LEU 42 2HB LEU 42 110.471 4.183 3.708 292 HG LEU 42 HG LEU 42 109.433 1.968 2.139 293 1HD1 LEU 42 1HD1 LEU 42 112.115 2.582 1.618 294 2HD1 LEU 42 2HD1 LEU 42 111.246 1.095 1.233 295 3HD1 LEU 42 3HD1 LEU 42 112.129 1.230 2.758 296 1HD2 LEU 42 1HD2 LEU 42 109.344 2.303 4.597 297 2HD2 LEU 42 2HD2 LEU 42 111.084 2.017 4.641 298 3HD2 LEU 42 3HD2 LEU 42 109.991 0.744 4.092 299 H SER 43 H SER 43 108.043 5.813 4.113 300 HA SER 43 HA SER 43 108.288 8.408 2.899 301 1HB SER 43 1HB SER 43 107.714 8.939 5.512 302 2HB SER 43 2HB SER 43 106.497 8.563 4.289 303 HG SER 43 HG SER 43 107.170 7.169 6.482 304 H ALA 44 H ALA 44 109.391 10.212 4.100 305 HA ALA 44 HA ALA 44 112.103 9.872 4.203 306 1HB ALA 44 1HB ALA 44 111.019 12.066 4.172 307 2HB ALA 44 2HB ALA 44 112.229 11.968 5.450 308 3HB ALA 44 3HB ALA 44 110.515 11.843 5.847 309 H GLU 45 H GLU 45 109.843 9.643 6.921 310 HA GLU 45 HA GLU 45 111.759 9.159 8.924 311 1HB GLU 45 1HB GLU 45 109.674 7.796 9.912 312 2HB GLU 45 2HB GLU 45 109.765 9.549 9.950 313 1HG GLU 45 1HG GLU 45 108.531 8.343 7.554 314 2HG GLU 45 2HG GLU 45 107.639 8.201 9.067 315 H ASP 46 H ASP 46 109.688 6.876 7.170 316 HA ASP 46 HA ASP 46 110.752 4.524 8.156 317 1HB ASP 46 1HB ASP 46 109.642 5.019 5.385 318 2HB ASP 46 2HB ASP 46 109.832 3.440 6.150 319 H PHE 47 H PHE 47 111.617 6.114 5.062 320 HA PHE 47 HA PHE 47 113.664 4.395 4.341 321 1HB PHE 47 1HB PHE 47 112.558 6.376 3.062 322 2HB PHE 47 2HB PHE 47 113.854 7.334 3.783 323 HD1 PHE 47 HD1 PHE 47 113.248 4.267 1.786 324 HD2 PHE 47 HD2 PHE 47 115.923 7.429 2.764 325 HE1 PHE 47 HE1 PHE 47 114.787 3.526 -0.001 326 HE2 PHE 47 HE2 PHE 47 117.459 6.694 0.984 327 HZ PHE 47 HZ PHE 47 116.884 4.745 -0.403 328 H SER 48 H SER 48 114.009 7.553 5.959 329 HA SER 48 HA SER 48 116.765 7.295 6.444 330 1HB SER 48 1HB SER 48 115.761 9.475 6.507 331 2HB SER 48 2HB SER 48 114.655 8.991 7.793 332 HG SER 48 HG SER 48 116.785 10.198 8.246 333 H ARG 49 H ARG 49 114.120 5.749 7.931 334 HA ARG 49 HA ARG 49 115.514 5.334 10.456 335 1HB ARG 49 1HB ARG 49 113.126 5.800 10.559 336 2HB ARG 49 2HB ARG 49 112.788 4.427 9.516 337 1HG ARG 49 1HG ARG 49 112.340 3.470 11.518 338 2HG ARG 49 2HG ARG 49 114.070 3.130 11.443 339 1HD ARG 49 1HD ARG 49 114.150 4.102 13.459 340 2HD ARG 49 2HD ARG 49 114.037 5.618 12.561 341 HE ARG 49 HE ARG 49 111.453 4.964 12.917 342 1HH1 ARG 49 1HH1 ARG 49 114.146 5.151 15.130 343 2HH1 ARG 49 2HH1 ARG 49 113.160 5.573 16.490 344 1HH2 ARG 49 1HH2 ARG 49 110.156 5.520 14.704 345 2HH2 ARG 49 2HH2 ARG 49 110.895 5.783 16.248 346 H VAL 50 H VAL 50 114.637 3.592 7.538 347 HA VAL 50 HA VAL 50 115.622 1.078 8.634 348 HB VAL 50 HB VAL 50 114.672 1.552 5.814 349 1HG1 VAL 50 1HG1 VAL 50 115.978 -0.543 6.566 350 2HG1 VAL 50 2HG1 VAL 50 114.498 -0.749 5.628 351 3HG1 VAL 50 3HG1 VAL 50 114.478 -0.992 7.374 352 1HG2 VAL 50 1HG2 VAL 50 112.492 1.333 6.386 353 2HG2 VAL 50 2HG2 VAL 50 113.063 2.078 7.882 354 3HG2 VAL 50 3HG2 VAL 50 112.846 0.331 7.793 355 H PHE 51 H PHE 51 116.516 3.495 6.229 356 HA PHE 51 HA PHE 51 118.964 1.977 5.655 357 1HB PHE 51 1HB PHE 51 117.732 4.282 4.137 358 2HB PHE 51 2HB PHE 51 119.168 3.381 3.655 359 HD1 PHE 51 HD1 PHE 51 118.606 0.657 3.809 360 HD2 PHE 51 HD2 PHE 51 115.909 3.804 2.868 361 HE1 PHE 51 HE1 PHE 51 117.198 -0.928 2.552 362 HE2 PHE 51 HE2 PHE 51 114.493 2.222 1.611 363 HZ PHE 51 HZ PHE 51 115.147 -0.137 1.452 364 H ALA 52 H ALA 52 117.800 5.099 6.791 365 HA ALA 52 HA ALA 52 118.856 6.687 8.076 366 1HB ALA 52 1HB ALA 52 121.454 5.228 7.832 367 2HB ALA 52 2HB ALA 52 120.187 4.648 8.913 368 3HB ALA 52 3HB ALA 52 120.878 6.256 9.145 369 H MET 53 H MET 53 119.001 6.299 5.030 370 HA MET 53 HA MET 53 120.878 8.504 4.532 371 1HB MET 53 1HB MET 53 120.941 7.129 2.182 372 2HB MET 53 2HB MET 53 122.170 7.042 3.440 373 1HG MET 53 1HG MET 53 121.517 4.977 4.139 374 2HG MET 53 2HG MET 53 119.836 5.221 3.653 375 1HE MET 53 1HE MET 53 119.231 5.657 1.212 376 2HE MET 53 2HE MET 53 119.942 4.782 -0.145 377 3HE MET 53 3HE MET 53 120.677 6.280 0.415 378 H SER 54 H SER 54 120.425 9.679 2.559 379 HA SER 54 HA SER 54 117.687 10.404 2.445 380 1HB SER 54 1HB SER 54 119.441 12.054 2.124 381 2HB SER 54 2HB SER 54 120.039 11.179 0.707 382 HG SER 54 HG SER 54 117.835 12.847 0.978 383 HA PRO 55 HA PRO 55 116.005 7.661 -0.615 384 1HB PRO 55 1HB PRO 55 114.764 10.168 -1.662 385 2HB PRO 55 2HB PRO 55 114.008 8.614 -1.288 386 1HG PRO 55 1HG PRO 55 113.727 10.698 0.352 387 2HG PRO 55 2HG PRO 55 113.918 9.052 0.986 388 1HD PRO 55 1HD PRO 55 115.878 11.294 0.912 389 2HD PRO 55 2HD PRO 55 115.692 9.990 2.106 390 H GLU 56 H GLU 56 117.526 10.712 -1.384 391 HA GLU 56 HA GLU 56 117.972 10.066 -4.155 392 1HB GLU 56 1HB GLU 56 119.091 12.163 -4.303 393 2HB GLU 56 2HB GLU 56 117.712 12.411 -3.236 394 1HG GLU 56 1HG GLU 56 119.297 13.488 -2.033 395 2HG GLU 56 2HG GLU 56 119.512 11.860 -1.379 396 H GLU 57 H GLU 57 119.691 9.886 -1.114 397 HA GLU 57 HA GLU 57 122.281 9.445 -2.000 398 1HB GLU 57 1HB GLU 57 120.785 8.871 0.492 399 2HB GLU 57 2HB GLU 57 122.134 7.787 0.182 400 1HG GLU 57 1HG GLU 57 123.581 9.796 -0.120 401 2HG GLU 57 2HG GLU 57 122.220 10.777 0.420 402 H PHE 58 H PHE 58 119.749 7.013 -1.342 403 HA PHE 58 HA PHE 58 121.011 4.667 -1.973 404 1HB PHE 58 1HB PHE 58 118.435 5.373 -1.493 405 2HB PHE 58 2HB PHE 58 118.330 5.018 -3.215 406 HD1 PHE 58 HD1 PHE 58 118.432 3.658 0.095 407 HD2 PHE 58 HD2 PHE 58 119.066 2.727 -4.010 408 HE1 PHE 58 HE1 PHE 58 118.202 1.267 0.609 409 HE2 PHE 58 HE2 PHE 58 118.834 0.330 -3.501 410 HZ PHE 58 HZ PHE 58 118.403 -0.406 -1.190 411 H GLY 59 H GLY 59 119.121 6.495 -4.401 412 1HA GLY 59 1HA GLY 59 119.955 5.090 -6.636 413 2HA GLY 59 2HA GLY 59 119.438 6.768 -6.660 414 H LYS 60 H LYS 60 121.715 7.430 -4.784 415 HA LYS 60 HA LYS 60 123.729 7.712 -6.885 416 1HB LYS 60 1HB LYS 60 123.028 9.222 -4.419 417 2HB LYS 60 2HB LYS 60 124.717 9.236 -4.926 418 1HG LYS 60 1HG LYS 60 124.068 11.019 -6.122 419 2HG LYS 60 2HG LYS 60 123.509 9.795 -7.270 420 1HD LYS 60 1HD LYS 60 121.290 9.860 -6.070 421 2HD LYS 60 2HD LYS 60 121.889 11.276 -5.205 422 1HE LYS 60 1HE LYS 60 122.071 12.531 -7.206 423 2HE LYS 60 2HE LYS 60 121.840 11.099 -8.208 424 1HZ LYS 60 1HZ LYS 60 119.569 10.938 -7.331 425 2HZ LYS 60 2HZ LYS 60 119.831 12.393 -8.151 426 3HZ LYS 60 3HZ LYS 60 119.802 12.371 -6.460 427 H LEU 61 H LEU 61 123.111 5.522 -4.522 428 HA LEU 61 HA LEU 61 125.726 5.272 -3.400 429 1HB LEU 61 1HB LEU 61 123.258 3.529 -3.314 430 2HB LEU 61 2HB LEU 61 124.712 3.202 -2.402 431 HG LEU 61 HG LEU 61 122.756 5.418 -2.017 432 1HD1 LEU 61 1HD1 LEU 61 123.404 4.402 0.403 433 2HD1 LEU 61 2HD1 LEU 61 123.583 2.985 -0.631 434 3HD1 LEU 61 3HD1 LEU 61 122.052 3.856 -0.589 435 1HD2 LEU 61 1HD2 LEU 61 124.344 6.289 -0.286 436 2HD2 LEU 61 2HD2 LEU 61 124.854 6.552 -1.954 437 3HD2 LEU 61 3HD2 LEU 61 125.585 5.260 -1.002 438 H ALA 62 H ALA 62 125.513 2.281 -3.614 439 HA ALA 62 HA ALA 62 126.393 1.947 -6.395 440 1HB ALA 62 1HB ALA 62 127.686 0.538 -4.079 441 2HB ALA 62 2HB ALA 62 128.274 2.075 -4.711 442 3HB ALA 62 3HB ALA 62 128.250 0.646 -5.745 443 H LEU 63 H LEU 63 126.583 -0.476 -6.940 444 HA LEU 63 HA LEU 63 124.014 -1.635 -6.631 445 1HB LEU 63 1HB LEU 63 125.651 -1.887 -8.566 446 2HB LEU 63 2HB LEU 63 126.478 -3.074 -7.574 447 HG LEU 63 HG LEU 63 123.650 -3.657 -7.713 448 1HD1 LEU 63 1HD1 LEU 63 123.429 -2.772 -9.826 449 2HD1 LEU 63 2HD1 LEU 63 123.902 -4.433 -10.176 450 3HD1 LEU 63 3HD1 LEU 63 125.096 -3.139 -10.272 451 1HD2 LEU 63 1HD2 LEU 63 125.697 -5.393 -8.958 452 2HD2 LEU 63 2HD2 LEU 63 124.398 -5.794 -7.834 453 3HD2 LEU 63 3HD2 LEU 63 125.878 -5.041 -7.239 454 H TRP 64 H TRP 64 126.999 -1.991 -4.896 455 HA TRP 64 HA TRP 64 126.150 -4.413 -3.566 456 1HB TRP 64 1HB TRP 64 128.357 -4.065 -2.378 457 2HB TRP 64 2HB TRP 64 128.479 -4.258 -4.132 458 HD1 TRP 64 HD1 TRP 64 129.469 -2.232 -5.479 459 HE1 TRP 64 HE1 TRP 64 130.393 0.067 -4.800 460 HE3 TRP 64 HE3 TRP 64 127.905 -2.211 -0.739 461 HZ2 TRP 64 HZ2 TRP 64 130.443 1.680 -2.430 462 HZ3 TRP 64 HZ3 TRP 64 128.426 -0.258 0.708 463 HH2 TRP 64 HH2 TRP 64 129.654 1.641 -0.135 464 H LYS 65 H LYS 65 126.458 -0.993 -3.101 465 HA LYS 65 HA LYS 65 125.905 -0.980 -0.297 466 1HB LYS 65 1HB LYS 65 126.865 0.897 -1.961 467 2HB LYS 65 2HB LYS 65 125.169 1.369 -1.968 468 1HG LYS 65 1HG LYS 65 127.114 1.362 0.306 469 2HG LYS 65 2HG LYS 65 126.091 2.671 -0.288 470 1HD LYS 65 1HD LYS 65 124.117 1.556 0.575 471 2HD LYS 65 2HD LYS 65 125.093 0.179 1.095 472 1HE LYS 65 1HE LYS 65 124.791 1.430 3.044 473 2HE LYS 65 2HE LYS 65 126.407 1.885 2.485 474 1HZ LYS 65 1HZ LYS 65 125.366 3.851 1.425 475 2HZ LYS 65 2HZ LYS 65 125.239 3.849 3.112 476 3HZ LYS 65 3HZ LYS 65 123.900 3.442 2.163 477 H ARG 66 H ARG 66 123.934 -0.062 -3.131 478 HA ARG 66 HA ARG 66 121.497 0.290 -1.878 479 1HB ARG 66 1HB ARG 66 122.055 -0.873 -4.608 480 2HB ARG 66 2HB ARG 66 120.480 -0.315 -4.066 481 1HG ARG 66 1HG ARG 66 121.343 1.933 -3.798 482 2HG ARG 66 2HG ARG 66 122.947 1.381 -4.284 483 1HD ARG 66 1HD ARG 66 120.875 0.661 -6.199 484 2HD ARG 66 2HD ARG 66 121.000 2.407 -5.947 485 HE ARG 66 HE ARG 66 123.571 1.652 -6.299 486 1HH1 ARG 66 1HH1 ARG 66 120.658 1.102 -8.139 487 2HH1 ARG 66 2HH1 ARG 66 121.484 1.023 -9.659 488 1HH2 ARG 66 1HH2 ARG 66 124.660 1.547 -8.296 489 2HH2 ARG 66 2HH2 ARG 66 123.755 1.274 -9.749 490 H ASN 67 H ASN 67 122.986 -2.646 -3.088 491 HA ASN 67 HA ASN 67 120.885 -4.433 -2.626 492 1HB ASN 67 1HB ASN 67 123.792 -4.632 -3.038 493 2HB ASN 67 2HB ASN 67 123.105 -5.962 -2.103 494 1HD2 ASN 67 1HD2 ASN 67 122.483 -4.077 -5.044 495 2HD2 ASN 67 2HD2 ASN 67 121.944 -5.417 -5.992 496 H GLU 68 H GLU 68 123.766 -4.121 -0.558 497 HA GLU 68 HA GLU 68 122.990 -5.512 1.622 498 1HB GLU 68 1HB GLU 68 124.724 -3.128 1.256 499 2HB GLU 68 2HB GLU 68 124.292 -3.567 2.903 500 1HG GLU 68 1HG GLU 68 125.434 -5.561 2.819 501 2HG GLU 68 2HG GLU 68 125.350 -5.657 1.061 502 H LEU 69 H LEU 69 122.016 -2.188 0.872 503 HA LEU 69 HA LEU 69 120.724 -1.684 3.329 504 1HB LEU 69 1HB LEU 69 119.938 -0.515 0.673 505 2HB LEU 69 2HB LEU 69 119.698 0.178 2.266 506 HG LEU 69 HG LEU 69 122.458 -0.376 1.423 507 1HD1 LEU 69 1HD1 LEU 69 121.731 2.271 0.640 508 2HD1 LEU 69 2HD1 LEU 69 120.742 1.095 -0.217 509 3HD1 LEU 69 3HD1 LEU 69 122.497 1.001 -0.306 510 1HD2 LEU 69 1HD2 LEU 69 122.368 0.487 3.564 511 2HD2 LEU 69 2HD2 LEU 69 121.027 1.565 3.177 512 3HD2 LEU 69 3HD2 LEU 69 122.651 1.931 2.592 513 H LYS 70 H LYS 70 119.289 -2.382 0.171 514 HA LYS 70 HA LYS 70 116.693 -2.947 1.139 515 1HB LYS 70 1HB LYS 70 118.183 -3.515 -1.389 516 2HB LYS 70 2HB LYS 70 116.669 -4.359 -1.100 517 1HG LYS 70 1HG LYS 70 115.410 -2.449 -1.245 518 2HG LYS 70 2HG LYS 70 116.754 -1.401 -0.776 519 1HD LYS 70 1HD LYS 70 116.870 -0.918 -2.966 520 2HD LYS 70 2HD LYS 70 117.673 -2.483 -3.108 521 1HE LYS 70 1HE LYS 70 114.707 -2.447 -3.168 522 2HE LYS 70 2HE LYS 70 115.557 -1.825 -4.581 523 1HZ LYS 70 1HZ LYS 70 115.468 -3.999 -5.146 524 2HZ LYS 70 2HZ LYS 70 115.414 -4.547 -3.547 525 3HZ LYS 70 3HZ LYS 70 116.888 -4.069 -4.225 526 H LYS 71 H LYS 71 119.618 -4.714 1.174 527 HA LYS 71 HA LYS 71 118.410 -7.319 1.492 528 1HB LYS 71 1HB LYS 71 121.256 -6.293 1.590 529 2HB LYS 71 2HB LYS 71 120.839 -7.977 1.913 530 1HG LYS 71 1HG LYS 71 119.678 -6.991 -0.556 531 2HG LYS 71 2HG LYS 71 121.436 -6.863 -0.534 532 1HD LYS 71 1HD LYS 71 120.101 -9.398 0.331 533 2HD LYS 71 2HD LYS 71 120.329 -9.054 -1.385 534 1HE LYS 71 1HE LYS 71 122.766 -8.645 -0.839 535 2HE LYS 71 2HE LYS 71 122.433 -9.339 0.747 536 1HZ LYS 71 1HZ LYS 71 122.372 -10.654 -1.892 537 2HZ LYS 71 2HZ LYS 71 121.506 -11.300 -0.592 538 3HZ LYS 71 3HZ LYS 71 123.185 -11.129 -0.486 539 H LYS 72 H LYS 72 119.654 -4.756 3.491 540 HA LYS 72 HA LYS 72 119.522 -6.406 5.888 541 1HB LYS 72 1HB LYS 72 121.501 -5.035 5.724 542 2HB LYS 72 2HB LYS 72 120.534 -3.600 5.411 543 1HG LYS 72 1HG LYS 72 119.707 -4.755 7.888 544 2HG LYS 72 2HG LYS 72 121.465 -4.577 7.885 545 1HD LYS 72 1HD LYS 72 121.098 -2.450 8.470 546 2HD LYS 72 2HD LYS 72 120.598 -2.199 6.797 547 1HE LYS 72 1HE LYS 72 118.524 -1.744 7.453 548 2HE LYS 72 2HE LYS 72 118.412 -3.302 8.269 549 1HZ LYS 72 1HZ LYS 72 118.828 -2.385 10.265 550 2HZ LYS 72 2HZ LYS 72 118.263 -0.970 9.531 551 3HZ LYS 72 3HZ LYS 72 119.926 -1.250 9.658 552 H ALA 73 H ALA 73 117.839 -4.013 4.129 553 HA ALA 73 HA ALA 73 116.154 -3.128 6.290 554 1HB ALA 73 1HB ALA 73 116.482 -2.519 3.407 555 2HB ALA 73 2HB ALA 73 116.388 -1.427 4.787 556 3HB ALA 73 3HB ALA 73 114.920 -2.166 4.146 557 H GLU 74 H GLU 74 116.304 -6.007 4.858 558 HA GLU 74 HA GLU 74 114.866 -7.742 4.591 559 1HB GLU 74 1HB GLU 74 113.115 -5.870 6.177 560 2HB GLU 74 2HB GLU 74 112.558 -7.453 5.662 561 1HG GLU 74 1HG GLU 74 113.309 -7.813 7.822 562 2HG GLU 74 2HG GLU 74 114.657 -8.354 6.823 563 H LEU 75 H LEU 75 114.944 -5.294 2.727 564 HA LEU 75 HA LEU 75 112.655 -6.149 1.151 565 1HB LEU 75 1HB LEU 75 112.817 -3.477 0.493 566 2HB LEU 75 2HB LEU 75 111.572 -4.238 1.475 567 HG LEU 75 HG LEU 75 113.759 -3.624 3.151 568 1HD1 LEU 75 1HD1 LEU 75 113.490 -1.049 2.796 569 2HD1 LEU 75 2HD1 LEU 75 113.135 -1.530 1.133 570 3HD1 LEU 75 3HD1 LEU 75 114.680 -1.965 1.867 571 1HD2 LEU 75 1HD2 LEU 75 110.905 -3.041 2.881 572 2HD2 LEU 75 2HD2 LEU 75 111.821 -1.804 3.742 573 3HD2 LEU 75 3HD2 LEU 75 111.845 -3.472 4.312 574 H PHE 76 H PHE 76 114.703 -7.327 0.335 575 HA PHE 76 HA PHE 76 115.697 -5.753 -1.951 576 1HB PHE 76 1HB PHE 76 117.716 -6.013 -0.903 577 2HB PHE 76 2HB PHE 76 117.218 -7.480 -0.055 578 HD1 PHE 76 HD1 PHE 76 117.290 -9.654 -1.230 579 HD2 PHE 76 HD2 PHE 76 118.783 -6.091 -3.014 580 HE1 PHE 76 HE1 PHE 76 118.517 -11.001 -2.884 581 HE2 PHE 76 HE2 PHE 76 120.013 -7.430 -4.671 582 HZ PHE 76 HZ PHE 76 119.881 -9.888 -4.608 Start of MODEL 12 1 HT1 PRO 9 HT1 PRO 9 101.695 14.511 -6.773 2 HT2 PRO 9 HT2 PRO 9 103.122 14.000 -6.133 3 HA PRO 9 HA PRO 9 102.093 13.391 -8.436 4 1HB PRO 9 1HB PRO 9 104.477 14.710 -9.434 5 2HB PRO 9 2HB PRO 9 102.820 14.781 -10.049 6 1HG PRO 9 1HG PRO 9 104.039 16.881 -8.821 7 2HG PRO 9 2HG PRO 9 102.287 16.612 -8.784 8 1HD PRO 9 1HD PRO 9 104.346 15.973 -6.692 9 2HD PRO 9 2HD PRO 9 102.740 16.701 -6.498 10 H GLY 10 H GLY 10 102.699 11.438 -7.457 11 1HA GLY 10 1HA GLY 10 105.183 10.371 -8.249 12 2HA GLY 10 2HA GLY 10 105.269 10.786 -6.545 13 H LEU 11 H LEU 11 105.199 8.938 -5.490 14 HA LEU 11 HA LEU 11 103.060 7.037 -6.168 15 1HB LEU 11 1HB LEU 11 104.828 5.543 -4.747 16 2HB LEU 11 2HB LEU 11 104.736 5.598 -6.497 17 HG LEU 11 HG LEU 11 106.442 7.598 -6.187 18 1HD1 LEU 11 1HD1 LEU 11 107.997 7.092 -4.325 19 2HD1 LEU 11 2HD1 LEU 11 106.812 5.947 -3.695 20 3HD1 LEU 11 3HD1 LEU 11 106.418 7.664 -3.786 21 1HD2 LEU 11 1HD2 LEU 11 106.609 5.111 -7.131 22 2HD2 LEU 11 2HD2 LEU 11 107.692 4.956 -5.748 23 3HD2 LEU 11 3HD2 LEU 11 108.008 6.174 -6.985 24 H GLN 12 H GLN 12 102.336 5.690 -4.312 25 HA GLN 12 HA GLN 12 101.669 7.396 -2.100 26 1HB GLN 12 1HB GLN 12 100.628 5.123 -1.270 27 2HB GLN 12 2HB GLN 12 99.875 6.043 -2.564 28 1HG GLN 12 1HG GLN 12 101.872 4.009 -3.350 29 2HG GLN 12 2HG GLN 12 100.335 3.427 -2.716 30 1HE2 GLN 12 1HE2 GLN 12 101.648 3.495 -5.450 31 2HE2 GLN 12 2HE2 GLN 12 100.420 4.127 -6.486 32 H ILE 13 H ILE 13 102.097 6.983 0.122 33 HA ILE 13 HA ILE 13 104.398 5.232 0.633 34 HB ILE 13 HB ILE 13 104.058 8.003 1.782 35 1HG1 ILE 13 1HG1 ILE 13 105.736 6.944 -0.490 36 2HG1 ILE 13 2HG1 ILE 13 104.621 8.310 -0.500 37 1HG2 ILE 13 1HG2 ILE 13 106.039 7.689 2.932 38 2HG2 ILE 13 2HG2 ILE 13 106.552 6.359 1.893 39 3HG2 ILE 13 3HG2 ILE 13 105.267 6.110 3.074 40 1HD1 ILE 13 1HD1 ILE 13 106.388 9.612 -0.218 41 2HD1 ILE 13 2HD1 ILE 13 107.436 8.229 0.101 42 3HD1 ILE 13 3HD1 ILE 13 106.520 8.964 1.417 43 H TYR 14 H TYR 14 104.040 3.844 2.205 44 HA TYR 14 HA TYR 14 102.165 4.533 4.366 45 1HB TYR 14 1HB TYR 14 102.409 1.728 3.294 46 2HB TYR 14 2HB TYR 14 101.123 2.426 4.271 47 HD1 TYR 14 HD1 TYR 14 102.571 2.346 0.870 48 HD2 TYR 14 HD2 TYR 14 99.260 3.484 3.287 49 HE1 TYR 14 HE1 TYR 14 101.247 2.763 -1.152 50 HE2 TYR 14 HE2 TYR 14 97.924 3.909 1.270 51 HH TYR 14 HH TYR 14 98.402 2.772 -1.523 52 HA PRO 15 HA PRO 15 104.872 2.983 7.530 53 1HB PRO 15 1HB PRO 15 103.526 0.304 7.497 54 2HB PRO 15 2HB PRO 15 103.986 1.315 8.878 55 1HG PRO 15 1HG PRO 15 101.460 1.241 8.073 56 2HG PRO 15 2HG PRO 15 102.198 2.774 8.572 57 1HD PRO 15 1HD PRO 15 101.542 1.784 5.843 58 2HD PRO 15 2HD PRO 15 101.526 3.445 6.475 59 H TYR 16 H TYR 16 106.571 1.296 7.993 60 HA TYR 16 HA TYR 16 107.853 0.597 5.519 61 1HB TYR 16 1HB TYR 16 109.408 1.397 6.995 62 2HB TYR 16 2HB TYR 16 108.600 0.702 8.395 63 HD1 TYR 16 HD1 TYR 16 110.488 -0.357 5.355 64 HD2 TYR 16 HD2 TYR 16 109.551 -1.101 9.430 65 HE1 TYR 16 HE1 TYR 16 112.133 -2.181 5.379 66 HE2 TYR 16 HE2 TYR 16 111.193 -2.935 9.483 67 HH TYR 16 HH TYR 16 112.296 -4.457 7.907 68 H GLU 17 H GLU 17 107.098 -1.300 8.450 69 HA GLU 17 HA GLU 17 107.690 -3.817 7.591 70 1HB GLU 17 1HB GLU 17 105.434 -2.865 9.344 71 2HB GLU 17 2HB GLU 17 105.745 -4.574 9.070 72 1HG GLU 17 1HG GLU 17 108.187 -3.877 9.800 73 2HG GLU 17 2HG GLU 17 107.306 -2.577 10.607 74 H MET 18 H MET 18 105.007 -1.863 6.541 75 HA MET 18 HA MET 18 103.491 -4.003 5.404 76 1HB MET 18 1HB MET 18 103.207 -1.170 5.774 77 2HB MET 18 2HB MET 18 102.819 -1.584 4.112 78 1HG MET 18 1HG MET 18 101.044 -2.937 4.725 79 2HG MET 18 2HG MET 18 101.642 -3.139 6.374 80 1HE MET 18 1HE MET 18 98.481 -2.357 5.794 81 2HE MET 18 2HE MET 18 98.380 -1.327 7.221 82 3HE MET 18 3HE MET 18 99.326 -2.815 7.273 83 H LEU 19 H LEU 19 105.859 -1.698 4.166 84 HA LEU 19 HA LEU 19 105.585 -2.701 1.446 85 1HB LEU 19 1HB LEU 19 107.727 -0.811 2.352 86 2HB LEU 19 2HB LEU 19 106.947 -0.927 0.785 87 HG LEU 19 HG LEU 19 105.773 0.210 3.312 88 1HD1 LEU 19 1HD1 LEU 19 107.091 1.333 0.960 89 2HD1 LEU 19 2HD1 LEU 19 106.827 2.031 2.558 90 3HD1 LEU 19 3HD1 LEU 19 105.544 2.086 1.349 91 1HD2 LEU 19 1HD2 LEU 19 104.187 0.647 0.970 92 2HD2 LEU 19 2HD2 LEU 19 103.732 -0.083 2.510 93 3HD2 LEU 19 3HD2 LEU 19 104.421 -1.081 1.231 94 H VAL 20 H VAL 20 106.954 -4.084 3.996 95 HA VAL 20 HA VAL 20 109.628 -4.544 3.255 96 HB VAL 20 HB VAL 20 107.836 -6.479 4.725 97 1HG1 VAL 20 1HG1 VAL 20 110.818 -6.096 4.638 98 2HG1 VAL 20 2HG1 VAL 20 109.906 -7.514 4.108 99 3HG1 VAL 20 3HG1 VAL 20 109.989 -7.101 5.823 100 1HG2 VAL 20 1HG2 VAL 20 108.235 -5.376 6.707 101 2HG2 VAL 20 2HG2 VAL 20 107.978 -4.046 5.574 102 3HG2 VAL 20 3HG2 VAL 20 109.614 -4.490 6.059 103 H VAL 21 H VAL 21 110.506 -6.653 2.411 104 HA VAL 21 HA VAL 21 108.878 -7.435 0.113 105 HB VAL 21 HB VAL 21 111.812 -7.906 0.628 106 1HG1 VAL 21 1HG1 VAL 21 110.068 -9.133 -1.222 107 2HG1 VAL 21 2HG1 VAL 21 111.826 -9.247 -1.145 108 3HG1 VAL 21 3HG1 VAL 21 111.066 -7.998 -2.131 109 1HG2 VAL 21 1HG2 VAL 21 110.957 -5.514 0.324 110 2HG2 VAL 21 2HG2 VAL 21 110.637 -5.980 -1.346 111 3HG2 VAL 21 3HG2 VAL 21 112.278 -6.052 -0.711 112 H THR 22 H THR 22 111.217 -9.225 2.169 113 HA THR 22 HA THR 22 109.546 -11.596 1.736 114 HB THR 22 HB THR 22 111.987 -11.551 1.069 115 HG1 THR 22 HG1 THR 22 110.694 -13.477 1.462 116 1HG2 THR 22 1HG2 THR 22 112.872 -10.497 3.121 117 2HG2 THR 22 2HG2 THR 22 113.658 -12.021 2.709 118 3HG2 THR 22 3HG2 THR 22 112.464 -11.967 4.006 119 H ASN 23 H ASN 23 111.368 -10.036 4.353 120 HA ASN 23 HA ASN 23 110.766 -11.687 6.435 121 1HB ASN 23 1HB ASN 23 110.906 -8.671 6.550 122 2HB ASN 23 2HB ASN 23 111.096 -9.767 7.920 123 1HD2 ASN 23 1HD2 ASN 23 112.506 -8.640 4.934 124 2HD2 ASN 23 2HD2 ASN 23 114.112 -9.197 5.250 125 H LYS 24 H LYS 24 108.650 -9.172 5.100 126 HA LYS 24 HA LYS 24 106.556 -10.135 6.938 127 1HB LYS 24 1HB LYS 24 107.375 -7.436 6.139 128 2HB LYS 24 2HB LYS 24 105.636 -7.704 6.087 129 1HG LYS 24 1HG LYS 24 106.408 -6.785 8.233 130 2HG LYS 24 2HG LYS 24 105.627 -8.358 8.405 131 1HD LYS 24 1HD LYS 24 107.586 -8.333 9.790 132 2HD LYS 24 2HD LYS 24 107.889 -9.404 8.422 133 1HE LYS 24 1HE LYS 24 109.826 -8.233 8.329 134 2HE LYS 24 2HE LYS 24 108.829 -7.120 7.394 135 1HZ LYS 24 1HZ LYS 24 110.018 -5.888 9.034 136 2HZ LYS 24 2HZ LYS 24 109.503 -6.913 10.277 137 3HZ LYS 24 3HZ LYS 24 108.389 -5.910 9.492 138 H GLY 25 H GLY 25 107.241 -11.183 4.224 139 1HA GLY 25 1HA GLY 25 105.097 -12.143 3.167 140 2HA GLY 25 2HA GLY 25 104.761 -10.461 2.800 141 H ARG 26 H ARG 26 104.870 -10.393 0.644 142 HA ARG 26 HA ARG 26 107.446 -10.767 -0.614 143 1HB ARG 26 1HB ARG 26 106.304 -12.130 -2.473 144 2HB ARG 26 2HB ARG 26 106.756 -12.964 -0.995 145 1HG ARG 26 1HG ARG 26 103.989 -11.904 -1.508 146 2HG ARG 26 2HG ARG 26 104.500 -13.536 -1.929 147 1HD ARG 26 1HD ARG 26 105.309 -13.450 0.630 148 2HD ARG 26 2HD ARG 26 103.941 -12.339 0.715 149 HE ARG 26 HE ARG 26 102.894 -14.448 -0.585 150 1HH1 ARG 26 1HH1 ARG 26 104.743 -14.199 2.366 151 2HH1 ARG 26 2HH1 ARG 26 104.010 -15.591 3.088 152 1HH2 ARG 26 1HH2 ARG 26 101.929 -16.278 0.366 153 2HH2 ARG 26 2HH2 ARG 26 102.413 -16.772 1.954 154 H THR 27 H THR 27 104.001 -10.150 -1.144 155 HA THR 27 HA THR 27 104.613 -7.680 -2.514 156 HB THR 27 HB THR 27 103.757 -10.139 -3.844 157 HG1 THR 27 HG1 THR 27 104.883 -7.687 -4.685 158 1HG2 THR 27 1HG2 THR 27 101.604 -9.073 -3.974 159 2HG2 THR 27 2HG2 THR 27 102.388 -9.054 -5.555 160 3HG2 THR 27 3HG2 THR 27 102.345 -7.589 -4.575 161 H LYS 28 H LYS 28 103.204 -8.904 -0.126 162 HA LYS 28 HA LYS 28 100.450 -8.223 -0.478 163 1HB LYS 28 1HB LYS 28 102.116 -9.255 1.774 164 2HB LYS 28 2HB LYS 28 100.462 -8.723 2.057 165 1HG LYS 28 1HG LYS 28 100.654 -11.155 1.691 166 2HG LYS 28 2HG LYS 28 99.610 -10.355 0.516 167 1HD LYS 28 1HD LYS 28 101.854 -10.242 -0.887 168 2HD LYS 28 2HD LYS 28 102.289 -11.605 0.142 169 1HE LYS 28 1HE LYS 28 99.846 -11.401 -1.612 170 2HE LYS 28 2HE LYS 28 101.283 -12.371 -1.937 171 1HZ LYS 28 1HZ LYS 28 100.050 -12.879 0.626 172 2HZ LYS 28 2HZ LYS 28 100.612 -13.967 -0.541 173 3HZ LYS 28 3HZ LYS 28 99.076 -13.274 -0.701 174 H LEU 29 H LEU 29 102.793 -6.127 -0.424 175 HA LEU 29 HA LEU 29 102.367 -4.449 1.783 176 1HB LEU 29 1HB LEU 29 102.765 -2.930 -0.676 177 2HB LEU 29 2HB LEU 29 103.683 -2.907 0.811 178 HG LEU 29 HG LEU 29 105.119 -3.437 -1.013 179 1HD1 LEU 29 1HD1 LEU 29 105.875 -4.603 0.859 180 2HD1 LEU 29 2HD1 LEU 29 105.757 -5.873 -0.360 181 3HD1 LEU 29 3HD1 LEU 29 104.496 -5.701 0.864 182 1HD2 LEU 29 1HD2 LEU 29 102.904 -4.678 -2.062 183 2HD2 LEU 29 2HD2 LEU 29 104.044 -5.994 -1.773 184 3HD2 LEU 29 3HD2 LEU 29 104.522 -4.615 -2.755 185 HA PRO 30 HA PRO 30 98.565 -2.277 1.253 186 1HB PRO 30 1HB PRO 30 100.038 0.258 0.773 187 2HB PRO 30 2HB PRO 30 98.836 -0.125 2.013 188 1HG PRO 30 1HG PRO 30 101.438 0.099 2.612 189 2HG PRO 30 2HG PRO 30 100.397 -1.091 3.417 190 1HD PRO 30 1HD PRO 30 102.435 -1.501 1.265 191 2HD PRO 30 2HD PRO 30 101.999 -2.555 2.626 192 HA PRO 31 HA PRO 31 97.902 -1.355 -3.047 193 1HB PRO 31 1HB PRO 31 96.357 0.839 -3.206 194 2HB PRO 31 2HB PRO 31 95.766 -0.670 -2.496 195 1HG PRO 31 1HG PRO 31 96.707 1.819 -1.148 196 2HG PRO 31 2HG PRO 31 95.382 0.733 -0.703 197 1HD PRO 31 1HD PRO 31 97.899 0.731 0.454 198 2HD PRO 31 2HD PRO 31 96.761 -0.628 0.496 199 H GLY 32 H GLY 32 99.763 -0.885 -4.140 200 1HA GLY 32 1HA GLY 32 100.664 0.819 -5.648 201 2HA GLY 32 2HA GLY 32 100.489 1.974 -4.336 202 H VAL 33 H VAL 33 101.743 -1.260 -3.864 203 HA VAL 33 HA VAL 33 104.488 -0.262 -3.717 204 HB VAL 33 HB VAL 33 104.045 -2.067 -1.553 205 1HG1 VAL 33 1HG1 VAL 33 104.743 0.777 -1.149 206 2HG1 VAL 33 2HG1 VAL 33 105.819 -0.205 -2.143 207 3HG1 VAL 33 3HG1 VAL 33 105.483 -0.676 -0.478 208 1HG2 VAL 33 1HG2 VAL 33 102.249 0.328 -1.696 209 2HG2 VAL 33 2HG2 VAL 33 102.801 -0.307 -0.149 210 3HG2 VAL 33 3HG2 VAL 33 101.849 -1.323 -1.229 211 H ASP 34 H ASP 34 105.936 -1.573 -4.542 212 HA ASP 34 HA ASP 34 105.396 -4.436 -4.728 213 1HB ASP 34 1HB ASP 34 104.543 -3.378 -6.828 214 2HB ASP 34 2HB ASP 34 106.175 -2.787 -7.143 215 H ARG 35 H ARG 35 107.246 -5.711 -4.864 216 HA ARG 35 HA ARG 35 109.526 -4.865 -3.586 217 1HB ARG 35 1HB ARG 35 110.633 -6.872 -4.735 218 2HB ARG 35 2HB ARG 35 109.224 -7.179 -3.728 219 1HG ARG 35 1HG ARG 35 108.536 -6.668 -6.509 220 2HG ARG 35 2HG ARG 35 109.600 -8.064 -6.299 221 1HD ARG 35 1HD ARG 35 107.920 -8.657 -4.375 222 2HD ARG 35 2HD ARG 35 106.831 -7.609 -5.281 223 HE ARG 35 HE ARG 35 107.700 -9.235 -7.204 224 1HH1 ARG 35 1HH1 ARG 35 106.538 -9.947 -3.992 225 2HH1 ARG 35 2HH1 ARG 35 105.906 -11.498 -4.431 226 1HH2 ARG 35 1HH2 ARG 35 106.869 -11.272 -7.781 227 2HH2 ARG 35 2HH2 ARG 35 106.093 -12.250 -6.581 228 H MET 36 H MET 36 108.687 -4.411 -6.917 229 HA MET 36 HA MET 36 111.138 -4.131 -8.144 230 1HB MET 36 1HB MET 36 108.430 -3.350 -8.680 231 2HB MET 36 2HB MET 36 109.511 -2.040 -9.136 232 1HG MET 36 1HG MET 36 110.449 -4.652 -10.011 233 2HG MET 36 2HG MET 36 108.871 -4.218 -10.672 234 1HE MET 36 1HE MET 36 112.271 -1.652 -10.195 235 2HE MET 36 2HE MET 36 112.961 -2.605 -11.509 236 3HE MET 36 3HE MET 36 112.393 -3.406 -10.044 237 H ARG 37 H ARG 37 109.411 -1.770 -6.149 238 HA ARG 37 HA ARG 37 111.913 -0.364 -5.686 239 1HB ARG 37 1HB ARG 37 110.656 1.855 -6.095 240 2HB ARG 37 2HB ARG 37 111.273 0.974 -7.482 241 1HG ARG 37 1HG ARG 37 108.556 0.213 -6.765 242 2HG ARG 37 2HG ARG 37 108.719 1.920 -7.177 243 1HD ARG 37 1HD ARG 37 110.209 0.379 -9.056 244 2HD ARG 37 2HD ARG 37 108.592 -0.309 -8.918 245 HE ARG 37 HE ARG 37 108.193 2.388 -9.154 246 1HH1 ARG 37 1HH1 ARG 37 109.786 -0.062 -11.063 247 2HH1 ARG 37 2HH1 ARG 37 109.480 0.735 -12.569 248 1HH2 ARG 37 1HH2 ARG 37 107.788 3.436 -11.137 249 2HH2 ARG 37 2HH2 ARG 37 108.345 2.719 -12.611 250 H LEU 38 H LEU 38 110.645 -1.902 -3.866 251 HA LEU 38 HA LEU 38 108.681 -0.641 -2.323 252 1HB LEU 38 1HB LEU 38 110.614 -2.851 -1.895 253 2HB LEU 38 2HB LEU 38 109.875 -2.139 -0.466 254 HG LEU 38 HG LEU 38 108.378 -3.329 -2.799 255 1HD1 LEU 38 1HD1 LEU 38 108.870 -5.265 -1.812 256 2HD1 LEU 38 2HD1 LEU 38 107.733 -4.765 -0.561 257 3HD1 LEU 38 3HD1 LEU 38 109.458 -4.472 -0.351 258 1HD2 LEU 38 1HD2 LEU 38 106.516 -2.421 -2.005 259 2HD2 LEU 38 2HD2 LEU 38 107.535 -1.410 -0.982 260 3HD2 LEU 38 3HD2 LEU 38 106.890 -2.927 -0.358 261 H GLU 39 H GLU 39 112.128 -0.169 -2.465 262 HA GLU 39 HA GLU 39 112.230 1.311 -0.004 263 1HB GLU 39 1HB GLU 39 114.560 1.759 -0.583 264 2HB GLU 39 2HB GLU 39 114.186 0.047 -0.708 265 1HG GLU 39 1HG GLU 39 115.493 0.501 -2.565 266 2HG GLU 39 2HG GLU 39 113.846 0.474 -3.191 267 H ARG 40 H ARG 40 110.621 2.071 -2.586 268 HA ARG 40 HA ARG 40 111.493 4.883 -2.615 269 1HB ARG 40 1HB ARG 40 111.367 3.168 -4.751 270 2HB ARG 40 2HB ARG 40 109.805 3.968 -4.833 271 1HG ARG 40 1HG ARG 40 112.341 5.540 -4.570 272 2HG ARG 40 2HG ARG 40 111.761 4.980 -6.140 273 1HD ARG 40 1HD ARG 40 110.824 7.084 -6.016 274 2HD ARG 40 2HD ARG 40 109.519 6.071 -5.398 275 HE ARG 40 HE ARG 40 109.751 7.077 -3.356 276 1HH1 ARG 40 1HH1 ARG 40 112.574 7.778 -5.284 277 2HH1 ARG 40 2HH1 ARG 40 113.222 8.912 -4.148 278 1HH2 ARG 40 1HH2 ARG 40 110.603 8.568 -1.860 279 2HH2 ARG 40 2HH2 ARG 40 112.105 9.361 -2.204 280 H HIS 41 H HIS 41 109.267 2.779 -1.487 281 HA HIS 41 HA HIS 41 107.011 4.632 -1.682 282 1HB HIS 41 1HB HIS 41 107.194 1.687 -1.043 283 2HB HIS 41 2HB HIS 41 105.719 2.621 -0.872 284 HD1 HIS 41 HD1 HIS 41 104.899 3.820 -3.193 285 HD2 HIS 41 HD2 HIS 41 107.562 0.646 -3.522 286 HE1 HIS 41 HE1 HIS 41 104.739 3.053 -5.581 287 HE2 HIS 41 HE2 HIS 41 106.302 1.084 -5.738 288 H LEU 42 H LEU 42 109.517 3.984 0.341 289 HA LEU 42 HA LEU 42 108.119 4.014 2.846 290 1HB LEU 42 1HB LEU 42 111.001 4.116 2.001 291 2HB LEU 42 2HB LEU 42 110.520 4.311 3.681 292 HG LEU 42 HG LEU 42 109.299 1.960 2.523 293 1HD1 LEU 42 1HD1 LEU 42 111.998 2.449 1.712 294 2HD1 LEU 42 2HD1 LEU 42 110.945 1.083 1.344 295 3HD1 LEU 42 3HD1 LEU 42 111.937 1.059 2.805 296 1HD2 LEU 42 1HD2 LEU 42 110.531 2.887 4.939 297 2HD2 LEU 42 2HD2 LEU 42 111.086 1.268 4.527 298 3HD2 LEU 42 3HD2 LEU 42 109.361 1.593 4.695 299 H SER 43 H SER 43 107.888 5.716 4.205 300 HA SER 43 HA SER 43 107.907 8.333 3.109 301 1HB SER 43 1HB SER 43 106.497 7.255 5.085 302 2HB SER 43 2HB SER 43 107.804 7.922 6.068 303 HG SER 43 HG SER 43 105.797 9.208 4.670 304 H ALA 44 H ALA 44 109.084 10.185 4.006 305 HA ALA 44 HA ALA 44 111.810 9.962 3.850 306 1HB ALA 44 1HB ALA 44 110.112 12.042 4.170 307 2HB ALA 44 2HB ALA 44 111.866 12.176 4.279 308 3HB ALA 44 3HB ALA 44 110.900 12.024 5.747 309 H GLU 45 H GLU 45 109.867 9.958 6.822 310 HA GLU 45 HA GLU 45 111.997 9.647 8.627 311 1HB GLU 45 1HB GLU 45 110.055 8.371 9.958 312 2HB GLU 45 2HB GLU 45 110.117 10.120 9.825 313 1HG GLU 45 1HG GLU 45 108.656 8.703 7.693 314 2HG GLU 45 2HG GLU 45 107.936 8.664 9.301 315 H ASP 46 H ASP 46 109.793 7.219 7.281 316 HA ASP 46 HA ASP 46 110.983 4.966 8.367 317 1HB ASP 46 1HB ASP 46 109.605 5.173 5.678 318 2HB ASP 46 2HB ASP 46 109.852 3.695 6.610 319 H PHE 47 H PHE 47 111.529 6.302 5.068 320 HA PHE 47 HA PHE 47 113.455 4.540 4.231 321 1HB PHE 47 1HB PHE 47 112.392 6.523 2.975 322 2HB PHE 47 2HB PHE 47 113.707 7.483 3.661 323 HD1 PHE 47 HD1 PHE 47 113.034 4.419 1.700 324 HD2 PHE 47 HD2 PHE 47 115.767 7.543 2.612 325 HE1 PHE 47 HE1 PHE 47 114.547 3.619 -0.089 326 HE2 PHE 47 HE2 PHE 47 117.282 6.755 0.837 327 HZ PHE 47 HZ PHE 47 116.667 4.796 -0.520 328 H SER 48 H SER 48 114.091 7.665 5.833 329 HA SER 48 HA SER 48 116.857 7.169 6.165 330 1HB SER 48 1HB SER 48 115.484 9.411 6.270 331 2HB SER 48 2HB SER 48 115.372 9.024 7.988 332 HG SER 48 HG SER 48 117.251 10.330 7.165 333 H ARG 49 H ARG 49 114.169 5.881 7.722 334 HA ARG 49 HA ARG 49 115.464 5.471 10.287 335 1HB ARG 49 1HB ARG 49 113.108 5.972 10.336 336 2HB ARG 49 2HB ARG 49 112.757 4.674 9.206 337 1HG ARG 49 1HG ARG 49 114.087 3.509 11.397 338 2HG ARG 49 2HG ARG 49 112.869 4.604 12.050 339 1HD ARG 49 1HD ARG 49 111.556 3.315 9.986 340 2HD ARG 49 2HD ARG 49 112.549 2.046 10.710 341 HE ARG 49 HE ARG 49 111.267 3.441 12.767 342 1HH1 ARG 49 1HH1 ARG 49 110.464 1.323 10.111 343 2HH1 ARG 49 2HH1 ARG 49 109.057 0.679 10.887 344 1HH2 ARG 49 1HH2 ARG 49 109.417 2.595 13.789 345 2HH2 ARG 49 2HH2 ARG 49 108.462 1.401 12.975 346 H VAL 50 H VAL 50 114.464 3.596 7.456 347 HA VAL 50 HA VAL 50 115.508 1.139 8.611 348 HB VAL 50 HB VAL 50 114.539 1.423 5.779 349 1HG1 VAL 50 1HG1 VAL 50 115.703 -0.655 6.683 350 2HG1 VAL 50 2HG1 VAL 50 114.151 -0.882 5.872 351 3HG1 VAL 50 3HG1 VAL 50 114.241 -0.915 7.633 352 1HG2 VAL 50 1HG2 VAL 50 112.695 0.656 8.006 353 2HG2 VAL 50 2HG2 VAL 50 112.312 1.175 6.364 354 3HG2 VAL 50 3HG2 VAL 50 112.896 2.347 7.547 355 H PHE 51 H PHE 51 116.296 3.406 6.015 356 HA PHE 51 HA PHE 51 118.696 1.852 5.383 357 1HB PHE 51 1HB PHE 51 117.440 4.204 3.960 358 2HB PHE 51 2HB PHE 51 118.885 3.350 3.421 359 HD1 PHE 51 HD1 PHE 51 115.649 3.753 2.651 360 HD2 PHE 51 HD2 PHE 51 118.343 0.600 3.552 361 HE1 PHE 51 HE1 PHE 51 114.253 2.198 1.336 362 HE2 PHE 51 HE2 PHE 51 116.961 -0.960 2.243 363 HZ PHE 51 HZ PHE 51 114.917 -0.158 1.135 364 H ALA 52 H ALA 52 117.723 5.062 6.519 365 HA ALA 52 HA ALA 52 118.901 6.590 7.776 366 1HB ALA 52 1HB ALA 52 121.399 4.975 7.459 367 2HB ALA 52 2HB ALA 52 120.146 4.509 8.611 368 3HB ALA 52 3HB ALA 52 120.951 6.071 8.765 369 H MET 53 H MET 53 118.888 6.216 4.748 370 HA MET 53 HA MET 53 120.839 8.329 4.148 371 1HB MET 53 1HB MET 53 120.906 6.940 1.849 372 2HB MET 53 2HB MET 53 122.079 6.740 3.146 373 1HG MET 53 1HG MET 53 121.325 4.697 3.710 374 2HG MET 53 2HG MET 53 119.644 5.101 3.352 375 1HE MET 53 1HE MET 53 118.913 5.668 0.918 376 2HE MET 53 2HE MET 53 119.559 4.862 -0.513 377 3HE MET 53 3HE MET 53 120.389 6.262 0.154 378 H SER 54 H SER 54 120.368 9.462 2.161 379 HA SER 54 HA SER 54 117.630 10.186 2.045 380 1HB SER 54 1HB SER 54 120.057 10.948 0.425 381 2HB SER 54 2HB SER 54 118.453 11.621 0.101 382 HG SER 54 HG SER 54 118.800 12.948 1.680 383 HA PRO 55 HA PRO 55 115.981 7.325 -0.934 384 1HB PRO 55 1HB PRO 55 114.420 9.286 -2.253 385 2HB PRO 55 2HB PRO 55 113.882 8.176 -0.991 386 1HG PRO 55 1HG PRO 55 114.656 11.024 -0.795 387 2HG PRO 55 2HG PRO 55 113.558 10.076 0.226 388 1HD PRO 55 1HD PRO 55 116.022 10.843 1.041 389 2HD PRO 55 2HD PRO 55 115.260 9.333 1.584 390 H GLU 56 H GLU 56 117.379 10.415 -1.734 391 HA GLU 56 HA GLU 56 117.760 9.791 -4.520 392 1HB GLU 56 1HB GLU 56 118.819 11.919 -4.687 393 2HB GLU 56 2HB GLU 56 117.462 12.125 -3.584 394 1HG GLU 56 1HG GLU 56 119.315 11.618 -1.773 395 2HG GLU 56 2HG GLU 56 120.378 12.219 -3.049 396 H GLU 57 H GLU 57 119.567 9.656 -1.522 397 HA GLU 57 HA GLU 57 122.140 9.278 -2.482 398 1HB GLU 57 1HB GLU 57 120.739 8.650 0.059 399 2HB GLU 57 2HB GLU 57 122.105 7.602 -0.307 400 1HG GLU 57 1HG GLU 57 123.374 9.807 -0.759 401 2HG GLU 57 2HG GLU 57 122.065 10.546 0.161 402 H PHE 58 H PHE 58 119.702 6.765 -1.747 403 HA PHE 58 HA PHE 58 120.970 4.451 -2.397 404 1HB PHE 58 1HB PHE 58 118.350 5.178 -2.026 405 2HB PHE 58 2HB PHE 58 118.335 4.696 -3.720 406 HD1 PHE 58 HD1 PHE 58 119.249 2.379 -4.290 407 HD2 PHE 58 HD2 PHE 58 118.223 3.581 -0.338 408 HE1 PHE 58 HE1 PHE 58 119.058 0.018 -3.619 409 HE2 PHE 58 HE2 PHE 58 118.044 1.225 0.341 410 HZ PHE 58 HZ PHE 58 118.468 -0.564 -1.302 411 H GLY 59 H GLY 59 119.108 6.243 -4.870 412 1HA GLY 59 1HA GLY 59 119.979 4.835 -7.082 413 2HA GLY 59 2HA GLY 59 119.462 6.513 -7.122 414 H LYS 60 H LYS 60 121.747 7.163 -5.221 415 HA LYS 60 HA LYS 60 123.784 7.362 -7.321 416 1HB LYS 60 1HB LYS 60 123.456 8.950 -4.770 417 2HB LYS 60 2HB LYS 60 124.714 9.208 -5.976 418 1HG LYS 60 1HG LYS 60 122.839 9.606 -7.636 419 2HG LYS 60 2HG LYS 60 121.760 9.676 -6.237 420 1HD LYS 60 1HD LYS 60 122.368 11.774 -5.813 421 2HD LYS 60 2HD LYS 60 124.073 11.320 -5.779 422 1HE LYS 60 1HE LYS 60 124.063 11.435 -8.280 423 2HE LYS 60 2HE LYS 60 122.431 12.095 -8.184 424 1HZ LYS 60 1HZ LYS 60 123.578 14.023 -8.195 425 2HZ LYS 60 2HZ LYS 60 124.980 13.345 -7.536 426 3HZ LYS 60 3HZ LYS 60 123.677 13.734 -6.531 427 H LEU 61 H LEU 61 123.160 5.293 -4.898 428 HA LEU 61 HA LEU 61 125.741 5.207 -3.654 429 1HB LEU 61 1HB LEU 61 123.364 3.341 -3.525 430 2HB LEU 61 2HB LEU 61 124.780 3.226 -2.506 431 HG LEU 61 HG LEU 61 122.680 5.344 -2.487 432 1HD1 LEU 61 1HD1 LEU 61 121.880 4.096 -0.860 433 2HD1 LEU 61 2HD1 LEU 61 123.332 4.452 0.073 434 3HD1 LEU 61 3HD1 LEU 61 123.266 3.013 -0.946 435 1HD2 LEU 61 1HD2 LEU 61 125.412 5.404 -1.236 436 2HD2 LEU 61 2HD2 LEU 61 124.078 6.429 -0.708 437 3HD2 LEU 61 3HD2 LEU 61 124.708 6.578 -2.347 438 H ALA 62 H ALA 62 125.577 2.191 -3.672 439 HA ALA 62 HA ALA 62 126.592 1.703 -6.387 440 1HB ALA 62 1HB ALA 62 127.784 0.419 -3.952 441 2HB ALA 62 2HB ALA 62 128.372 1.954 -4.585 442 3HB ALA 62 3HB ALA 62 128.442 0.502 -5.585 443 H LEU 63 H LEU 63 126.781 -0.719 -6.827 444 HA LEU 63 HA LEU 63 124.223 -1.887 -6.538 445 1HB LEU 63 1HB LEU 63 125.944 -2.237 -8.386 446 2HB LEU 63 2HB LEU 63 126.727 -3.367 -7.295 447 HG LEU 63 HG LEU 63 123.901 -3.951 -7.532 448 1HD1 LEU 63 1HD1 LEU 63 125.516 -3.781 -10.059 449 2HD1 LEU 63 2HD1 LEU 63 123.933 -3.082 -9.721 450 3HD1 LEU 63 3HD1 LEU 63 124.108 -4.828 -9.889 451 1HD2 LEU 63 1HD2 LEU 63 124.642 -6.092 -7.471 452 2HD2 LEU 63 2HD2 LEU 63 126.097 -5.305 -6.857 453 3HD2 LEU 63 3HD2 LEU 63 125.996 -5.772 -8.555 454 H TRP 64 H TRP 64 127.123 -2.114 -4.653 455 HA TRP 64 HA TRP 64 126.227 -4.467 -3.228 456 1HB TRP 64 1HB TRP 64 128.389 -4.051 -1.980 457 2HB TRP 64 2HB TRP 64 128.573 -4.349 -3.715 458 HD1 TRP 64 HD1 TRP 64 129.608 -2.405 -5.147 459 HE1 TRP 64 HE1 TRP 64 130.524 -0.075 -4.572 460 HE3 TRP 64 HE3 TRP 64 127.893 -2.103 -0.469 461 HZ2 TRP 64 HZ2 TRP 64 130.512 1.671 -2.299 462 HZ3 TRP 64 HZ3 TRP 64 128.382 -0.070 0.880 463 HH2 TRP 64 HH2 TRP 64 129.649 1.770 -0.032 464 H LYS 65 H LYS 65 126.516 -1.025 -2.949 465 HA LYS 65 HA LYS 65 125.840 -0.888 -0.166 466 1HB LYS 65 1HB LYS 65 126.870 0.904 -1.964 467 2HB LYS 65 2HB LYS 65 125.206 1.464 -1.820 468 1HG LYS 65 1HG LYS 65 126.275 0.899 0.782 469 2HG LYS 65 2HG LYS 65 127.354 1.987 -0.095 470 1HD LYS 65 1HD LYS 65 125.344 3.395 -0.623 471 2HD LYS 65 2HD LYS 65 124.424 2.377 0.492 472 1HE LYS 65 1HE LYS 65 125.276 4.497 1.497 473 2HE LYS 65 2HE LYS 65 125.804 3.029 2.332 474 1HZ LYS 65 1HZ LYS 65 127.939 3.391 1.790 475 2HZ LYS 65 2HZ LYS 65 127.447 4.998 1.597 476 3HZ LYS 65 3HZ LYS 65 127.579 3.987 0.247 477 H ARG 66 H ARG 66 124.046 -0.098 -3.153 478 HA ARG 66 HA ARG 66 121.557 0.402 -2.069 479 1HB ARG 66 1HB ARG 66 122.229 -0.986 -4.660 480 2HB ARG 66 2HB ARG 66 120.639 -0.368 -4.252 481 1HG ARG 66 1HG ARG 66 121.547 1.886 -4.098 482 2HG ARG 66 2HG ARG 66 123.146 1.263 -4.507 483 1HD ARG 66 1HD ARG 66 121.076 0.461 -6.401 484 2HD ARG 66 2HD ARG 66 121.275 2.215 -6.289 485 HE ARG 66 HE ARG 66 123.814 1.332 -6.531 486 1HH1 ARG 66 1HH1 ARG 66 120.910 0.730 -8.368 487 2HH1 ARG 66 2HH1 ARG 66 121.754 0.475 -9.859 488 1HH2 ARG 66 1HH2 ARG 66 124.928 0.997 -8.489 489 2HH2 ARG 66 2HH2 ARG 66 124.036 0.626 -9.927 490 H ASN 67 H ASN 67 123.018 -2.649 -2.986 491 HA ASN 67 HA ASN 67 120.840 -4.337 -2.460 492 1HB ASN 67 1HB ASN 67 123.742 -4.646 -2.829 493 2HB ASN 67 2HB ASN 67 123.007 -5.898 -1.828 494 1HD2 ASN 67 1HD2 ASN 67 122.682 -4.231 -4.927 495 2HD2 ASN 67 2HD2 ASN 67 122.026 -5.579 -5.783 496 H GLU 68 H GLU 68 123.704 -3.933 -0.386 497 HA GLU 68 HA GLU 68 122.936 -5.193 1.866 498 1HB GLU 68 1HB GLU 68 125.122 -4.137 1.585 499 2HB GLU 68 2HB GLU 68 124.386 -2.548 1.744 500 1HG GLU 68 1HG GLU 68 125.334 -2.986 3.830 501 2HG GLU 68 2HG GLU 68 123.613 -3.303 4.042 502 H LEU 69 H LEU 69 121.905 -1.937 0.926 503 HA LEU 69 HA LEU 69 120.601 -1.314 3.348 504 1HB LEU 69 1HB LEU 69 119.785 -0.307 0.638 505 2HB LEU 69 2HB LEU 69 119.583 0.483 2.188 506 HG LEU 69 HG LEU 69 122.331 -0.132 1.385 507 1HD1 LEU 69 1HD1 LEU 69 120.677 1.061 -0.468 508 2HD1 LEU 69 2HD1 LEU 69 122.436 1.111 -0.443 509 3HD1 LEU 69 3HD1 LEU 69 121.507 2.404 0.299 510 1HD2 LEU 69 1HD2 LEU 69 122.307 0.988 3.378 511 2HD2 LEU 69 2HD2 LEU 69 120.874 1.925 2.953 512 3HD2 LEU 69 3HD2 LEU 69 122.439 2.344 2.259 513 H LYS 70 H LYS 70 119.183 -2.217 0.238 514 HA LYS 70 HA LYS 70 116.587 -2.784 1.221 515 1HB LYS 70 1HB LYS 70 118.123 -3.420 -1.255 516 2HB LYS 70 2HB LYS 70 116.664 -4.343 -0.934 517 1HG LYS 70 1HG LYS 70 115.314 -2.391 -0.960 518 2HG LYS 70 2HG LYS 70 116.733 -1.339 -0.958 519 1HD LYS 70 1HD LYS 70 116.483 -1.278 -3.181 520 2HD LYS 70 2HD LYS 70 117.142 -2.915 -3.175 521 1HE LYS 70 1HE LYS 70 114.781 -3.741 -2.886 522 2HE LYS 70 2HE LYS 70 114.247 -2.088 -3.194 523 1HZ LYS 70 1HZ LYS 70 115.241 -2.166 -5.359 524 2HZ LYS 70 2HZ LYS 70 114.224 -3.507 -5.187 525 3HZ LYS 70 3HZ LYS 70 115.900 -3.696 -5.064 526 H LYS 71 H LYS 71 119.558 -4.479 1.383 527 HA LYS 71 HA LYS 71 118.411 -7.085 1.850 528 1HB LYS 71 1HB LYS 71 121.223 -5.974 1.910 529 2HB LYS 71 2HB LYS 71 120.855 -7.640 2.357 530 1HG LYS 71 1HG LYS 71 119.678 -6.907 -0.180 531 2HG LYS 71 2HG LYS 71 121.424 -6.678 -0.169 532 1HD LYS 71 1HD LYS 71 120.672 -8.951 -0.918 533 2HD LYS 71 2HD LYS 71 121.803 -8.954 0.436 534 1HE LYS 71 1HE LYS 71 118.952 -8.879 1.168 535 2HE LYS 71 2HE LYS 71 119.488 -10.358 0.374 536 1HZ LYS 71 1HZ LYS 71 121.439 -9.961 2.173 537 2HZ LYS 71 2HZ LYS 71 120.089 -10.946 2.435 538 3HZ LYS 71 3HZ LYS 71 120.101 -9.357 3.013 539 H LYS 72 H LYS 72 119.598 -4.392 3.724 540 HA LYS 72 HA LYS 72 119.439 -5.917 6.200 541 1HB LYS 72 1HB LYS 72 121.419 -4.570 6.016 542 2HB LYS 72 2HB LYS 72 120.477 -3.151 5.580 543 1HG LYS 72 1HG LYS 72 119.773 -4.330 8.170 544 2HG LYS 72 2HG LYS 72 121.419 -3.690 8.066 545 1HD LYS 72 1HD LYS 72 120.709 -1.558 7.977 546 2HD LYS 72 2HD LYS 72 119.361 -1.948 6.907 547 1HE LYS 72 1HE LYS 72 118.287 -1.272 8.845 548 2HE LYS 72 2HE LYS 72 118.316 -3.027 9.014 549 1HZ LYS 72 1HZ LYS 72 119.136 -1.337 10.905 550 2HZ LYS 72 2HZ LYS 72 120.604 -1.630 10.120 551 3HZ LYS 72 3HZ LYS 72 119.713 -2.920 10.752 552 H ALA 73 H ALA 73 117.755 -3.643 4.302 553 HA ALA 73 HA ALA 73 116.077 -2.611 6.399 554 1HB ALA 73 1HB ALA 73 116.362 -2.241 3.471 555 2HB ALA 73 2HB ALA 73 116.311 -1.038 4.760 556 3HB ALA 73 3HB ALA 73 114.821 -1.810 4.213 557 H GLU 74 H GLU 74 116.213 -5.584 5.099 558 HA GLU 74 HA GLU 74 114.773 -7.344 5.096 559 1HB GLU 74 1HB GLU 74 112.716 -5.396 6.151 560 2HB GLU 74 2HB GLU 74 112.590 -7.144 6.170 561 1HG GLU 74 1HG GLU 74 114.903 -6.848 7.493 562 2HG GLU 74 2HG GLU 74 114.109 -5.335 7.926 563 H LEU 75 H LEU 75 114.806 -4.967 3.010 564 HA LEU 75 HA LEU 75 112.700 -6.164 1.394 565 1HB LEU 75 1HB LEU 75 112.679 -3.553 0.525 566 2HB LEU 75 2HB LEU 75 111.441 -4.347 1.489 567 HG LEU 75 HG LEU 75 113.202 -3.492 3.388 568 1HD1 LEU 75 1HD1 LEU 75 113.532 -1.058 2.803 569 2HD1 LEU 75 2HD1 LEU 75 113.210 -1.518 1.127 570 3HD1 LEU 75 3HD1 LEU 75 114.593 -2.205 1.980 571 1HD2 LEU 75 1HD2 LEU 75 110.990 -3.143 3.844 572 2HD2 LEU 75 2HD2 LEU 75 110.655 -2.469 2.250 573 3HD2 LEU 75 3HD2 LEU 75 111.488 -1.495 3.463 574 H PHE 76 H PHE 76 114.699 -7.281 0.647 575 HA PHE 76 HA PHE 76 115.870 -5.752 -1.580 576 1HB PHE 76 1HB PHE 76 117.851 -6.139 -0.567 577 2HB PHE 76 2HB PHE 76 117.177 -7.389 0.481 578 HD1 PHE 76 HD1 PHE 76 117.004 -9.720 -0.358 579 HD2 PHE 76 HD2 PHE 76 119.030 -6.681 -2.542 580 HE1 PHE 76 HE1 PHE 76 118.140 -11.444 -1.696 581 HE2 PHE 76 HE2 PHE 76 120.169 -8.400 -3.884 582 HZ PHE 76 HZ PHE 76 119.725 -10.785 -3.462 Start of MODEL 13 1 HT1 PRO 9 HT1 PRO 9 105.086 13.525 -11.061 2 HT2 PRO 9 HT2 PRO 9 106.209 12.387 -10.668 3 HA PRO 9 HA PRO 9 103.450 12.350 -10.550 4 1HB PRO 9 1HB PRO 9 104.071 9.646 -11.090 5 2HB PRO 9 2HB PRO 9 103.023 10.714 -12.031 6 1HG PRO 9 1HG PRO 9 105.889 10.040 -12.434 7 2HG PRO 9 2HG PRO 9 104.639 10.411 -13.635 8 1HD PRO 9 1HD PRO 9 106.525 12.199 -13.047 9 2HD PRO 9 2HD PRO 9 104.851 12.715 -13.325 10 H GLY 10 H GLY 10 103.201 12.114 -8.425 11 1HA GLY 10 1HA GLY 10 105.360 10.948 -6.845 12 2HA GLY 10 2HA GLY 10 103.978 11.834 -6.221 13 H LEU 11 H LEU 11 104.981 9.440 -5.176 14 HA LEU 11 HA LEU 11 102.791 7.580 -5.798 15 1HB LEU 11 1HB LEU 11 104.312 5.807 -4.948 16 2HB LEU 11 2HB LEU 11 104.822 6.559 -6.445 17 HG LEU 11 HG LEU 11 106.099 8.037 -4.451 18 1HD1 LEU 11 1HD1 LEU 11 106.828 5.234 -3.847 19 2HD1 LEU 11 2HD1 LEU 11 105.354 5.862 -3.108 20 3HD1 LEU 11 3HD1 LEU 11 106.895 6.672 -2.828 21 1HD2 LEU 11 1HD2 LEU 11 107.452 5.754 -5.809 22 2HD2 LEU 11 2HD2 LEU 11 108.013 7.408 -5.555 23 3HD2 LEU 11 3HD2 LEU 11 106.789 7.070 -6.779 24 H GLN 12 H GLN 12 102.167 6.168 -3.957 25 HA GLN 12 HA GLN 12 101.649 7.792 -1.646 26 1HB GLN 12 1HB GLN 12 100.758 5.332 -0.896 27 2HB GLN 12 2HB GLN 12 99.810 6.496 -1.805 28 1HG GLN 12 1HG GLN 12 99.664 4.266 -2.763 29 2HG GLN 12 2HG GLN 12 100.414 5.399 -3.884 30 1HE2 GLN 12 1HE2 GLN 12 101.415 3.763 -5.036 31 2HE2 GLN 12 2HE2 GLN 12 102.764 2.882 -4.415 32 H ILE 13 H ILE 13 102.316 7.449 0.473 33 HA ILE 13 HA ILE 13 104.698 5.747 0.756 34 HB ILE 13 HB ILE 13 104.144 8.203 2.400 35 1HG1 ILE 13 1HG1 ILE 13 104.337 8.673 -0.102 36 2HG1 ILE 13 2HG1 ILE 13 105.480 9.513 0.945 37 1HG2 ILE 13 1HG2 ILE 13 106.604 6.545 1.884 38 2HG2 ILE 13 2HG2 ILE 13 105.696 6.671 3.393 39 3HG2 ILE 13 3HG2 ILE 13 106.592 8.064 2.783 40 1HD1 ILE 13 1HD1 ILE 13 106.030 7.086 -0.742 41 2HD1 ILE 13 2HD1 ILE 13 107.176 7.810 0.387 42 3HD1 ILE 13 3HD1 ILE 13 106.616 8.727 -1.013 43 H TYR 14 H TYR 14 104.243 4.005 1.931 44 HA TYR 14 HA TYR 14 102.379 4.274 4.200 45 1HB TYR 14 1HB TYR 14 103.050 1.746 2.680 46 2HB TYR 14 2HB TYR 14 101.803 1.945 3.908 47 HD1 TYR 14 HD1 TYR 14 100.004 3.804 3.348 48 HD2 TYR 14 HD2 TYR 14 102.425 1.829 0.460 49 HE1 TYR 14 HE1 TYR 14 98.362 4.356 1.603 50 HE2 TYR 14 HE2 TYR 14 100.790 2.375 -1.293 51 HH TYR 14 HH TYR 14 98.006 2.940 -1.101 52 HA PRO 15 HA PRO 15 105.259 3.038 7.305 53 1HB PRO 15 1HB PRO 15 103.853 0.405 7.518 54 2HB PRO 15 2HB PRO 15 104.323 1.537 8.797 55 1HG PRO 15 1HG PRO 15 101.796 1.402 7.992 56 2HG PRO 15 2HG PRO 15 102.543 2.969 8.363 57 1HD PRO 15 1HD PRO 15 101.902 1.749 5.720 58 2HD PRO 15 2HD PRO 15 101.869 3.455 6.214 59 H TYR 16 H TYR 16 106.887 1.300 7.888 60 HA TYR 16 HA TYR 16 108.068 0.327 5.442 61 1HB TYR 16 1HB TYR 16 109.683 1.270 6.804 62 2HB TYR 16 2HB TYR 16 108.968 0.623 8.279 63 HD1 TYR 16 HD1 TYR 16 109.547 -1.529 9.089 64 HD2 TYR 16 HD2 TYR 16 111.073 -0.171 5.363 65 HE1 TYR 16 HE1 TYR 16 111.153 -3.397 9.075 66 HE2 TYR 16 HE2 TYR 16 112.683 -2.027 5.322 67 HH TYR 16 HH TYR 16 113.519 -3.773 7.941 68 H GLU 17 H GLU 17 107.426 -1.214 8.609 69 HA GLU 17 HA GLU 17 107.878 -3.830 7.984 70 1HB GLU 17 1HB GLU 17 106.363 -2.409 9.992 71 2HB GLU 17 2HB GLU 17 105.544 -3.901 9.553 72 1HG GLU 17 1HG GLU 17 107.521 -5.186 10.068 73 2HG GLU 17 2HG GLU 17 108.426 -3.707 10.401 74 H MET 18 H MET 18 104.822 -2.082 7.438 75 HA MET 18 HA MET 18 103.478 -4.299 6.286 76 1HB MET 18 1HB MET 18 102.933 -1.491 6.777 77 2HB MET 18 2HB MET 18 102.333 -1.988 5.202 78 1HG MET 18 1HG MET 18 101.423 -4.027 6.666 79 2HG MET 18 2HG MET 18 101.452 -2.772 7.907 80 1HE MET 18 1HE MET 18 98.722 -4.371 5.905 81 2HE MET 18 2HE MET 18 100.091 -4.208 4.806 82 3HE MET 18 3HE MET 18 98.590 -3.340 4.480 83 H LEU 19 H LEU 19 105.659 -1.886 5.087 84 HA LEU 19 HA LEU 19 105.170 -2.568 2.308 85 1HB LEU 19 1HB LEU 19 106.786 -0.505 3.738 86 2HB LEU 19 2HB LEU 19 107.119 -0.860 2.050 87 HG LEU 19 HG LEU 19 104.469 0.073 3.153 88 1HD1 LEU 19 1HD1 LEU 19 106.264 1.619 1.325 89 2HD1 LEU 19 2HD1 LEU 19 106.479 1.684 3.075 90 3HD1 LEU 19 3HD1 LEU 19 104.952 2.196 2.354 91 1HD2 LEU 19 1HD2 LEU 19 104.059 -1.282 1.262 92 2HD2 LEU 19 2HD2 LEU 19 105.421 -0.588 0.382 93 3HD2 LEU 19 3HD2 LEU 19 103.986 0.389 0.701 94 H VAL 20 H VAL 20 106.756 -4.184 4.595 95 HA VAL 20 HA VAL 20 109.361 -4.493 3.513 96 HB VAL 20 HB VAL 20 107.851 -6.535 5.148 97 1HG1 VAL 20 1HG1 VAL 20 110.362 -6.744 5.967 98 2HG1 VAL 20 2HG1 VAL 20 110.670 -6.161 4.331 99 3HG1 VAL 20 3HG1 VAL 20 109.753 -7.649 4.579 100 1HG2 VAL 20 1HG2 VAL 20 108.075 -4.079 6.015 101 2HG2 VAL 20 2HG2 VAL 20 109.728 -4.578 6.358 102 3HG2 VAL 20 3HG2 VAL 20 108.375 -5.448 7.082 103 H VAL 21 H VAL 21 110.192 -6.418 2.372 104 HA VAL 21 HA VAL 21 108.353 -7.146 0.256 105 HB VAL 21 HB VAL 21 111.263 -7.876 0.587 106 1HG1 VAL 21 1HG1 VAL 21 110.555 -9.378 -0.985 107 2HG1 VAL 21 2HG1 VAL 21 110.933 -8.001 -2.020 108 3HG1 VAL 21 3HG1 VAL 21 109.261 -8.329 -1.568 109 1HG2 VAL 21 1HG2 VAL 21 110.130 -5.721 -1.174 110 2HG2 VAL 21 2HG2 VAL 21 111.816 -6.021 -0.758 111 3HG2 VAL 21 3HG2 VAL 21 110.703 -5.410 0.465 112 H THR 22 H THR 22 110.701 -9.140 2.077 113 HA THR 22 HA THR 22 108.846 -11.395 1.773 114 HB THR 22 HB THR 22 111.818 -11.321 2.279 115 HG1 THR 22 HG1 THR 22 111.987 -11.914 0.220 116 1HG2 THR 22 1HG2 THR 22 110.830 -13.257 3.425 117 2HG2 THR 22 2HG2 THR 22 111.844 -13.721 2.058 118 3HG2 THR 22 3HG2 THR 22 110.088 -13.754 1.905 119 H ASN 23 H ASN 23 111.301 -10.438 4.126 120 HA ASN 23 HA ASN 23 110.814 -11.854 6.283 121 1HB ASN 23 1HB ASN 23 111.107 -8.849 6.375 122 2HB ASN 23 2HB ASN 23 111.475 -9.969 7.688 123 1HD2 ASN 23 1HD2 ASN 23 112.426 -8.860 4.511 124 2HD2 ASN 23 2HD2 ASN 23 114.036 -9.487 4.565 125 H LYS 24 H LYS 24 108.688 -9.116 5.414 126 HA LYS 24 HA LYS 24 106.832 -10.089 7.489 127 1HB LYS 24 1HB LYS 24 107.695 -7.379 6.739 128 2HB LYS 24 2HB LYS 24 105.966 -7.556 7.014 129 1HG LYS 24 1HG LYS 24 107.166 -6.854 9.028 130 2HG LYS 24 2HG LYS 24 106.374 -8.417 9.235 131 1HD LYS 24 1HD LYS 24 108.581 -8.505 10.205 132 2HD LYS 24 2HD LYS 24 108.535 -9.528 8.770 133 1HE LYS 24 1HE LYS 24 110.509 -8.419 8.424 134 2HE LYS 24 2HE LYS 24 109.394 -7.346 7.583 135 1HZ LYS 24 1HZ LYS 24 109.657 -5.730 9.109 136 2HZ LYS 24 2HZ LYS 24 111.132 -6.507 9.399 137 3HZ LYS 24 3HZ LYS 24 109.808 -6.804 10.408 138 H GLY 25 H GLY 25 106.987 -10.953 4.634 139 1HA GLY 25 1HA GLY 25 104.569 -11.614 3.921 140 2HA GLY 25 2HA GLY 25 104.439 -9.891 3.620 141 H ARG 26 H ARG 26 104.142 -9.966 1.461 142 HA ARG 26 HA ARG 26 106.463 -10.759 -0.130 143 1HB ARG 26 1HB ARG 26 103.634 -11.456 -0.909 144 2HB ARG 26 2HB ARG 26 105.109 -11.915 -1.733 145 1HG ARG 26 1HG ARG 26 104.651 -13.846 -0.660 146 2HG ARG 26 2HG ARG 26 105.648 -13.058 0.565 147 1HD ARG 26 1HD ARG 26 103.485 -12.165 1.543 148 2HD ARG 26 2HD ARG 26 102.648 -13.282 0.467 149 HE ARG 26 HE ARG 26 104.586 -14.694 1.930 150 1HH1 ARG 26 1HH1 ARG 26 101.534 -13.066 2.398 151 2HH1 ARG 26 2HH1 ARG 26 101.069 -14.056 3.740 152 1HH2 ARG 26 1HH2 ARG 26 103.976 -15.997 3.695 153 2HH2 ARG 26 2HH2 ARG 26 102.456 -15.720 4.478 154 H THR 27 H THR 27 104.314 -10.278 -2.408 155 HA THR 27 HA THR 27 104.942 -7.461 -2.701 156 HB THR 27 HB THR 27 105.005 -9.518 -4.413 157 HG1 THR 27 HG1 THR 27 104.567 -6.779 -4.945 158 1HG2 THR 27 1HG2 THR 27 102.566 -9.752 -4.450 159 2HG2 THR 27 2HG2 THR 27 103.258 -9.382 -6.031 160 3HG2 THR 27 3HG2 THR 27 102.452 -8.116 -5.104 161 H LYS 28 H LYS 28 102.684 -8.974 -1.128 162 HA LYS 28 HA LYS 28 100.270 -7.793 -2.122 163 1HB LYS 28 1HB LYS 28 100.956 -9.311 0.366 164 2HB LYS 28 2HB LYS 28 99.324 -8.750 0.011 165 1HG LYS 28 1HG LYS 28 99.771 -11.146 -0.566 166 2HG LYS 28 2HG LYS 28 99.161 -10.160 -1.895 167 1HD LYS 28 1HD LYS 28 101.315 -10.024 -2.898 168 2HD LYS 28 2HD LYS 28 102.095 -10.685 -1.464 169 1HE LYS 28 1HE LYS 28 101.953 -12.362 -3.224 170 2HE LYS 28 2HE LYS 28 100.980 -12.827 -1.829 171 1HZ LYS 28 1HZ LYS 28 100.087 -11.890 -4.478 172 2HZ LYS 28 2HZ LYS 28 99.079 -11.716 -3.130 173 3HZ LYS 28 3HZ LYS 28 99.593 -13.255 -3.607 174 H LEU 29 H LEU 29 102.346 -5.936 -1.406 175 HA LEU 29 HA LEU 29 101.957 -4.658 1.059 176 1HB LEU 29 1HB LEU 29 102.427 -2.814 -1.147 177 2HB LEU 29 2HB LEU 29 103.358 -3.047 0.313 178 HG LEU 29 HG LEU 29 103.657 -4.372 -2.365 179 1HD1 LEU 29 1HD1 LEU 29 105.287 -2.912 -2.498 180 2HD1 LEU 29 2HD1 LEU 29 106.110 -3.803 -1.224 181 3HD1 LEU 29 3HD1 LEU 29 105.089 -2.427 -0.815 182 1HD2 LEU 29 1HD2 LEU 29 103.914 -5.664 0.168 183 2HD2 LEU 29 2HD2 LEU 29 105.516 -5.457 -0.536 184 3HD2 LEU 29 3HD2 LEU 29 104.261 -6.301 -1.434 185 HA PRO 30 HA PRO 30 98.206 -2.293 0.962 186 1HB PRO 30 1HB PRO 30 99.830 0.176 0.478 187 2HB PRO 30 2HB PRO 30 98.545 -0.106 1.661 188 1HG PRO 30 1HG PRO 30 101.106 -0.108 2.403 189 2HG PRO 30 2HG PRO 30 99.943 -1.245 3.114 190 1HD PRO 30 1HD PRO 30 102.110 -1.733 1.136 191 2HD PRO 30 2HD PRO 30 101.425 -2.824 2.361 192 HA PRO 31 HA PRO 31 96.983 -1.586 -3.216 193 1HB PRO 31 1HB PRO 31 95.866 0.956 -3.221 194 2HB PRO 31 2HB PRO 31 95.028 -0.532 -2.767 195 1HG PRO 31 1HG PRO 31 96.301 1.537 -1.029 196 2HG PRO 31 2HG PRO 31 94.798 0.629 -0.780 197 1HD PRO 31 1HD PRO 31 97.050 -0.006 0.526 198 2HD PRO 31 2HD PRO 31 95.918 -1.258 -0.027 199 H GLY 32 H GLY 32 98.735 -1.459 -4.535 200 1HA GLY 32 1HA GLY 32 99.773 -0.176 -6.242 201 2HA GLY 32 2HA GLY 32 99.630 1.244 -5.229 202 H VAL 33 H VAL 33 101.076 -1.889 -4.281 203 HA VAL 33 HA VAL 33 103.708 -0.658 -4.434 204 HB VAL 33 HB VAL 33 103.547 -2.137 -2.011 205 1HG1 VAL 33 1HG1 VAL 33 104.385 0.265 -1.284 206 2HG1 VAL 33 2HG1 VAL 33 104.642 0.373 -3.023 207 3HG1 VAL 33 3HG1 VAL 33 105.412 -0.917 -2.098 208 1HG2 VAL 33 1HG2 VAL 33 102.052 -1.059 -0.728 209 2HG2 VAL 33 2HG2 VAL 33 101.222 -0.879 -2.272 210 3HG2 VAL 33 3HG2 VAL 33 102.197 0.445 -1.640 211 H ASP 34 H ASP 34 105.386 -1.879 -4.768 212 HA ASP 34 HA ASP 34 105.150 -4.780 -4.704 213 1HB ASP 34 1HB ASP 34 104.487 -3.969 -7.014 214 2HB ASP 34 2HB ASP 34 106.130 -3.352 -7.184 215 H ARG 35 H ARG 35 107.183 -5.819 -4.518 216 HA ARG 35 HA ARG 35 109.143 -4.415 -3.114 217 1HB ARG 35 1HB ARG 35 110.571 -6.429 -3.490 218 2HB ARG 35 2HB ARG 35 108.968 -6.793 -2.866 219 1HG ARG 35 1HG ARG 35 109.233 -6.829 -5.798 220 2HG ARG 35 2HG ARG 35 110.114 -8.088 -4.923 221 1HD ARG 35 1HD ARG 35 107.743 -8.195 -3.652 222 2HD ARG 35 2HD ARG 35 107.210 -7.669 -5.248 223 HE ARG 35 HE ARG 35 108.245 -10.251 -4.525 224 1HH1 ARG 35 1HH1 ARG 35 107.778 -7.990 -7.143 225 2HH1 ARG 35 2HH1 ARG 35 107.819 -9.211 -8.370 226 1HH2 ARG 35 1HH2 ARG 35 108.299 -11.858 -6.138 227 2HH2 ARG 35 2HH2 ARG 35 108.114 -11.406 -7.801 228 H MET 36 H MET 36 108.596 -4.527 -6.485 229 HA MET 36 HA MET 36 111.063 -4.374 -7.649 230 1HB MET 36 1HB MET 36 108.393 -3.625 -8.344 231 2HB MET 36 2HB MET 36 109.489 -2.356 -8.875 232 1HG MET 36 1HG MET 36 110.754 -4.701 -9.629 233 2HG MET 36 2HG MET 36 109.045 -5.001 -9.957 234 1HE MET 36 1HE MET 36 111.059 -1.650 -9.996 235 2HE MET 36 2HE MET 36 111.413 -1.448 -11.712 236 3HE MET 36 3HE MET 36 112.180 -2.749 -10.801 237 H ARG 37 H ARG 37 109.339 -1.746 -6.000 238 HA ARG 37 HA ARG 37 111.889 -0.329 -5.752 239 1HB ARG 37 1HB ARG 37 110.395 1.824 -6.145 240 2HB ARG 37 2HB ARG 37 111.177 0.989 -7.474 241 1HG ARG 37 1HG ARG 37 108.580 -0.145 -6.964 242 2HG ARG 37 2HG ARG 37 108.468 1.599 -7.199 243 1HD ARG 37 1HD ARG 37 110.240 0.685 -9.166 244 2HD ARG 37 2HD ARG 37 108.921 -0.484 -9.134 245 HE ARG 37 HE ARG 37 107.722 1.993 -9.132 246 1HH1 ARG 37 1HH1 ARG 37 109.901 0.249 -11.228 247 2HH1 ARG 37 2HH1 ARG 37 109.337 1.026 -12.669 248 1HH2 ARG 37 1HH2 ARG 37 106.978 3.014 -11.027 249 2HH2 ARG 37 2HH2 ARG 37 107.676 2.596 -12.555 250 H LEU 38 H LEU 38 110.285 -1.854 -3.875 251 HA LEU 38 HA LEU 38 108.663 -0.407 -2.220 252 1HB LEU 38 1HB LEU 38 110.269 -2.810 -2.044 253 2HB LEU 38 2HB LEU 38 110.155 -1.983 -0.495 254 HG LEU 38 HG LEU 38 107.796 -2.795 -2.200 255 1HD1 LEU 38 1HD1 LEU 38 109.283 -4.128 -0.003 256 2HD1 LEU 38 2HD1 LEU 38 108.431 -4.823 -1.380 257 3HD1 LEU 38 3HD1 LEU 38 107.525 -4.242 0.015 258 1HD2 LEU 38 1HD2 LEU 38 108.137 -1.238 0.302 259 2HD2 LEU 38 2HD2 LEU 38 106.739 -2.304 0.161 260 3HD2 LEU 38 3HD2 LEU 38 106.999 -1.023 -1.024 261 H GLU 39 H GLU 39 112.107 -0.116 -2.598 262 HA GLU 39 HA GLU 39 112.492 1.346 -0.160 263 1HB GLU 39 1HB GLU 39 114.740 1.486 -0.709 264 2HB GLU 39 2HB GLU 39 114.249 -0.036 -1.442 265 1HG GLU 39 1HG GLU 39 114.680 2.599 -2.824 266 2HG GLU 39 2HG GLU 39 115.657 1.140 -2.968 267 H ARG 40 H ARG 40 110.666 2.192 -2.590 268 HA ARG 40 HA ARG 40 111.584 4.990 -2.630 269 1HB ARG 40 1HB ARG 40 111.114 3.252 -4.768 270 2HB ARG 40 2HB ARG 40 109.709 4.307 -4.727 271 1HG ARG 40 1HG ARG 40 111.843 6.038 -4.414 272 2HG ARG 40 2HG ARG 40 112.422 4.852 -5.586 273 1HD ARG 40 1HD ARG 40 111.024 5.576 -7.188 274 2HD ARG 40 2HD ARG 40 109.683 5.776 -6.061 275 HE ARG 40 HE ARG 40 111.358 7.829 -5.456 276 1HH1 ARG 40 1HH1 ARG 40 109.841 6.723 -8.398 277 2HH1 ARG 40 2HH1 ARG 40 109.750 8.307 -9.093 278 1HH2 ARG 40 1HH2 ARG 40 111.239 9.911 -6.367 279 2HH2 ARG 40 2HH2 ARG 40 110.545 10.117 -7.941 280 H HIS 41 H HIS 41 109.196 2.771 -1.753 281 HA HIS 41 HA HIS 41 107.023 4.682 -1.645 282 1HB HIS 41 1HB HIS 41 107.272 1.755 -0.944 283 2HB HIS 41 2HB HIS 41 105.802 2.684 -0.716 284 HD1 HIS 41 HD1 HIS 41 104.840 3.804 -3.029 285 HD2 HIS 41 HD2 HIS 41 107.489 0.626 -3.395 286 HE1 HIS 41 HE1 HIS 41 104.546 2.949 -5.375 287 HE2 HIS 41 HE2 HIS 41 106.225 1.086 -5.603 288 H LEU 42 H LEU 42 109.649 3.989 0.244 289 HA LEU 42 HA LEU 42 108.378 4.153 2.818 290 1HB LEU 42 1HB LEU 42 111.260 4.166 1.934 291 2HB LEU 42 2HB LEU 42 110.750 4.216 3.618 292 HG LEU 42 HG LEU 42 109.566 2.014 2.089 293 1HD1 LEU 42 1HD1 LEU 42 111.357 0.981 1.308 294 2HD1 LEU 42 2HD1 LEU 42 112.263 1.261 2.798 295 3HD1 LEU 42 3HD1 LEU 42 112.231 2.497 1.532 296 1HD2 LEU 42 1HD2 LEU 42 111.178 1.995 4.613 297 2HD2 LEU 42 2HD2 LEU 42 109.973 0.822 4.077 298 3HD2 LEU 42 3HD2 LEU 42 109.475 2.444 4.555 299 H SER 43 H SER 43 108.369 5.886 4.175 300 HA SER 43 HA SER 43 108.539 8.477 2.965 301 1HB SER 43 1HB SER 43 107.599 9.317 4.965 302 2HB SER 43 2HB SER 43 106.874 7.719 4.766 303 HG SER 43 HG SER 43 107.784 7.123 6.557 304 H ALA 44 H ALA 44 109.742 10.280 4.015 305 HA ALA 44 HA ALA 44 112.470 9.880 3.943 306 1HB ALA 44 1HB ALA 44 110.960 12.030 5.427 307 2HB ALA 44 2HB ALA 44 111.493 12.088 3.747 308 3HB ALA 44 3HB ALA 44 112.683 12.076 5.048 309 H GLU 45 H GLU 45 110.268 9.369 6.570 310 HA GLU 45 HA GLU 45 112.334 9.194 8.582 311 1HB GLU 45 1HB GLU 45 109.817 7.878 9.260 312 2HB GLU 45 2HB GLU 45 110.652 9.182 10.081 313 1HG GLU 45 1HG GLU 45 108.756 9.421 7.764 314 2HG GLU 45 2HG GLU 45 108.470 9.914 9.431 315 H ASP 46 H ASP 46 110.100 6.932 7.018 316 HA ASP 46 HA ASP 46 111.118 4.572 8.073 317 1HB ASP 46 1HB ASP 46 109.899 4.982 5.334 318 2HB ASP 46 2HB ASP 46 110.043 3.443 6.184 319 H PHE 47 H PHE 47 111.942 6.184 4.998 320 HA PHE 47 HA PHE 47 113.866 4.359 4.140 321 1HB PHE 47 1HB PHE 47 112.760 6.406 2.950 322 2HB PHE 47 2HB PHE 47 114.142 7.293 3.596 323 HD1 PHE 47 HD1 PHE 47 113.365 4.176 1.716 324 HD2 PHE 47 HD2 PHE 47 116.046 7.418 2.342 325 HE1 PHE 47 HE1 PHE 47 114.750 3.404 -0.176 326 HE2 PHE 47 HE2 PHE 47 117.429 6.653 0.456 327 HZ PHE 47 HZ PHE 47 116.775 4.650 -0.809 328 H SER 48 H SER 48 114.393 7.498 5.748 329 HA SER 48 HA SER 48 117.159 7.120 6.130 330 1HB SER 48 1HB SER 48 116.241 9.346 6.170 331 2HB SER 48 2HB SER 48 115.190 8.942 7.527 332 HG SER 48 HG SER 48 116.869 9.883 8.500 333 H ARG 49 H ARG 49 114.519 5.685 7.709 334 HA ARG 49 HA ARG 49 115.955 5.298 10.215 335 1HB ARG 49 1HB ARG 49 113.569 5.813 10.338 336 2HB ARG 49 2HB ARG 49 113.198 4.398 9.362 337 1HG ARG 49 1HG ARG 49 112.743 3.713 11.532 338 2HG ARG 49 2HG ARG 49 114.353 3.060 11.221 339 1HD ARG 49 1HD ARG 49 115.251 5.180 12.302 340 2HD ARG 49 2HD ARG 49 113.597 5.472 12.852 341 HE ARG 49 HE ARG 49 114.084 2.953 13.698 342 1HH1 ARG 49 1HH1 ARG 49 115.834 5.953 14.046 343 2HH1 ARG 49 2HH1 ARG 49 116.524 5.518 15.574 344 1HH2 ARG 49 1HH2 ARG 49 114.990 2.381 15.708 345 2HH2 ARG 49 2HH2 ARG 49 116.045 3.490 16.516 346 H VAL 50 H VAL 50 114.771 3.427 7.459 347 HA VAL 50 HA VAL 50 115.826 0.953 8.545 348 HB VAL 50 HB VAL 50 114.745 1.377 5.763 349 1HG1 VAL 50 1HG1 VAL 50 116.052 -0.720 6.468 350 2HG1 VAL 50 2HG1 VAL 50 114.503 -0.929 5.650 351 3HG1 VAL 50 3HG1 VAL 50 114.611 -1.126 7.398 352 1HG2 VAL 50 1HG2 VAL 50 113.037 0.278 7.934 353 2HG2 VAL 50 2HG2 VAL 50 112.582 1.114 6.448 354 3HG2 VAL 50 3HG2 VAL 50 113.226 2.027 7.813 355 H PHE 51 H PHE 51 116.722 3.369 6.177 356 HA PHE 51 HA PHE 51 119.037 1.744 5.388 357 1HB PHE 51 1HB PHE 51 117.772 4.142 4.060 358 2HB PHE 51 2HB PHE 51 119.217 3.316 3.479 359 HD1 PHE 51 HD1 PHE 51 116.007 3.711 2.669 360 HD2 PHE 51 HD2 PHE 51 118.663 0.544 3.653 361 HE1 PHE 51 HE1 PHE 51 114.601 2.140 1.386 362 HE2 PHE 51 HE2 PHE 51 117.271 -1.028 2.369 363 HZ PHE 51 HZ PHE 51 115.244 -0.225 1.232 364 H ALA 52 H ALA 52 118.143 4.908 6.664 365 HA ALA 52 HA ALA 52 119.367 6.243 8.097 366 1HB ALA 52 1HB ALA 52 121.913 4.878 7.310 367 2HB ALA 52 2HB ALA 52 120.815 4.175 8.497 368 3HB ALA 52 3HB ALA 52 121.535 5.757 8.791 369 H MET 53 H MET 53 119.445 6.027 4.840 370 HA MET 53 HA MET 53 121.062 8.481 4.599 371 1HB MET 53 1HB MET 53 122.118 7.745 2.754 372 2HB MET 53 2HB MET 53 121.715 6.158 3.398 373 1HG MET 53 1HG MET 53 120.041 7.647 1.391 374 2HG MET 53 2HG MET 53 121.246 6.427 0.984 375 1HE MET 53 1HE MET 53 121.151 3.972 2.057 376 2HE MET 53 2HE MET 53 120.565 4.214 0.409 377 3HE MET 53 3HE MET 53 119.675 3.170 1.519 378 H SER 54 H SER 54 120.468 9.663 2.515 379 HA SER 54 HA SER 54 117.700 10.400 2.738 380 1HB SER 54 1HB SER 54 120.068 11.376 1.159 381 2HB SER 54 2HB SER 54 118.442 11.968 0.794 382 HG SER 54 HG SER 54 118.323 12.904 2.758 383 HA PRO 55 HA PRO 55 115.922 7.945 -0.498 384 1HB PRO 55 1HB PRO 55 114.664 10.471 -1.444 385 2HB PRO 55 2HB PRO 55 113.908 8.927 -1.035 386 1HG PRO 55 1HG PRO 55 113.721 11.027 0.604 387 2HG PRO 55 2HG PRO 55 113.901 9.378 1.236 388 1HD PRO 55 1HD PRO 55 115.917 11.571 1.052 389 2HD PRO 55 2HD PRO 55 115.718 10.319 2.297 390 H GLU 56 H GLU 56 117.582 10.928 -1.095 391 HA GLU 56 HA GLU 56 117.974 10.336 -3.917 392 1HB GLU 56 1HB GLU 56 117.646 12.607 -3.723 393 2HB GLU 56 2HB GLU 56 118.407 12.692 -2.140 394 1HG GLU 56 1HG GLU 56 120.555 12.763 -3.044 395 2HG GLU 56 2HG GLU 56 120.013 12.166 -4.616 396 H GLU 57 H GLU 57 119.442 9.594 -0.969 397 HA GLU 57 HA GLU 57 122.156 9.617 -1.908 398 1HB GLU 57 1HB GLU 57 120.780 9.072 0.648 399 2HB GLU 57 2HB GLU 57 122.170 8.041 0.343 400 1HG GLU 57 1HG GLU 57 123.513 10.094 -0.077 401 2HG GLU 57 2HG GLU 57 122.118 11.041 0.437 402 H PHE 58 H PHE 58 119.683 7.141 -1.197 403 HA PHE 58 HA PHE 58 121.027 4.807 -1.729 404 1HB PHE 58 1HB PHE 58 118.456 5.422 -1.278 405 2HB PHE 58 2HB PHE 58 118.351 5.144 -3.015 406 HD1 PHE 58 HD1 PHE 58 118.283 3.664 0.181 407 HD2 PHE 58 HD2 PHE 58 119.310 2.893 -3.871 408 HE1 PHE 58 HE1 PHE 58 118.099 1.247 0.602 409 HE2 PHE 58 HE2 PHE 58 119.119 0.474 -3.461 410 HZ PHE 58 HZ PHE 58 118.517 -0.355 -1.220 411 H GLY 59 H GLY 59 119.319 6.766 -4.191 412 1HA GLY 59 1HA GLY 59 120.156 5.281 -6.414 413 2HA GLY 59 2HA GLY 59 119.653 6.965 -6.454 414 H LYS 60 H LYS 60 121.828 7.662 -4.523 415 HA LYS 60 HA LYS 60 123.940 7.922 -6.521 416 1HB LYS 60 1HB LYS 60 123.129 9.424 -4.090 417 2HB LYS 60 2HB LYS 60 124.844 9.421 -4.492 418 1HG LYS 60 1HG LYS 60 123.900 11.351 -5.480 419 2HG LYS 60 2HG LYS 60 124.209 10.204 -6.788 420 1HD LYS 60 1HD LYS 60 121.591 9.716 -5.799 421 2HD LYS 60 2HD LYS 60 121.758 11.454 -6.053 422 1HE LYS 60 1HE LYS 60 122.899 10.527 -8.312 423 2HE LYS 60 2HE LYS 60 121.735 9.240 -8.002 424 1HZ LYS 60 1HZ LYS 60 120.866 12.048 -7.885 425 2HZ LYS 60 2HZ LYS 60 119.964 10.663 -8.246 426 3HZ LYS 60 3HZ LYS 60 121.041 11.292 -9.389 427 H LEU 61 H LEU 61 123.218 5.683 -4.268 428 HA LEU 61 HA LEU 61 125.775 5.422 -3.008 429 1HB LEU 61 1HB LEU 61 123.308 3.676 -3.055 430 2HB LEU 61 2HB LEU 61 124.722 3.337 -2.084 431 HG LEU 61 HG LEU 61 122.791 5.598 -1.772 432 1HD1 LEU 61 1HD1 LEU 61 122.168 3.505 -0.749 433 2HD1 LEU 61 2HD1 LEU 61 122.592 4.694 0.485 434 3HD1 LEU 61 3HD1 LEU 61 123.731 3.415 0.063 435 1HD2 LEU 61 1HD2 LEU 61 125.601 5.350 -0.817 436 2HD2 LEU 61 2HD2 LEU 61 124.399 6.107 0.227 437 3HD2 LEU 61 3HD2 LEU 61 124.724 6.777 -1.372 438 H ALA 62 H ALA 62 125.514 2.408 -3.317 439 HA ALA 62 HA ALA 62 126.571 2.171 -6.046 440 1HB ALA 62 1HB ALA 62 127.683 0.633 -3.721 441 2HB ALA 62 2HB ALA 62 128.332 2.191 -4.228 442 3HB ALA 62 3HB ALA 62 128.363 0.820 -5.336 443 H LEU 63 H LEU 63 126.703 -0.177 -6.751 444 HA LEU 63 HA LEU 63 124.114 -1.319 -6.599 445 1HB LEU 63 1HB LEU 63 125.823 -1.451 -8.494 446 2HB LEU 63 2HB LEU 63 126.579 -2.736 -7.570 447 HG LEU 63 HG LEU 63 123.748 -3.229 -7.849 448 1HD1 LEU 63 1HD1 LEU 63 123.687 -3.624 -10.248 449 2HD1 LEU 63 2HD1 LEU 63 125.304 -2.940 -10.414 450 3HD1 LEU 63 3HD1 LEU 63 123.963 -1.918 -9.898 451 1HD2 LEU 63 1HD2 LEU 63 125.938 -4.701 -7.442 452 2HD2 LEU 63 2HD2 LEU 63 125.782 -4.908 -9.187 453 3HD2 LEU 63 3HD2 LEU 63 124.451 -5.365 -8.122 454 H TRP 64 H TRP 64 127.056 -1.868 -4.822 455 HA TRP 64 HA TRP 64 126.144 -4.363 -3.697 456 1HB TRP 64 1HB TRP 64 128.279 -4.092 -2.367 457 2HB TRP 64 2HB TRP 64 128.499 -4.154 -4.122 458 HD1 TRP 64 HD1 TRP 64 129.568 -2.048 -5.249 459 HE1 TRP 64 HE1 TRP 64 130.429 0.203 -4.361 460 HE3 TRP 64 HE3 TRP 64 127.689 -2.339 -0.632 461 HZ2 TRP 64 HZ2 TRP 64 130.312 1.658 -1.895 462 HZ3 TRP 64 HZ3 TRP 64 128.100 -0.481 0.970 463 HH2 TRP 64 HH2 TRP 64 129.371 1.470 0.334 464 H LYS 65 H LYS 65 126.389 -0.984 -2.996 465 HA LYS 65 HA LYS 65 125.692 -1.147 -0.229 466 1HB LYS 65 1HB LYS 65 126.740 0.827 -1.682 467 2HB LYS 65 2HB LYS 65 125.044 1.287 -1.823 468 1HG LYS 65 1HG LYS 65 124.822 1.596 0.494 469 2HG LYS 65 2HG LYS 65 126.338 0.750 0.832 470 1HD LYS 65 1HD LYS 65 127.625 2.534 -0.083 471 2HD LYS 65 2HD LYS 65 126.182 3.323 -0.729 472 1HE LYS 65 1HE LYS 65 126.238 4.554 1.139 473 2HE LYS 65 2HE LYS 65 125.591 3.115 1.938 474 1HZ LYS 65 1HZ LYS 65 128.189 2.573 1.991 475 2HZ LYS 65 2HZ LYS 65 127.395 3.409 3.229 476 3HZ LYS 65 3HZ LYS 65 128.260 4.263 2.054 477 H ARG 66 H ARG 66 123.853 0.070 -3.037 478 HA ARG 66 HA ARG 66 121.354 0.309 -1.962 479 1HB ARG 66 1HB ARG 66 122.122 -0.769 -4.678 480 2HB ARG 66 2HB ARG 66 120.490 -0.291 -4.243 481 1HG ARG 66 1HG ARG 66 121.296 1.983 -3.802 482 2HG ARG 66 2HG ARG 66 122.912 1.481 -4.302 483 1HD ARG 66 1HD ARG 66 120.661 0.966 -6.170 484 2HD ARG 66 2HD ARG 66 121.202 2.639 -5.976 485 HE ARG 66 HE ARG 66 123.509 1.314 -6.405 486 1HH1 ARG 66 1HH1 ARG 66 120.462 1.351 -8.106 487 2HH1 ARG 66 2HH1 ARG 66 121.178 1.025 -9.649 488 1HH2 ARG 66 1HH2 ARG 66 124.451 0.885 -8.433 489 2HH2 ARG 66 2HH2 ARG 66 123.442 0.760 -9.834 490 H ASN 67 H ASN 67 122.886 -2.595 -3.204 491 HA ASN 67 HA ASN 67 120.733 -4.368 -2.849 492 1HB ASN 67 1HB ASN 67 123.637 -4.592 -3.296 493 2HB ASN 67 2HB ASN 67 122.922 -5.966 -2.450 494 1HD2 ASN 67 1HD2 ASN 67 122.609 -3.946 -5.326 495 2HD2 ASN 67 2HD2 ASN 67 121.928 -5.173 -6.334 496 H GLU 68 H GLU 68 123.642 -4.212 -0.802 497 HA GLU 68 HA GLU 68 122.832 -5.696 1.317 498 1HB GLU 68 1HB GLU 68 124.478 -3.165 1.393 499 2HB GLU 68 2HB GLU 68 124.361 -4.316 2.717 500 1HG GLU 68 1HG GLU 68 125.568 -5.935 1.592 501 2HG GLU 68 2HG GLU 68 125.242 -5.223 0.012 502 H LEU 69 H LEU 69 122.007 -2.311 0.705 503 HA LEU 69 HA LEU 69 120.771 -1.813 3.189 504 1HB LEU 69 1HB LEU 69 120.003 -0.577 0.556 505 2HB LEU 69 2HB LEU 69 119.767 0.091 2.158 506 HG LEU 69 HG LEU 69 122.508 -0.489 1.242 507 1HD1 LEU 69 1HD1 LEU 69 121.738 2.234 0.731 508 2HD1 LEU 69 2HD1 LEU 69 120.803 1.106 -0.247 509 3HD1 LEU 69 3HD1 LEU 69 122.566 1.086 -0.320 510 1HD2 LEU 69 1HD2 LEU 69 123.148 0.865 2.939 511 2HD2 LEU 69 2HD2 LEU 69 121.573 0.397 3.580 512 3HD2 LEU 69 3HD2 LEU 69 121.763 1.937 2.743 513 H LYS 70 H LYS 70 119.249 -2.366 0.048 514 HA LYS 70 HA LYS 70 116.651 -2.872 1.022 515 1HB LYS 70 1HB LYS 70 118.120 -3.399 -1.513 516 2HB LYS 70 2HB LYS 70 116.631 -4.291 -1.241 517 1HG LYS 70 1HG LYS 70 115.356 -2.293 -1.110 518 2HG LYS 70 2HG LYS 70 116.813 -1.296 -1.051 519 1HD LYS 70 1HD LYS 70 115.867 -1.180 -3.264 520 2HD LYS 70 2HD LYS 70 117.383 -2.082 -3.333 521 1HE LYS 70 1HE LYS 70 115.699 -3.183 -4.683 522 2HE LYS 70 2HE LYS 70 116.112 -4.186 -3.292 523 1HZ LYS 70 1HZ LYS 70 113.718 -4.099 -3.692 524 2HZ LYS 70 2HZ LYS 70 113.730 -2.421 -3.478 525 3HZ LYS 70 3HZ LYS 70 114.114 -3.440 -2.184 526 H LYS 71 H LYS 71 119.514 -4.758 1.000 527 HA LYS 71 HA LYS 71 118.179 -7.301 1.308 528 1HB LYS 71 1HB LYS 71 121.056 -6.399 1.252 529 2HB LYS 71 2HB LYS 71 120.617 -8.050 1.698 530 1HG LYS 71 1HG LYS 71 119.702 -8.480 -0.433 531 2HG LYS 71 2HG LYS 71 119.719 -6.767 -0.862 532 1HD LYS 71 1HD LYS 71 121.546 -7.743 -2.006 533 2HD LYS 71 2HD LYS 71 122.241 -6.878 -0.635 534 1HE LYS 71 1HE LYS 71 121.543 -9.781 -0.411 535 2HE LYS 71 2HE LYS 71 123.056 -9.280 -1.166 536 1HZ LYS 71 1HZ LYS 71 122.258 -9.192 1.623 537 2HZ LYS 71 2HZ LYS 71 123.120 -7.845 1.072 538 3HZ LYS 71 3HZ LYS 71 123.794 -9.390 0.941 539 H LYS 72 H LYS 72 119.611 -4.858 3.331 540 HA LYS 72 HA LYS 72 119.398 -6.556 5.687 541 1HB LYS 72 1HB LYS 72 120.657 -4.879 6.861 542 2HB LYS 72 2HB LYS 72 121.466 -5.194 5.333 543 1HG LYS 72 1HG LYS 72 121.339 -3.058 4.771 544 2HG LYS 72 2HG LYS 72 119.586 -3.063 4.992 545 1HD LYS 72 1HD LYS 72 121.346 -2.937 7.397 546 2HD LYS 72 2HD LYS 72 121.125 -1.481 6.423 547 1HE LYS 72 1HE LYS 72 118.815 -1.432 6.820 548 2HE LYS 72 2HE LYS 72 118.789 -3.103 7.380 549 1HZ LYS 72 1HZ LYS 72 118.624 -1.314 9.134 550 2HZ LYS 72 2HZ LYS 72 120.255 -0.981 8.831 551 3HZ LYS 72 3HZ LYS 72 119.794 -2.508 9.395 552 H ALA 73 H ALA 73 117.827 -4.078 3.981 553 HA ALA 73 HA ALA 73 116.263 -3.054 6.168 554 1HB ALA 73 1HB ALA 73 116.503 -2.544 3.253 555 2HB ALA 73 2HB ALA 73 116.578 -1.413 4.604 556 3HB ALA 73 3HB ALA 73 115.020 -2.045 4.067 557 H GLU 74 H GLU 74 116.188 -5.952 4.706 558 HA GLU 74 HA GLU 74 114.629 -7.610 4.617 559 1HB GLU 74 1HB GLU 74 112.655 -5.649 5.790 560 2HB GLU 74 2HB GLU 74 112.568 -7.402 5.831 561 1HG GLU 74 1HG GLU 74 114.843 -5.950 7.117 562 2HG GLU 74 2HG GLU 74 113.298 -6.140 7.945 563 H LEU 75 H LEU 75 114.802 -5.134 2.683 564 HA LEU 75 HA LEU 75 112.558 -6.033 1.062 565 1HB LEU 75 1HB LEU 75 112.732 -3.367 0.383 566 2HB LEU 75 2HB LEU 75 111.463 -4.121 1.337 567 HG LEU 75 HG LEU 75 113.513 -3.529 3.136 568 1HD1 LEU 75 1HD1 LEU 75 113.205 -1.414 1.046 569 2HD1 LEU 75 2HD1 LEU 75 114.675 -2.023 1.809 570 3HD1 LEU 75 3HD1 LEU 75 113.574 -0.987 2.721 571 1HD2 LEU 75 1HD2 LEU 75 111.759 -1.586 3.614 572 2HD2 LEU 75 2HD2 LEU 75 111.430 -3.275 4.001 573 3HD2 LEU 75 3HD2 LEU 75 110.784 -2.567 2.519 574 H PHE 76 H PHE 76 114.466 -7.249 0.190 575 HA PHE 76 HA PHE 76 115.618 -5.681 -2.020 576 1HB PHE 76 1HB PHE 76 117.601 -6.042 -0.957 577 2HB PHE 76 2HB PHE 76 116.990 -7.437 -0.066 578 HD1 PHE 76 HD1 PHE 76 117.192 -9.659 -0.967 579 HD2 PHE 76 HD2 PHE 76 118.525 -6.282 -3.187 580 HE1 PHE 76 HE1 PHE 76 118.409 -11.151 -2.499 581 HE2 PHE 76 HE2 PHE 76 119.744 -7.768 -4.722 582 HZ PHE 76 HZ PHE 76 119.687 -10.205 -4.380 Start of MODEL 14 1 HT1 PRO 9 HT1 PRO 9 101.702 13.778 -9.464 2 HT2 PRO 9 HT2 PRO 9 103.028 14.372 -8.692 3 HA PRO 9 HA PRO 9 102.723 12.246 -10.440 4 1HB PRO 9 1HB PRO 9 105.375 13.126 -10.929 5 2HB PRO 9 2HB PRO 9 104.068 12.932 -12.104 6 1HG PRO 9 1HG PRO 9 104.975 15.368 -10.670 7 2HG PRO 9 2HG PRO 9 104.259 15.211 -12.284 8 1HD PRO 9 1HD PRO 9 102.833 16.194 -10.256 9 2HD PRO 9 2HD PRO 9 102.084 15.111 -11.445 10 H GLY 10 H GLY 10 102.936 10.825 -8.811 11 1HA GLY 10 1HA GLY 10 105.444 10.397 -7.575 12 2HA GLY 10 2HA GLY 10 104.362 11.187 -6.440 13 H LEU 11 H LEU 11 105.075 8.977 -5.479 14 HA LEU 11 HA LEU 11 103.013 7.005 -6.192 15 1HB LEU 11 1HB LEU 11 104.740 5.471 -4.890 16 2HB LEU 11 2HB LEU 11 104.830 5.739 -6.620 17 HG LEU 11 HG LEU 11 106.422 7.735 -5.820 18 1HD1 LEU 11 1HD1 LEU 11 107.330 5.735 -3.856 19 2HD1 LEU 11 2HD1 LEU 11 105.910 6.677 -3.403 20 3HD1 LEU 11 3HD1 LEU 11 107.418 7.496 -3.811 21 1HD2 LEU 11 1HD2 LEU 11 108.147 6.482 -6.643 22 2HD2 LEU 11 2HD2 LEU 11 106.770 5.559 -7.246 23 3HD2 LEU 11 3HD2 LEU 11 107.629 5.019 -5.803 24 H GLN 12 H GLN 12 102.347 5.599 -4.368 25 HA GLN 12 HA GLN 12 101.623 7.229 -2.117 26 1HB GLN 12 1HB GLN 12 100.688 4.870 -1.346 27 2HB GLN 12 2HB GLN 12 99.869 5.831 -2.568 28 1HG GLN 12 1HG GLN 12 101.912 3.896 -3.499 29 2HG GLN 12 2HG GLN 12 100.393 3.249 -2.885 30 1HE2 GLN 12 1HE2 GLN 12 101.023 2.789 -5.454 31 2HE2 GLN 12 2HE2 GLN 12 100.023 3.724 -6.507 32 H ILE 13 H ILE 13 102.253 7.022 0.016 33 HA ILE 13 HA ILE 13 104.592 5.296 0.488 34 HB ILE 13 HB ILE 13 104.064 7.987 1.751 35 1HG1 ILE 13 1HG1 ILE 13 105.628 7.138 -0.657 36 2HG1 ILE 13 2HG1 ILE 13 104.631 8.572 -0.421 37 1HG2 ILE 13 1HG2 ILE 13 105.363 6.253 3.056 38 2HG2 ILE 13 2HG2 ILE 13 106.180 7.792 2.776 39 3HG2 ILE 13 3HG2 ILE 13 106.603 6.380 1.808 40 1HD1 ILE 13 1HD1 ILE 13 106.606 9.047 1.354 41 2HD1 ILE 13 2HD1 ILE 13 106.617 9.605 -0.320 42 3HD1 ILE 13 3HD1 ILE 13 107.480 8.131 0.126 43 H TYR 14 H TYR 14 104.206 3.744 1.882 44 HA TYR 14 HA TYR 14 102.281 4.203 4.072 45 1HB TYR 14 1HB TYR 14 102.929 1.508 2.872 46 2HB TYR 14 2HB TYR 14 101.592 1.926 3.938 47 HD1 TYR 14 HD1 TYR 14 99.591 2.947 3.088 48 HD2 TYR 14 HD2 TYR 14 102.857 2.102 0.495 49 HE1 TYR 14 HE1 TYR 14 98.127 3.297 1.145 50 HE2 TYR 14 HE2 TYR 14 101.403 2.449 -1.455 51 HH TYR 14 HH TYR 14 98.464 3.962 -1.315 52 HA PRO 15 HA PRO 15 105.123 3.050 7.265 53 1HB PRO 15 1HB PRO 15 103.820 0.370 7.530 54 2HB PRO 15 2HB PRO 15 104.222 1.556 8.782 55 1HG PRO 15 1HG PRO 15 101.715 1.293 7.954 56 2HG PRO 15 2HG PRO 15 102.391 2.901 8.279 57 1HD PRO 15 1HD PRO 15 101.859 1.557 5.670 58 2HD PRO 15 2HD PRO 15 101.709 3.273 6.106 59 H TYR 16 H TYR 16 106.837 1.427 7.873 60 HA TYR 16 HA TYR 16 108.040 0.421 5.452 61 1HB TYR 16 1HB TYR 16 109.616 1.494 6.751 62 2HB TYR 16 2HB TYR 16 108.932 0.899 8.261 63 HD1 TYR 16 HD1 TYR 16 110.791 -0.248 5.244 64 HD2 TYR 16 HD2 TYR 16 109.917 -0.866 9.353 65 HE1 TYR 16 HE1 TYR 16 112.519 -1.994 5.325 66 HE2 TYR 16 HE2 TYR 16 111.645 -2.618 9.467 67 HH TYR 16 HH TYR 16 113.039 -4.005 6.750 68 H GLU 17 H GLU 17 107.536 -1.042 8.683 69 HA GLU 17 HA GLU 17 108.083 -3.658 8.108 70 1HB GLU 17 1HB GLU 17 106.305 -2.301 10.051 71 2HB GLU 17 2HB GLU 17 106.015 -4.017 9.807 72 1HG GLU 17 1HG GLU 17 108.820 -3.578 10.094 73 2HG GLU 17 2HG GLU 17 107.966 -2.783 11.420 74 H MET 18 H MET 18 104.972 -2.016 7.581 75 HA MET 18 HA MET 18 103.644 -4.329 6.594 76 1HB MET 18 1HB MET 18 103.080 -1.382 6.510 77 2HB MET 18 2HB MET 18 102.099 -2.496 5.566 78 1HG MET 18 1HG MET 18 102.534 -2.896 8.502 79 2HG MET 18 2HG MET 18 101.273 -1.823 7.886 80 1HE MET 18 1HE MET 18 101.546 -6.146 8.403 81 2HE MET 18 2HE MET 18 100.516 -5.241 9.511 82 3HE MET 18 3HE MET 18 102.187 -4.740 9.252 83 H LEU 19 H LEU 19 105.711 -1.922 5.198 84 HA LEU 19 HA LEU 19 105.113 -2.729 2.470 85 1HB LEU 19 1HB LEU 19 106.800 -0.598 3.725 86 2HB LEU 19 2HB LEU 19 106.976 -0.994 2.024 87 HG LEU 19 HG LEU 19 104.433 -0.048 3.344 88 1HD1 LEU 19 1HD1 LEU 19 106.051 1.480 1.345 89 2HD1 LEU 19 2HD1 LEU 19 106.418 1.572 3.067 90 3HD1 LEU 19 3HD1 LEU 19 104.831 2.062 2.476 91 1HD2 LEU 19 1HD2 LEU 19 103.365 -0.654 1.503 92 2HD2 LEU 19 2HD2 LEU 19 104.831 -1.475 0.967 93 3HD2 LEU 19 3HD2 LEU 19 104.531 0.198 0.493 94 H VAL 20 H VAL 20 106.824 -4.208 4.757 95 HA VAL 20 HA VAL 20 109.385 -4.517 3.570 96 HB VAL 20 HB VAL 20 108.022 -6.488 5.410 97 1HG1 VAL 20 1HG1 VAL 20 110.403 -6.840 6.142 98 2HG1 VAL 20 2HG1 VAL 20 110.889 -5.903 4.729 99 3HG1 VAL 20 3HG1 VAL 20 110.014 -7.424 4.522 100 1HG2 VAL 20 1HG2 VAL 20 108.167 -3.987 6.116 101 2HG2 VAL 20 2HG2 VAL 20 109.867 -4.367 6.378 102 3HG2 VAL 20 3HG2 VAL 20 108.619 -5.262 7.244 103 H VAL 21 H VAL 21 110.207 -6.236 2.307 104 HA VAL 21 HA VAL 21 108.356 -7.206 0.367 105 HB VAL 21 HB VAL 21 111.258 -7.947 0.735 106 1HG1 VAL 21 1HG1 VAL 21 110.535 -9.526 -0.751 107 2HG1 VAL 21 2HG1 VAL 21 110.920 -8.212 -1.863 108 3HG1 VAL 21 3HG1 VAL 21 109.247 -8.502 -1.387 109 1HG2 VAL 21 1HG2 VAL 21 110.144 -5.884 -1.144 110 2HG2 VAL 21 2HG2 VAL 21 111.829 -6.182 -0.719 111 3HG2 VAL 21 3HG2 VAL 21 110.730 -5.487 0.472 112 H THR 22 H THR 22 110.695 -9.119 2.281 113 HA THR 22 HA THR 22 108.817 -11.370 2.114 114 HB THR 22 HB THR 22 111.794 -11.298 2.605 115 HG1 THR 22 HG1 THR 22 111.844 -12.336 0.592 116 1HG2 THR 22 1HG2 THR 22 111.298 -13.875 2.043 117 2HG2 THR 22 2HG2 THR 22 109.859 -13.479 2.984 118 3HG2 THR 22 3HG2 THR 22 111.461 -13.240 3.681 119 H ASN 23 H ASN 23 111.346 -10.434 4.384 120 HA ASN 23 HA ASN 23 110.860 -11.674 6.620 121 1HB ASN 23 1HB ASN 23 111.193 -8.674 6.518 122 2HB ASN 23 2HB ASN 23 111.528 -9.697 7.914 123 1HD2 ASN 23 1HD2 ASN 23 112.521 -8.876 4.658 124 2HD2 ASN 23 2HD2 ASN 23 114.121 -9.516 4.779 125 H LYS 24 H LYS 24 108.840 -8.829 5.786 126 HA LYS 24 HA LYS 24 106.921 -9.802 7.801 127 1HB LYS 24 1HB LYS 24 107.947 -7.112 7.198 128 2HB LYS 24 2HB LYS 24 106.207 -7.201 7.464 129 1HG LYS 24 1HG LYS 24 107.395 -6.688 9.521 130 2HG LYS 24 2HG LYS 24 106.581 -8.249 9.629 131 1HD LYS 24 1HD LYS 24 108.876 -8.264 10.575 132 2HD LYS 24 2HD LYS 24 108.652 -9.416 9.258 133 1HE LYS 24 1HE LYS 24 110.785 -8.247 9.054 134 2HE LYS 24 2HE LYS 24 109.717 -7.860 7.707 135 1HZ LYS 24 1HZ LYS 24 109.083 -5.833 9.094 136 2HZ LYS 24 2HZ LYS 24 110.600 -5.825 8.349 137 3HZ LYS 24 3HZ LYS 24 110.473 -6.162 10.001 138 H GLY 25 H GLY 25 107.032 -10.518 4.898 139 1HA GLY 25 1HA GLY 25 104.436 -10.826 4.278 140 2HA GLY 25 2HA GLY 25 104.714 -9.165 3.784 141 H ARG 26 H ARG 26 104.243 -9.674 1.636 142 HA ARG 26 HA ARG 26 106.487 -10.875 0.199 143 1HB ARG 26 1HB ARG 26 104.693 -11.968 -1.330 144 2HB ARG 26 2HB ARG 26 105.103 -12.745 0.187 145 1HG ARG 26 1HG ARG 26 102.921 -10.846 0.460 146 2HG ARG 26 2HG ARG 26 102.575 -12.137 -0.691 147 1HD ARG 26 1HD ARG 26 103.595 -12.583 2.109 148 2HD ARG 26 2HD ARG 26 101.895 -12.656 1.647 149 HE ARG 26 HE ARG 26 103.050 -14.403 -0.051 150 1HH1 ARG 26 1HH1 ARG 26 103.204 -14.031 3.415 151 2HH1 ARG 26 2HH1 ARG 26 103.459 -15.717 3.711 152 1HH2 ARG 26 1HH2 ARG 26 103.385 -16.622 0.335 153 2HH2 ARG 26 2HH2 ARG 26 103.563 -17.188 1.962 154 H THR 27 H THR 27 104.737 -10.684 -2.312 155 HA THR 27 HA THR 27 105.336 -7.911 -2.849 156 HB THR 27 HB THR 27 104.815 -10.356 -4.400 157 HG1 THR 27 HG1 THR 27 106.337 -8.055 -5.021 158 1HG2 THR 27 1HG2 THR 27 102.992 -9.033 -5.304 159 2HG2 THR 27 2HG2 THR 27 104.291 -9.220 -6.482 160 3HG2 THR 27 3HG2 THR 27 104.101 -7.696 -5.612 161 H LYS 28 H LYS 28 102.892 -9.173 -1.284 162 HA LYS 28 HA LYS 28 100.695 -7.887 -2.665 163 1HB LYS 28 1HB LYS 28 100.904 -9.584 -0.215 164 2HB LYS 28 2HB LYS 28 99.381 -8.885 -0.755 165 1HG LYS 28 1HG LYS 28 99.790 -11.290 -1.407 166 2HG LYS 28 2HG LYS 28 99.359 -10.194 -2.720 167 1HD LYS 28 1HD LYS 28 101.576 -10.128 -3.529 168 2HD LYS 28 2HD LYS 28 102.221 -10.841 -2.051 169 1HE LYS 28 1HE LYS 28 102.211 -12.746 -3.243 170 2HE LYS 28 2HE LYS 28 100.495 -12.774 -2.837 171 1HZ LYS 28 1HZ LYS 28 99.901 -12.281 -4.936 172 2HZ LYS 28 2HZ LYS 28 101.417 -12.924 -5.323 173 3HZ LYS 28 3HZ LYS 28 101.216 -11.249 -5.201 174 H LEU 29 H LEU 29 102.677 -6.159 -1.641 175 HA LEU 29 HA LEU 29 102.090 -5.049 0.876 176 1HB LEU 29 1HB LEU 29 102.778 -3.002 -1.066 177 2HB LEU 29 2HB LEU 29 103.578 -3.424 0.420 178 HG LEU 29 HG LEU 29 104.149 -4.321 -2.378 179 1HD1 LEU 29 1HD1 LEU 29 105.319 -2.587 -0.555 180 2HD1 LEU 29 2HD1 LEU 29 106.012 -3.182 -2.064 181 3HD1 LEU 29 3HD1 LEU 29 106.353 -4.012 -0.549 182 1HD2 LEU 29 1HD2 LEU 29 105.762 -5.831 -0.634 183 2HD2 LEU 29 2HD2 LEU 29 104.557 -6.427 -1.772 184 3HD2 LEU 29 3HD2 LEU 29 104.103 -6.079 -0.104 185 HA PRO 30 HA PRO 30 98.374 -2.626 0.652 186 1HB PRO 30 1HB PRO 30 100.066 -0.179 0.276 187 2HB PRO 30 2HB PRO 30 98.680 -0.429 1.349 188 1HG PRO 30 1HG PRO 30 101.176 -0.495 2.296 189 2HG PRO 30 2HG PRO 30 99.928 -1.597 2.911 190 1HD PRO 30 1HD PRO 30 102.253 -2.161 1.159 191 2HD PRO 30 2HD PRO 30 101.385 -3.239 2.272 192 HA PRO 31 HA PRO 31 97.367 -1.950 -3.585 193 1HB PRO 31 1HB PRO 31 96.094 0.516 -3.602 194 2HB PRO 31 2HB PRO 31 95.328 -1.030 -3.215 195 1HG PRO 31 1HG PRO 31 96.387 1.077 -1.379 196 2HG PRO 31 2HG PRO 31 94.926 0.082 -1.226 197 1HD PRO 31 1HD PRO 31 97.138 -0.456 0.189 198 2HD PRO 31 2HD PRO 31 96.112 -1.757 -0.449 199 H GLY 32 H GLY 32 99.187 -1.680 -4.801 200 1HA GLY 32 1HA GLY 32 100.210 -0.255 -6.419 201 2HA GLY 32 2HA GLY 32 99.968 1.100 -5.337 202 H VAL 33 H VAL 33 101.562 -2.056 -4.679 203 HA VAL 33 HA VAL 33 104.097 -0.634 -4.482 204 HB VAL 33 HB VAL 33 103.797 -2.547 -2.354 205 1HG1 VAL 33 1HG1 VAL 33 105.743 -1.136 -2.660 206 2HG1 VAL 33 2HG1 VAL 33 104.968 -0.832 -1.109 207 3HG1 VAL 33 3HG1 VAL 33 104.737 0.294 -2.444 208 1HG2 VAL 33 1HG2 VAL 33 101.659 -1.804 -1.938 209 2HG2 VAL 33 2HG2 VAL 33 102.014 -0.162 -2.472 210 3HG2 VAL 33 3HG2 VAL 33 102.633 -0.746 -0.926 211 H ASP 34 H ASP 34 105.881 -1.689 -4.954 212 HA ASP 34 HA ASP 34 105.839 -4.579 -5.304 213 1HB ASP 34 1HB ASP 34 105.205 -3.417 -7.501 214 2HB ASP 34 2HB ASP 34 106.861 -2.809 -7.526 215 H ARG 35 H ARG 35 107.659 -5.417 -4.491 216 HA ARG 35 HA ARG 35 109.588 -4.048 -3.143 217 1HB ARG 35 1HB ARG 35 110.966 -6.043 -3.235 218 2HB ARG 35 2HB ARG 35 109.277 -6.484 -3.025 219 1HG ARG 35 1HG ARG 35 110.470 -6.410 -5.762 220 2HG ARG 35 2HG ARG 35 110.753 -7.795 -4.700 221 1HD ARG 35 1HD ARG 35 108.233 -7.882 -4.399 222 2HD ARG 35 2HD ARG 35 108.134 -6.751 -5.747 223 HE ARG 35 HE ARG 35 108.679 -8.455 -7.187 224 1HH1 ARG 35 1HH1 ARG 35 109.260 -9.491 -3.904 225 2HH1 ARG 35 2HH1 ARG 35 109.533 -11.143 -4.342 226 1HH2 ARG 35 1HH2 ARG 35 109.039 -10.630 -7.763 227 2HH2 ARG 35 2HH2 ARG 35 109.408 -11.790 -6.531 228 H MET 36 H MET 36 109.374 -4.387 -6.583 229 HA MET 36 HA MET 36 111.947 -4.132 -7.464 230 1HB MET 36 1HB MET 36 109.387 -2.938 -8.491 231 2HB MET 36 2HB MET 36 110.912 -2.677 -9.324 232 1HG MET 36 1HG MET 36 111.130 -4.912 -9.901 233 2HG MET 36 2HG MET 36 109.997 -5.443 -8.655 234 1HE MET 36 1HE MET 36 109.371 -6.935 -11.063 235 2HE MET 36 2HE MET 36 110.314 -5.841 -12.074 236 3HE MET 36 3HE MET 36 108.615 -6.139 -12.443 237 H ARG 37 H ARG 37 109.902 -1.585 -6.113 238 HA ARG 37 HA ARG 37 112.299 0.083 -5.841 239 1HB ARG 37 1HB ARG 37 110.433 2.005 -6.288 240 2HB ARG 37 2HB ARG 37 111.531 1.388 -7.511 241 1HG ARG 37 1HG ARG 37 108.989 -0.075 -7.158 242 2HG ARG 37 2HG ARG 37 108.889 1.543 -7.855 243 1HD ARG 37 1HD ARG 37 110.483 0.918 -9.581 244 2HD ARG 37 2HD ARG 37 110.659 -0.682 -8.864 245 HE ARG 37 HE ARG 37 107.946 -0.149 -9.496 246 1HH1 ARG 37 1HH1 ARG 37 110.999 -1.005 -10.954 247 2HH1 ARG 37 2HH1 ARG 37 110.271 -1.814 -12.300 248 1HH2 ARG 37 1HH2 ARG 37 106.987 -1.212 -11.266 249 2HH2 ARG 37 2HH2 ARG 37 107.994 -1.931 -12.478 250 H LEU 38 H LEU 38 110.633 -1.581 -4.014 251 HA LEU 38 HA LEU 38 108.932 -0.219 -2.391 252 1HB LEU 38 1HB LEU 38 110.641 -2.539 -2.189 253 2HB LEU 38 2HB LEU 38 110.493 -1.717 -0.639 254 HG LEU 38 HG LEU 38 108.186 -2.652 -2.343 255 1HD1 LEU 38 1HD1 LEU 38 109.811 -3.941 -0.291 256 2HD1 LEU 38 2HD1 LEU 38 108.710 -4.640 -1.478 257 3HD1 LEU 38 3HD1 LEU 38 108.081 -3.992 0.033 258 1HD2 LEU 38 1HD2 LEU 38 107.125 -1.053 -1.200 259 2HD2 LEU 38 2HD2 LEU 38 108.424 -0.887 -0.022 260 3HD2 LEU 38 3HD2 LEU 38 107.230 -2.172 0.158 261 H GLU 39 H GLU 39 112.426 0.111 -2.530 262 HA GLU 39 HA GLU 39 112.678 1.566 -0.105 263 1HB GLU 39 1HB GLU 39 114.910 1.809 -0.613 264 2HB GLU 39 2HB GLU 39 114.499 0.358 -1.516 265 1HG GLU 39 1HG GLU 39 114.712 3.141 -2.641 266 2HG GLU 39 2HG GLU 39 115.900 1.850 -2.820 267 H ARG 40 H ARG 40 110.882 2.422 -2.621 268 HA ARG 40 HA ARG 40 111.569 5.276 -2.399 269 1HB ARG 40 1HB ARG 40 111.287 3.638 -4.686 270 2HB ARG 40 2HB ARG 40 109.901 4.718 -4.664 271 1HG ARG 40 1HG ARG 40 112.282 6.193 -4.062 272 2HG ARG 40 2HG ARG 40 112.508 5.267 -5.548 273 1HD ARG 40 1HD ARG 40 111.539 7.107 -6.452 274 2HD ARG 40 2HD ARG 40 110.070 6.229 -6.033 275 HE ARG 40 HE ARG 40 110.531 7.678 -3.815 276 1HH1 ARG 40 1HH1 ARG 40 110.408 8.543 -7.195 277 2HH1 ARG 40 2HH1 ARG 40 109.850 10.153 -6.891 278 1HH2 ARG 40 1HH2 ARG 40 109.798 9.795 -3.414 279 2HH2 ARG 40 2HH2 ARG 40 109.504 10.865 -4.744 280 H HIS 41 H HIS 41 109.346 2.858 -1.721 281 HA HIS 41 HA HIS 41 107.001 4.565 -1.712 282 1HB HIS 41 1HB HIS 41 107.564 1.659 -1.299 283 2HB HIS 41 2HB HIS 41 106.091 2.336 -0.626 284 HD1 HIS 41 HD1 HIS 41 104.647 3.765 -2.557 285 HD2 HIS 41 HD2 HIS 41 107.241 0.774 -3.820 286 HE1 HIS 41 HE1 HIS 41 103.903 3.165 -4.883 287 HE2 HIS 41 HE2 HIS 41 105.430 1.292 -5.591 288 H LEU 42 H LEU 42 109.587 4.033 0.302 289 HA LEU 42 HA LEU 42 108.195 4.075 2.814 290 1HB LEU 42 1HB LEU 42 111.097 4.284 2.031 291 2HB LEU 42 2HB LEU 42 110.539 4.312 3.698 292 HG LEU 42 HG LEU 42 109.496 2.029 2.223 293 1HD1 LEU 42 1HD1 LEU 42 111.311 1.346 1.164 294 2HD1 LEU 42 2HD1 LEU 42 112.115 1.190 2.729 295 3HD1 LEU 42 3HD1 LEU 42 112.258 2.689 1.802 296 1HD2 LEU 42 1HD2 LEU 42 109.785 2.689 4.770 297 2HD2 LEU 42 2HD2 LEU 42 111.286 1.792 4.552 298 3HD2 LEU 42 3HD2 LEU 42 109.737 1.015 4.219 299 H SER 43 H SER 43 108.057 5.772 4.226 300 HA SER 43 HA SER 43 108.048 8.394 3.084 301 1HB SER 43 1HB SER 43 107.034 9.108 5.081 302 2HB SER 43 2HB SER 43 106.484 7.437 4.917 303 HG SER 43 HG SER 43 107.227 7.381 6.911 304 H ALA 44 H ALA 44 109.220 10.232 3.949 305 HA ALA 44 HA ALA 44 111.950 9.958 3.938 306 1HB ALA 44 1HB ALA 44 110.501 12.088 3.825 307 2HB ALA 44 2HB ALA 44 112.103 12.200 4.557 308 3HB ALA 44 3HB ALA 44 110.670 12.115 5.581 309 H GLU 45 H GLU 45 109.763 9.497 6.594 310 HA GLU 45 HA GLU 45 111.828 9.462 8.612 311 1HB GLU 45 1HB GLU 45 109.348 8.083 9.314 312 2HB GLU 45 2HB GLU 45 110.134 9.438 10.100 313 1HG GLU 45 1HG GLU 45 109.152 10.748 8.027 314 2HG GLU 45 2HG GLU 45 108.009 9.405 8.041 315 H ASP 46 H ASP 46 109.727 7.094 7.047 316 HA ASP 46 HA ASP 46 110.760 4.792 8.217 317 1HB ASP 46 1HB ASP 46 109.734 4.934 5.383 318 2HB ASP 46 2HB ASP 46 109.666 3.565 6.495 319 H PHE 47 H PHE 47 111.630 6.258 5.066 320 HA PHE 47 HA PHE 47 113.604 4.469 4.331 321 1HB PHE 47 1HB PHE 47 112.587 6.483 3.055 322 2HB PHE 47 2HB PHE 47 113.886 7.412 3.808 323 HD1 PHE 47 HD1 PHE 47 113.256 4.392 1.757 324 HD2 PHE 47 HD2 PHE 47 115.984 7.468 2.845 325 HE1 PHE 47 HE1 PHE 47 114.810 3.647 -0.013 326 HE2 PHE 47 HE2 PHE 47 117.538 6.729 1.083 327 HZ PHE 47 HZ PHE 47 116.944 4.819 -0.350 328 H SER 48 H SER 48 114.077 7.586 5.995 329 HA SER 48 HA SER 48 116.825 7.200 6.468 330 1HB SER 48 1HB SER 48 114.856 8.967 7.941 331 2HB SER 48 2HB SER 48 116.613 9.088 8.046 332 HG SER 48 HG SER 48 116.512 9.380 5.682 333 H ARG 49 H ARG 49 114.142 5.713 7.895 334 HA ARG 49 HA ARG 49 115.457 5.271 10.457 335 1HB ARG 49 1HB ARG 49 113.037 5.766 10.397 336 2HB ARG 49 2HB ARG 49 112.774 4.302 9.459 337 1HG ARG 49 1HG ARG 49 112.422 3.285 11.400 338 2HG ARG 49 2HG ARG 49 114.163 3.401 11.659 339 1HD ARG 49 1HD ARG 49 112.033 5.310 12.606 340 2HD ARG 49 2HD ARG 49 113.060 4.271 13.597 341 HE ARG 49 HE ARG 49 114.850 5.811 12.298 342 1HH1 ARG 49 1HH1 ARG 49 111.984 6.572 14.138 343 2HH1 ARG 49 2HH1 ARG 49 112.583 8.104 14.674 344 1HH2 ARG 49 1HH2 ARG 49 115.641 7.827 13.003 345 2HH2 ARG 49 2HH2 ARG 49 114.658 8.818 14.028 346 H VAL 50 H VAL 50 114.574 3.526 7.531 347 HA VAL 50 HA VAL 50 115.550 1.011 8.625 348 HB VAL 50 HB VAL 50 114.650 1.463 5.788 349 1HG1 VAL 50 1HG1 VAL 50 114.345 -0.852 5.690 350 2HG1 VAL 50 2HG1 VAL 50 114.400 -1.025 7.443 351 3HG1 VAL 50 3HG1 VAL 50 115.871 -0.645 6.549 352 1HG2 VAL 50 1HG2 VAL 50 112.440 1.240 6.311 353 2HG2 VAL 50 2HG2 VAL 50 112.992 2.136 7.727 354 3HG2 VAL 50 3HG2 VAL 50 112.766 0.390 7.821 355 H PHE 51 H PHE 51 116.465 3.407 6.195 356 HA PHE 51 HA PHE 51 118.897 1.868 5.625 357 1HB PHE 51 1HB PHE 51 117.707 4.229 4.159 358 2HB PHE 51 2HB PHE 51 119.148 3.341 3.671 359 HD1 PHE 51 HD1 PHE 51 118.572 0.611 3.753 360 HD2 PHE 51 HD2 PHE 51 115.914 3.799 2.836 361 HE1 PHE 51 HE1 PHE 51 117.177 -0.934 2.431 362 HE2 PHE 51 HE2 PHE 51 114.512 2.258 1.516 363 HZ PHE 51 HZ PHE 51 115.151 -0.104 1.313 364 H ALA 52 H ALA 52 117.796 4.986 6.832 365 HA ALA 52 HA ALA 52 118.879 6.512 8.166 366 1HB ALA 52 1HB ALA 52 121.452 5.015 7.888 367 2HB ALA 52 2HB ALA 52 120.170 4.424 8.945 368 3HB ALA 52 3HB ALA 52 120.887 6.011 9.228 369 H MET 53 H MET 53 119.058 6.179 5.092 370 HA MET 53 HA MET 53 120.959 8.382 4.679 371 1HB MET 53 1HB MET 53 121.036 7.076 2.292 372 2HB MET 53 2HB MET 53 122.248 6.936 3.561 373 1HG MET 53 1HG MET 53 121.567 4.858 4.185 374 2HG MET 53 2HG MET 53 119.893 5.139 3.696 375 1HE MET 53 1HE MET 53 119.301 5.644 1.256 376 2HE MET 53 2HE MET 53 120.032 4.822 -0.124 377 3HE MET 53 3HE MET 53 120.762 6.294 0.508 378 H SER 54 H SER 54 120.554 9.597 2.711 379 HA SER 54 HA SER 54 117.833 10.387 2.591 380 1HB SER 54 1HB SER 54 120.315 11.153 1.063 381 2HB SER 54 2HB SER 54 118.737 11.849 0.677 382 HG SER 54 HG SER 54 119.867 13.149 2.165 383 HA PRO 55 HA PRO 55 116.131 7.740 -0.551 384 1HB PRO 55 1HB PRO 55 114.926 10.279 -1.555 385 2HB PRO 55 2HB PRO 55 114.147 8.733 -1.198 386 1HG PRO 55 1HG PRO 55 113.898 10.811 0.459 387 2HG PRO 55 2HG PRO 55 114.048 9.153 1.077 388 1HD PRO 55 1HD PRO 55 116.057 11.353 1.040 389 2HD PRO 55 2HD PRO 55 115.834 10.042 2.219 390 H GLU 56 H GLU 56 117.702 10.785 -1.205 391 HA GLU 56 HA GLU 56 118.170 10.237 -3.993 392 1HB GLU 56 1HB GLU 56 118.013 12.528 -3.553 393 2HB GLU 56 2HB GLU 56 118.952 12.407 -2.069 394 1HG GLU 56 1HG GLU 56 120.901 12.689 -3.128 395 2HG GLU 56 2HG GLU 56 120.417 11.695 -4.506 396 H GLU 57 H GLU 57 119.840 9.887 -0.932 397 HA GLU 57 HA GLU 57 122.438 9.457 -1.820 398 1HB GLU 57 1HB GLU 57 120.920 8.822 0.645 399 2HB GLU 57 2HB GLU 57 122.254 7.729 0.305 400 1HG GLU 57 1HG GLU 57 123.751 9.694 0.107 401 2HG GLU 57 2HG GLU 57 122.400 10.715 0.599 402 H PHE 58 H PHE 58 119.862 7.050 -1.258 403 HA PHE 58 HA PHE 58 121.085 4.704 -1.967 404 1HB PHE 58 1HB PHE 58 118.516 5.460 -1.478 405 2HB PHE 58 2HB PHE 58 118.419 5.132 -3.206 406 HD1 PHE 58 HD1 PHE 58 118.501 3.721 0.091 407 HD2 PHE 58 HD2 PHE 58 119.080 2.841 -4.032 408 HE1 PHE 58 HE1 PHE 58 118.219 1.328 0.569 409 HE2 PHE 58 HE2 PHE 58 118.797 0.443 -3.558 410 HZ PHE 58 HZ PHE 58 118.367 -0.320 -1.255 411 H GLY 59 H GLY 59 119.275 6.706 -4.316 412 1HA GLY 59 1HA GLY 59 120.068 5.353 -6.608 413 2HA GLY 59 2HA GLY 59 119.590 7.043 -6.565 414 H LYS 60 H LYS 60 121.886 7.551 -4.648 415 HA LYS 60 HA LYS 60 123.915 7.861 -6.735 416 1HB LYS 60 1HB LYS 60 123.265 9.307 -4.208 417 2HB LYS 60 2HB LYS 60 124.933 9.331 -4.777 418 1HG LYS 60 1HG LYS 60 124.435 10.584 -6.622 419 2HG LYS 60 2HG LYS 60 122.769 9.998 -6.704 420 1HD LYS 60 1HD LYS 60 122.282 12.035 -5.867 421 2HD LYS 60 2HD LYS 60 122.726 11.292 -4.329 422 1HE LYS 60 1HE LYS 60 125.153 12.069 -5.199 423 2HE LYS 60 2HE LYS 60 124.147 13.309 -5.948 424 1HZ LYS 60 1HZ LYS 60 123.643 14.221 -3.968 425 2HZ LYS 60 2HZ LYS 60 125.080 13.482 -3.469 426 3HZ LYS 60 3HZ LYS 60 123.594 12.739 -3.153 427 H LEU 61 H LEU 61 123.231 5.612 -4.465 428 HA LEU 61 HA LEU 61 125.822 5.275 -3.305 429 1HB LEU 61 1HB LEU 61 123.335 3.557 -3.334 430 2HB LEU 61 2HB LEU 61 124.769 3.183 -2.405 431 HG LEU 61 HG LEU 61 122.849 5.432 -1.987 432 1HD1 LEU 61 1HD1 LEU 61 123.409 2.872 -0.768 433 2HD1 LEU 61 2HD1 LEU 61 122.012 3.927 -0.595 434 3HD1 LEU 61 3HD1 LEU 61 123.443 4.195 0.397 435 1HD2 LEU 61 1HD2 LEU 61 125.072 6.393 -1.817 436 2HD2 LEU 61 2HD2 LEU 61 125.574 5.083 -0.747 437 3HD2 LEU 61 3HD2 LEU 61 124.352 6.237 -0.215 438 H ALA 62 H ALA 62 125.450 2.266 -3.697 439 HA ALA 62 HA ALA 62 126.464 2.066 -6.444 440 1HB ALA 62 1HB ALA 62 127.548 0.443 -4.153 441 2HB ALA 62 2HB ALA 62 128.272 1.956 -4.693 442 3HB ALA 62 3HB ALA 62 128.188 0.577 -5.789 443 H LEU 63 H LEU 63 126.769 -0.616 -6.684 444 HA LEU 63 HA LEU 63 124.010 -1.518 -6.689 445 1HB LEU 63 1HB LEU 63 125.661 -1.761 -8.608 446 2HB LEU 63 2HB LEU 63 126.413 -3.035 -7.667 447 HG LEU 63 HG LEU 63 123.588 -3.511 -7.829 448 1HD1 LEU 63 1HD1 LEU 63 123.460 -3.944 -10.259 449 2HD1 LEU 63 2HD1 LEU 63 124.996 -3.099 -10.459 450 3HD1 LEU 63 3HD1 LEU 63 123.583 -2.228 -9.861 451 1HD2 LEU 63 1HD2 LEU 63 124.269 -5.647 -8.186 452 2HD2 LEU 63 2HD2 LEU 63 125.773 -4.988 -7.539 453 3HD2 LEU 63 3HD2 LEU 63 125.566 -5.169 -9.283 454 H TRP 64 H TRP 64 126.925 -2.098 -4.936 455 HA TRP 64 HA TRP 64 125.998 -4.542 -3.719 456 1HB TRP 64 1HB TRP 64 128.161 -4.232 -2.427 457 2HB TRP 64 2HB TRP 64 128.347 -4.384 -4.180 458 HD1 TRP 64 HD1 TRP 64 129.387 -2.331 -5.443 459 HE1 TRP 64 HE1 TRP 64 130.295 -0.051 -4.681 460 HE3 TRP 64 HE3 TRP 64 127.655 -2.409 -0.763 461 HZ2 TRP 64 HZ2 TRP 64 130.264 1.508 -2.278 462 HZ3 TRP 64 HZ3 TRP 64 128.131 -0.488 0.744 463 HH2 TRP 64 HH2 TRP 64 129.394 1.423 -0.013 464 H LYS 65 H LYS 65 126.278 -1.144 -3.138 465 HA LYS 65 HA LYS 65 125.640 -1.206 -0.350 466 1HB LYS 65 1HB LYS 65 126.787 0.701 -1.553 467 2HB LYS 65 2HB LYS 65 125.227 1.094 -2.266 468 1HG LYS 65 1HG LYS 65 125.361 2.538 -0.467 469 2HG LYS 65 2HG LYS 65 124.388 1.204 0.166 470 1HD LYS 65 1HD LYS 65 126.366 0.259 1.235 471 2HD LYS 65 2HD LYS 65 127.356 1.567 0.576 472 1HE LYS 65 1HE LYS 65 125.526 3.050 1.801 473 2HE LYS 65 2HE LYS 65 125.383 1.596 2.799 474 1HZ LYS 65 1HZ LYS 65 127.843 3.191 2.317 475 2HZ LYS 65 2HZ LYS 65 127.813 1.716 3.147 476 3HZ LYS 65 3HZ LYS 65 126.988 3.055 3.771 477 H ARG 66 H ARG 66 123.746 -0.078 -3.166 478 HA ARG 66 HA ARG 66 121.283 0.229 -2.006 479 1HB ARG 66 1HB ARG 66 121.936 -0.897 -4.732 480 2HB ARG 66 2HB ARG 66 120.327 -0.393 -4.238 481 1HG ARG 66 1HG ARG 66 121.097 1.872 -3.924 482 2HG ARG 66 2HG ARG 66 122.744 1.380 -4.319 483 1HD ARG 66 1HD ARG 66 120.389 1.138 -6.191 484 2HD ARG 66 2HD ARG 66 121.538 2.484 -6.199 485 HE ARG 66 HE ARG 66 123.026 0.161 -6.423 486 1HH1 ARG 66 1HH1 ARG 66 120.559 1.811 -8.257 487 2HH1 ARG 66 2HH1 ARG 66 121.122 1.221 -9.785 488 1HH2 ARG 66 1HH2 ARG 66 123.770 -0.615 -8.433 489 2HH2 ARG 66 2HH2 ARG 66 122.945 -0.157 -9.884 490 H ASN 67 H ASN 67 122.744 -2.707 -3.252 491 HA ASN 67 HA ASN 67 120.594 -4.457 -2.794 492 1HB ASN 67 1HB ASN 67 123.492 -4.718 -3.286 493 2HB ASN 67 2HB ASN 67 122.766 -6.070 -2.415 494 1HD2 ASN 67 1HD2 ASN 67 122.422 -4.072 -5.302 495 2HD2 ASN 67 2HD2 ASN 67 121.719 -5.304 -6.289 496 H GLU 68 H GLU 68 123.536 -4.184 -0.804 497 HA GLU 68 HA GLU 68 122.816 -5.632 1.372 498 1HB GLU 68 1HB GLU 68 124.432 -3.096 1.210 499 2HB GLU 68 2HB GLU 68 124.265 -4.010 2.702 500 1HG GLU 68 1HG GLU 68 125.063 -5.640 0.421 501 2HG GLU 68 2HG GLU 68 126.213 -4.363 0.819 502 H LEU 69 H LEU 69 121.966 -2.229 0.767 503 HA LEU 69 HA LEU 69 120.706 -1.758 3.234 504 1HB LEU 69 1HB LEU 69 119.875 -0.521 0.624 505 2HB LEU 69 2HB LEU 69 119.707 0.149 2.235 506 HG LEU 69 HG LEU 69 122.427 -0.450 1.298 507 1HD1 LEU 69 1HD1 LEU 69 122.495 1.003 -0.377 508 2HD1 LEU 69 2HD1 LEU 69 121.627 2.217 0.556 509 3HD1 LEU 69 3HD1 LEU 69 120.735 0.992 -0.336 510 1HD2 LEU 69 1HD2 LEU 69 121.108 1.599 3.039 511 2HD2 LEU 69 2HD2 LEU 69 122.776 1.775 2.495 512 3HD2 LEU 69 3HD2 LEU 69 122.311 0.389 3.482 513 H LYS 70 H LYS 70 119.206 -2.373 0.089 514 HA LYS 70 HA LYS 70 116.605 -2.880 1.034 515 1HB LYS 70 1HB LYS 70 118.122 -3.538 -1.450 516 2HB LYS 70 2HB LYS 70 116.599 -4.363 -1.164 517 1HG LYS 70 1HG LYS 70 115.360 -2.408 -1.300 518 2HG LYS 70 2HG LYS 70 116.765 -1.384 -0.982 519 1HD LYS 70 1HD LYS 70 116.251 -1.152 -3.290 520 2HD LYS 70 2HD LYS 70 117.693 -2.165 -3.190 521 1HE LYS 70 1HE LYS 70 116.174 -4.160 -3.341 522 2HE LYS 70 2HE LYS 70 114.856 -3.043 -3.693 523 1HZ LYS 70 1HZ LYS 70 115.969 -4.059 -5.673 524 2HZ LYS 70 2HZ LYS 70 117.347 -3.155 -5.295 525 3HZ LYS 70 3HZ LYS 70 115.901 -2.368 -5.684 526 H LYS 71 H LYS 71 119.480 -4.745 1.115 527 HA LYS 71 HA LYS 71 118.163 -7.283 1.512 528 1HB LYS 71 1HB LYS 71 121.021 -6.340 1.402 529 2HB LYS 71 2HB LYS 71 120.627 -7.964 1.977 530 1HG LYS 71 1HG LYS 71 119.604 -8.510 -0.124 531 2HG LYS 71 2HG LYS 71 119.795 -6.847 -0.691 532 1HD LYS 71 1HD LYS 71 122.120 -7.059 -0.874 533 2HD LYS 71 2HD LYS 71 122.162 -8.490 0.157 534 1HE LYS 71 1HE LYS 71 120.762 -9.605 -1.686 535 2HE LYS 71 2HE LYS 71 121.267 -8.252 -2.695 536 1HZ LYS 71 1HZ LYS 71 123.615 -8.929 -1.862 537 2HZ LYS 71 2HZ LYS 71 122.892 -9.785 -3.128 538 3HZ LYS 71 3HZ LYS 71 122.884 -10.425 -1.562 539 H LYS 72 H LYS 72 119.540 -4.745 3.453 540 HA LYS 72 HA LYS 72 119.368 -6.364 5.867 541 1HB LYS 72 1HB LYS 72 121.401 -5.091 5.688 542 2HB LYS 72 2HB LYS 72 120.506 -3.618 5.342 543 1HG LYS 72 1HG LYS 72 119.798 -4.870 7.889 544 2HG LYS 72 2HG LYS 72 121.479 -4.337 7.782 545 1HD LYS 72 1HD LYS 72 120.839 -2.236 8.126 546 2HD LYS 72 2HD LYS 72 119.839 -2.296 6.676 547 1HE LYS 72 1HE LYS 72 118.011 -2.196 7.933 548 2HE LYS 72 2HE LYS 72 118.475 -3.698 8.733 549 1HZ LYS 72 1HZ LYS 72 119.731 -2.445 10.340 550 2HZ LYS 72 2HZ LYS 72 118.146 -1.856 10.293 551 3HZ LYS 72 3HZ LYS 72 119.392 -0.992 9.543 552 H ALA 73 H ALA 73 117.751 -3.946 4.097 553 HA ALA 73 HA ALA 73 116.148 -2.935 6.262 554 1HB ALA 73 1HB ALA 73 116.420 -2.441 3.352 555 2HB ALA 73 2HB ALA 73 116.425 -1.299 4.696 556 3HB ALA 73 3HB ALA 73 114.903 -1.986 4.127 557 H GLU 74 H GLU 74 116.135 -5.843 4.791 558 HA GLU 74 HA GLU 74 114.612 -7.534 4.709 559 1HB GLU 74 1HB GLU 74 112.564 -5.653 5.870 560 2HB GLU 74 2HB GLU 74 112.609 -7.404 5.981 561 1HG GLU 74 1HG GLU 74 114.628 -7.243 7.376 562 2HG GLU 74 2HG GLU 74 114.511 -5.485 7.305 563 H LEU 75 H LEU 75 114.791 -5.153 2.732 564 HA LEU 75 HA LEU 75 112.538 -6.050 1.135 565 1HB LEU 75 1HB LEU 75 112.699 -3.391 0.422 566 2HB LEU 75 2HB LEU 75 111.426 -4.145 1.372 567 HG LEU 75 HG LEU 75 113.388 -3.532 3.219 568 1HD1 LEU 75 1HD1 LEU 75 114.686 -2.129 1.890 569 2HD1 LEU 75 2HD1 LEU 75 113.612 -1.018 2.743 570 3HD1 LEU 75 3HD1 LEU 75 113.278 -1.459 1.064 571 1HD2 LEU 75 1HD2 LEU 75 111.709 -1.512 3.565 572 2HD2 LEU 75 2HD2 LEU 75 111.258 -3.175 3.937 573 3HD2 LEU 75 3HD2 LEU 75 110.750 -2.444 2.413 574 H PHE 76 H PHE 76 114.478 -7.260 0.310 575 HA PHE 76 HA PHE 76 115.650 -5.709 -1.903 576 1HB PHE 76 1HB PHE 76 117.628 -6.115 -0.862 577 2HB PHE 76 2HB PHE 76 116.975 -7.458 0.078 578 HD1 PHE 76 HD1 PHE 76 118.404 -6.478 -3.176 579 HD2 PHE 76 HD2 PHE 76 117.239 -9.702 -0.655 580 HE1 PHE 76 HE1 PHE 76 119.561 -8.056 -4.667 581 HE2 PHE 76 HE2 PHE 76 118.397 -11.287 -2.139 582 HZ PHE 76 HZ PHE 76 119.559 -10.464 -4.149 Start of MODEL 15 1 HT1 PRO 9 HT1 PRO 9 102.617 13.791 -11.078 2 HT2 PRO 9 HT2 PRO 9 103.349 12.474 -10.416 3 HA PRO 9 HA PRO 9 102.407 14.557 -9.193 4 1HB PRO 9 1HB PRO 9 100.624 12.606 -7.999 5 2HB PRO 9 2HB PRO 9 100.267 14.241 -8.569 6 1HG PRO 9 1HG PRO 9 99.375 11.997 -9.827 7 2HG PRO 9 2HG PRO 9 99.690 13.528 -10.665 8 1HD PRO 9 1HD PRO 9 101.415 11.074 -10.487 9 2HD PRO 9 2HD PRO 9 101.059 12.095 -11.894 10 H GLY 10 H GLY 10 102.879 11.064 -9.016 11 1HA GLY 10 1HA GLY 10 105.086 10.645 -7.743 12 2HA GLY 10 2HA GLY 10 104.212 11.384 -6.411 13 H LEU 11 H LEU 11 104.883 9.216 -5.518 14 HA LEU 11 HA LEU 11 102.806 7.228 -6.139 15 1HB LEU 11 1HB LEU 11 104.696 5.777 -4.853 16 2HB LEU 11 2HB LEU 11 104.533 5.885 -6.594 17 HG LEU 11 HG LEU 11 106.165 7.960 -6.244 18 1HD1 LEU 11 1HD1 LEU 11 107.849 7.288 -4.497 19 2HD1 LEU 11 2HD1 LEU 11 106.625 6.189 -3.859 20 3HD1 LEU 11 3HD1 LEU 11 106.325 7.927 -3.883 21 1HD2 LEU 11 1HD2 LEU 11 107.776 6.650 -7.173 22 2HD2 LEU 11 2HD2 LEU 11 106.385 5.590 -7.402 23 3HD2 LEU 11 3HD2 LEU 11 107.492 5.315 -6.057 24 H GLN 12 H GLN 12 102.241 5.808 -4.292 25 HA GLN 12 HA GLN 12 101.617 7.426 -1.999 26 1HB GLN 12 1HB GLN 12 100.655 5.117 -1.206 27 2HB GLN 12 2HB GLN 12 99.847 6.030 -2.472 28 1HG GLN 12 1HG GLN 12 101.892 4.095 -3.354 29 2HG GLN 12 2HG GLN 12 100.417 3.425 -2.664 30 1HE2 GLN 12 1HE2 GLN 12 101.639 3.668 -5.458 31 2HE2 GLN 12 2HE2 GLN 12 100.321 4.221 -6.428 32 H ILE 13 H ILE 13 102.159 6.953 0.186 33 HA ILE 13 HA ILE 13 104.509 5.230 0.544 34 HB ILE 13 HB ILE 13 104.204 7.992 1.729 35 1HG1 ILE 13 1HG1 ILE 13 105.782 6.932 -0.610 36 2HG1 ILE 13 2HG1 ILE 13 104.698 8.321 -0.556 37 1HG2 ILE 13 1HG2 ILE 13 105.427 6.208 3.059 38 2HG2 ILE 13 2HG2 ILE 13 106.314 7.695 2.722 39 3HG2 ILE 13 3HG2 ILE 13 106.642 6.239 1.782 40 1HD1 ILE 13 1HD1 ILE 13 107.537 8.158 -0.048 41 2HD1 ILE 13 2HD1 ILE 13 106.672 8.949 1.271 42 3HD1 ILE 13 3HD1 ILE 13 106.524 9.563 -0.375 43 H TYR 14 H TYR 14 104.248 3.816 2.119 44 HA TYR 14 HA TYR 14 102.417 4.430 4.348 45 1HB TYR 14 1HB TYR 14 102.787 1.653 3.237 46 2HB TYR 14 2HB TYR 14 101.496 2.255 4.270 47 HD1 TYR 14 HD1 TYR 14 102.899 2.583 0.839 48 HD2 TYR 14 HD2 TYR 14 99.479 2.950 3.343 49 HE1 TYR 14 HE1 TYR 14 101.498 2.957 -1.140 50 HE2 TYR 14 HE2 TYR 14 98.066 3.330 1.368 51 HH TYR 14 HH TYR 14 98.522 4.258 -1.070 52 HA PRO 15 HA PRO 15 105.333 3.136 7.434 53 1HB PRO 15 1HB PRO 15 104.407 0.522 8.085 54 2HB PRO 15 2HB PRO 15 104.087 2.026 8.957 55 1HG PRO 15 1HG PRO 15 102.408 0.593 6.978 56 2HG PRO 15 2HG PRO 15 101.921 1.627 8.333 57 1HD PRO 15 1HD PRO 15 101.740 2.475 5.806 58 2HD PRO 15 2HD PRO 15 102.219 3.580 7.110 59 H TYR 16 H TYR 16 106.979 1.381 7.961 60 HA TYR 16 HA TYR 16 108.199 0.552 5.515 61 1HB TYR 16 1HB TYR 16 109.753 1.257 7.072 62 2HB TYR 16 2HB TYR 16 108.917 0.485 8.416 63 HD1 TYR 16 HD1 TYR 16 111.008 -0.214 5.431 64 HD2 TYR 16 HD2 TYR 16 109.547 -1.613 9.164 65 HE1 TYR 16 HE1 TYR 16 112.566 -2.115 5.302 66 HE2 TYR 16 HE2 TYR 16 111.099 -3.524 9.067 67 HH TYR 16 HH TYR 16 112.343 -4.796 7.441 68 H GLU 17 H GLU 17 107.142 -1.261 8.401 69 HA GLU 17 HA GLU 17 107.596 -3.830 7.613 70 1HB GLU 17 1HB GLU 17 105.088 -2.897 9.022 71 2HB GLU 17 2HB GLU 17 105.769 -4.518 9.067 72 1HG GLU 17 1HG GLU 17 106.707 -3.839 10.973 73 2HG GLU 17 2HG GLU 17 107.876 -3.035 9.920 74 H MET 18 H MET 18 104.667 -1.951 6.812 75 HA MET 18 HA MET 18 103.450 -4.013 5.298 76 1HB MET 18 1HB MET 18 103.043 -1.045 5.492 77 2HB MET 18 2HB MET 18 102.175 -1.984 4.287 78 1HG MET 18 1HG MET 18 101.653 -3.465 6.453 79 2HG MET 18 2HG MET 18 101.850 -1.884 7.215 80 1HE MET 18 1HE MET 18 98.832 -0.016 6.627 81 2HE MET 18 2HE MET 18 100.206 0.410 5.606 82 3HE MET 18 3HE MET 18 100.475 -0.149 7.256 83 H LEU 19 H LEU 19 106.006 -1.857 4.620 84 HA LEU 19 HA LEU 19 105.762 -2.202 1.716 85 1HB LEU 19 1HB LEU 19 107.507 -0.444 3.431 86 2HB LEU 19 2HB LEU 19 107.659 -0.543 1.686 87 HG LEU 19 HG LEU 19 105.185 0.374 3.154 88 1HD1 LEU 19 1HD1 LEU 19 107.382 1.923 1.794 89 2HD1 LEU 19 2HD1 LEU 19 106.917 1.993 3.493 90 3HD1 LEU 19 3HD1 LEU 19 105.822 2.608 2.254 91 1HD2 LEU 19 1HD2 LEU 19 104.722 -0.625 0.988 92 2HD2 LEU 19 2HD2 LEU 19 105.920 0.433 0.241 93 3HD2 LEU 19 3HD2 LEU 19 104.459 1.120 0.951 94 H VAL 20 H VAL 20 106.931 -4.054 4.068 95 HA VAL 20 HA VAL 20 109.627 -4.506 3.232 96 HB VAL 20 HB VAL 20 107.873 -6.433 4.761 97 1HG1 VAL 20 1HG1 VAL 20 109.801 -7.593 4.296 98 2HG1 VAL 20 2HG1 VAL 20 110.212 -6.819 5.830 99 3HG1 VAL 20 3HG1 VAL 20 110.800 -6.138 4.313 100 1HG2 VAL 20 1HG2 VAL 20 108.302 -5.347 6.738 101 2HG2 VAL 20 2HG2 VAL 20 108.070 -3.991 5.634 102 3HG2 VAL 20 3HG2 VAL 20 109.698 -4.489 6.090 103 H VAL 21 H VAL 21 110.335 -6.703 2.353 104 HA VAL 21 HA VAL 21 108.570 -7.331 0.100 105 HB VAL 21 HB VAL 21 111.469 -8.051 0.530 106 1HG1 VAL 21 1HG1 VAL 21 109.583 -9.065 -1.307 107 2HG1 VAL 21 2HG1 VAL 21 111.322 -9.349 -1.258 108 3HG1 VAL 21 3HG1 VAL 21 110.675 -8.013 -2.211 109 1HG2 VAL 21 1HG2 VAL 21 111.015 -5.611 0.355 110 2HG2 VAL 21 2HG2 VAL 21 110.314 -5.902 -1.239 111 3HG2 VAL 21 3HG2 VAL 21 112.019 -6.248 -0.948 112 H THR 22 H THR 22 110.884 -9.290 1.994 113 HA THR 22 HA THR 22 109.009 -11.539 1.760 114 HB THR 22 HB THR 22 111.993 -11.455 2.195 115 HG1 THR 22 HG1 THR 22 110.315 -12.305 0.089 116 1HG2 THR 22 1HG2 THR 22 111.008 -13.315 3.493 117 2HG2 THR 22 2HG2 THR 22 112.041 -13.848 2.166 118 3HG2 THR 22 3HG2 THR 22 110.286 -13.924 2.003 119 H ASN 23 H ASN 23 111.471 -10.458 4.042 120 HA ASN 23 HA ASN 23 111.037 -11.791 6.271 121 1HB ASN 23 1HB ASN 23 111.284 -8.782 6.252 122 2HB ASN 23 2HB ASN 23 111.752 -9.868 7.564 123 1HD2 ASN 23 1HD2 ASN 23 112.500 -8.786 4.322 124 2HD2 ASN 23 2HD2 ASN 23 114.124 -9.381 4.294 125 H LYS 24 H LYS 24 108.951 -9.017 5.401 126 HA LYS 24 HA LYS 24 107.140 -9.858 7.562 127 1HB LYS 24 1HB LYS 24 107.953 -7.253 6.509 128 2HB LYS 24 2HB LYS 24 106.216 -7.403 6.760 129 1HG LYS 24 1HG LYS 24 107.354 -6.470 8.711 130 2HG LYS 24 2HG LYS 24 106.582 -8.014 9.077 131 1HD LYS 24 1HD LYS 24 108.759 -7.985 10.094 132 2HD LYS 24 2HD LYS 24 108.780 -9.127 8.749 133 1HE LYS 24 1HE LYS 24 110.529 -8.047 7.908 134 2HE LYS 24 2HE LYS 24 109.509 -6.627 7.683 135 1HZ LYS 24 1HZ LYS 24 111.572 -6.267 9.023 136 2HZ LYS 24 2HZ LYS 24 110.893 -7.234 10.233 137 3HZ LYS 24 3HZ LYS 24 110.139 -5.787 9.786 138 H GLY 25 H GLY 25 107.241 -11.052 4.839 139 1HA GLY 25 1HA GLY 25 104.853 -11.884 4.264 140 2HA GLY 25 2HA GLY 25 104.623 -10.207 3.796 141 H ARG 26 H ARG 26 104.304 -10.485 1.644 142 HA ARG 26 HA ARG 26 106.658 -11.215 0.097 143 1HB ARG 26 1HB ARG 26 104.967 -12.453 -1.498 144 2HB ARG 26 2HB ARG 26 105.721 -13.293 -0.157 145 1HG ARG 26 1HG ARG 26 102.965 -12.081 -0.075 146 2HG ARG 26 2HG ARG 26 103.306 -13.767 -0.433 147 1HD ARG 26 1HD ARG 26 103.553 -12.282 2.149 148 2HD ARG 26 2HD ARG 26 102.782 -13.826 1.810 149 HE ARG 26 HE ARG 26 105.705 -13.606 1.665 150 1HH1 ARG 26 1HH1 ARG 26 102.854 -14.944 3.184 151 2HH1 ARG 26 2HH1 ARG 26 103.741 -16.144 4.059 152 1HH2 ARG 26 1HH2 ARG 26 106.860 -15.181 2.822 153 2HH2 ARG 26 2HH2 ARG 26 106.009 -16.279 3.857 154 H THR 27 H THR 27 103.286 -10.751 -0.933 155 HA THR 27 HA THR 27 104.110 -8.268 -2.236 156 HB THR 27 HB THR 27 102.516 -10.594 -3.170 157 HG1 THR 27 HG1 THR 27 104.544 -10.416 -4.006 158 1HG2 THR 27 1HG2 THR 27 100.855 -9.006 -3.533 159 2HG2 THR 27 2HG2 THR 27 101.676 -9.191 -5.083 160 3HG2 THR 27 3HG2 THR 27 102.010 -7.784 -4.067 161 H LYS 28 H LYS 28 102.877 -8.960 0.396 162 HA LYS 28 HA LYS 28 100.184 -8.111 0.409 163 1HB LYS 28 1HB LYS 28 102.294 -8.430 2.516 164 2HB LYS 28 2HB LYS 28 100.685 -7.841 2.913 165 1HG LYS 28 1HG LYS 28 101.040 -10.292 3.263 166 2HG LYS 28 2HG LYS 28 99.671 -9.871 2.235 167 1HD LYS 28 1HD LYS 28 101.163 -10.261 0.246 168 2HD LYS 28 2HD LYS 28 102.374 -10.889 1.365 169 1HE LYS 28 1HE LYS 28 101.312 -12.831 0.734 170 2HE LYS 28 2HE LYS 28 100.401 -12.404 2.181 171 1HZ LYS 28 1HZ LYS 28 99.415 -11.310 -0.325 172 2HZ LYS 28 2HZ LYS 28 98.561 -11.939 0.993 173 3HZ LYS 28 3HZ LYS 28 99.260 -12.985 -0.137 174 H LEU 29 H LEU 29 102.388 -6.279 -0.737 175 HA LEU 29 HA LEU 29 102.680 -3.988 0.741 176 1HB LEU 29 1HB LEU 29 102.910 -4.863 -2.031 177 2HB LEU 29 2HB LEU 29 102.553 -3.156 -1.872 178 HG LEU 29 HG LEU 29 104.549 -2.689 -0.907 179 1HD1 LEU 29 1HD1 LEU 29 105.923 -4.966 -0.167 180 2HD1 LEU 29 2HD1 LEU 29 104.271 -5.296 0.342 181 3HD1 LEU 29 3HD1 LEU 29 105.100 -3.853 0.924 182 1HD2 LEU 29 1HD2 LEU 29 104.677 -4.595 -3.052 183 2HD2 LEU 29 2HD2 LEU 29 106.143 -4.604 -2.067 184 3HD2 LEU 29 3HD2 LEU 29 105.582 -3.101 -2.797 185 HA PRO 30 HA PRO 30 98.816 -1.854 0.787 186 1HB PRO 30 1HB PRO 30 100.335 0.585 0.063 187 2HB PRO 30 2HB PRO 30 99.333 0.267 1.484 188 1HG PRO 30 1HG PRO 30 102.007 0.364 1.650 189 2HG PRO 30 2HG PRO 30 101.051 -0.763 2.633 190 1HD PRO 30 1HD PRO 30 102.680 -1.290 0.181 191 2HD PRO 30 2HD PRO 30 102.449 -2.296 1.626 192 HA PRO 31 HA PRO 31 97.435 -0.947 -3.325 193 1HB PRO 31 1HB PRO 31 96.660 1.837 -2.838 194 2HB PRO 31 2HB PRO 31 95.637 0.428 -3.147 195 1HG PRO 31 1HG PRO 31 95.752 1.629 -0.730 196 2HG PRO 31 2HG PRO 31 95.483 -0.114 -0.916 197 1HD PRO 31 1HD PRO 31 97.999 1.354 -0.207 198 2HD PRO 31 2HD PRO 31 97.347 -0.155 0.467 199 H GLY 32 H GLY 32 99.112 -0.881 -4.752 200 1HA GLY 32 1HA GLY 32 100.216 0.321 -6.465 201 2HA GLY 32 2HA GLY 32 100.103 1.772 -5.485 202 H VAL 33 H VAL 33 101.263 -1.191 -4.075 203 HA VAL 33 HA VAL 33 104.020 -0.159 -4.175 204 HB VAL 33 HB VAL 33 103.251 -1.754 -1.840 205 1HG1 VAL 33 1HG1 VAL 33 105.130 -0.902 -1.024 206 2HG1 VAL 33 2HG1 VAL 33 104.711 0.735 -1.523 207 3HG1 VAL 33 3HG1 VAL 33 105.451 -0.378 -2.672 208 1HG2 VAL 33 1HG2 VAL 33 102.070 0.879 -2.462 209 2HG2 VAL 33 2HG2 VAL 33 102.690 0.645 -0.828 210 3HG2 VAL 33 3HG2 VAL 33 101.452 -0.435 -1.463 211 H ASP 34 H ASP 34 105.446 -1.440 -4.988 212 HA ASP 34 HA ASP 34 104.985 -4.341 -4.956 213 1HB ASP 34 1HB ASP 34 104.533 -3.125 -7.207 214 2HB ASP 34 2HB ASP 34 106.290 -2.981 -7.299 215 H ARG 35 H ARG 35 106.839 -5.625 -4.849 216 HA ARG 35 HA ARG 35 108.941 -4.642 -3.310 217 1HB ARG 35 1HB ARG 35 109.003 -7.104 -5.056 218 2HB ARG 35 2HB ARG 35 109.998 -6.792 -3.641 219 1HG ARG 35 1HG ARG 35 108.482 -7.938 -2.492 220 2HG ARG 35 2HG ARG 35 107.434 -6.528 -2.672 221 1HD ARG 35 1HD ARG 35 106.398 -8.709 -3.339 222 2HD ARG 35 2HD ARG 35 106.375 -7.464 -4.586 223 HE ARG 35 HE ARG 35 107.767 -8.759 -5.871 224 1HH1 ARG 35 1HH1 ARG 35 107.680 -10.043 -2.626 225 2HH1 ARG 35 2HH1 ARG 35 108.523 -11.496 -3.045 226 1HH2 ARG 35 1HH2 ARG 35 108.878 -10.670 -6.422 227 2HH2 ARG 35 2HH2 ARG 35 109.204 -11.852 -5.199 228 H MET 36 H MET 36 108.462 -4.441 -6.696 229 HA MET 36 HA MET 36 111.035 -4.505 -7.717 230 1HB MET 36 1HB MET 36 108.556 -3.020 -8.507 231 2HB MET 36 2HB MET 36 110.065 -2.723 -9.361 232 1HG MET 36 1HG MET 36 109.019 -5.504 -9.002 233 2HG MET 36 2HG MET 36 108.428 -4.463 -10.301 234 1HE MET 36 1HE MET 36 110.170 -6.159 -12.718 235 2HE MET 36 2HE MET 36 108.938 -6.473 -11.497 236 3HE MET 36 3HE MET 36 110.471 -7.342 -11.444 237 H ARG 37 H ARG 37 109.334 -1.798 -6.182 238 HA ARG 37 HA ARG 37 111.929 -0.494 -5.786 239 1HB ARG 37 1HB ARG 37 110.510 1.715 -6.200 240 2HB ARG 37 2HB ARG 37 111.332 0.882 -7.509 241 1HG ARG 37 1HG ARG 37 108.615 -0.078 -7.009 242 2HG ARG 37 2HG ARG 37 108.709 1.612 -7.503 243 1HD ARG 37 1HD ARG 37 110.187 0.848 -9.400 244 2HD ARG 37 2HD ARG 37 109.748 -0.804 -8.965 245 HE ARG 37 HE ARG 37 107.684 -0.472 -9.907 246 1HH1 ARG 37 1HH1 ARG 37 109.263 2.615 -9.510 247 2HH1 ARG 37 2HH1 ARG 37 108.071 3.482 -10.421 248 1HH2 ARG 37 1HH2 ARG 37 106.117 0.666 -11.104 249 2HH2 ARG 37 2HH2 ARG 37 106.285 2.375 -11.325 250 H LEU 38 H LEU 38 110.387 -1.987 -3.946 251 HA LEU 38 HA LEU 38 108.666 -0.561 -2.340 252 1HB LEU 38 1HB LEU 38 110.343 -2.935 -2.081 253 2HB LEU 38 2HB LEU 38 110.037 -2.123 -0.549 254 HG LEU 38 HG LEU 38 107.912 -3.057 -2.486 255 1HD1 LEU 38 1HD1 LEU 38 108.159 -5.047 -1.527 256 2HD1 LEU 38 2HD1 LEU 38 107.671 -4.319 0.004 257 3HD1 LEU 38 3HD1 LEU 38 109.379 -4.418 -0.420 258 1HD2 LEU 38 1HD2 LEU 38 107.003 -1.230 -1.427 259 2HD2 LEU 38 2HD2 LEU 38 107.854 -1.538 0.081 260 3HD2 LEU 38 3HD2 LEU 38 106.498 -2.563 -0.389 261 H GLU 39 H GLU 39 112.141 -0.303 -2.569 262 HA GLU 39 HA GLU 39 112.426 1.169 -0.136 263 1HB GLU 39 1HB GLU 39 114.705 1.408 -0.662 264 2HB GLU 39 2HB GLU 39 114.253 -0.192 -1.232 265 1HG GLU 39 1HG GLU 39 114.319 2.198 -3.044 266 2HG GLU 39 2HG GLU 39 115.736 1.198 -2.738 267 H ARG 40 H ARG 40 110.697 2.022 -2.627 268 HA ARG 40 HA ARG 40 111.615 4.819 -2.624 269 1HB ARG 40 1HB ARG 40 111.256 3.106 -4.780 270 2HB ARG 40 2HB ARG 40 109.808 4.101 -4.785 271 1HG ARG 40 1HG ARG 40 112.468 5.417 -4.523 272 2HG ARG 40 2HG ARG 40 111.945 4.831 -6.103 273 1HD ARG 40 1HD ARG 40 111.254 7.083 -5.993 274 2HD ARG 40 2HD ARG 40 109.801 6.121 -5.721 275 HE ARG 40 HE ARG 40 109.633 7.070 -3.657 276 1HH1 ARG 40 1HH1 ARG 40 112.933 7.401 -4.745 277 2HH1 ARG 40 2HH1 ARG 40 113.414 8.368 -3.391 278 1HH2 ARG 40 1HH2 ARG 40 110.263 8.340 -1.876 279 2HH2 ARG 40 2HH2 ARG 40 111.899 8.899 -1.760 280 H HIS 41 H HIS 41 109.156 2.595 -1.890 281 HA HIS 41 HA HIS 41 107.018 4.551 -1.810 282 1HB HIS 41 1HB HIS 41 107.263 1.593 -1.482 283 2HB HIS 41 2HB HIS 41 105.880 2.404 -0.769 284 HD1 HIS 41 HD1 HIS 41 104.565 4.023 -2.629 285 HD2 HIS 41 HD2 HIS 41 106.839 0.843 -4.033 286 HE1 HIS 41 HE1 HIS 41 103.743 3.587 -4.964 287 HE2 HIS 41 HE2 HIS 41 105.057 1.590 -5.753 288 H LEU 42 H LEU 42 109.566 3.863 0.128 289 HA LEU 42 HA LEU 42 108.237 3.862 2.676 290 1HB LEU 42 1HB LEU 42 111.123 4.002 1.826 291 2HB LEU 42 2HB LEU 42 110.614 4.042 3.509 292 HG LEU 42 HG LEU 42 109.553 1.796 1.924 293 1HD1 LEU 42 1HD1 LEU 42 111.446 0.724 1.423 294 2HD1 LEU 42 2HD1 LEU 42 112.281 1.301 2.869 295 3HD1 LEU 42 3HD1 LEU 42 112.158 2.339 1.441 296 1HD2 LEU 42 1HD2 LEU 42 109.160 2.124 4.316 297 2HD2 LEU 42 2HD2 LEU 42 110.895 1.990 4.604 298 3HD2 LEU 42 3HD2 LEU 42 109.994 0.610 3.972 299 H SER 43 H SER 43 108.087 5.528 4.092 300 HA SER 43 HA SER 43 108.218 8.182 3.023 301 1HB SER 43 1HB SER 43 107.897 7.841 5.948 302 2HB SER 43 2HB SER 43 106.932 8.784 4.807 303 HG SER 43 HG SER 43 105.572 7.194 5.140 304 H ALA 44 H ALA 44 109.338 9.952 4.257 305 HA ALA 44 HA ALA 44 112.067 9.669 4.195 306 1HB ALA 44 1HB ALA 44 111.158 11.859 4.249 307 2HB ALA 44 2HB ALA 44 112.135 11.692 5.708 308 3HB ALA 44 3HB ALA 44 110.379 11.572 5.805 309 H GLU 45 H GLU 45 109.984 9.425 7.064 310 HA GLU 45 HA GLU 45 112.009 8.871 8.921 311 1HB GLU 45 1HB GLU 45 109.991 7.480 10.004 312 2HB GLU 45 2HB GLU 45 110.081 9.233 10.075 313 1HG GLU 45 1HG GLU 45 108.323 9.515 8.689 314 2HG GLU 45 2HG GLU 45 108.715 8.094 7.724 315 H ASP 46 H ASP 46 109.818 6.591 7.300 316 HA ASP 46 HA ASP 46 110.929 4.226 8.148 317 1HB ASP 46 1HB ASP 46 109.739 4.811 5.429 318 2HB ASP 46 2HB ASP 46 109.969 3.204 6.120 319 H PHE 47 H PHE 47 111.713 5.896 5.074 320 HA PHE 47 HA PHE 47 113.760 4.185 4.294 321 1HB PHE 47 1HB PHE 47 112.572 6.146 3.044 322 2HB PHE 47 2HB PHE 47 113.893 7.117 3.699 323 HD1 PHE 47 HD1 PHE 47 113.175 4.081 1.703 324 HD2 PHE 47 HD2 PHE 47 115.961 7.151 2.659 325 HE1 PHE 47 HE1 PHE 47 114.643 3.329 -0.134 326 HE2 PHE 47 HE2 PHE 47 117.427 6.405 0.828 327 HZ PHE 47 HZ PHE 47 116.758 4.500 -0.575 328 H SER 48 H SER 48 114.116 7.387 5.825 329 HA SER 48 HA SER 48 116.880 7.183 6.243 330 1HB SER 48 1HB SER 48 115.099 9.192 6.489 331 2HB SER 48 2HB SER 48 115.313 8.782 8.191 332 HG SER 48 HG SER 48 117.364 9.441 6.342 333 H ARG 49 H ARG 49 114.322 5.585 7.825 334 HA ARG 49 HA ARG 49 115.805 5.225 10.308 335 1HB ARG 49 1HB ARG 49 113.401 5.630 10.461 336 2HB ARG 49 2HB ARG 49 113.083 4.218 9.464 337 1HG ARG 49 1HG ARG 49 112.681 3.740 11.807 338 2HG ARG 49 2HG ARG 49 114.026 2.776 11.191 339 1HD ARG 49 1HD ARG 49 115.412 3.632 12.705 340 2HD ARG 49 2HD ARG 49 114.987 5.279 12.232 341 HE ARG 49 HE ARG 49 113.558 5.398 14.024 342 1HH1 ARG 49 1HH1 ARG 49 114.526 2.077 13.552 343 2HH1 ARG 49 2HH1 ARG 49 113.839 1.535 15.047 344 1HH2 ARG 49 1HH2 ARG 49 112.656 4.685 15.988 345 2HH2 ARG 49 2HH2 ARG 49 112.779 3.015 16.430 346 H VAL 50 H VAL 50 114.659 3.335 7.543 347 HA VAL 50 HA VAL 50 115.835 0.895 8.575 348 HB VAL 50 HB VAL 50 114.725 1.325 5.805 349 1HG1 VAL 50 1HG1 VAL 50 114.606 -0.977 5.631 350 2HG1 VAL 50 2HG1 VAL 50 114.677 -1.217 7.376 351 3HG1 VAL 50 3HG1 VAL 50 116.124 -0.732 6.493 352 1HG2 VAL 50 1HG2 VAL 50 113.198 1.852 7.901 353 2HG2 VAL 50 2HG2 VAL 50 113.065 0.093 7.934 354 3HG2 VAL 50 3HG2 VAL 50 112.582 0.986 6.491 355 H PHE 51 H PHE 51 116.619 3.386 6.242 356 HA PHE 51 HA PHE 51 118.999 1.868 5.430 357 1HB PHE 51 1HB PHE 51 117.574 4.183 4.116 358 2HB PHE 51 2HB PHE 51 119.091 3.498 3.538 359 HD1 PHE 51 HD1 PHE 51 115.854 3.604 2.727 360 HD2 PHE 51 HD2 PHE 51 118.806 0.693 3.651 361 HE1 PHE 51 HE1 PHE 51 114.607 1.931 1.408 362 HE2 PHE 51 HE2 PHE 51 117.572 -0.981 2.334 363 HZ PHE 51 HZ PHE 51 115.477 -0.358 1.209 364 H ALA 52 H ALA 52 117.969 4.999 6.698 365 HA ALA 52 HA ALA 52 119.130 6.402 8.114 366 1HB ALA 52 1HB ALA 52 121.728 5.104 7.387 367 2HB ALA 52 2HB ALA 52 120.635 4.384 8.568 368 3HB ALA 52 3HB ALA 52 121.301 5.992 8.849 369 H MET 53 H MET 53 119.180 6.189 4.890 370 HA MET 53 HA MET 53 120.665 8.717 4.617 371 1HB MET 53 1HB MET 53 121.514 8.046 2.477 372 2HB MET 53 2HB MET 53 121.973 6.836 3.667 373 1HG MET 53 1HG MET 53 119.468 6.160 2.504 374 2HG MET 53 2HG MET 53 120.642 6.504 1.232 375 1HE MET 53 1HE MET 53 119.140 4.049 1.652 376 2HE MET 53 2HE MET 53 120.229 2.658 1.641 377 3HE MET 53 3HE MET 53 120.397 3.929 0.424 378 H SER 54 H SER 54 120.081 9.803 2.514 379 HA SER 54 HA SER 54 117.285 10.291 2.537 380 1HB SER 54 1HB SER 54 119.598 11.263 0.876 381 2HB SER 54 2HB SER 54 117.937 11.736 0.492 382 HG SER 54 HG SER 54 119.087 13.200 1.918 383 HA PRO 55 HA PRO 55 115.737 7.447 -0.504 384 1HB PRO 55 1HB PRO 55 114.236 9.775 -1.582 385 2HB PRO 55 2HB PRO 55 113.631 8.205 -1.046 386 1HG PRO 55 1HG PRO 55 113.274 10.400 0.436 387 2HG PRO 55 2HG PRO 55 113.604 8.825 1.184 388 1HD PRO 55 1HD PRO 55 115.424 11.161 0.797 389 2HD PRO 55 2HD PRO 55 115.340 10.002 2.143 390 H GLU 56 H GLU 56 117.077 10.553 -1.249 391 HA GLU 56 HA GLU 56 117.542 9.894 -4.040 392 1HB GLU 56 1HB GLU 56 116.964 12.137 -3.856 393 2HB GLU 56 2HB GLU 56 117.839 12.345 -2.343 394 1HG GLU 56 1HG GLU 56 119.866 12.639 -3.397 395 2HG GLU 56 2HG GLU 56 119.343 11.805 -4.865 396 H GLU 57 H GLU 57 119.063 9.411 -1.056 397 HA GLU 57 HA GLU 57 121.770 9.676 -1.939 398 1HB GLU 57 1HB GLU 57 120.411 8.892 0.578 399 2HB GLU 57 2HB GLU 57 121.908 8.030 0.254 400 1HG GLU 57 1HG GLU 57 122.274 10.819 -0.261 401 2HG GLU 57 2HG GLU 57 121.592 10.583 1.347 402 H PHE 58 H PHE 58 119.470 7.027 -1.471 403 HA PHE 58 HA PHE 58 120.951 4.774 -1.974 404 1HB PHE 58 1HB PHE 58 118.277 5.355 -1.857 405 2HB PHE 58 2HB PHE 58 118.451 4.938 -3.560 406 HD1 PHE 58 HD1 PHE 58 119.154 2.670 -4.209 407 HD2 PHE 58 HD2 PHE 58 118.428 3.719 -0.158 408 HE1 PHE 58 HE1 PHE 58 118.999 0.284 -3.620 409 HE2 PHE 58 HE2 PHE 58 118.290 1.343 0.449 410 HZ PHE 58 HZ PHE 58 118.573 -0.384 -1.288 411 H GLY 59 H GLY 59 119.263 6.550 -4.584 412 1HA GLY 59 1HA GLY 59 120.435 5.255 -6.732 413 2HA GLY 59 2HA GLY 59 119.832 6.905 -6.781 414 H LYS 60 H LYS 60 121.775 7.742 -4.694 415 HA LYS 60 HA LYS 60 124.010 8.196 -6.501 416 1HB LYS 60 1HB LYS 60 123.425 9.351 -3.767 417 2HB LYS 60 2HB LYS 60 124.743 9.849 -4.826 418 1HG LYS 60 1HG LYS 60 122.311 9.999 -6.294 419 2HG LYS 60 2HG LYS 60 122.084 10.813 -4.741 420 1HD LYS 60 1HD LYS 60 124.396 11.895 -5.302 421 2HD LYS 60 2HD LYS 60 123.988 11.441 -6.958 422 1HE LYS 60 1HE LYS 60 122.041 12.778 -6.948 423 2HE LYS 60 2HE LYS 60 122.105 12.989 -5.199 424 1HZ LYS 60 1HZ LYS 60 122.856 14.947 -6.499 425 2HZ LYS 60 2HZ LYS 60 124.164 14.036 -7.060 426 3HZ LYS 60 3HZ LYS 60 124.014 14.370 -5.409 427 H LEU 61 H LEU 61 123.257 5.847 -4.326 428 HA LEU 61 HA LEU 61 125.785 5.610 -3.004 429 1HB LEU 61 1HB LEU 61 123.410 3.743 -3.184 430 2HB LEU 61 2HB LEU 61 124.774 3.523 -2.114 431 HG LEU 61 HG LEU 61 122.676 5.647 -1.977 432 1HD1 LEU 61 1HD1 LEU 61 122.078 4.690 0.046 433 2HD1 LEU 61 2HD1 LEU 61 123.593 3.799 0.183 434 3HD1 LEU 61 3HD1 LEU 61 122.383 3.308 -1.005 435 1HD2 LEU 61 1HD2 LEU 61 124.724 6.801 -1.558 436 2HD2 LEU 61 2HD2 LEU 61 125.309 5.494 -0.529 437 3HD2 LEU 61 3HD2 LEU 61 123.955 6.492 -0.001 438 H ALA 62 H ALA 62 125.603 2.614 -3.371 439 HA ALA 62 HA ALA 62 126.720 2.424 -6.081 440 1HB ALA 62 1HB ALA 62 127.820 0.897 -3.738 441 2HB ALA 62 2HB ALA 62 128.457 2.460 -4.244 442 3HB ALA 62 3HB ALA 62 128.519 1.082 -5.345 443 H LEU 63 H LEU 63 127.050 -0.078 -6.576 444 HA LEU 63 HA LEU 63 124.405 -1.197 -6.498 445 1HB LEU 63 1HB LEU 63 126.143 -1.301 -8.403 446 2HB LEU 63 2HB LEU 63 126.843 -2.629 -7.496 447 HG LEU 63 HG LEU 63 123.939 -2.825 -8.000 448 1HD1 LEU 63 1HD1 LEU 63 125.266 -1.936 -10.127 449 2HD1 LEU 63 2HD1 LEU 63 123.966 -3.123 -10.244 450 3HD1 LEU 63 3HD1 LEU 63 125.648 -3.652 -10.269 451 1HD2 LEU 63 1HD2 LEU 63 125.840 -4.970 -8.687 452 2HD2 LEU 63 2HD2 LEU 63 124.327 -5.037 -7.784 453 3HD2 LEU 63 3HD2 LEU 63 125.802 -4.481 -6.993 454 H TRP 64 H TRP 64 127.312 -1.600 -4.687 455 HA TRP 64 HA TRP 64 126.510 -4.150 -3.579 456 1HB TRP 64 1HB TRP 64 128.630 -3.781 -2.240 457 2HB TRP 64 2HB TRP 64 128.861 -3.852 -3.993 458 HD1 TRP 64 HD1 TRP 64 129.844 -1.711 -5.140 459 HE1 TRP 64 HE1 TRP 64 130.600 0.586 -4.274 460 HE3 TRP 64 HE3 TRP 64 127.970 -2.037 -0.519 461 HZ2 TRP 64 HZ2 TRP 64 130.412 2.059 -1.824 462 HZ3 TRP 64 HZ3 TRP 64 128.295 -0.145 1.061 463 HH2 TRP 64 HH2 TRP 64 129.477 1.853 0.407 464 H LYS 65 H LYS 65 126.645 -0.762 -2.882 465 HA LYS 65 HA LYS 65 125.930 -0.954 -0.123 466 1HB LYS 65 1HB LYS 65 127.020 1.032 -1.391 467 2HB LYS 65 2HB LYS 65 125.367 1.444 -1.843 468 1HG LYS 65 1HG LYS 65 124.745 1.891 0.356 469 2HG LYS 65 2HG LYS 65 126.128 1.015 1.022 470 1HD LYS 65 1HD LYS 65 127.598 2.762 -0.050 471 2HD LYS 65 2HD LYS 65 126.124 3.678 -0.388 472 1HE LYS 65 1HE LYS 65 127.239 4.425 1.676 473 2HE LYS 65 2HE LYS 65 125.615 3.790 1.979 474 1HZ LYS 65 1HZ LYS 65 126.436 1.942 3.020 475 2HZ LYS 65 2HZ LYS 65 127.613 3.073 3.463 476 3HZ LYS 65 3HZ LYS 65 127.919 1.982 2.207 477 H ARG 66 H ARG 66 124.085 0.262 -2.929 478 HA ARG 66 HA ARG 66 121.586 0.446 -1.833 479 1HB ARG 66 1HB ARG 66 122.330 -0.535 -4.591 480 2HB ARG 66 2HB ARG 66 120.717 -0.019 -4.121 481 1HG ARG 66 1HG ARG 66 121.381 2.202 -3.849 482 2HG ARG 66 2HG ARG 66 123.090 1.762 -3.810 483 1HD ARG 66 1HD ARG 66 121.952 2.821 -5.963 484 2HD ARG 66 2HD ARG 66 123.252 1.630 -6.073 485 HE ARG 66 HE ARG 66 120.581 0.523 -6.068 486 1HH1 ARG 66 1HH1 ARG 66 123.209 1.737 -8.021 487 2HH1 ARG 66 2HH1 ARG 66 122.706 0.890 -9.444 488 1HH2 ARG 66 1HH2 ARG 66 119.919 -0.588 -7.942 489 2HH2 ARG 66 2HH2 ARG 66 120.838 -0.428 -9.401 490 H ASN 67 H ASN 67 123.185 -2.396 -3.094 491 HA ASN 67 HA ASN 67 121.035 -4.199 -2.849 492 1HB ASN 67 1HB ASN 67 123.947 -4.375 -3.263 493 2HB ASN 67 2HB ASN 67 123.233 -5.790 -2.490 494 1HD2 ASN 67 1HD2 ASN 67 122.978 -3.657 -5.284 495 2HD2 ASN 67 2HD2 ASN 67 122.309 -4.838 -6.354 496 H GLU 68 H GLU 68 123.915 -4.099 -0.745 497 HA GLU 68 HA GLU 68 123.039 -5.663 1.294 498 1HB GLU 68 1HB GLU 68 124.642 -4.564 2.734 499 2HB GLU 68 2HB GLU 68 125.318 -4.736 1.121 500 1HG GLU 68 1HG GLU 68 125.393 -2.516 0.762 501 2HG GLU 68 2HG GLU 68 123.932 -2.197 1.692 502 H LEU 69 H LEU 69 122.188 -2.286 0.736 503 HA LEU 69 HA LEU 69 120.963 -1.835 3.243 504 1HB LEU 69 1HB LEU 69 120.197 -0.560 0.626 505 2HB LEU 69 2HB LEU 69 119.923 0.072 2.237 506 HG LEU 69 HG LEU 69 122.689 -0.442 1.355 507 1HD1 LEU 69 1HD1 LEU 69 122.041 2.269 0.862 508 2HD1 LEU 69 2HD1 LEU 69 120.912 1.254 -0.036 509 3HD1 LEU 69 3HD1 LEU 69 122.648 1.062 -0.267 510 1HD2 LEU 69 1HD2 LEU 69 121.457 1.663 3.117 511 2HD2 LEU 69 2HD2 LEU 69 123.182 1.395 2.861 512 3HD2 LEU 69 3HD2 LEU 69 122.213 0.172 3.682 513 H LYS 70 H LYS 70 119.453 -2.320 0.088 514 HA LYS 70 HA LYS 70 116.854 -2.884 1.016 515 1HB LYS 70 1HB LYS 70 118.382 -3.389 -1.495 516 2HB LYS 70 2HB LYS 70 116.866 -4.248 -1.266 517 1HG LYS 70 1HG LYS 70 115.607 -2.361 -1.454 518 2HG LYS 70 2HG LYS 70 116.877 -1.319 -0.801 519 1HD LYS 70 1HD LYS 70 116.558 -0.842 -3.150 520 2HD LYS 70 2HD LYS 70 118.136 -1.592 -2.907 521 1HE LYS 70 1HE LYS 70 117.560 -3.481 -4.022 522 2HE LYS 70 2HE LYS 70 115.883 -3.414 -3.487 523 1HZ LYS 70 1HZ LYS 70 116.731 -1.324 -5.321 524 2HZ LYS 70 2HZ LYS 70 115.276 -2.182 -5.256 525 3HZ LYS 70 3HZ LYS 70 116.639 -2.884 -5.969 526 H LYS 71 H LYS 71 119.740 -4.738 0.997 527 HA LYS 71 HA LYS 71 118.438 -7.299 1.270 528 1HB LYS 71 1HB LYS 71 121.296 -6.339 1.259 529 2HB LYS 71 2HB LYS 71 120.891 -7.996 1.719 530 1HG LYS 71 1HG LYS 71 119.951 -8.429 -0.427 531 2HG LYS 71 2HG LYS 71 120.071 -6.726 -0.880 532 1HD LYS 71 1HD LYS 71 122.405 -6.822 -1.053 533 2HD LYS 71 2HD LYS 71 122.502 -8.320 -0.127 534 1HE LYS 71 1HE LYS 71 121.222 -9.407 -2.030 535 2HE LYS 71 2HE LYS 71 121.538 -7.936 -2.948 536 1HZ LYS 71 1HZ LYS 71 123.984 -8.510 -2.084 537 2HZ LYS 71 2HZ LYS 71 123.366 -9.070 -3.554 538 3HZ LYS 71 3HZ LYS 71 123.350 -10.074 -2.194 539 H LYS 72 H LYS 72 119.811 -4.851 3.334 540 HA LYS 72 HA LYS 72 119.589 -6.563 5.680 541 1HB LYS 72 1HB LYS 72 121.641 -5.318 5.577 542 2HB LYS 72 2HB LYS 72 120.779 -3.820 5.266 543 1HG LYS 72 1HG LYS 72 119.847 -4.934 7.725 544 2HG LYS 72 2HG LYS 72 121.613 -4.878 7.741 545 1HD LYS 72 1HD LYS 72 121.374 -2.737 8.350 546 2HD LYS 72 2HD LYS 72 120.934 -2.437 6.669 547 1HE LYS 72 1HE LYS 72 119.166 -1.478 7.801 548 2HE LYS 72 2HE LYS 72 118.543 -3.091 7.459 549 1HZ LYS 72 1HZ LYS 72 118.087 -3.060 9.644 550 2HZ LYS 72 2HZ LYS 72 119.244 -1.878 9.997 551 3HZ LYS 72 3HZ LYS 72 119.714 -3.493 9.817 552 H ALA 73 H ALA 73 118.048 -4.017 4.006 553 HA ALA 73 HA ALA 73 116.444 -3.052 6.180 554 1HB ALA 73 1HB ALA 73 116.738 -2.495 3.286 555 2HB ALA 73 2HB ALA 73 116.715 -1.384 4.655 556 3HB ALA 73 3HB ALA 73 115.206 -2.064 4.043 557 H GLU 74 H GLU 74 116.376 -5.928 4.625 558 HA GLU 74 HA GLU 74 114.825 -7.595 4.548 559 1HB GLU 74 1HB GLU 74 112.807 -5.680 5.710 560 2HB GLU 74 2HB GLU 74 112.795 -7.432 5.788 561 1HG GLU 74 1HG GLU 74 114.795 -5.643 7.147 562 2HG GLU 74 2HG GLU 74 113.408 -6.409 7.921 563 H LEU 75 H LEU 75 115.068 -5.231 2.573 564 HA LEU 75 HA LEU 75 112.828 -6.090 0.950 565 1HB LEU 75 1HB LEU 75 112.924 -3.403 0.339 566 2HB LEU 75 2HB LEU 75 111.665 -4.226 1.249 567 HG LEU 75 HG LEU 75 113.613 -3.634 3.126 568 1HD1 LEU 75 1HD1 LEU 75 113.732 -1.091 2.761 569 2HD1 LEU 75 2HD1 LEU 75 113.423 -1.475 1.063 570 3HD1 LEU 75 3HD1 LEU 75 114.854 -2.121 1.870 571 1HD2 LEU 75 1HD2 LEU 75 111.842 -1.667 3.507 572 2HD2 LEU 75 2HD2 LEU 75 111.513 -3.351 3.911 573 3HD2 LEU 75 3HD2 LEU 75 110.923 -2.678 2.390 574 H PHE 76 H PHE 76 114.759 -7.229 0.062 575 HA PHE 76 HA PHE 76 115.900 -5.570 -2.089 576 1HB PHE 76 1HB PHE 76 117.876 -5.960 -1.005 577 2HB PHE 76 2HB PHE 76 117.286 -7.428 -0.226 578 HD1 PHE 76 HD1 PHE 76 118.632 -6.026 -3.362 579 HD2 PHE 76 HD2 PHE 76 117.701 -9.557 -1.178 580 HE1 PHE 76 HE1 PHE 76 119.867 -7.367 -5.013 581 HE2 PHE 76 HE2 PHE 76 118.938 -10.906 -2.824 582 HZ PHE 76 HZ PHE 76 120.022 -9.811 -4.745 Start of MODEL 16 1 HT1 PRO 9 HT1 PRO 9 100.350 13.256 -5.026 2 HT2 PRO 9 HT2 PRO 9 101.938 12.840 -4.919 3 HA PRO 9 HA PRO 9 100.400 13.655 -7.066 4 1HB PRO 9 1HB PRO 9 102.964 14.654 -7.725 5 2HB PRO 9 2HB PRO 9 101.457 15.569 -7.589 6 1HG PRO 9 1HG PRO 9 103.617 15.172 -5.587 7 2HG PRO 9 2HG PRO 9 102.558 16.571 -5.840 8 1HD PRO 9 1HD PRO 9 102.176 14.941 -3.766 9 2HD PRO 9 2HD PRO 9 100.792 15.603 -4.658 10 H GLY 10 H GLY 10 103.747 12.842 -6.105 11 1HA GLY 10 1HA GLY 10 104.290 11.124 -8.247 12 2HA GLY 10 2HA GLY 10 105.106 11.087 -6.692 13 H LEU 11 H LEU 11 104.810 9.421 -5.415 14 HA LEU 11 HA LEU 11 102.659 7.536 -6.094 15 1HB LEU 11 1HB LEU 11 104.205 5.796 -5.146 16 2HB LEU 11 2HB LEU 11 104.667 6.481 -6.690 17 HG LEU 11 HG LEU 11 105.971 8.076 -4.811 18 1HD1 LEU 11 1HD1 LEU 11 106.790 5.351 -4.049 19 2HD1 LEU 11 2HD1 LEU 11 105.272 5.928 -3.361 20 3HD1 LEU 11 3HD1 LEU 11 106.760 6.838 -3.102 21 1HD2 LEU 11 1HD2 LEU 11 106.609 6.916 -7.096 22 2HD2 LEU 11 2HD2 LEU 11 107.369 5.747 -6.015 23 3HD2 LEU 11 3HD2 LEU 11 107.843 7.445 -5.952 24 H GLN 12 H GLN 12 102.015 6.112 -4.284 25 HA GLN 12 HA GLN 12 101.406 7.702 -1.973 26 1HB GLN 12 1HB GLN 12 100.565 5.196 -1.279 27 2HB GLN 12 2HB GLN 12 99.601 6.370 -2.163 28 1HG GLN 12 1HG GLN 12 99.542 4.132 -3.164 29 2HG GLN 12 2HG GLN 12 100.193 5.348 -4.259 30 1HE2 GLN 12 1HE2 GLN 12 101.272 3.851 -5.504 31 2HE2 GLN 12 2HE2 GLN 12 102.681 3.019 -4.952 32 H ILE 13 H ILE 13 101.946 7.254 0.191 33 HA ILE 13 HA ILE 13 104.366 5.617 0.528 34 HB ILE 13 HB ILE 13 103.804 7.995 2.254 35 1HG1 ILE 13 1HG1 ILE 13 103.777 8.696 -0.172 36 2HG1 ILE 13 2HG1 ILE 13 105.045 9.434 0.802 37 1HG2 ILE 13 1HG2 ILE 13 106.159 6.295 1.559 38 2HG2 ILE 13 2HG2 ILE 13 105.510 6.712 3.146 39 3HG2 ILE 13 3HG2 ILE 13 106.385 7.920 2.203 40 1HD1 ILE 13 1HD1 ILE 13 105.939 8.810 -1.330 41 2HD1 ILE 13 2HD1 ILE 13 105.363 7.155 -1.131 42 3HD1 ILE 13 3HD1 ILE 13 106.640 7.777 -0.084 43 H TYR 14 H TYR 14 104.129 3.981 1.903 44 HA TYR 14 HA TYR 14 102.149 4.222 4.073 45 1HB TYR 14 1HB TYR 14 102.795 1.655 2.617 46 2HB TYR 14 2HB TYR 14 101.498 1.937 3.773 47 HD1 TYR 14 HD1 TYR 14 102.414 1.920 0.327 48 HD2 TYR 14 HD2 TYR 14 99.657 3.584 3.105 49 HE1 TYR 14 HE1 TYR 14 100.882 2.440 -1.517 50 HE2 TYR 14 HE2 TYR 14 98.116 4.116 1.268 51 HH TYR 14 HH TYR 14 98.370 4.556 -1.276 52 HA PRO 15 HA PRO 15 104.974 2.887 7.199 53 1HB PRO 15 1HB PRO 15 103.694 0.177 7.188 54 2HB PRO 15 2HB PRO 15 104.109 1.219 8.559 55 1HG PRO 15 1HG PRO 15 101.597 1.058 7.725 56 2HG PRO 15 2HG PRO 15 102.283 2.620 8.212 57 1HD PRO 15 1HD PRO 15 101.696 1.574 5.488 58 2HD PRO 15 2HD PRO 15 101.614 3.240 6.098 59 H TYR 16 H TYR 16 106.700 1.243 7.694 60 HA TYR 16 HA TYR 16 108.021 0.523 5.240 61 1HB TYR 16 1HB TYR 16 109.589 1.325 6.702 62 2HB TYR 16 2HB TYR 16 108.756 0.683 8.117 63 HD1 TYR 16 HD1 TYR 16 111.081 -0.113 5.378 64 HD2 TYR 16 HD2 TYR 16 109.235 -1.510 8.945 65 HE1 TYR 16 HE1 TYR 16 112.664 -1.989 5.448 66 HE2 TYR 16 HE2 TYR 16 110.814 -3.393 9.033 67 HH TYR 16 HH TYR 16 113.232 -3.806 8.107 68 H GLU 17 H GLU 17 107.320 -1.346 8.202 69 HA GLU 17 HA GLU 17 107.923 -3.864 7.356 70 1HB GLU 17 1HB GLU 17 106.110 -4.655 8.923 71 2HB GLU 17 2HB GLU 17 107.281 -3.539 9.613 72 1HG GLU 17 1HG GLU 17 105.069 -2.080 8.521 73 2HG GLU 17 2HG GLU 17 104.489 -3.331 9.625 74 H MET 18 H MET 18 105.239 -1.938 6.298 75 HA MET 18 HA MET 18 103.708 -4.124 5.254 76 1HB MET 18 1HB MET 18 103.362 -1.306 5.645 77 2HB MET 18 2HB MET 18 102.943 -1.712 3.988 78 1HG MET 18 1HG MET 18 101.179 -3.034 4.609 79 2HG MET 18 2HG MET 18 101.866 -3.389 6.196 80 1HE MET 18 1HE MET 18 99.716 -2.365 8.090 81 2HE MET 18 2HE MET 18 99.419 -3.286 6.616 82 3HE MET 18 3HE MET 18 98.490 -1.824 6.943 83 H LEU 19 H LEU 19 106.218 -2.033 4.008 84 HA LEU 19 HA LEU 19 105.748 -3.026 1.277 85 1HB LEU 19 1HB LEU 19 107.957 -1.138 1.698 86 2HB LEU 19 2HB LEU 19 106.694 -1.140 0.485 87 HG LEU 19 HG LEU 19 106.613 0.015 3.253 88 1HD1 LEU 19 1HD1 LEU 19 106.698 2.017 2.255 89 2HD1 LEU 19 2HD1 LEU 19 105.629 1.519 0.942 90 3HD1 LEU 19 3HD1 LEU 19 107.346 1.118 0.883 91 1HD2 LEU 19 1HD2 LEU 19 104.460 -1.220 1.852 92 2HD2 LEU 19 2HD2 LEU 19 104.183 0.519 1.924 93 3HD2 LEU 19 3HD2 LEU 19 104.446 -0.395 3.409 94 H VAL 20 H VAL 20 107.279 -4.245 3.803 95 HA VAL 20 HA VAL 20 109.943 -4.581 3.027 96 HB VAL 20 HB VAL 20 108.276 -6.548 4.603 97 1HG1 VAL 20 1HG1 VAL 20 110.641 -6.731 5.717 98 2HG1 VAL 20 2HG1 VAL 20 111.190 -6.165 4.140 99 3HG1 VAL 20 3HG1 VAL 20 110.260 -7.660 4.265 100 1HG2 VAL 20 1HG2 VAL 20 109.912 -4.233 5.611 101 2HG2 VAL 20 2HG2 VAL 20 108.917 -5.332 6.562 102 3HG2 VAL 20 3HG2 VAL 20 108.160 -4.209 5.435 103 H VAL 21 H VAL 21 110.968 -6.634 2.246 104 HA VAL 21 HA VAL 21 109.549 -7.488 -0.135 105 HB VAL 21 HB VAL 21 112.390 -7.971 0.747 106 1HG1 VAL 21 1HG1 VAL 21 111.125 -8.532 -1.933 107 2HG1 VAL 21 2HG1 VAL 21 111.584 -9.754 -0.749 108 3HG1 VAL 21 3HG1 VAL 21 112.821 -8.753 -1.508 109 1HG2 VAL 21 1HG2 VAL 21 111.831 -5.632 0.265 110 2HG2 VAL 21 2HG2 VAL 21 111.250 -6.106 -1.330 111 3HG2 VAL 21 3HG2 VAL 21 112.953 -6.298 -0.920 112 H THR 22 H THR 22 111.550 -9.368 2.193 113 HA THR 22 HA THR 22 109.804 -11.648 1.575 114 HB THR 22 HB THR 22 112.616 -11.573 2.673 115 HG1 THR 22 HG1 THR 22 111.492 -12.250 0.173 116 1HG2 THR 22 1HG2 THR 22 111.288 -13.505 3.543 117 2HG2 THR 22 2HG2 THR 22 112.693 -13.937 2.570 118 3HG2 THR 22 3HG2 THR 22 111.076 -14.025 1.872 119 H ASN 23 H ASN 23 111.855 -11.126 4.369 120 HA ASN 23 HA ASN 23 110.637 -12.440 6.300 121 1HB ASN 23 1HB ASN 23 111.450 -10.713 7.912 122 2HB ASN 23 2HB ASN 23 112.651 -11.216 6.718 123 1HD2 ASN 23 1HD2 ASN 23 113.071 -9.795 4.924 124 2HD2 ASN 23 2HD2 ASN 23 112.787 -8.103 5.089 125 H LYS 24 H LYS 24 109.593 -9.106 5.480 126 HA LYS 24 HA LYS 24 107.259 -9.554 7.207 127 1HB LYS 24 1HB LYS 24 108.930 -7.233 6.597 128 2HB LYS 24 2HB LYS 24 107.203 -6.886 6.609 129 1HG LYS 24 1HG LYS 24 107.468 -6.614 8.807 130 2HG LYS 24 2HG LYS 24 107.496 -8.377 8.876 131 1HD LYS 24 1HD LYS 24 110.051 -6.991 8.282 132 2HD LYS 24 2HD LYS 24 109.428 -6.874 9.928 133 1HE LYS 24 1HE LYS 24 109.501 -9.546 8.619 134 2HE LYS 24 2HE LYS 24 111.016 -8.849 9.191 135 1HZ LYS 24 1HZ LYS 24 108.634 -9.036 10.934 136 2HZ LYS 24 2HZ LYS 24 110.249 -8.812 11.382 137 3HZ LYS 24 3HZ LYS 24 109.736 -10.313 10.794 138 H GLY 25 H GLY 25 107.429 -10.502 4.375 139 1HA GLY 25 1HA GLY 25 105.323 -10.764 3.159 140 2HA GLY 25 2HA GLY 25 105.027 -9.056 3.433 141 H ARG 26 H ARG 26 105.042 -10.545 0.939 142 HA ARG 26 HA ARG 26 107.308 -9.288 -0.444 143 1HB ARG 26 1HB ARG 26 106.494 -10.939 -2.327 144 2HB ARG 26 2HB ARG 26 107.521 -11.501 -1.019 145 1HG ARG 26 1HG ARG 26 104.521 -11.758 -0.990 146 2HG ARG 26 2HG ARG 26 105.601 -13.000 -1.615 147 1HD ARG 26 1HD ARG 26 106.569 -12.272 0.935 148 2HD ARG 26 2HD ARG 26 104.820 -12.464 1.085 149 HE ARG 26 HE ARG 26 105.937 -14.634 -0.352 150 1HH1 ARG 26 1HH1 ARG 26 105.675 -13.338 2.878 151 2HH1 ARG 26 2HH1 ARG 26 105.814 -14.884 3.645 152 1HH2 ARG 26 1HH2 ARG 26 106.119 -16.669 0.656 153 2HH2 ARG 26 2HH2 ARG 26 106.066 -16.776 2.383 154 H THR 27 H THR 27 104.374 -10.391 -2.044 155 HA THR 27 HA THR 27 103.996 -7.727 -3.119 156 HB THR 27 HB THR 27 103.751 -10.269 -4.141 157 HG1 THR 27 HG1 THR 27 104.034 -8.171 -5.211 158 1HG2 THR 27 1HG2 THR 27 101.586 -10.815 -4.660 159 2HG2 THR 27 2HG2 THR 27 100.975 -9.201 -4.294 160 3HG2 THR 27 3HG2 THR 27 101.442 -10.288 -2.985 161 H LYS 28 H LYS 28 103.214 -9.080 -0.387 162 HA LYS 28 HA LYS 28 100.408 -8.607 -0.204 163 1HB LYS 28 1HB LYS 28 102.522 -9.320 1.823 164 2HB LYS 28 2HB LYS 28 100.817 -9.155 2.222 165 1HG LYS 28 1HG LYS 28 101.399 -11.481 1.887 166 2HG LYS 28 2HG LYS 28 100.268 -10.940 0.646 167 1HD LYS 28 1HD LYS 28 101.972 -10.833 -0.997 168 2HD LYS 28 2HD LYS 28 103.246 -10.963 0.216 169 1HE LYS 28 1HE LYS 28 101.287 -13.110 -0.583 170 2HE LYS 28 2HE LYS 28 103.013 -13.070 -0.940 171 1HZ LYS 28 1HZ LYS 28 103.191 -14.288 0.909 172 2HZ LYS 28 2HZ LYS 28 101.653 -13.868 1.471 173 3HZ LYS 28 3HZ LYS 28 102.963 -12.836 1.747 174 H LEU 29 H LEU 29 102.782 -6.405 -0.428 175 HA LEU 29 HA LEU 29 102.427 -4.711 1.772 176 1HB LEU 29 1HB LEU 29 102.733 -3.231 -0.726 177 2HB LEU 29 2HB LEU 29 103.684 -3.162 0.738 178 HG LEU 29 HG LEU 29 105.083 -3.719 -1.092 179 1HD1 LEU 29 1HD1 LEU 29 104.616 -6.316 0.378 180 2HD1 LEU 29 2HD1 LEU 29 105.394 -4.921 1.123 181 3HD1 LEU 29 3HD1 LEU 29 106.129 -5.696 -0.280 182 1HD2 LEU 29 1HD2 LEU 29 104.465 -4.930 -2.807 183 2HD2 LEU 29 2HD2 LEU 29 102.857 -4.986 -2.085 184 3HD2 LEU 29 3HD2 LEU 29 104.004 -6.293 -1.795 185 HA PRO 30 HA PRO 30 98.631 -2.538 1.387 186 1HB PRO 30 1HB PRO 30 100.079 0.010 0.928 187 2HB PRO 30 2HB PRO 30 98.946 -0.421 2.215 188 1HG PRO 30 1HG PRO 30 101.580 -0.198 2.677 189 2HG PRO 30 2HG PRO 30 100.584 -1.409 3.510 190 1HD PRO 30 1HD PRO 30 102.501 -1.763 1.237 191 2HD PRO 30 2HD PRO 30 102.150 -2.843 2.601 192 HA PRO 31 HA PRO 31 97.753 -1.473 -2.841 193 1HB PRO 31 1HB PRO 31 96.510 1.106 -2.412 194 2HB PRO 31 2HB PRO 31 95.737 -0.455 -2.710 195 1HG PRO 31 1HG PRO 31 95.586 0.884 -0.331 196 2HG PRO 31 2HG PRO 31 95.444 -0.876 -0.482 197 1HD PRO 31 1HD PRO 31 97.803 0.774 0.346 198 2HD PRO 31 2HD PRO 31 97.218 -0.770 1.006 199 H GLY 32 H GLY 32 99.560 -1.067 -4.046 200 1HA GLY 32 1HA GLY 32 100.505 0.574 -5.559 201 2HA GLY 32 2HA GLY 32 100.369 1.762 -4.274 202 H VAL 33 H VAL 33 101.590 -1.471 -3.754 203 HA VAL 33 HA VAL 33 104.359 -0.519 -3.694 204 HB VAL 33 HB VAL 33 104.025 -2.223 -1.459 205 1HG1 VAL 33 1HG1 VAL 33 105.790 -0.526 -1.895 206 2HG1 VAL 33 2HG1 VAL 33 105.079 -0.428 -0.284 207 3HG1 VAL 33 3HG1 VAL 33 104.599 0.724 -1.529 208 1HG2 VAL 33 1HG2 VAL 33 102.022 -0.006 -1.661 209 2HG2 VAL 33 2HG2 VAL 33 102.678 -0.478 -0.099 210 3HG2 VAL 33 3HG2 VAL 33 101.798 -1.651 -1.073 211 H ASP 34 H ASP 34 105.714 -1.871 -4.582 212 HA ASP 34 HA ASP 34 105.087 -4.721 -4.681 213 1HB ASP 34 1HB ASP 34 104.201 -3.537 -6.759 214 2HB ASP 34 2HB ASP 34 105.887 -3.231 -7.182 215 H ARG 35 H ARG 35 106.869 -6.055 -4.979 216 HA ARG 35 HA ARG 35 109.230 -5.360 -3.777 217 1HB ARG 35 1HB ARG 35 109.199 -7.404 -5.975 218 2HB ARG 35 2HB ARG 35 110.100 -7.425 -4.466 219 1HG ARG 35 1HG ARG 35 107.446 -7.372 -3.663 220 2HG ARG 35 2HG ARG 35 107.461 -8.450 -5.063 221 1HD ARG 35 1HD ARG 35 109.581 -8.780 -3.008 222 2HD ARG 35 2HD ARG 35 107.954 -9.327 -2.615 223 HE ARG 35 HE ARG 35 108.486 -10.395 -5.081 224 1HH1 ARG 35 1HH1 ARG 35 109.989 -10.536 -1.933 225 2HH1 ARG 35 2HH1 ARG 35 110.626 -12.128 -2.172 226 1HH2 ARG 35 1HH2 ARG 35 109.323 -12.489 -5.394 227 2HH2 ARG 35 2HH2 ARG 35 110.249 -13.238 -4.136 228 H MET 36 H MET 36 108.281 -4.676 -7.036 229 HA MET 36 HA MET 36 110.720 -4.424 -8.321 230 1HB MET 36 1HB MET 36 108.122 -2.945 -8.614 231 2HB MET 36 2HB MET 36 109.509 -2.546 -9.619 232 1HG MET 36 1HG MET 36 109.436 -5.221 -9.937 233 2HG MET 36 2HG MET 36 107.721 -4.877 -9.691 234 1HE MET 36 1HE MET 36 110.682 -2.884 -11.689 235 2HE MET 36 2HE MET 36 110.356 -3.685 -13.226 236 3HE MET 36 3HE MET 36 110.800 -4.640 -11.811 237 H ARG 37 H ARG 37 109.061 -2.070 -6.249 238 HA ARG 37 HA ARG 37 111.601 -0.757 -5.737 239 1HB ARG 37 1HB ARG 37 110.239 1.502 -6.096 240 2HB ARG 37 2HB ARG 37 111.146 0.743 -7.396 241 1HG ARG 37 1HG ARG 37 108.367 -0.168 -7.126 242 2HG ARG 37 2HG ARG 37 108.566 1.528 -7.575 243 1HD ARG 37 1HD ARG 37 109.846 0.954 -9.496 244 2HD ARG 37 2HD ARG 37 109.983 -0.726 -8.979 245 HE ARG 37 HE ARG 37 107.911 -1.135 -9.865 246 1HH1 ARG 37 1HH1 ARG 37 108.371 2.314 -9.603 247 2HH1 ARG 37 2HH1 ARG 37 106.936 2.699 -10.492 248 1HH2 ARG 37 1HH2 ARG 37 106.024 -0.632 -11.035 249 2HH2 ARG 37 2HH2 ARG 37 105.603 1.027 -11.305 250 H LEU 38 H LEU 38 110.810 -2.024 -3.760 251 HA LEU 38 HA LEU 38 108.682 -0.825 -2.262 252 1HB LEU 38 1HB LEU 38 110.632 -3.038 -1.777 253 2HB LEU 38 2HB LEU 38 109.716 -2.375 -0.428 254 HG LEU 38 HG LEU 38 108.463 -3.489 -2.940 255 1HD1 LEU 38 1HD1 LEU 38 108.554 -5.544 -2.092 256 2HD1 LEU 38 2HD1 LEU 38 107.974 -4.992 -0.524 257 3HD1 LEU 38 3HD1 LEU 38 109.696 -4.930 -0.899 258 1HD2 LEU 38 1HD2 LEU 38 106.489 -2.853 -2.141 259 2HD2 LEU 38 2HD2 LEU 38 107.417 -1.748 -1.130 260 3HD2 LEU 38 3HD2 LEU 38 106.899 -3.307 -0.488 261 H GLU 39 H GLU 39 112.137 -0.440 -2.439 262 HA GLU 39 HA GLU 39 112.310 1.045 0.015 263 1HB GLU 39 1HB GLU 39 114.618 1.270 -0.408 264 2HB GLU 39 2HB GLU 39 114.190 -0.349 -0.940 265 1HG GLU 39 1HG GLU 39 114.333 1.962 -2.845 266 2HG GLU 39 2HG GLU 39 115.748 1.007 -2.416 267 H ARG 40 H ARG 40 110.664 1.830 -2.521 268 HA ARG 40 HA ARG 40 111.610 4.616 -2.625 269 1HB ARG 40 1HB ARG 40 111.256 2.819 -4.726 270 2HB ARG 40 2HB ARG 40 109.829 3.843 -4.786 271 1HG ARG 40 1HG ARG 40 112.044 5.546 -4.406 272 2HG ARG 40 2HG ARG 40 112.483 4.396 -5.670 273 1HD ARG 40 1HD ARG 40 110.852 5.132 -7.098 274 2HD ARG 40 2HD ARG 40 109.792 5.658 -5.790 275 HE ARG 40 HE ARG 40 111.710 7.237 -7.169 276 1HH1 ARG 40 1HH1 ARG 40 110.257 6.759 -4.032 277 2HH1 ARG 40 2HH1 ARG 40 110.519 8.394 -3.524 278 1HH2 ARG 40 1HH2 ARG 40 112.059 9.386 -6.499 279 2HH2 ARG 40 2HH2 ARG 40 111.546 9.885 -4.922 280 H HIS 41 H HIS 41 109.166 2.455 -1.773 281 HA HIS 41 HA HIS 41 107.004 4.378 -1.865 282 1HB HIS 41 1HB HIS 41 107.235 1.473 -1.106 283 2HB HIS 41 2HB HIS 41 105.766 2.394 -0.833 284 HD1 HIS 41 HD1 HIS 41 104.992 3.719 -3.217 285 HD2 HIS 41 HD2 HIS 41 107.154 0.180 -3.466 286 HE1 HIS 41 HE1 HIS 41 104.570 2.834 -5.530 287 HE2 HIS 41 HE2 HIS 41 105.814 0.648 -5.628 288 H LEU 42 H LEU 42 109.523 3.775 0.196 289 HA LEU 42 HA LEU 42 108.105 4.074 2.682 290 1HB LEU 42 1HB LEU 42 111.037 4.058 1.979 291 2HB LEU 42 2HB LEU 42 110.416 4.170 3.620 292 HG LEU 42 HG LEU 42 109.311 1.903 2.163 293 1HD1 LEU 42 1HD1 LEU 42 111.956 2.377 1.559 294 2HD1 LEU 42 2HD1 LEU 42 111.110 0.832 1.441 295 3HD1 LEU 42 3HD1 LEU 42 112.029 1.225 2.898 296 1HD2 LEU 42 1HD2 LEU 42 110.917 2.017 4.691 297 2HD2 LEU 42 2HD2 LEU 42 109.759 0.780 4.195 298 3HD2 LEU 42 3HD2 LEU 42 109.200 2.402 4.603 299 H SER 43 H SER 43 107.976 5.889 3.906 300 HA SER 43 HA SER 43 108.222 8.403 2.578 301 1HB SER 43 1HB SER 43 106.463 8.424 4.090 302 2HB SER 43 2HB SER 43 107.362 7.514 5.308 303 HG SER 43 HG SER 43 107.747 10.230 4.574 304 H ALA 44 H ALA 44 109.440 10.250 3.464 305 HA ALA 44 HA ALA 44 112.151 9.837 3.503 306 1HB ALA 44 1HB ALA 44 110.495 12.065 4.649 307 2HB ALA 44 2HB ALA 44 111.437 12.044 3.158 308 3HB ALA 44 3HB ALA 44 112.257 12.089 4.719 309 H GLU 45 H GLU 45 109.892 9.583 6.131 310 HA GLU 45 HA GLU 45 111.907 9.442 8.179 311 1HB GLU 45 1HB GLU 45 109.755 8.277 9.348 312 2HB GLU 45 2HB GLU 45 110.017 10.013 9.295 313 1HG GLU 45 1HG GLU 45 108.449 10.320 7.607 314 2HG GLU 45 2HG GLU 45 108.481 8.624 7.134 315 H ASP 46 H ASP 46 109.563 7.044 6.967 316 HA ASP 46 HA ASP 46 110.617 4.771 8.062 317 1HB ASP 46 1HB ASP 46 109.433 5.042 5.290 318 2HB ASP 46 2HB ASP 46 109.597 3.535 6.194 319 H PHE 47 H PHE 47 111.558 6.267 4.968 320 HA PHE 47 HA PHE 47 113.490 4.366 4.263 321 1HB PHE 47 1HB PHE 47 112.406 6.280 2.885 322 2HB PHE 47 2HB PHE 47 113.708 7.273 3.544 323 HD1 PHE 47 HD1 PHE 47 113.107 4.084 1.750 324 HD2 PHE 47 HD2 PHE 47 115.735 7.339 2.484 325 HE1 PHE 47 HE1 PHE 47 114.631 3.249 -0.010 326 HE2 PHE 47 HE2 PHE 47 117.262 6.521 0.733 327 HZ PHE 47 HZ PHE 47 116.706 4.478 -0.520 328 H SER 48 H SER 48 113.811 7.512 5.885 329 HA SER 48 HA SER 48 116.598 7.336 6.275 330 1HB SER 48 1HB SER 48 115.201 9.439 6.351 331 2HB SER 48 2HB SER 48 114.669 8.941 7.958 332 HG SER 48 HG SER 48 117.018 8.826 8.429 333 H ARG 49 H ARG 49 114.068 5.673 7.808 334 HA ARG 49 HA ARG 49 115.525 5.348 10.317 335 1HB ARG 49 1HB ARG 49 112.900 4.103 9.485 336 2HB ARG 49 2HB ARG 49 113.582 4.130 11.104 337 1HG ARG 49 1HG ARG 49 113.419 6.806 10.203 338 2HG ARG 49 2HG ARG 49 111.880 6.021 9.850 339 1HD ARG 49 1HD ARG 49 112.816 5.291 12.476 340 2HD ARG 49 2HD ARG 49 112.742 7.047 12.305 341 HE ARG 49 HE ARG 49 110.386 5.716 11.353 342 1HH1 ARG 49 1HH1 ARG 49 111.983 6.993 14.182 343 2HH1 ARG 49 2HH1 ARG 49 110.509 7.237 15.057 344 1HH2 ARG 49 1HH2 ARG 49 108.447 6.035 12.504 345 2HH2 ARG 49 2HH2 ARG 49 108.501 6.693 14.106 346 H VAL 50 H VAL 50 114.419 3.442 7.559 347 HA VAL 50 HA VAL 50 115.646 1.025 8.549 348 HB VAL 50 HB VAL 50 114.646 1.434 5.741 349 1HG1 VAL 50 1HG1 VAL 50 114.474 -0.873 5.639 350 2HG1 VAL 50 2HG1 VAL 50 114.457 -1.052 7.392 351 3HG1 VAL 50 3HG1 VAL 50 115.956 -0.630 6.564 352 1HG2 VAL 50 1HG2 VAL 50 113.026 2.050 7.757 353 2HG2 VAL 50 2HG2 VAL 50 112.835 0.298 7.794 354 3HG2 VAL 50 3HG2 VAL 50 112.462 1.193 6.321 355 H PHE 51 H PHE 51 116.421 3.512 6.173 356 HA PHE 51 HA PHE 51 118.897 2.062 5.529 357 1HB PHE 51 1HB PHE 51 117.517 4.287 4.020 358 2HB PHE 51 2HB PHE 51 119.017 3.501 3.528 359 HD1 PHE 51 HD1 PHE 51 115.650 3.622 2.905 360 HD2 PHE 51 HD2 PHE 51 118.757 0.798 3.544 361 HE1 PHE 51 HE1 PHE 51 114.363 1.936 1.649 362 HE2 PHE 51 HE2 PHE 51 117.482 -0.894 2.286 363 HZ PHE 51 HZ PHE 51 115.290 -0.319 1.335 364 H ALA 52 H ALA 52 117.664 5.159 6.674 365 HA ALA 52 HA ALA 52 118.708 6.789 7.914 366 1HB ALA 52 1HB ALA 52 121.329 5.373 7.618 367 2HB ALA 52 2HB ALA 52 120.106 4.815 8.760 368 3HB ALA 52 3HB ALA 52 120.787 6.435 8.917 369 H MET 53 H MET 53 118.817 6.348 4.857 370 HA MET 53 HA MET 53 120.581 8.630 4.298 371 1HB MET 53 1HB MET 53 120.696 7.220 1.975 372 2HB MET 53 2HB MET 53 121.936 7.211 3.225 373 1HG MET 53 1HG MET 53 121.403 5.125 3.943 374 2HG MET 53 2HG MET 53 119.701 5.288 3.503 375 1HE MET 53 1HE MET 53 118.951 5.558 1.068 376 2HE MET 53 2HE MET 53 119.752 4.810 -0.314 377 3HE MET 53 3HE MET 53 120.316 6.362 0.291 378 H SER 54 H SER 54 120.052 9.730 2.290 379 HA SER 54 HA SER 54 117.280 10.320 2.199 380 1HB SER 54 1HB SER 54 119.671 11.198 0.592 381 2HB SER 54 2HB SER 54 118.038 11.759 0.206 382 HG SER 54 HG SER 54 117.973 12.391 2.521 383 HA PRO 55 HA PRO 55 115.689 7.430 -0.774 384 1HB PRO 55 1HB PRO 55 114.302 9.836 -1.866 385 2HB PRO 55 2HB PRO 55 113.634 8.261 -1.422 386 1HG PRO 55 1HG PRO 55 113.285 10.392 0.149 387 2HG PRO 55 2HG PRO 55 113.558 8.777 0.834 388 1HD PRO 55 1HD PRO 55 115.416 11.097 0.653 389 2HD PRO 55 2HD PRO 55 115.306 9.827 1.891 390 H GLU 56 H GLU 56 117.049 10.528 -1.634 391 HA GLU 56 HA GLU 56 117.481 9.837 -4.399 392 1HB GLU 56 1HB GLU 56 118.504 11.985 -4.607 393 2HB GLU 56 2HB GLU 56 117.105 12.185 -3.556 394 1HG GLU 56 1HG GLU 56 118.966 11.749 -1.694 395 2HG GLU 56 2HG GLU 56 119.984 12.448 -2.956 396 H GLU 57 H GLU 57 119.241 9.820 -1.379 397 HA GLU 57 HA GLU 57 121.840 9.504 -2.293 398 1HB GLU 57 1HB GLU 57 120.413 8.776 0.234 399 2HB GLU 57 2HB GLU 57 121.939 7.963 -0.086 400 1HG GLU 57 1HG GLU 57 121.649 10.943 -0.197 401 2HG GLU 57 2HG GLU 57 122.042 10.072 1.285 402 H PHE 58 H PHE 58 119.450 6.946 -1.552 403 HA PHE 58 HA PHE 58 120.845 4.666 -2.151 404 1HB PHE 58 1HB PHE 58 118.235 5.233 -1.659 405 2HB PHE 58 2HB PHE 58 118.138 4.826 -3.370 406 HD1 PHE 58 HD1 PHE 58 118.367 3.565 -0.025 407 HD2 PHE 58 HD2 PHE 58 118.991 2.564 -4.114 408 HE1 PHE 58 HE1 PHE 58 118.297 1.182 0.558 409 HE2 PHE 58 HE2 PHE 58 118.917 0.173 -3.537 410 HZ PHE 58 HZ PHE 58 118.571 -0.523 -1.201 411 H GLY 59 H GLY 59 118.849 6.370 -4.584 412 1HA GLY 59 1HA GLY 59 119.701 4.960 -6.810 413 2HA GLY 59 2HA GLY 59 119.122 6.618 -6.851 414 H LYS 60 H LYS 60 121.409 7.396 -5.027 415 HA LYS 60 HA LYS 60 123.375 7.690 -7.174 416 1HB LYS 60 1HB LYS 60 122.522 9.326 -4.890 417 2HB LYS 60 2HB LYS 60 124.267 9.280 -5.125 418 1HG LYS 60 1HG LYS 60 123.990 10.900 -6.613 419 2HG LYS 60 2HG LYS 60 123.271 9.681 -7.673 420 1HD LYS 60 1HD LYS 60 121.452 10.983 -7.656 421 2HD LYS 60 2HD LYS 60 121.179 10.360 -6.027 422 1HE LYS 60 1HE LYS 60 123.057 12.609 -6.174 423 2HE LYS 60 2HE LYS 60 121.412 12.997 -6.677 424 1HZ LYS 60 1HZ LYS 60 121.053 13.267 -4.504 425 2HZ LYS 60 2HZ LYS 60 122.437 12.409 -4.049 426 3HZ LYS 60 3HZ LYS 60 121.012 11.577 -4.422 427 H LEU 61 H LEU 61 122.888 5.566 -4.727 428 HA LEU 61 HA LEU 61 125.521 5.475 -3.627 429 1HB LEU 61 1HB LEU 61 123.152 3.605 -3.464 430 2HB LEU 61 2HB LEU 61 124.625 3.402 -2.543 431 HG LEU 61 HG LEU 61 122.540 5.513 -2.248 432 1HD1 LEU 61 1HD1 LEU 61 123.219 4.657 0.210 433 2HD1 LEU 61 2HD1 LEU 61 123.532 3.208 -0.744 434 3HD1 LEU 61 3HD1 LEU 61 121.935 3.952 -0.771 435 1HD2 LEU 61 1HD2 LEU 61 124.261 6.306 -0.411 436 2HD2 LEU 61 2HD2 LEU 61 124.322 6.934 -2.058 437 3HD2 LEU 61 3HD2 LEU 61 125.427 5.653 -1.561 438 H ALA 62 H ALA 62 125.436 2.467 -3.741 439 HA ALA 62 HA ALA 62 126.335 2.087 -6.510 440 1HB ALA 62 1HB ALA 62 127.677 0.814 -4.144 441 2HB ALA 62 2HB ALA 62 128.207 2.344 -4.840 442 3HB ALA 62 3HB ALA 62 128.239 0.874 -5.813 443 H LEU 63 H LEU 63 126.634 -0.339 -6.980 444 HA LEU 63 HA LEU 63 124.115 -1.597 -6.636 445 1HB LEU 63 1HB LEU 63 125.769 -1.812 -8.568 446 2HB LEU 63 2HB LEU 63 126.629 -2.958 -7.557 447 HG LEU 63 HG LEU 63 123.842 -3.658 -7.663 448 1HD1 LEU 63 1HD1 LEU 63 125.208 -3.144 -10.282 449 2HD1 LEU 63 2HD1 LEU 63 123.591 -2.665 -9.763 450 3HD1 LEU 63 3HD1 LEU 63 123.941 -4.359 -10.113 451 1HD2 LEU 63 1HD2 LEU 63 126.142 -4.942 -7.277 452 2HD2 LEU 63 2HD2 LEU 63 125.928 -5.278 -8.996 453 3HD2 LEU 63 3HD2 LEU 63 124.683 -5.755 -7.841 454 H TRP 64 H TRP 64 127.138 -1.815 -4.922 455 HA TRP 64 HA TRP 64 126.405 -4.237 -3.536 456 1HB TRP 64 1HB TRP 64 128.560 -3.721 -2.313 457 2HB TRP 64 2HB TRP 64 128.731 -3.944 -4.060 458 HD1 TRP 64 HD1 TRP 64 129.646 -1.909 -5.423 459 HE1 TRP 64 HE1 TRP 64 130.408 0.461 -4.791 460 HE3 TRP 64 HE3 TRP 64 127.922 -1.833 -0.736 461 HZ2 TRP 64 HZ2 TRP 64 130.281 2.149 -2.476 462 HZ3 TRP 64 HZ3 TRP 64 128.276 0.195 0.660 463 HH2 TRP 64 HH2 TRP 64 129.416 2.136 -0.208 464 H LYS 65 H LYS 65 126.486 -0.799 -3.149 465 HA LYS 65 HA LYS 65 125.887 -0.747 -0.356 466 1HB LYS 65 1HB LYS 65 126.786 1.136 -2.005 467 2HB LYS 65 2HB LYS 65 125.066 1.495 -2.141 468 1HG LYS 65 1HG LYS 65 124.879 2.017 0.135 469 2HG LYS 65 2HG LYS 65 126.432 1.264 0.519 470 1HD LYS 65 1HD LYS 65 127.534 3.006 -0.887 471 2HD LYS 65 2HD LYS 65 125.963 3.801 -1.040 472 1HE LYS 65 1HE LYS 65 125.877 4.319 1.245 473 2HE LYS 65 2HE LYS 65 127.149 3.155 1.643 474 1HZ LYS 65 1HZ LYS 65 127.575 5.766 1.405 475 2HZ LYS 65 2HZ LYS 65 127.895 5.289 -0.185 476 3HZ LYS 65 3HZ LYS 65 128.765 4.604 1.093 477 H ARG 66 H ARG 66 123.899 0.085 -3.201 478 HA ARG 66 HA ARG 66 121.432 0.304 -2.033 479 1HB ARG 66 1HB ARG 66 122.133 -0.929 -4.697 480 2HB ARG 66 2HB ARG 66 120.505 -0.467 -4.220 481 1HG ARG 66 1HG ARG 66 121.259 1.849 -3.954 482 2HG ARG 66 2HG ARG 66 122.866 1.363 -4.496 483 1HD ARG 66 1HD ARG 66 120.585 0.648 -6.241 484 2HD ARG 66 2HD ARG 66 121.013 2.363 -6.139 485 HE ARG 66 HE ARG 66 123.390 1.210 -6.608 486 1HH1 ARG 66 1HH1 ARG 66 120.290 0.857 -8.170 487 2HH1 ARG 66 2HH1 ARG 66 120.972 0.478 -9.715 488 1HH2 ARG 66 1HH2 ARG 66 124.288 0.713 -8.641 489 2HH2 ARG 66 2HH2 ARG 66 123.242 0.395 -9.982 490 H ASN 67 H ASN 67 123.080 -2.608 -3.085 491 HA ASN 67 HA ASN 67 121.025 -4.448 -2.527 492 1HB ASN 67 1HB ASN 67 123.921 -4.564 -3.043 493 2HB ASN 67 2HB ASN 67 123.310 -5.891 -2.053 494 1HD2 ASN 67 1HD2 ASN 67 122.791 -4.158 -5.081 495 2HD2 ASN 67 2HD2 ASN 67 122.150 -5.506 -5.951 496 H GLU 68 H GLU 68 123.970 -3.985 -0.582 497 HA GLU 68 HA GLU 68 123.320 -5.311 1.677 498 1HB GLU 68 1HB GLU 68 124.872 -2.772 1.289 499 2HB GLU 68 2HB GLU 68 124.673 -3.469 2.891 500 1HG GLU 68 1HG GLU 68 125.552 -5.638 1.752 501 2HG GLU 68 2HG GLU 68 126.175 -4.518 0.541 502 H LEU 69 H LEU 69 122.249 -2.041 0.836 503 HA LEU 69 HA LEU 69 121.024 -1.456 3.305 504 1HB LEU 69 1HB LEU 69 120.112 -0.461 0.618 505 2HB LEU 69 2HB LEU 69 119.885 0.306 2.177 506 HG LEU 69 HG LEU 69 122.639 -0.178 1.264 507 1HD1 LEU 69 1HD1 LEU 69 122.609 1.231 -0.453 508 2HD1 LEU 69 2HD1 LEU 69 121.647 2.404 0.439 509 3HD1 LEU 69 3HD1 LEU 69 120.855 1.082 -0.408 510 1HD2 LEU 69 1HD2 LEU 69 122.788 0.821 3.284 511 2HD2 LEU 69 2HD2 LEU 69 121.200 1.575 3.140 512 3HD2 LEU 69 3HD2 LEU 69 122.589 2.285 2.319 513 H LYS 70 H LYS 70 119.486 -2.327 0.243 514 HA LYS 70 HA LYS 70 116.939 -2.938 1.269 515 1HB LYS 70 1HB LYS 70 118.468 -3.688 -1.188 516 2HB LYS 70 2HB LYS 70 116.976 -4.544 -0.831 517 1HG LYS 70 1HG LYS 70 115.680 -2.777 -1.341 518 2HG LYS 70 2HG LYS 70 116.822 -1.612 -0.662 519 1HD LYS 70 1HD LYS 70 116.950 -1.130 -2.914 520 2HD LYS 70 2HD LYS 70 118.282 -2.271 -2.723 521 1HE LYS 70 1HE LYS 70 116.672 -4.086 -3.401 522 2HE LYS 70 2HE LYS 70 115.531 -2.810 -3.821 523 1HZ LYS 70 1HZ LYS 70 118.262 -2.977 -4.962 524 2HZ LYS 70 2HZ LYS 70 116.983 -2.000 -5.483 525 3HZ LYS 70 3HZ LYS 70 116.908 -3.677 -5.699 526 H LYS 71 H LYS 71 119.928 -4.627 1.374 527 HA LYS 71 HA LYS 71 118.800 -7.207 1.978 528 1HB LYS 71 1HB LYS 71 121.597 -6.077 1.846 529 2HB LYS 71 2HB LYS 71 121.286 -7.707 2.448 530 1HG LYS 71 1HG LYS 71 120.388 -8.381 0.344 531 2HG LYS 71 2HG LYS 71 120.410 -6.719 -0.254 532 1HD LYS 71 1HD LYS 71 122.775 -6.681 -0.334 533 2HD LYS 71 2HD LYS 71 122.906 -8.158 0.622 534 1HE LYS 71 1HE LYS 71 121.592 -8.095 -2.078 535 2HE LYS 71 2HE LYS 71 123.323 -8.359 -1.879 536 1HZ LYS 71 1HZ LYS 71 121.855 -10.401 -2.032 537 2HZ LYS 71 2HZ LYS 71 121.320 -10.021 -0.472 538 3HZ LYS 71 3HZ LYS 71 122.956 -10.355 -0.747 539 H LYS 72 H LYS 72 120.086 -4.464 3.722 540 HA LYS 72 HA LYS 72 119.997 -5.900 6.254 541 1HB LYS 72 1HB LYS 72 121.954 -4.536 5.963 542 2HB LYS 72 2HB LYS 72 120.981 -3.146 5.506 543 1HG LYS 72 1HG LYS 72 120.202 -4.090 8.108 544 2HG LYS 72 2HG LYS 72 121.944 -3.799 8.048 545 1HD LYS 72 1HD LYS 72 121.465 -1.644 8.392 546 2HD LYS 72 2HD LYS 72 120.867 -1.614 6.732 547 1HE LYS 72 1HE LYS 72 119.164 -0.704 8.138 548 2HE LYS 72 2HE LYS 72 118.630 -2.299 7.608 549 1HZ LYS 72 1HZ LYS 72 119.231 -3.215 9.719 550 2HZ LYS 72 2HZ LYS 72 118.245 -1.869 9.991 551 3HZ LYS 72 3HZ LYS 72 119.915 -1.754 10.227 552 H ALA 73 H ALA 73 118.267 -3.659 4.341 553 HA ALA 73 HA ALA 73 116.611 -2.591 6.428 554 1HB ALA 73 1HB ALA 73 116.884 -2.296 3.501 555 2HB ALA 73 2HB ALA 73 116.703 -1.063 4.749 556 3HB ALA 73 3HB ALA 73 115.293 -1.960 4.181 557 H GLU 74 H GLU 74 116.786 -5.590 5.148 558 HA GLU 74 HA GLU 74 115.418 -7.392 5.222 559 1HB GLU 74 1HB GLU 74 114.126 -5.493 6.966 560 2HB GLU 74 2HB GLU 74 112.923 -6.444 6.108 561 1HG GLU 74 1HG GLU 74 113.281 -7.705 7.991 562 2HG GLU 74 2HG GLU 74 114.377 -8.463 6.836 563 H LEU 75 H LEU 75 115.266 -5.025 3.136 564 HA LEU 75 HA LEU 75 113.114 -6.301 1.638 565 1HB LEU 75 1HB LEU 75 113.032 -3.716 0.692 566 2HB LEU 75 2HB LEU 75 111.837 -4.502 1.718 567 HG LEU 75 HG LEU 75 113.701 -3.545 3.500 568 1HD1 LEU 75 1HD1 LEU 75 114.910 -2.204 2.000 569 2HD1 LEU 75 2HD1 LEU 75 113.801 -1.098 2.814 570 3HD1 LEU 75 3HD1 LEU 75 113.444 -1.664 1.178 571 1HD2 LEU 75 1HD2 LEU 75 111.877 -1.641 3.654 572 2HD2 LEU 75 2HD2 LEU 75 111.511 -3.301 4.123 573 3HD2 LEU 75 3HD2 LEU 75 111.015 -2.704 2.540 574 H PHE 76 H PHE 76 115.079 -7.433 0.854 575 HA PHE 76 HA PHE 76 116.063 -6.006 -1.529 576 1HB PHE 76 1HB PHE 76 118.072 -6.112 -0.398 577 2HB PHE 76 2HB PHE 76 117.635 -7.587 0.469 578 HD1 PHE 76 HD1 PHE 76 118.704 -6.245 -2.809 579 HD2 PHE 76 HD2 PHE 76 118.286 -9.698 -0.355 580 HE1 PHE 76 HE1 PHE 76 120.004 -7.553 -4.437 581 HE2 PHE 76 HE2 PHE 76 119.589 -11.013 -1.978 582 HZ PHE 76 HZ PHE 76 120.449 -9.941 -4.023 Start of MODEL 17 1 HT1 PRO 9 HT1 PRO 9 101.752 14.331 -6.086 2 HT2 PRO 9 HT2 PRO 9 103.384 14.392 -6.294 3 HA PRO 9 HA PRO 9 101.337 13.750 -8.042 4 1HB PRO 9 1HB PRO 9 103.302 14.880 -9.743 5 2HB PRO 9 2HB PRO 9 101.615 15.379 -9.564 6 1HG PRO 9 1HG PRO 9 104.058 16.471 -8.274 7 2HG PRO 9 2HG PRO 9 102.564 17.300 -8.744 8 1HD PRO 9 1HD PRO 9 103.076 16.779 -6.181 9 2HD PRO 9 2HD PRO 9 101.432 16.612 -6.823 10 H GLY 10 H GLY 10 103.026 12.378 -6.276 11 1HA GLY 10 1HA GLY 10 104.943 11.096 -8.124 12 2HA GLY 10 2HA GLY 10 105.179 11.189 -6.387 13 H LEU 11 H LEU 11 104.970 9.303 -5.489 14 HA LEU 11 HA LEU 11 102.861 7.500 -6.464 15 1HB LEU 11 1HB LEU 11 104.490 5.778 -5.257 16 2HB LEU 11 2HB LEU 11 104.635 6.195 -6.953 17 HG LEU 11 HG LEU 11 106.271 8.056 -5.889 18 1HD1 LEU 11 1HD1 LEU 11 105.715 6.798 -3.631 19 2HD1 LEU 11 2HD1 LEU 11 107.324 7.443 -3.964 20 3HD1 LEU 11 3HD1 LEU 11 106.995 5.726 -4.201 21 1HD2 LEU 11 1HD2 LEU 11 107.997 6.844 -6.815 22 2HD2 LEU 11 2HD2 LEU 11 106.592 6.150 -7.627 23 3HD2 LEU 11 3HD2 LEU 11 107.340 5.298 -6.275 24 H GLN 12 H GLN 12 102.088 5.940 -4.793 25 HA GLN 12 HA GLN 12 101.345 7.401 -2.437 26 1HB GLN 12 1HB GLN 12 100.423 4.870 -1.960 27 2HB GLN 12 2HB GLN 12 99.536 6.122 -2.811 28 1HG GLN 12 1HG GLN 12 101.344 4.275 -4.309 29 2HG GLN 12 2HG GLN 12 99.730 3.756 -3.828 30 1HE2 GLN 12 1HE2 GLN 12 101.333 4.805 -6.368 31 2HE2 GLN 12 2HE2 GLN 12 100.120 5.732 -7.177 32 H ILE 13 H ILE 13 102.325 7.431 -0.561 33 HA ILE 13 HA ILE 13 104.508 5.556 -0.051 34 HB ILE 13 HB ILE 13 103.841 7.904 1.689 35 1HG1 ILE 13 1HG1 ILE 13 103.963 8.611 -0.737 36 2HG1 ILE 13 2HG1 ILE 13 105.143 9.367 0.329 37 1HG2 ILE 13 1HG2 ILE 13 106.379 7.865 1.885 38 2HG2 ILE 13 2HG2 ILE 13 106.299 6.294 1.092 39 3HG2 ILE 13 3HG2 ILE 13 105.494 6.540 2.642 40 1HD1 ILE 13 1HD1 ILE 13 105.678 7.052 -1.514 41 2HD1 ILE 13 2HD1 ILE 13 106.855 7.836 -0.460 42 3HD1 ILE 13 3HD1 ILE 13 106.133 8.732 -1.797 43 H TYR 14 H TYR 14 104.403 4.006 1.493 44 HA TYR 14 HA TYR 14 102.190 4.134 3.432 45 1HB TYR 14 1HB TYR 14 103.020 1.427 2.613 46 2HB TYR 14 2HB TYR 14 101.410 2.073 2.913 47 HD1 TYR 14 HD1 TYR 14 104.147 2.067 0.399 48 HD2 TYR 14 HD2 TYR 14 99.978 2.518 1.113 49 HE1 TYR 14 HE1 TYR 14 103.743 2.095 -2.024 50 HE2 TYR 14 HE2 TYR 14 99.562 2.552 -1.311 51 HH TYR 14 HH TYR 14 102.192 2.618 -3.631 52 HA PRO 15 HA PRO 15 104.821 2.973 6.781 53 1HB PRO 15 1HB PRO 15 103.576 0.271 6.949 54 2HB PRO 15 2HB PRO 15 103.757 1.509 8.202 55 1HG PRO 15 1HG PRO 15 101.392 1.072 7.071 56 2HG PRO 15 2HG PRO 15 101.923 2.722 7.448 57 1HD PRO 15 1HD PRO 15 101.852 1.306 4.813 58 2HD PRO 15 2HD PRO 15 101.476 3.001 5.196 59 H TYR 16 H TYR 16 106.564 1.497 7.484 60 HA TYR 16 HA TYR 16 107.903 0.354 5.193 61 1HB TYR 16 1HB TYR 16 109.365 1.591 6.517 62 2HB TYR 16 2HB TYR 16 108.666 0.999 8.021 63 HD1 TYR 16 HD1 TYR 16 110.743 -0.042 5.118 64 HD2 TYR 16 HD2 TYR 16 109.614 -0.779 9.143 65 HE1 TYR 16 HE1 TYR 16 112.543 -1.713 5.292 66 HE2 TYR 16 HE2 TYR 16 111.411 -2.453 9.351 67 HH TYR 16 HH TYR 16 113.925 -2.726 7.188 68 H GLU 17 H GLU 17 107.104 -0.808 8.478 69 HA GLU 17 HA GLU 17 107.712 -3.492 8.143 70 1HB GLU 17 1HB GLU 17 106.050 -3.924 9.939 71 2HB GLU 17 2HB GLU 17 107.141 -2.597 10.316 72 1HG GLU 17 1HG GLU 17 104.669 -1.771 8.990 73 2HG GLU 17 2HG GLU 17 104.434 -2.530 10.568 74 H MET 18 H MET 18 105.045 -1.672 6.884 75 HA MET 18 HA MET 18 103.509 -4.021 6.144 76 1HB MET 18 1HB MET 18 102.745 -1.517 6.762 77 2HB MET 18 2HB MET 18 102.864 -1.350 5.017 78 1HG MET 18 1HG MET 18 100.803 -2.140 4.915 79 2HG MET 18 2HG MET 18 101.474 -3.711 5.357 80 1HE MET 18 1HE MET 18 99.770 -4.700 8.255 81 2HE MET 18 2HE MET 18 100.391 -4.968 6.626 82 3HE MET 18 3HE MET 18 98.756 -4.350 6.855 83 H LEU 19 H LEU 19 105.785 -1.797 4.758 84 HA LEU 19 HA LEU 19 105.308 -2.659 2.036 85 1HB LEU 19 1HB LEU 19 107.094 -0.669 3.369 86 2HB LEU 19 2HB LEU 19 107.418 -1.159 1.714 87 HG LEU 19 HG LEU 19 104.847 0.083 2.695 88 1HD1 LEU 19 1HD1 LEU 19 107.015 1.494 2.577 89 2HD1 LEU 19 2HD1 LEU 19 105.544 2.110 1.824 90 3HD1 LEU 19 3HD1 LEU 19 106.800 1.369 0.831 91 1HD2 LEU 19 1HD2 LEU 19 104.050 -0.930 0.872 92 2HD2 LEU 19 2HD2 LEU 19 105.658 -1.237 0.220 93 3HD2 LEU 19 3HD2 LEU 19 104.904 0.339 -0.006 94 H VAL 20 H VAL 20 107.242 -3.656 4.667 95 HA VAL 20 HA VAL 20 109.608 -4.518 3.581 96 HB VAL 20 HB VAL 20 108.065 -6.287 5.469 97 1HG1 VAL 20 1HG1 VAL 20 110.452 -6.349 6.464 98 2HG1 VAL 20 2HG1 VAL 20 110.940 -5.765 4.875 99 3HG1 VAL 20 3HG1 VAL 20 110.091 -7.304 5.025 100 1HG2 VAL 20 1HG2 VAL 20 109.422 -3.672 6.048 101 2HG2 VAL 20 2HG2 VAL 20 109.058 -4.874 7.285 102 3HG2 VAL 20 3HG2 VAL 20 107.754 -4.131 6.368 103 H VAL 21 H VAL 21 110.256 -6.818 2.986 104 HA VAL 21 HA VAL 21 108.316 -7.763 1.003 105 HB VAL 21 HB VAL 21 111.243 -8.441 1.210 106 1HG1 VAL 21 1HG1 VAL 21 110.700 -8.745 -1.362 107 2HG1 VAL 21 2HG1 VAL 21 109.083 -9.055 -0.729 108 3HG1 VAL 21 3HG1 VAL 21 110.444 -10.042 -0.193 109 1HG2 VAL 21 1HG2 VAL 21 109.943 -6.341 -0.515 110 2HG2 VAL 21 2HG2 VAL 21 111.659 -6.733 -0.441 111 3HG2 VAL 21 3HG2 VAL 21 110.860 -6.007 0.956 112 H THR 22 H THR 22 110.869 -9.419 2.882 113 HA THR 22 HA THR 22 109.058 -11.720 3.089 114 HB THR 22 HB THR 22 112.061 -11.508 3.202 115 HG1 THR 22 HG1 THR 22 111.971 -12.281 1.250 116 1HG2 THR 22 1HG2 THR 22 110.502 -13.481 4.487 117 2HG2 THR 22 2HG2 THR 22 112.250 -13.435 4.260 118 3HG2 THR 22 3HG2 THR 22 111.223 -14.210 3.053 119 H ASN 23 H ASN 23 111.807 -10.700 5.026 120 HA ASN 23 HA ASN 23 111.526 -11.697 7.399 121 1HB ASN 23 1HB ASN 23 111.758 -8.698 7.196 122 2HB ASN 23 2HB ASN 23 112.449 -9.751 8.431 123 1HD2 ASN 23 1HD2 ASN 23 112.604 -8.817 5.050 124 2HD2 ASN 23 2HD2 ASN 23 114.240 -9.319 4.796 125 H LYS 24 H LYS 24 109.419 -8.980 6.446 126 HA LYS 24 HA LYS 24 107.840 -9.448 8.868 127 1HB LYS 24 1HB LYS 24 108.406 -7.119 7.184 128 2HB LYS 24 2HB LYS 24 106.715 -7.255 7.659 129 1HG LYS 24 1HG LYS 24 107.495 -6.051 9.415 130 2HG LYS 24 2HG LYS 24 107.802 -7.674 10.036 131 1HD LYS 24 1HD LYS 24 109.869 -6.139 8.485 132 2HD LYS 24 2HD LYS 24 109.691 -5.965 10.231 133 1HE LYS 24 1HE LYS 24 109.739 -8.743 9.557 134 2HE LYS 24 2HE LYS 24 111.117 -7.941 8.805 135 1HZ LYS 24 1HZ LYS 24 110.498 -8.311 11.637 136 2HZ LYS 24 2HZ LYS 24 111.295 -6.887 11.194 137 3HZ LYS 24 3HZ LYS 24 111.987 -8.389 10.837 138 H GLY 25 H GLY 25 107.614 -9.619 5.369 139 1HA GLY 25 1HA GLY 25 105.096 -11.062 5.674 140 2HA GLY 25 2HA GLY 25 105.037 -9.596 4.712 141 H ARG 26 H ARG 26 104.721 -10.314 2.703 142 HA ARG 26 HA ARG 26 106.785 -12.044 1.544 143 1HB ARG 26 1HB ARG 26 105.077 -13.608 1.883 144 2HB ARG 26 2HB ARG 26 103.819 -12.459 1.471 145 1HG ARG 26 1HG ARG 26 105.534 -12.824 -0.786 146 2HG ARG 26 2HG ARG 26 105.014 -14.395 -0.174 147 1HD ARG 26 1HD ARG 26 102.748 -12.756 -0.089 148 2HD ARG 26 2HD ARG 26 103.524 -12.417 -1.630 149 HE ARG 26 HE ARG 26 102.965 -14.521 -2.352 150 1HH1 ARG 26 1HH1 ARG 26 102.532 -14.344 1.107 151 2HH1 ARG 26 2HH1 ARG 26 101.736 -15.879 1.210 152 1HH2 ARG 26 1HH2 ARG 26 101.918 -16.538 -2.217 153 2HH2 ARG 26 2HH2 ARG 26 101.388 -17.124 -0.676 154 H THR 27 H THR 27 103.831 -10.944 -0.022 155 HA THR 27 HA THR 27 105.240 -8.761 -1.291 156 HB THR 27 HB THR 27 104.420 -11.266 -2.619 157 HG1 THR 27 HG1 THR 27 106.595 -10.575 -2.465 158 1HG2 THR 27 1HG2 THR 27 102.820 -9.876 -3.685 159 2HG2 THR 27 2HG2 THR 27 104.150 -10.163 -4.810 160 3HG2 THR 27 3HG2 THR 27 104.023 -8.614 -3.966 161 H LYS 28 H LYS 28 102.986 -9.416 0.542 162 HA LYS 28 HA LYS 28 100.528 -8.660 -0.633 163 1HB LYS 28 1HB LYS 28 101.354 -8.431 2.234 164 2HB LYS 28 2HB LYS 28 99.718 -8.643 1.616 165 1HG LYS 28 1HG LYS 28 100.073 -10.788 2.197 166 2HG LYS 28 2HG LYS 28 100.881 -10.856 0.629 167 1HD LYS 28 1HD LYS 28 102.252 -11.864 2.388 168 2HD LYS 28 2HD LYS 28 103.036 -10.435 1.707 169 1HE LYS 28 1HE LYS 28 103.193 -9.580 3.752 170 2HE LYS 28 2HE LYS 28 101.433 -9.561 3.865 171 1HZ LYS 28 1HZ LYS 28 101.421 -11.671 4.872 172 2HZ LYS 28 2HZ LYS 28 102.646 -10.811 5.658 173 3HZ LYS 28 3HZ LYS 28 103.043 -11.968 4.489 174 H LEU 29 H LEU 29 102.507 -6.821 -1.353 175 HA LEU 29 HA LEU 29 102.731 -4.515 0.132 176 1HB LEU 29 1HB LEU 29 102.994 -5.293 -2.691 177 2HB LEU 29 2HB LEU 29 102.774 -3.586 -2.404 178 HG LEU 29 HG LEU 29 105.080 -3.947 -2.566 179 1HD1 LEU 29 1HD1 LEU 29 104.505 -2.450 -0.761 180 2HD1 LEU 29 2HD1 LEU 29 105.924 -3.397 -0.320 181 3HD1 LEU 29 3HD1 LEU 29 104.354 -3.805 0.354 182 1HD2 LEU 29 1HD2 LEU 29 106.017 -5.617 -0.706 183 2HD2 LEU 29 2HD2 LEU 29 105.626 -6.111 -2.354 184 3HD2 LEU 29 3HD2 LEU 29 104.470 -6.386 -1.051 185 HA PRO 30 HA PRO 30 98.818 -2.442 0.035 186 1HB PRO 30 1HB PRO 30 100.408 0.002 -0.540 187 2HB PRO 30 2HB PRO 30 99.262 -0.310 0.771 188 1HG PRO 30 1HG PRO 30 101.905 -0.244 1.208 189 2HG PRO 30 2HG PRO 30 100.841 -1.365 2.082 190 1HD PRO 30 1HD PRO 30 102.731 -1.903 -0.163 191 2HD PRO 30 2HD PRO 30 102.289 -2.929 1.216 192 HA PRO 31 HA PRO 31 97.744 -1.503 -4.154 193 1HB PRO 31 1HB PRO 31 97.023 1.312 -3.754 194 2HB PRO 31 2HB PRO 31 95.988 -0.068 -4.141 195 1HG PRO 31 1HG PRO 31 95.937 1.137 -1.727 196 2HG PRO 31 2HG PRO 31 95.645 -0.600 -1.926 197 1HD PRO 31 1HD PRO 31 98.126 0.814 -1.020 198 2HD PRO 31 2HD PRO 31 97.389 -0.680 -0.400 199 H GLY 32 H GLY 32 99.513 -1.518 -5.470 200 1HA GLY 32 1HA GLY 32 100.758 -0.427 -7.133 201 2HA GLY 32 2HA GLY 32 100.550 1.084 -6.270 202 H VAL 33 H VAL 33 101.927 -2.009 -5.101 203 HA VAL 33 HA VAL 33 104.524 -0.660 -4.897 204 HB VAL 33 HB VAL 33 104.166 -2.478 -2.709 205 1HG1 VAL 33 1HG1 VAL 33 105.743 -0.392 -3.326 206 2HG1 VAL 33 2HG1 VAL 33 105.563 -1.071 -1.713 207 3HG1 VAL 33 3HG1 VAL 33 104.627 0.348 -2.181 208 1HG2 VAL 33 1HG2 VAL 33 102.775 -0.500 -1.529 209 2HG2 VAL 33 2HG2 VAL 33 102.046 -1.972 -2.165 210 3HG2 VAL 33 3HG2 VAL 33 102.041 -0.495 -3.130 211 H ASP 34 H ASP 34 106.176 -1.759 -5.602 212 HA ASP 34 HA ASP 34 106.031 -4.683 -5.739 213 1HB ASP 34 1HB ASP 34 105.395 -3.774 -7.960 214 2HB ASP 34 2HB ASP 34 106.935 -2.917 -8.028 215 H ARG 35 H ARG 35 108.037 -5.732 -5.635 216 HA ARG 35 HA ARG 35 109.975 -4.581 -4.025 217 1HB ARG 35 1HB ARG 35 109.734 -7.048 -5.606 218 2HB ARG 35 2HB ARG 35 111.388 -6.540 -5.296 219 1HG ARG 35 1HG ARG 35 110.971 -7.898 -3.496 220 2HG ARG 35 2HG ARG 35 110.575 -6.306 -2.838 221 1HD ARG 35 1HD ARG 35 108.697 -7.374 -2.179 222 2HD ARG 35 2HD ARG 35 108.174 -6.989 -3.817 223 HE ARG 35 HE ARG 35 109.006 -9.603 -2.810 224 1HH1 ARG 35 1HH1 ARG 35 107.882 -7.665 -5.493 225 2HH1 ARG 35 2HH1 ARG 35 107.443 -9.035 -6.454 226 1HH2 ARG 35 1HH2 ARG 35 108.430 -11.397 -4.079 227 2HH2 ARG 35 2HH2 ARG 35 107.754 -11.149 -5.654 228 H MET 36 H MET 36 109.549 -4.270 -7.432 229 HA MET 36 HA MET 36 112.080 -3.844 -8.404 230 1HB MET 36 1HB MET 36 109.409 -2.696 -9.076 231 2HB MET 36 2HB MET 36 110.836 -1.993 -9.826 232 1HG MET 36 1HG MET 36 111.195 -4.714 -10.142 233 2HG MET 36 2HG MET 36 109.465 -4.477 -10.400 234 1HE MET 36 1HE MET 36 109.509 -4.765 -13.557 235 2HE MET 36 2HE MET 36 108.909 -3.106 -13.535 236 3HE MET 36 3HE MET 36 108.530 -4.199 -12.202 237 H ARG 37 H ARG 37 110.049 -1.546 -6.624 238 HA ARG 37 HA ARG 37 112.444 -0.021 -5.961 239 1HB ARG 37 1HB ARG 37 111.136 2.123 -6.412 240 2HB ARG 37 2HB ARG 37 111.787 1.268 -7.795 241 1HG ARG 37 1HG ARG 37 109.063 0.486 -7.070 242 2HG ARG 37 2HG ARG 37 109.239 2.170 -7.573 243 1HD ARG 37 1HD ARG 37 110.115 -0.270 -9.116 244 2HD ARG 37 2HD ARG 37 108.737 0.767 -9.489 245 HE ARG 37 HE ARG 37 110.815 2.490 -9.513 246 1HH1 ARG 37 1HH1 ARG 37 110.253 -0.573 -11.085 247 2HH1 ARG 37 2HH1 ARG 37 111.234 -0.191 -12.459 248 1HH2 ARG 37 1HH2 ARG 37 112.107 2.996 -11.320 249 2HH2 ARG 37 2HH2 ARG 37 112.287 1.836 -12.593 250 H LEU 38 H LEU 38 111.109 -1.714 -4.272 251 HA LEU 38 HA LEU 38 109.059 -0.539 -2.774 252 1HB LEU 38 1HB LEU 38 110.964 -2.766 -2.402 253 2HB LEU 38 2HB LEU 38 110.264 -2.097 -0.933 254 HG LEU 38 HG LEU 38 108.657 -3.109 -3.282 255 1HD1 LEU 38 1HD1 LEU 38 108.646 -4.502 -0.675 256 2HD1 LEU 38 2HD1 LEU 38 110.075 -4.714 -1.686 257 3HD1 LEU 38 3HD1 LEU 38 108.483 -5.145 -2.308 258 1HD2 LEU 38 1HD2 LEU 38 107.726 -1.296 -1.749 259 2HD2 LEU 38 2HD2 LEU 38 107.689 -2.543 -0.505 260 3HD2 LEU 38 3HD2 LEU 38 106.755 -2.747 -1.987 261 H GLU 39 H GLU 39 112.521 -0.128 -2.703 262 HA GLU 39 HA GLU 39 112.531 1.336 -0.237 263 1HB GLU 39 1HB GLU 39 114.841 1.577 -0.511 264 2HB GLU 39 2HB GLU 39 114.488 0.005 -1.216 265 1HG GLU 39 1HG GLU 39 114.803 2.546 -2.798 266 2HG GLU 39 2HG GLU 39 116.089 1.373 -2.520 267 H ARG 40 H ARG 40 111.018 2.097 -2.871 268 HA ARG 40 HA ARG 40 111.836 4.923 -2.890 269 1HB ARG 40 1HB ARG 40 112.251 3.867 -5.028 270 2HB ARG 40 2HB ARG 40 110.629 3.203 -5.053 271 1HG ARG 40 1HG ARG 40 110.566 4.993 -6.531 272 2HG ARG 40 2HG ARG 40 109.808 5.603 -5.060 273 1HD ARG 40 1HD ARG 40 111.321 7.264 -5.937 274 2HD ARG 40 2HD ARG 40 111.957 6.631 -4.420 275 HE ARG 40 HE ARG 40 113.169 5.095 -6.287 276 1HH1 ARG 40 1HH1 ARG 40 112.865 8.545 -5.866 277 2HH1 ARG 40 2HH1 ARG 40 114.381 8.897 -6.623 278 1HH2 ARG 40 1HH2 ARG 40 115.163 5.554 -7.283 279 2HH2 ARG 40 2HH2 ARG 40 115.687 7.200 -7.429 280 H HIS 41 H HIS 41 109.434 2.642 -2.200 281 HA HIS 41 HA HIS 41 107.199 4.479 -2.380 282 1HB HIS 41 1HB HIS 41 107.583 1.564 -1.911 283 2HB HIS 41 2HB HIS 41 106.132 2.313 -1.259 284 HD1 HIS 41 HD1 HIS 41 104.624 3.613 -3.116 285 HD2 HIS 41 HD2 HIS 41 107.424 0.889 -4.532 286 HE1 HIS 41 HE1 HIS 41 103.932 3.099 -5.478 287 HE2 HIS 41 HE2 HIS 41 105.595 1.394 -6.288 288 H LEU 42 H LEU 42 109.625 3.914 -0.193 289 HA LEU 42 HA LEU 42 108.068 4.099 2.220 290 1HB LEU 42 1HB LEU 42 111.030 4.186 1.668 291 2HB LEU 42 2HB LEU 42 110.329 4.246 3.279 292 HG LEU 42 HG LEU 42 109.384 1.980 1.689 293 1HD1 LEU 42 1HD1 LEU 42 112.075 1.425 2.670 294 2HD1 LEU 42 2HD1 LEU 42 112.034 2.525 1.286 295 3HD1 LEU 42 3HD1 LEU 42 111.283 0.933 1.171 296 1HD2 LEU 42 1HD2 LEU 42 110.753 2.073 4.352 297 2HD2 LEU 42 2HD2 LEU 42 109.662 0.833 3.731 298 3HD2 LEU 42 3HD2 LEU 42 109.044 2.438 4.122 299 H SER 43 H SER 43 107.977 5.854 3.601 300 HA SER 43 HA SER 43 108.211 8.429 2.328 301 1HB SER 43 1HB SER 43 107.537 8.980 4.924 302 2HB SER 43 2HB SER 43 106.376 8.616 3.643 303 HG SER 43 HG SER 43 107.339 6.969 5.704 304 H ALA 44 H ALA 44 109.233 10.266 3.500 305 HA ALA 44 HA ALA 44 111.954 9.924 3.773 306 1HB ALA 44 1HB ALA 44 110.316 12.077 3.752 307 2HB ALA 44 2HB ALA 44 112.034 12.145 4.146 308 3HB ALA 44 3HB ALA 44 110.835 12.077 5.437 309 H GLU 45 H GLU 45 109.460 9.381 6.117 310 HA GLU 45 HA GLU 45 111.262 9.290 8.373 311 1HB GLU 45 1HB GLU 45 108.732 7.892 8.761 312 2HB GLU 45 2HB GLU 45 109.402 9.257 9.638 313 1HG GLU 45 1HG GLU 45 108.645 10.574 7.489 314 2HG GLU 45 2HG GLU 45 107.545 9.205 7.327 315 H ASP 46 H ASP 46 109.320 6.933 6.575 316 HA ASP 46 HA ASP 46 110.296 4.628 7.793 317 1HB ASP 46 1HB ASP 46 109.311 4.989 4.955 318 2HB ASP 46 2HB ASP 46 109.495 3.440 5.781 319 H PHE 47 H PHE 47 111.390 6.232 4.801 320 HA PHE 47 HA PHE 47 113.433 4.451 4.160 321 1HB PHE 47 1HB PHE 47 112.415 6.476 2.853 322 2HB PHE 47 2HB PHE 47 113.713 7.386 3.629 323 HD1 PHE 47 HD1 PHE 47 113.140 4.282 1.664 324 HD2 PHE 47 HD2 PHE 47 115.763 7.493 2.608 325 HE1 PHE 47 HE1 PHE 47 114.715 3.513 -0.073 326 HE2 PHE 47 HE2 PHE 47 117.336 6.734 0.875 327 HZ PHE 47 HZ PHE 47 116.805 4.744 -0.473 328 H SER 48 H SER 48 113.878 7.681 5.597 329 HA SER 48 HA SER 48 116.547 7.349 6.292 330 1HB SER 48 1HB SER 48 114.875 9.438 6.357 331 2HB SER 48 2HB SER 48 114.864 9.035 8.073 332 HG SER 48 HG SER 48 116.823 9.774 8.240 333 H ARG 49 H ARG 49 113.760 5.984 7.766 334 HA ARG 49 HA ARG 49 115.045 5.586 10.336 335 1HB ARG 49 1HB ARG 49 112.651 6.048 10.289 336 2HB ARG 49 2HB ARG 49 112.378 4.635 9.278 337 1HG ARG 49 1HG ARG 49 111.760 3.978 11.436 338 2HG ARG 49 2HG ARG 49 113.356 3.270 11.181 339 1HD ARG 49 1HD ARG 49 113.252 4.225 13.392 340 2HD ARG 49 2HD ARG 49 114.357 5.176 12.395 341 HE ARG 49 HE ARG 49 111.890 6.397 12.190 342 1HH1 ARG 49 1HH1 ARG 49 114.152 5.650 14.740 343 2HH1 ARG 49 2HH1 ARG 49 113.699 7.010 15.711 344 1HH2 ARG 49 1HH2 ARG 49 111.293 8.187 13.465 345 2HH2 ARG 49 2HH2 ARG 49 112.077 8.452 14.987 346 H VAL 50 H VAL 50 114.444 3.807 7.393 347 HA VAL 50 HA VAL 50 115.348 1.313 8.628 348 HB VAL 50 HB VAL 50 114.520 1.683 5.754 349 1HG1 VAL 50 1HG1 VAL 50 114.218 -0.664 5.732 350 2HG1 VAL 50 2HG1 VAL 50 114.414 -0.776 7.481 351 3HG1 VAL 50 3HG1 VAL 50 115.794 -0.363 6.465 352 1HG2 VAL 50 1HG2 VAL 50 112.337 1.599 6.241 353 2HG2 VAL 50 2HG2 VAL 50 112.834 2.191 7.828 354 3HG2 VAL 50 3HG2 VAL 50 112.576 0.467 7.572 355 H PHE 51 H PHE 51 116.257 3.559 6.038 356 HA PHE 51 HA PHE 51 118.766 2.093 5.671 357 1HB PHE 51 1HB PHE 51 117.581 4.335 4.027 358 2HB PHE 51 2HB PHE 51 119.028 3.415 3.626 359 HD1 PHE 51 HD1 PHE 51 115.779 3.817 2.767 360 HD2 PHE 51 HD2 PHE 51 118.484 0.710 3.806 361 HE1 PHE 51 HE1 PHE 51 114.400 2.205 1.513 362 HE2 PHE 51 HE2 PHE 51 117.112 -0.907 2.552 363 HZ PHE 51 HZ PHE 51 115.074 -0.152 1.403 364 H ALA 52 H ALA 52 117.538 5.262 6.616 365 HA ALA 52 HA ALA 52 118.536 6.915 7.869 366 1HB ALA 52 1HB ALA 52 121.146 5.459 7.802 367 2HB ALA 52 2HB ALA 52 119.839 4.923 8.858 368 3HB ALA 52 3HB ALA 52 120.513 6.544 9.040 369 H MET 53 H MET 53 118.787 6.385 4.867 370 HA MET 53 HA MET 53 120.721 8.526 4.300 371 1HB MET 53 1HB MET 53 120.737 7.055 2.013 372 2HB MET 53 2HB MET 53 121.955 6.959 3.278 373 1HG MET 53 1HG MET 53 121.209 4.955 4.052 374 2HG MET 53 2HG MET 53 119.542 5.263 3.563 375 1HE MET 53 1HE MET 53 119.072 5.750 1.022 376 2HE MET 53 2HE MET 53 119.770 4.788 -0.281 377 3HE MET 53 3HE MET 53 120.628 6.198 0.319 378 H SER 54 H SER 54 120.277 9.697 2.332 379 HA SER 54 HA SER 54 117.542 10.430 2.191 380 1HB SER 54 1HB SER 54 119.985 11.210 0.601 381 2HB SER 54 2HB SER 54 118.384 11.891 0.275 382 HG SER 54 HG SER 54 120.089 12.764 2.016 383 HA PRO 55 HA PRO 55 115.888 7.612 -0.823 384 1HB PRO 55 1HB PRO 55 114.587 10.087 -1.874 385 2HB PRO 55 2HB PRO 55 113.866 8.521 -1.486 386 1HG PRO 55 1HG PRO 55 113.561 10.610 0.145 387 2HG PRO 55 2HG PRO 55 113.783 8.970 0.785 388 1HD PRO 55 1HD PRO 55 115.699 11.246 0.697 389 2HD PRO 55 2HD PRO 55 115.551 9.935 1.887 390 H GLU 56 H GLU 56 117.326 10.691 -1.640 391 HA GLU 56 HA GLU 56 117.757 10.026 -4.409 392 1HB GLU 56 1HB GLU 56 118.832 12.143 -4.588 393 2HB GLU 56 2HB GLU 56 117.464 12.374 -3.506 394 1HG GLU 56 1HG GLU 56 118.916 12.329 -1.584 395 2HG GLU 56 2HG GLU 56 120.308 11.963 -2.609 396 H GLU 57 H GLU 57 119.513 9.906 -1.385 397 HA GLU 57 HA GLU 57 122.097 9.490 -2.323 398 1HB GLU 57 1HB GLU 57 120.678 8.666 0.216 399 2HB GLU 57 2HB GLU 57 122.290 8.051 -0.132 400 1HG GLU 57 1HG GLU 57 121.760 10.978 -0.297 401 2HG GLU 57 2HG GLU 57 121.996 10.203 1.270 402 H PHE 58 H PHE 58 119.653 7.022 -1.479 403 HA PHE 58 HA PHE 58 120.910 4.682 -2.091 404 1HB PHE 58 1HB PHE 58 118.345 5.360 -1.563 405 2HB PHE 58 2HB PHE 58 118.191 4.995 -3.279 406 HD1 PHE 58 HD1 PHE 58 118.327 3.653 0.023 407 HD2 PHE 58 HD2 PHE 58 118.992 2.705 -4.073 408 HE1 PHE 58 HE1 PHE 58 118.145 1.265 0.556 409 HE2 PHE 58 HE2 PHE 58 118.806 0.310 -3.546 410 HZ PHE 58 HZ PHE 58 118.386 -0.415 -1.230 411 H GLY 59 H GLY 59 118.961 6.429 -4.535 412 1HA GLY 59 1HA GLY 59 119.756 4.947 -6.741 413 2HA GLY 59 2HA GLY 59 119.207 6.615 -6.809 414 H LYS 60 H LYS 60 121.546 7.355 -5.011 415 HA LYS 60 HA LYS 60 123.493 7.562 -7.191 416 1HB LYS 60 1HB LYS 60 123.060 9.165 -4.677 417 2HB LYS 60 2HB LYS 60 124.511 9.335 -5.663 418 1HG LYS 60 1HG LYS 60 123.103 9.941 -7.588 419 2HG LYS 60 2HG LYS 60 121.676 9.834 -6.551 420 1HD LYS 60 1HD LYS 60 122.254 11.721 -5.342 421 2HD LYS 60 2HD LYS 60 123.963 11.589 -5.758 422 1HE LYS 60 1HE LYS 60 123.559 12.349 -7.982 423 2HE LYS 60 2HE LYS 60 121.813 12.240 -7.762 424 1HZ LYS 60 1HZ LYS 60 123.663 14.310 -6.909 425 2HZ LYS 60 2HZ LYS 60 122.448 13.914 -5.801 426 3HZ LYS 60 3HZ LYS 60 122.036 14.428 -7.359 427 H LEU 61 H LEU 61 122.983 5.485 -4.751 428 HA LEU 61 HA LEU 61 125.612 5.396 -3.616 429 1HB LEU 61 1HB LEU 61 123.242 3.528 -3.404 430 2HB LEU 61 2HB LEU 61 124.700 3.396 -2.445 431 HG LEU 61 HG LEU 61 122.628 5.544 -2.332 432 1HD1 LEU 61 1HD1 LEU 61 123.762 3.859 -0.135 433 2HD1 LEU 61 2HD1 LEU 61 122.340 3.399 -1.072 434 3HD1 LEU 61 3HD1 LEU 61 122.325 4.874 -0.107 435 1HD2 LEU 61 1HD2 LEU 61 124.710 6.715 -2.259 436 2HD2 LEU 61 2HD2 LEU 61 125.386 5.537 -1.134 437 3HD2 LEU 61 3HD2 LEU 61 124.086 6.608 -0.612 438 H ALA 62 H ALA 62 125.341 2.331 -3.711 439 HA ALA 62 HA ALA 62 126.374 1.939 -6.434 440 1HB ALA 62 1HB ALA 62 127.512 0.568 -4.008 441 2HB ALA 62 2HB ALA 62 128.176 2.054 -4.686 442 3HB ALA 62 3HB ALA 62 128.152 0.578 -5.650 443 H LEU 63 H LEU 63 126.852 -0.768 -6.339 444 HA LEU 63 HA LEU 63 124.128 -1.801 -6.332 445 1HB LEU 63 1HB LEU 63 125.831 -2.115 -8.213 446 2HB LEU 63 2HB LEU 63 126.605 -3.286 -7.161 447 HG LEU 63 HG LEU 63 123.743 -3.771 -7.452 448 1HD1 LEU 63 1HD1 LEU 63 125.466 -4.035 -9.908 449 2HD1 LEU 63 2HD1 LEU 63 124.202 -2.826 -9.683 450 3HD1 LEU 63 3HD1 LEU 63 123.785 -4.540 -9.734 451 1HD2 LEU 63 1HD2 LEU 63 124.389 -5.928 -7.279 452 2HD2 LEU 63 2HD2 LEU 63 125.865 -5.195 -6.651 453 3HD2 LEU 63 3HD2 LEU 63 125.785 -5.712 -8.335 454 H TRP 64 H TRP 64 127.039 -2.041 -4.498 455 HA TRP 64 HA TRP 64 126.238 -4.439 -3.101 456 1HB TRP 64 1HB TRP 64 128.374 -3.922 -1.836 457 2HB TRP 64 2HB TRP 64 128.582 -4.191 -3.572 458 HD1 TRP 64 HD1 TRP 64 129.531 -2.183 -4.976 459 HE1 TRP 64 HE1 TRP 64 130.301 0.195 -4.379 460 HE3 TRP 64 HE3 TRP 64 127.753 -2.012 -0.312 461 HZ2 TRP 64 HZ2 TRP 64 130.155 1.924 -2.096 462 HZ3 TRP 64 HZ3 TRP 64 128.104 0.038 1.051 463 HH2 TRP 64 HH2 TRP 64 129.266 1.957 0.162 464 H LYS 65 H LYS 65 126.355 -0.997 -2.801 465 HA LYS 65 HA LYS 65 125.710 -0.841 -0.026 466 1HB LYS 65 1HB LYS 65 126.753 1.009 -1.360 467 2HB LYS 65 2HB LYS 65 125.211 1.221 -2.180 468 1HG LYS 65 1HG LYS 65 125.453 2.871 -0.447 469 2HG LYS 65 2HG LYS 65 124.155 1.746 -0.025 470 1HD LYS 65 1HD LYS 65 125.702 0.535 1.449 471 2HD LYS 65 2HD LYS 65 126.982 1.683 1.036 472 1HE LYS 65 1HE LYS 65 124.466 2.880 1.989 473 2HE LYS 65 2HE LYS 65 125.348 1.919 3.185 474 1HZ LYS 65 1HZ LYS 65 125.841 4.495 2.668 475 2HZ LYS 65 2HZ LYS 65 126.968 3.761 1.642 476 3HZ LYS 65 3HZ LYS 65 126.990 3.424 3.299 477 H ARG 66 H ARG 66 123.757 -0.089 -2.922 478 HA ARG 66 HA ARG 66 121.278 0.161 -1.751 479 1HB ARG 66 1HB ARG 66 121.979 -1.077 -4.416 480 2HB ARG 66 2HB ARG 66 120.355 -0.604 -3.940 481 1HG ARG 66 1HG ARG 66 121.072 1.705 -3.732 482 2HG ARG 66 2HG ARG 66 122.715 1.234 -4.165 483 1HD ARG 66 1HD ARG 66 120.984 0.216 -6.163 484 2HD ARG 66 2HD ARG 66 120.528 1.902 -5.874 485 HE ARG 66 HE ARG 66 123.300 1.811 -6.090 486 1HH1 ARG 66 1HH1 ARG 66 120.512 1.209 -8.099 487 2HH1 ARG 66 2HH1 ARG 66 121.325 1.623 -9.570 488 1HH2 ARG 66 1HH2 ARG 66 124.374 2.356 -8.023 489 2HH2 ARG 66 2HH2 ARG 66 123.518 2.275 -9.527 490 H ASN 67 H ASN 67 122.926 -2.749 -2.820 491 HA ASN 67 HA ASN 67 120.888 -4.600 -2.303 492 1HB ASN 67 1HB ASN 67 123.800 -4.701 -2.715 493 2HB ASN 67 2HB ASN 67 123.161 -6.027 -1.742 494 1HD2 ASN 67 1HD2 ASN 67 122.669 -4.291 -4.782 495 2HD2 ASN 67 2HD2 ASN 67 122.098 -5.657 -5.674 496 H GLU 68 H GLU 68 123.726 -3.985 -0.231 497 HA GLU 68 HA GLU 68 122.971 -5.350 2.008 498 1HB GLU 68 1HB GLU 68 124.551 -2.817 1.675 499 2HB GLU 68 2HB GLU 68 124.275 -3.506 3.268 500 1HG GLU 68 1HG GLU 68 125.483 -5.077 1.014 501 2HG GLU 68 2HG GLU 68 126.446 -4.106 2.127 502 H LEU 69 H LEU 69 122.062 -2.019 1.148 503 HA LEU 69 HA LEU 69 120.661 -1.412 3.505 504 1HB LEU 69 1HB LEU 69 120.005 -0.399 0.744 505 2HB LEU 69 2HB LEU 69 119.643 0.375 2.275 506 HG LEU 69 HG LEU 69 122.458 -0.176 1.593 507 1HD1 LEU 69 1HD1 LEU 69 122.205 0.950 -0.328 508 2HD1 LEU 69 2HD1 LEU 69 122.197 2.358 0.728 509 3HD1 LEU 69 3HD1 LEU 69 120.676 1.663 0.176 510 1HD2 LEU 69 1HD2 LEU 69 120.938 1.711 3.321 511 2HD2 LEU 69 2HD2 LEU 69 122.556 2.146 2.771 512 3HD2 LEU 69 3HD2 LEU 69 122.312 0.681 3.722 513 H LYS 70 H LYS 70 119.350 -2.305 0.344 514 HA LYS 70 HA LYS 70 116.709 -2.827 1.208 515 1HB LYS 70 1HB LYS 70 118.348 -3.390 -1.189 516 2HB LYS 70 2HB LYS 70 116.970 -4.455 -0.942 517 1HG LYS 70 1HG LYS 70 115.451 -2.608 -0.980 518 2HG LYS 70 2HG LYS 70 116.785 -1.451 -0.976 519 1HD LYS 70 1HD LYS 70 116.050 -1.547 -3.210 520 2HD LYS 70 2HD LYS 70 117.518 -2.525 -3.162 521 1HE LYS 70 1HE LYS 70 116.356 -4.513 -3.364 522 2HE LYS 70 2HE LYS 70 114.857 -3.818 -2.750 523 1HZ LYS 70 1HZ LYS 70 114.562 -4.135 -5.051 524 2HZ LYS 70 2HZ LYS 70 116.061 -3.451 -5.432 525 3HZ LYS 70 3HZ LYS 70 114.809 -2.473 -4.853 526 H LYS 71 H LYS 71 119.631 -4.567 1.558 527 HA LYS 71 HA LYS 71 118.369 -7.129 2.020 528 1HB LYS 71 1HB LYS 71 121.204 -6.122 1.951 529 2HB LYS 71 2HB LYS 71 120.829 -7.718 2.609 530 1HG LYS 71 1HG LYS 71 119.974 -8.467 0.534 531 2HG LYS 71 2HG LYS 71 119.968 -6.828 -0.127 532 1HD LYS 71 1HD LYS 71 121.936 -7.416 -1.039 533 2HD LYS 71 2HD LYS 71 122.586 -7.132 0.576 534 1HE LYS 71 1HE LYS 71 121.432 -9.798 0.177 535 2HE LYS 71 2HE LYS 71 122.839 -9.454 -0.828 536 1HZ LYS 71 1HZ LYS 71 123.199 -10.455 1.488 537 2HZ LYS 71 2HZ LYS 71 122.889 -8.896 2.068 538 3HZ LYS 71 3HZ LYS 71 124.185 -9.163 1.015 539 H LYS 72 H LYS 72 119.437 -4.400 3.835 540 HA LYS 72 HA LYS 72 119.337 -5.858 6.358 541 1HB LYS 72 1HB LYS 72 121.196 -4.239 5.915 542 2HB LYS 72 2HB LYS 72 120.004 -2.952 5.850 543 1HG LYS 72 1HG LYS 72 120.192 -4.690 8.274 544 2HG LYS 72 2HG LYS 72 121.348 -3.378 8.029 545 1HD LYS 72 1HD LYS 72 118.349 -3.168 8.279 546 2HD LYS 72 2HD LYS 72 119.566 -2.543 9.385 547 1HE LYS 72 1HE LYS 72 118.837 -1.556 6.645 548 2HE LYS 72 2HE LYS 72 118.825 -0.675 8.171 549 1HZ LYS 72 1HZ LYS 72 120.710 -0.001 6.882 550 2HZ LYS 72 2HZ LYS 72 121.220 -1.600 6.678 551 3HZ LYS 72 3HZ LYS 72 121.268 -0.888 8.211 552 H ALA 73 H ALA 73 117.701 -3.520 4.422 553 HA ALA 73 HA ALA 73 115.830 -2.611 6.366 554 1HB ALA 73 1HB ALA 73 116.188 -2.350 3.421 555 2HB ALA 73 2HB ALA 73 116.156 -1.098 4.663 556 3HB ALA 73 3HB ALA 73 114.655 -1.872 4.150 557 H GLU 74 H GLU 74 116.117 -5.625 5.147 558 HA GLU 74 HA GLU 74 114.726 -7.413 5.024 559 1HB GLU 74 1HB GLU 74 112.693 -5.516 6.220 560 2HB GLU 74 2HB GLU 74 112.496 -7.255 6.081 561 1HG GLU 74 1HG GLU 74 114.184 -7.679 7.661 562 2HG GLU 74 2HG GLU 74 114.771 -6.019 7.592 563 H LEU 75 H LEU 75 114.904 -5.252 2.930 564 HA LEU 75 HA LEU 75 112.715 -6.239 1.309 565 1HB LEU 75 1HB LEU 75 112.850 -3.604 0.496 566 2HB LEU 75 2HB LEU 75 111.553 -4.343 1.426 567 HG LEU 75 HG LEU 75 113.619 -3.560 3.202 568 1HD1 LEU 75 1HD1 LEU 75 112.962 -1.558 1.084 569 2HD1 LEU 75 2HD1 LEU 75 114.522 -1.947 1.811 570 3HD1 LEU 75 3HD1 LEU 75 113.323 -1.035 2.733 571 1HD2 LEU 75 1HD2 LEU 75 111.580 -1.805 3.603 572 2HD2 LEU 75 2HD2 LEU 75 111.643 -3.444 4.251 573 3HD2 LEU 75 3HD2 LEU 75 110.765 -3.120 2.756 574 H PHE 76 H PHE 76 114.764 -7.418 0.677 575 HA PHE 76 HA PHE 76 115.973 -5.955 -1.578 576 1HB PHE 76 1HB PHE 76 117.925 -6.198 -0.466 577 2HB PHE 76 2HB PHE 76 117.269 -7.438 0.604 578 HD1 PHE 76 HD1 PHE 76 117.493 -9.775 0.068 579 HD2 PHE 76 HD2 PHE 76 118.964 -6.784 -2.576 580 HE1 PHE 76 HE1 PHE 76 118.773 -11.488 -1.150 581 HE2 PHE 76 HE2 PHE 76 120.247 -8.491 -3.800 582 HZ PHE 76 HZ PHE 76 120.152 -10.846 -3.087 Start of MODEL 18 1 HT1 PRO 9 HT1 PRO 9 102.502 13.584 -11.380 2 HT2 PRO 9 HT2 PRO 9 102.638 12.030 -10.858 3 HA PRO 9 HA PRO 9 101.790 14.321 -9.572 4 1HB PRO 9 1HB PRO 9 100.230 12.320 -8.326 5 2HB PRO 9 2HB PRO 9 99.650 13.765 -9.164 6 1HG PRO 9 1HG PRO 9 99.957 10.987 -10.173 7 2HG PRO 9 2HG PRO 9 98.754 12.217 -10.605 8 1HD PRO 9 1HD PRO 9 100.741 11.618 -12.278 9 2HD PRO 9 2HD PRO 9 100.207 13.298 -12.078 10 H GLY 10 H GLY 10 102.219 10.790 -9.289 11 1HA GLY 10 1HA GLY 10 104.553 10.335 -8.265 12 2HA GLY 10 2HA GLY 10 103.894 11.240 -6.913 13 H LEU 11 H LEU 11 104.463 9.204 -5.807 14 HA LEU 11 HA LEU 11 102.290 7.241 -6.073 15 1HB LEU 11 1HB LEU 11 104.210 5.888 -4.709 16 2HB LEU 11 2HB LEU 11 103.934 5.773 -6.437 17 HG LEU 11 HG LEU 11 105.656 7.822 -6.443 18 1HD1 LEU 11 1HD1 LEU 11 105.781 7.771 -3.944 19 2HD1 LEU 11 2HD1 LEU 11 107.334 7.617 -4.766 20 3HD1 LEU 11 3HD1 LEU 11 106.554 6.191 -4.078 21 1HD2 LEU 11 1HD2 LEU 11 107.120 6.354 -7.361 22 2HD2 LEU 11 2HD2 LEU 11 105.697 5.313 -7.330 23 3HD2 LEU 11 3HD2 LEU 11 106.920 5.172 -6.068 24 H GLN 12 H GLN 12 101.789 6.071 -4.044 25 HA GLN 12 HA GLN 12 101.536 7.992 -1.878 26 1HB GLN 12 1HB GLN 12 100.246 5.726 -1.008 27 2HB GLN 12 2HB GLN 12 99.491 7.072 -1.847 28 1HG GLN 12 1HG GLN 12 99.627 5.935 -3.935 29 2HG GLN 12 2HG GLN 12 100.624 4.663 -3.240 30 1HE2 GLN 12 1HE2 GLN 12 98.513 3.819 -4.554 31 2HE2 GLN 12 2HE2 GLN 12 97.247 3.305 -3.498 32 H ILE 13 H ILE 13 102.417 7.851 0.091 33 HA ILE 13 HA ILE 13 104.517 5.852 0.476 34 HB ILE 13 HB ILE 13 104.029 8.231 2.247 35 1HG1 ILE 13 1HG1 ILE 13 104.192 8.918 -0.181 36 2HG1 ILE 13 2HG1 ILE 13 105.434 9.589 0.873 37 1HG2 ILE 13 1HG2 ILE 13 106.349 6.422 1.673 38 2HG2 ILE 13 2HG2 ILE 13 105.587 6.790 3.220 39 3HG2 ILE 13 3HG2 ILE 13 106.575 8.007 2.410 40 1HD1 ILE 13 1HD1 ILE 13 107.010 7.901 0.083 41 2HD1 ILE 13 2HD1 ILE 13 106.378 8.885 -1.239 42 3HD1 ILE 13 3HD1 ILE 13 105.767 7.249 -0.986 43 H TYR 14 H TYR 14 104.608 4.515 2.294 44 HA TYR 14 HA TYR 14 102.408 4.653 4.217 45 1HB TYR 14 1HB TYR 14 103.034 1.916 3.328 46 2HB TYR 14 2HB TYR 14 101.482 2.658 3.692 47 HD1 TYR 14 HD1 TYR 14 100.042 3.345 1.946 48 HD2 TYR 14 HD2 TYR 14 104.096 2.389 1.091 49 HE1 TYR 14 HE1 TYR 14 99.553 3.441 -0.465 50 HE2 TYR 14 HE2 TYR 14 103.620 2.476 -1.316 51 HH TYR 14 HH TYR 14 101.841 2.365 -2.842 52 HA PRO 15 HA PRO 15 105.140 3.208 7.396 53 1HB PRO 15 1HB PRO 15 103.883 0.508 7.449 54 2HB PRO 15 2HB PRO 15 104.137 1.657 8.770 55 1HG PRO 15 1HG PRO 15 101.712 1.302 7.726 56 2HG PRO 15 2HG PRO 15 102.270 2.914 8.213 57 1HD PRO 15 1HD PRO 15 102.033 1.732 5.479 58 2HD PRO 15 2HD PRO 15 101.727 3.397 6.021 59 H TYR 16 H TYR 16 106.797 1.448 7.949 60 HA TYR 16 HA TYR 16 108.094 0.663 5.489 61 1HB TYR 16 1HB TYR 16 109.661 1.511 6.948 62 2HB TYR 16 2HB TYR 16 108.869 0.829 8.367 63 HD1 TYR 16 HD1 TYR 16 109.664 -1.115 9.323 64 HD2 TYR 16 HD2 TYR 16 110.847 -0.131 5.364 65 HE1 TYR 16 HE1 TYR 16 111.264 -2.987 9.345 66 HE2 TYR 16 HE2 TYR 16 112.451 -1.994 5.356 67 HH TYR 16 HH TYR 16 112.389 -4.460 7.618 68 H GLU 17 H GLU 17 107.258 -1.049 8.504 69 HA GLU 17 HA GLU 17 107.820 -3.628 7.776 70 1HB GLU 17 1HB GLU 17 106.632 -2.450 9.928 71 2HB GLU 17 2HB GLU 17 105.284 -3.353 9.251 72 1HG GLU 17 1HG GLU 17 106.241 -5.381 9.679 73 2HG GLU 17 2HG GLU 17 107.887 -4.745 9.594 74 H MET 18 H MET 18 105.182 -1.669 6.629 75 HA MET 18 HA MET 18 103.670 -3.903 5.604 76 1HB MET 18 1HB MET 18 103.376 -0.924 5.508 77 2HB MET 18 2HB MET 18 102.430 -1.931 4.422 78 1HG MET 18 1HG MET 18 102.142 -3.102 6.935 79 2HG MET 18 2HG MET 18 102.036 -1.361 7.215 80 1HE MET 18 1HE MET 18 99.817 -0.799 3.962 81 2HE MET 18 2HE MET 18 101.184 -0.201 4.901 82 3HE MET 18 3HE MET 18 99.536 0.085 5.462 83 H LEU 19 H LEU 19 106.292 -2.005 4.500 84 HA LEU 19 HA LEU 19 105.788 -2.789 1.709 85 1HB LEU 19 1HB LEU 19 107.935 -0.881 2.546 86 2HB LEU 19 2HB LEU 19 107.097 -1.000 1.008 87 HG LEU 19 HG LEU 19 105.694 -0.125 3.512 88 1HD1 LEU 19 1HD1 LEU 19 106.013 2.204 2.524 89 2HD1 LEU 19 2HD1 LEU 19 107.323 1.496 1.579 90 3HD1 LEU 19 3HD1 LEU 19 107.400 1.480 3.341 91 1HD2 LEU 19 1HD2 LEU 19 105.023 0.708 0.742 92 2HD2 LEU 19 2HD2 LEU 19 103.971 0.488 2.140 93 3HD2 LEU 19 3HD2 LEU 19 104.595 -0.917 1.274 94 H VAL 20 H VAL 20 107.219 -4.136 4.228 95 HA VAL 20 HA VAL 20 109.863 -4.626 3.309 96 HB VAL 20 HB VAL 20 108.291 -6.399 5.176 97 1HG1 VAL 20 1HG1 VAL 20 111.170 -5.954 4.567 98 2HG1 VAL 20 2HG1 VAL 20 110.300 -7.465 4.848 99 3HG1 VAL 20 3HG1 VAL 20 110.698 -6.405 6.204 100 1HG2 VAL 20 1HG2 VAL 20 109.182 -4.961 6.988 101 2HG2 VAL 20 2HG2 VAL 20 108.015 -4.145 5.949 102 3HG2 VAL 20 3HG2 VAL 20 109.735 -3.824 5.761 103 H VAL 21 H VAL 21 110.704 -6.444 2.256 104 HA VAL 21 HA VAL 21 108.941 -7.551 0.299 105 HB VAL 21 HB VAL 21 111.836 -8.180 0.848 106 1HG1 VAL 21 1HG1 VAL 21 111.218 -9.897 -0.541 107 2HG1 VAL 21 2HG1 VAL 21 111.642 -8.664 -1.730 108 3HG1 VAL 21 3HG1 VAL 21 109.950 -8.954 -1.325 109 1HG2 VAL 21 1HG2 VAL 21 110.774 -6.315 -1.249 110 2HG2 VAL 21 2HG2 VAL 21 112.429 -6.498 -0.675 111 3HG2 VAL 21 3HG2 VAL 21 111.212 -5.765 0.368 112 H THR 22 H THR 22 111.219 -9.309 2.437 113 HA THR 22 HA THR 22 109.372 -11.586 2.316 114 HB THR 22 HB THR 22 112.317 -11.478 2.959 115 HG1 THR 22 HG1 THR 22 112.222 -11.378 0.831 116 1HG2 THR 22 1HG2 THR 22 112.329 -13.879 2.931 117 2HG2 THR 22 2HG2 THR 22 110.590 -13.920 2.635 118 3HG2 THR 22 3HG2 THR 22 111.210 -13.316 4.173 119 H ASN 23 H ASN 23 111.709 -10.321 4.646 120 HA ASN 23 HA ASN 23 111.154 -11.535 6.916 121 1HB ASN 23 1HB ASN 23 111.439 -8.537 6.710 122 2HB ASN 23 2HB ASN 23 111.753 -9.512 8.147 123 1HD2 ASN 23 1HD2 ASN 23 112.828 -8.751 4.906 124 2HD2 ASN 23 2HD2 ASN 23 114.433 -9.363 5.085 125 H LYS 24 H LYS 24 108.966 -9.057 5.598 126 HA LYS 24 HA LYS 24 107.098 -9.744 7.775 127 1HB LYS 24 1HB LYS 24 106.945 -7.180 6.220 128 2HB LYS 24 2HB LYS 24 106.237 -7.560 7.783 129 1HG LYS 24 1HG LYS 24 109.145 -7.099 7.174 130 2HG LYS 24 2HG LYS 24 108.068 -6.061 8.107 131 1HD LYS 24 1HD LYS 24 108.279 -7.308 9.969 132 2HD LYS 24 2HD LYS 24 108.251 -8.829 9.075 133 1HE LYS 24 1HE LYS 24 110.432 -8.979 9.509 134 2HE LYS 24 2HE LYS 24 110.657 -7.679 8.338 135 1HZ LYS 24 1HZ LYS 24 110.769 -6.091 10.016 136 2HZ LYS 24 2HZ LYS 24 111.647 -7.388 10.654 137 3HZ LYS 24 3HZ LYS 24 110.064 -7.102 11.176 138 H GLY 25 H GLY 25 107.390 -11.078 5.136 139 1HA GLY 25 1HA GLY 25 105.093 -12.033 4.448 140 2HA GLY 25 2HA GLY 25 104.801 -10.383 3.918 141 H ARG 26 H ARG 26 104.631 -10.703 1.755 142 HA ARG 26 HA ARG 26 107.100 -11.370 0.371 143 1HB ARG 26 1HB ARG 26 105.561 -12.733 -1.285 144 2HB ARG 26 2HB ARG 26 106.284 -13.495 0.122 145 1HG ARG 26 1HG ARG 26 103.467 -12.436 0.002 146 2HG ARG 26 2HG ARG 26 103.926 -14.117 -0.234 147 1HD ARG 26 1HD ARG 26 105.134 -13.570 2.132 148 2HD ARG 26 2HD ARG 26 103.705 -12.538 2.235 149 HE ARG 26 HE ARG 26 102.648 -14.877 1.470 150 1HH1 ARG 26 1HH1 ARG 26 104.922 -14.090 4.000 151 2HH1 ARG 26 2HH1 ARG 26 104.427 -15.396 5.022 152 1HH2 ARG 26 1HH2 ARG 26 101.996 -16.594 2.816 153 2HH2 ARG 26 2HH2 ARG 26 102.766 -16.817 4.351 154 H THR 27 H THR 27 103.831 -11.157 -1.000 155 HA THR 27 HA THR 27 104.628 -8.647 -2.271 156 HB THR 27 HB THR 27 103.212 -11.067 -3.255 157 HG1 THR 27 HG1 THR 27 105.191 -9.319 -4.246 158 1HG2 THR 27 1HG2 THR 27 101.538 -9.565 -3.830 159 2HG2 THR 27 2HG2 THR 27 102.513 -9.750 -5.290 160 3HG2 THR 27 3HG2 THR 27 102.689 -8.306 -4.284 161 H LYS 28 H LYS 28 103.193 -9.308 0.272 162 HA LYS 28 HA LYS 28 100.483 -8.520 -0.023 163 1HB LYS 28 1HB LYS 28 102.338 -8.856 2.305 164 2HB LYS 28 2HB LYS 28 100.691 -8.275 2.523 165 1HG LYS 28 1HG LYS 28 100.964 -10.713 2.895 166 2HG LYS 28 2HG LYS 28 99.781 -10.304 1.652 167 1HD LYS 28 1HD LYS 28 101.531 -10.716 -0.073 168 2HD LYS 28 2HD LYS 28 102.615 -11.246 1.214 169 1HE LYS 28 1HE LYS 28 100.127 -12.546 0.174 170 2HE LYS 28 2HE LYS 28 101.726 -13.245 0.421 171 1HZ LYS 28 1HZ LYS 28 101.186 -12.699 2.905 172 2HZ LYS 28 2HZ LYS 28 100.596 -14.113 2.185 173 3HZ LYS 28 3HZ LYS 28 99.583 -12.770 2.365 174 H LEU 29 H LEU 29 102.750 -6.659 -0.921 175 HA LEU 29 HA LEU 29 102.908 -4.388 0.613 176 1HB LEU 29 1HB LEU 29 103.334 -5.197 -2.164 177 2HB LEU 29 2HB LEU 29 102.977 -3.493 -1.970 178 HG LEU 29 HG LEU 29 104.923 -3.066 -0.900 179 1HD1 LEU 29 1HD1 LEU 29 106.320 -4.954 0.155 180 2HD1 LEU 29 2HD1 LEU 29 104.838 -5.901 0.055 181 3HD1 LEU 29 3HD1 LEU 29 104.871 -4.415 1.004 182 1HD2 LEU 29 1HD2 LEU 29 106.600 -4.919 -1.953 183 2HD2 LEU 29 2HD2 LEU 29 105.962 -3.510 -2.799 184 3HD2 LEU 29 3HD2 LEU 29 105.172 -5.077 -2.980 185 HA PRO 30 HA PRO 30 99.037 -2.259 0.387 186 1HB PRO 30 1HB PRO 30 100.610 0.179 -0.209 187 2HB PRO 30 2HB PRO 30 99.502 -0.143 1.131 188 1HG PRO 30 1HG PRO 30 102.172 -0.047 1.470 189 2HG PRO 30 2HG PRO 30 101.133 -1.130 2.418 190 1HD PRO 30 1HD PRO 30 102.965 -1.766 0.152 191 2HD PRO 30 2HD PRO 30 102.526 -2.739 1.568 192 HA PRO 31 HA PRO 31 98.087 -1.324 -3.848 193 1HB PRO 31 1HB PRO 31 97.088 1.380 -3.457 194 2HB PRO 31 2HB PRO 31 96.181 -0.103 -3.765 195 1HG PRO 31 1HG PRO 31 96.109 1.218 -1.387 196 2HG PRO 31 2HG PRO 31 95.874 -0.533 -1.535 197 1HD PRO 31 1HD PRO 31 98.317 0.990 -0.707 198 2HD PRO 31 2HD PRO 31 97.646 -0.515 -0.041 199 H GLY 32 H GLY 32 99.895 -1.125 -5.093 200 1HA GLY 32 1HA GLY 32 100.974 0.339 -6.684 201 2HA GLY 32 2HA GLY 32 100.932 1.609 -5.473 202 H VAL 33 H VAL 33 101.799 -0.819 -3.613 203 HA VAL 33 HA VAL 33 104.648 -0.251 -3.901 204 HB VAL 33 HB VAL 33 103.827 -1.990 -1.705 205 1HG1 VAL 33 1HG1 VAL 33 106.004 -0.514 -2.302 206 2HG1 VAL 33 2HG1 VAL 33 105.576 -1.019 -0.667 207 3HG1 VAL 33 3HG1 VAL 33 105.142 0.592 -1.236 208 1HG2 VAL 33 1HG2 VAL 33 102.601 0.694 -2.103 209 2HG2 VAL 33 2HG2 VAL 33 103.031 0.168 -0.476 210 3HG2 VAL 33 3HG2 VAL 33 101.896 -0.778 -1.437 211 H ASP 34 H ASP 34 106.044 -1.563 -4.772 212 HA ASP 34 HA ASP 34 105.538 -4.438 -4.820 213 1HB ASP 34 1HB ASP 34 104.749 -3.172 -6.979 214 2HB ASP 34 2HB ASP 34 106.474 -3.125 -7.347 215 H ARG 35 H ARG 35 107.404 -5.703 -5.013 216 HA ARG 35 HA ARG 35 109.666 -4.910 -3.728 217 1HB ARG 35 1HB ARG 35 109.125 -7.059 -5.729 218 2HB ARG 35 2HB ARG 35 110.788 -6.771 -5.237 219 1HG ARG 35 1HG ARG 35 110.175 -8.379 -3.738 220 2HG ARG 35 2HG ARG 35 109.772 -6.921 -2.825 221 1HD ARG 35 1HD ARG 35 107.956 -8.496 -2.653 222 2HD ARG 35 2HD ARG 35 107.439 -7.116 -3.619 223 HE ARG 35 HE ARG 35 107.224 -8.499 -5.435 224 1HH1 ARG 35 1HH1 ARG 35 108.987 -10.168 -2.927 225 2HH1 ARG 35 2HH1 ARG 35 108.932 -11.699 -3.734 226 1HH2 ARG 35 1HH2 ARG 35 107.154 -10.512 -6.499 227 2HH2 ARG 35 2HH2 ARG 35 107.892 -11.894 -5.762 228 H MET 36 H MET 36 108.858 -4.300 -7.059 229 HA MET 36 HA MET 36 111.304 -3.831 -8.215 230 1HB MET 36 1HB MET 36 108.831 -3.619 -9.112 231 2HB MET 36 2HB MET 36 109.086 -1.913 -8.768 232 1HG MET 36 1HG MET 36 110.562 -1.648 -10.451 233 2HG MET 36 2HG MET 36 111.215 -3.279 -10.279 234 1HE MET 36 1HE MET 36 110.673 -4.528 -13.202 235 2HE MET 36 2HE MET 36 111.555 -3.144 -12.558 236 3HE MET 36 3HE MET 36 110.369 -2.913 -13.843 237 H ARG 37 H ARG 37 109.425 -1.609 -6.176 238 HA ARG 37 HA ARG 37 111.874 -0.092 -5.697 239 1HB ARG 37 1HB ARG 37 110.517 2.055 -5.958 240 2HB ARG 37 2HB ARG 37 111.006 1.235 -7.431 241 1HG ARG 37 1HG ARG 37 108.392 0.406 -6.413 242 2HG ARG 37 2HG ARG 37 108.489 2.105 -6.877 243 1HD ARG 37 1HD ARG 37 108.957 1.613 -9.086 244 2HD ARG 37 2HD ARG 37 109.578 0.007 -8.702 245 HE ARG 37 HE ARG 37 106.953 -0.143 -8.031 246 1HH1 ARG 37 1HH1 ARG 37 108.651 0.806 -10.928 247 2HH1 ARG 37 2HH1 ARG 37 107.382 0.295 -11.989 248 1HH2 ARG 37 1HH2 ARG 37 105.281 -0.812 -9.426 249 2HH2 ARG 37 2HH2 ARG 37 105.469 -0.622 -11.138 250 H LEU 38 H LEU 38 110.754 -1.818 -3.907 251 HA LEU 38 HA LEU 38 108.831 -0.733 -2.193 252 1HB LEU 38 1HB LEU 38 110.833 -2.897 -2.063 253 2HB LEU 38 2HB LEU 38 110.267 -2.278 -0.515 254 HG LEU 38 HG LEU 38 108.508 -3.360 -2.720 255 1HD1 LEU 38 1HD1 LEU 38 108.112 -4.950 -0.568 256 2HD1 LEU 38 2HD1 LEU 38 109.826 -4.579 -0.394 257 3HD1 LEU 38 3HD1 LEU 38 109.229 -5.314 -1.880 258 1HD2 LEU 38 1HD2 LEU 38 107.956 -1.664 -0.486 259 2HD2 LEU 38 2HD2 LEU 38 107.147 -3.217 -0.275 260 3HD2 LEU 38 3HD2 LEU 38 106.870 -2.268 -1.732 261 H GLU 39 H GLU 39 112.278 -0.182 -2.422 262 HA GLU 39 HA GLU 39 112.374 1.242 0.076 263 1HB GLU 39 1HB GLU 39 114.709 1.668 -0.442 264 2HB GLU 39 2HB GLU 39 114.326 -0.034 -0.643 265 1HG GLU 39 1HG GLU 39 115.665 0.472 -2.458 266 2HG GLU 39 2HG GLU 39 114.030 0.504 -3.115 267 H ARG 40 H ARG 40 110.774 2.058 -2.469 268 HA ARG 40 HA ARG 40 111.688 4.857 -2.481 269 1HB ARG 40 1HB ARG 40 111.484 3.163 -4.639 270 2HB ARG 40 2HB ARG 40 109.961 4.037 -4.697 271 1HG ARG 40 1HG ARG 40 112.224 5.795 -4.232 272 2HG ARG 40 2HG ARG 40 112.376 4.876 -5.731 273 1HD ARG 40 1HD ARG 40 109.767 6.168 -5.117 274 2HD ARG 40 2HD ARG 40 111.103 7.189 -5.648 275 HE ARG 40 HE ARG 40 109.526 5.526 -7.281 276 1HH1 ARG 40 1HH1 ARG 40 112.853 6.474 -6.810 277 2HH1 ARG 40 2HH1 ARG 40 113.297 6.192 -8.459 278 1HH2 ARG 40 1HH2 ARG 40 110.109 5.158 -9.452 279 2HH2 ARG 40 2HH2 ARG 40 111.740 5.449 -9.961 280 H HIS 41 H HIS 41 109.246 2.659 -1.721 281 HA HIS 41 HA HIS 41 107.071 4.573 -1.802 282 1HB HIS 41 1HB HIS 41 107.370 1.644 -1.333 283 2HB HIS 41 2HB HIS 41 105.964 2.451 -0.653 284 HD1 HIS 41 HD1 HIS 41 104.530 3.873 -2.529 285 HD2 HIS 41 HD2 HIS 41 107.057 0.875 -3.902 286 HE1 HIS 41 HE1 HIS 41 103.747 3.347 -4.859 287 HE2 HIS 41 HE2 HIS 41 105.223 1.457 -5.628 288 H LEU 42 H LEU 42 109.571 3.934 0.265 289 HA LEU 42 HA LEU 42 108.141 4.149 2.753 290 1HB LEU 42 1HB LEU 42 111.079 4.184 2.073 291 2HB LEU 42 2HB LEU 42 110.439 4.216 3.710 292 HG LEU 42 HG LEU 42 109.404 2.004 2.099 293 1HD1 LEU 42 1HD1 LEU 42 111.265 0.898 1.553 294 2HD1 LEU 42 2HD1 LEU 42 112.139 1.445 2.986 295 3HD1 LEU 42 3HD1 LEU 42 112.011 2.498 1.571 296 1HD2 LEU 42 1HD2 LEU 42 109.696 0.811 4.100 297 2HD2 LEU 42 2HD2 LEU 42 109.164 2.426 4.562 298 3HD2 LEU 42 3HD2 LEU 42 110.865 1.983 4.713 299 H SER 43 H SER 43 108.157 5.902 4.137 300 HA SER 43 HA SER 43 108.435 8.476 2.855 301 1HB SER 43 1HB SER 43 107.815 9.071 5.438 302 2HB SER 43 2HB SER 43 106.617 8.688 4.197 303 HG SER 43 HG SER 43 106.104 7.052 5.392 304 H ALA 44 H ALA 44 109.510 10.276 4.094 305 HA ALA 44 HA ALA 44 112.231 9.844 4.283 306 1HB ALA 44 1HB ALA 44 110.760 11.999 5.788 307 2HB ALA 44 2HB ALA 44 111.086 12.060 4.057 308 3HB ALA 44 3HB ALA 44 112.424 12.036 5.205 309 H GLU 45 H GLU 45 109.777 9.307 6.665 310 HA GLU 45 HA GLU 45 111.626 9.122 8.878 311 1HB GLU 45 1HB GLU 45 109.072 7.783 9.299 312 2HB GLU 45 2HB GLU 45 109.794 9.114 10.183 313 1HG GLU 45 1HG GLU 45 109.021 10.496 8.088 314 2HG GLU 45 2HG GLU 45 107.894 9.154 7.906 315 H ASP 46 H ASP 46 109.591 6.871 7.058 316 HA ASP 46 HA ASP 46 110.550 4.511 8.206 317 1HB ASP 46 1HB ASP 46 109.469 4.914 5.409 318 2HB ASP 46 2HB ASP 46 109.583 3.375 6.263 319 H PHE 47 H PHE 47 111.525 6.137 5.182 320 HA PHE 47 HA PHE 47 113.479 4.331 4.392 321 1HB PHE 47 1HB PHE 47 112.485 6.425 3.195 322 2HB PHE 47 2HB PHE 47 113.829 7.276 3.959 323 HD1 PHE 47 HD1 PHE 47 113.119 4.255 1.920 324 HD2 PHE 47 HD2 PHE 47 115.845 7.377 2.871 325 HE1 PHE 47 HE1 PHE 47 114.625 3.501 0.111 326 HE2 PHE 47 HE2 PHE 47 117.350 6.631 1.070 327 HZ PHE 47 HZ PHE 47 116.732 4.695 -0.316 328 H SER 48 H SER 48 114.039 7.448 6.028 329 HA SER 48 HA SER 48 116.748 7.008 6.558 330 1HB SER 48 1HB SER 48 116.633 8.915 8.005 331 2HB SER 48 2HB SER 48 115.527 9.213 6.663 332 HG SER 48 HG SER 48 113.812 8.611 8.016 333 H ARG 49 H ARG 49 114.001 5.598 8.012 334 HA ARG 49 HA ARG 49 115.319 5.064 10.542 335 1HB ARG 49 1HB ARG 49 112.941 5.551 10.578 336 2HB ARG 49 2HB ARG 49 112.621 4.227 9.467 337 1HG ARG 49 1HG ARG 49 112.487 2.769 11.129 338 2HG ARG 49 2HG ARG 49 114.047 3.277 11.778 339 1HD ARG 49 1HD ARG 49 113.069 4.395 13.434 340 2HD ARG 49 2HD ARG 49 112.034 5.271 12.301 341 HE ARG 49 HE ARG 49 110.894 2.799 12.496 342 1HH1 ARG 49 1HH1 ARG 49 111.777 5.282 14.784 343 2HH1 ARG 49 2HH1 ARG 49 110.513 4.883 15.897 344 1HH2 ARG 49 1HH2 ARG 49 109.230 2.271 13.960 345 2HH2 ARG 49 2HH2 ARG 49 109.067 3.171 15.430 346 H VAL 50 H VAL 50 114.639 3.434 7.525 347 HA VAL 50 HA VAL 50 115.564 0.885 8.626 348 HB VAL 50 HB VAL 50 114.647 1.337 5.794 349 1HG1 VAL 50 1HG1 VAL 50 114.433 -1.152 7.455 350 2HG1 VAL 50 2HG1 VAL 50 115.887 -0.762 6.537 351 3HG1 VAL 50 3HG1 VAL 50 114.348 -0.985 5.702 352 1HG2 VAL 50 1HG2 VAL 50 113.016 1.918 7.857 353 2HG2 VAL 50 2HG2 VAL 50 112.736 0.185 7.717 354 3HG2 VAL 50 3HG2 VAL 50 112.460 1.236 6.328 355 H PHE 51 H PHE 51 116.387 3.234 6.099 356 HA PHE 51 HA PHE 51 118.850 1.756 5.542 357 1HB PHE 51 1HB PHE 51 117.596 4.105 4.112 358 2HB PHE 51 2HB PHE 51 119.077 3.287 3.614 359 HD1 PHE 51 HD1 PHE 51 118.669 0.564 3.562 360 HD2 PHE 51 HD2 PHE 51 115.779 3.594 2.857 361 HE1 PHE 51 HE1 PHE 51 117.353 -1.013 2.199 362 HE2 PHE 51 HE2 PHE 51 114.450 2.021 1.493 363 HZ PHE 51 HZ PHE 51 115.246 -0.282 1.167 364 H ALA 52 H ALA 52 117.731 4.826 6.831 365 HA ALA 52 HA ALA 52 118.812 6.343 8.172 366 1HB ALA 52 1HB ALA 52 121.420 4.933 7.812 367 2HB ALA 52 2HB ALA 52 120.170 4.244 8.848 368 3HB ALA 52 3HB ALA 52 120.826 5.843 9.201 369 H MET 53 H MET 53 118.945 6.062 5.084 370 HA MET 53 HA MET 53 120.781 8.321 4.675 371 1HB MET 53 1HB MET 53 120.833 7.064 2.261 372 2HB MET 53 2HB MET 53 122.076 6.926 3.499 373 1HG MET 53 1HG MET 53 121.456 4.822 4.095 374 2HG MET 53 2HG MET 53 119.766 5.074 3.649 375 1HE MET 53 1HE MET 53 119.100 5.602 1.238 376 2HE MET 53 2HE MET 53 119.823 4.831 -0.175 377 3HE MET 53 3HE MET 53 120.523 6.311 0.469 378 H SER 54 H SER 54 120.290 9.574 2.749 379 HA SER 54 HA SER 54 117.546 10.282 2.715 380 1HB SER 54 1HB SER 54 119.961 11.163 1.144 381 2HB SER 54 2HB SER 54 118.352 11.826 0.827 382 HG SER 54 HG SER 54 118.346 12.297 3.177 383 HA PRO 55 HA PRO 55 115.827 7.664 -0.439 384 1HB PRO 55 1HB PRO 55 114.551 10.201 -1.361 385 2HB PRO 55 2HB PRO 55 113.812 8.628 -1.031 386 1HG PRO 55 1HG PRO 55 113.551 10.652 0.690 387 2HG PRO 55 2HG PRO 55 113.756 8.982 1.257 388 1HD PRO 55 1HD PRO 55 115.707 11.232 1.238 389 2HD PRO 55 2HD PRO 55 115.545 9.883 2.383 390 H GLU 56 H GLU 56 117.311 10.756 -1.097 391 HA GLU 56 HA GLU 56 117.719 10.240 -3.902 392 1HB GLU 56 1HB GLU 56 118.860 12.344 -3.951 393 2HB GLU 56 2HB GLU 56 117.456 12.537 -2.907 394 1HG GLU 56 1HG GLU 56 118.984 13.559 -1.600 395 2HG GLU 56 2HG GLU 56 119.237 11.901 -1.044 396 H GLU 57 H GLU 57 119.485 9.944 -0.895 397 HA GLU 57 HA GLU 57 122.063 9.558 -1.834 398 1HB GLU 57 1HB GLU 57 120.605 8.856 0.650 399 2HB GLU 57 2HB GLU 57 121.959 7.799 0.271 400 1HG GLU 57 1HG GLU 57 122.279 10.768 0.222 401 2HG GLU 57 2HG GLU 57 122.361 9.864 1.733 402 H PHE 58 H PHE 58 119.559 7.075 -1.254 403 HA PHE 58 HA PHE 58 120.839 4.777 -2.023 404 1HB PHE 58 1HB PHE 58 118.262 5.439 -1.458 405 2HB PHE 58 2HB PHE 58 118.127 5.142 -3.188 406 HD1 PHE 58 HD1 PHE 58 118.835 2.889 -4.080 407 HD2 PHE 58 HD2 PHE 58 118.349 3.669 0.076 408 HE1 PHE 58 HE1 PHE 58 118.633 0.475 -3.649 409 HE2 PHE 58 HE2 PHE 58 118.157 1.260 0.514 410 HZ PHE 58 HZ PHE 58 118.298 -0.344 -1.349 411 H GLY 59 H GLY 59 118.879 6.712 -4.308 412 1HA GLY 59 1HA GLY 59 119.652 5.427 -6.633 413 2HA GLY 59 2HA GLY 59 119.135 7.104 -6.557 414 H LYS 60 H LYS 60 121.470 7.675 -4.718 415 HA LYS 60 HA LYS 60 123.419 8.055 -6.865 416 1HB LYS 60 1HB LYS 60 123.293 9.306 -4.116 417 2HB LYS 60 2HB LYS 60 124.439 9.724 -5.387 418 1HG LYS 60 1HG LYS 60 121.952 9.990 -6.590 419 2HG LYS 60 2HG LYS 60 121.729 10.636 -4.960 420 1HD LYS 60 1HD LYS 60 122.662 12.528 -5.676 421 2HD LYS 60 2HD LYS 60 124.187 11.650 -5.811 422 1HE LYS 60 1HE LYS 60 123.984 11.374 -8.080 423 2HE LYS 60 2HE LYS 60 122.223 11.447 -8.040 424 1HZ LYS 60 1HZ LYS 60 124.159 13.591 -8.273 425 2HZ LYS 60 2HZ LYS 60 122.858 13.911 -7.240 426 3HZ LYS 60 3HZ LYS 60 122.573 13.494 -8.853 427 H LEU 61 H LEU 61 122.875 5.772 -4.573 428 HA LEU 61 HA LEU 61 125.523 5.478 -3.544 429 1HB LEU 61 1HB LEU 61 123.071 3.711 -3.465 430 2HB LEU 61 2HB LEU 61 124.549 3.376 -2.593 431 HG LEU 61 HG LEU 61 122.568 5.548 -2.100 432 1HD1 LEU 61 1HD1 LEU 61 123.484 3.104 -0.784 433 2HD1 LEU 61 2HD1 LEU 61 121.925 3.922 -0.715 434 3HD1 LEU 61 3HD1 LEU 61 123.266 4.494 0.277 435 1HD2 LEU 61 1HD2 LEU 61 124.144 6.463 -0.429 436 2HD2 LEU 61 2HD2 LEU 61 124.704 6.672 -2.089 437 3HD2 LEU 61 3HD2 LEU 61 125.397 5.404 -1.076 438 H ALA 62 H ALA 62 125.262 2.483 -3.895 439 HA ALA 62 HA ALA 62 126.104 2.291 -6.703 440 1HB ALA 62 1HB ALA 62 127.404 0.742 -4.479 441 2HB ALA 62 2HB ALA 62 128.013 2.294 -5.050 442 3HB ALA 62 3HB ALA 62 127.944 0.916 -6.148 443 H LEU 63 H LEU 63 126.472 -0.306 -7.065 444 HA LEU 63 HA LEU 63 123.800 -1.378 -6.870 445 1HB LEU 63 1HB LEU 63 125.379 -1.569 -8.860 446 2HB LEU 63 2HB LEU 63 126.235 -2.788 -7.933 447 HG LEU 63 HG LEU 63 123.414 -3.384 -7.992 448 1HD1 LEU 63 1HD1 LEU 63 123.263 -2.240 -10.067 449 2HD1 LEU 63 2HD1 LEU 63 123.343 -3.965 -10.427 450 3HD1 LEU 63 3HD1 LEU 63 124.771 -2.953 -10.642 451 1HD2 LEU 63 1HD2 LEU 63 125.418 -5.036 -9.412 452 2HD2 LEU 63 2HD2 LEU 63 124.170 -5.505 -8.258 453 3HD2 LEU 63 3HD2 LEU 63 125.668 -4.767 -7.687 454 H TRP 64 H TRP 64 126.823 -1.791 -5.239 455 HA TRP 64 HA TRP 64 126.049 -4.257 -3.959 456 1HB TRP 64 1HB TRP 64 128.246 -3.851 -2.758 457 2HB TRP 64 2HB TRP 64 128.370 -4.014 -4.516 458 HD1 TRP 64 HD1 TRP 64 129.304 -1.950 -5.829 459 HE1 TRP 64 HE1 TRP 64 130.144 0.375 -5.129 460 HE3 TRP 64 HE3 TRP 64 127.712 -2.014 -1.095 461 HZ2 TRP 64 HZ2 TRP 64 130.123 1.974 -2.751 462 HZ3 TRP 64 HZ3 TRP 64 128.157 -0.049 0.365 463 HH2 TRP 64 HH2 TRP 64 129.322 1.894 -0.460 464 H LYS 65 H LYS 65 126.258 -0.843 -3.410 465 HA LYS 65 HA LYS 65 125.730 -0.901 -0.608 466 1HB LYS 65 1HB LYS 65 126.628 1.034 -2.186 467 2HB LYS 65 2HB LYS 65 124.914 1.436 -2.276 468 1HG LYS 65 1HG LYS 65 124.780 1.850 0.032 469 2HG LYS 65 2HG LYS 65 126.333 1.066 0.344 470 1HD LYS 65 1HD LYS 65 127.535 2.843 -0.645 471 2HD LYS 65 2HD LYS 65 126.074 3.533 -1.358 472 1HE LYS 65 1HE LYS 65 126.758 4.846 0.557 473 2HE LYS 65 2HE LYS 65 125.231 4.024 0.902 474 1HZ LYS 65 1HZ LYS 65 127.313 4.006 2.551 475 2HZ LYS 65 2HZ LYS 65 127.648 2.603 1.668 476 3HZ LYS 65 3HZ LYS 65 126.175 2.754 2.485 477 H ARG 66 H ARG 66 123.662 0.101 -3.343 478 HA ARG 66 HA ARG 66 121.244 0.297 -2.058 479 1HB ARG 66 1HB ARG 66 121.825 -0.763 -4.823 480 2HB ARG 66 2HB ARG 66 120.217 -0.337 -4.252 481 1HG ARG 66 1HG ARG 66 120.948 1.955 -3.887 482 2HG ARG 66 2HG ARG 66 122.560 1.524 -4.453 483 1HD ARG 66 1HD ARG 66 120.377 0.812 -6.283 484 2HD ARG 66 2HD ARG 66 120.586 2.549 -6.016 485 HE ARG 66 HE ARG 66 123.094 1.754 -6.530 486 1HH1 ARG 66 1HH1 ARG 66 120.082 1.155 -8.192 487 2HH1 ARG 66 2HH1 ARG 66 120.829 1.001 -9.747 488 1HH2 ARG 66 1HH2 ARG 66 124.074 1.551 -8.575 489 2HH2 ARG 66 2HH2 ARG 66 123.094 1.225 -9.964 490 H ASN 67 H ASN 67 122.813 -2.559 -3.343 491 HA ASN 67 HA ASN 67 120.770 -4.423 -2.856 492 1HB ASN 67 1HB ASN 67 123.667 -4.518 -3.379 493 2HB ASN 67 2HB ASN 67 123.054 -5.892 -2.460 494 1HD2 ASN 67 1HD2 ASN 67 122.339 -3.959 -5.343 495 2HD2 ASN 67 2HD2 ASN 67 121.782 -5.284 -6.303 496 H GLU 68 H GLU 68 123.724 -4.073 -0.908 497 HA GLU 68 HA GLU 68 123.049 -5.516 1.283 498 1HB GLU 68 1HB GLU 68 125.151 -3.964 0.649 499 2HB GLU 68 2HB GLU 68 124.395 -2.942 1.865 500 1HG GLU 68 1HG GLU 68 126.006 -4.277 2.968 501 2HG GLU 68 2HG GLU 68 124.419 -4.906 3.410 502 H LEU 69 H LEU 69 122.090 -2.165 0.622 503 HA LEU 69 HA LEU 69 120.905 -1.667 3.129 504 1HB LEU 69 1HB LEU 69 119.989 -0.513 0.507 505 2HB LEU 69 2HB LEU 69 119.798 0.178 2.105 506 HG LEU 69 HG LEU 69 122.526 -0.319 1.119 507 1HD1 LEU 69 1HD1 LEU 69 120.699 1.128 -0.395 508 2HD1 LEU 69 2HD1 LEU 69 122.454 1.134 -0.552 509 3HD1 LEU 69 3HD1 LEU 69 121.653 2.330 0.461 510 1HD2 LEU 69 1HD2 LEU 69 122.327 0.452 3.362 511 2HD2 LEU 69 2HD2 LEU 69 121.215 1.733 2.879 512 3HD2 LEU 69 3HD2 LEU 69 122.909 1.804 2.390 513 H LYS 70 H LYS 70 119.322 -2.351 0.042 514 HA LYS 70 HA LYS 70 116.763 -2.912 1.060 515 1HB LYS 70 1HB LYS 70 118.250 -3.597 -1.436 516 2HB LYS 70 2HB LYS 70 116.741 -4.435 -1.108 517 1HG LYS 70 1HG LYS 70 115.472 -2.575 -1.425 518 2HG LYS 70 2HG LYS 70 116.747 -1.481 -0.872 519 1HD LYS 70 1HD LYS 70 116.357 -1.212 -3.262 520 2HD LYS 70 2HD LYS 70 117.969 -1.866 -2.965 521 1HE LYS 70 1HE LYS 70 117.385 -3.359 -4.544 522 2HE LYS 70 2HE LYS 70 116.546 -4.149 -3.210 523 1HZ LYS 70 1HZ LYS 70 115.370 -3.467 -5.496 524 2HZ LYS 70 2HZ LYS 70 115.052 -2.075 -4.587 525 3HZ LYS 70 3HZ LYS 70 114.541 -3.587 -4.025 526 H LYS 71 H LYS 71 119.686 -4.718 1.067 527 HA LYS 71 HA LYS 71 118.437 -7.265 1.594 528 1HB LYS 71 1HB LYS 71 121.269 -6.274 1.328 529 2HB LYS 71 2HB LYS 71 120.930 -7.891 1.957 530 1HG LYS 71 1HG LYS 71 119.734 -8.439 -0.089 531 2HG LYS 71 2HG LYS 71 120.036 -6.814 -0.708 532 1HD LYS 71 1HD LYS 71 121.938 -7.577 -1.584 533 2HD LYS 71 2HD LYS 71 122.542 -7.814 0.056 534 1HE LYS 71 1HE LYS 71 121.250 -9.799 -1.782 535 2HE LYS 71 2HE LYS 71 122.807 -9.902 -0.961 536 1HZ LYS 71 1HZ LYS 71 121.541 -11.276 0.328 537 2HZ LYS 71 2HZ LYS 71 120.115 -10.398 0.092 538 3HZ LYS 71 3HZ LYS 71 121.298 -9.817 1.151 539 H LYS 72 H LYS 72 119.820 -4.640 3.397 540 HA LYS 72 HA LYS 72 119.797 -6.179 5.869 541 1HB LYS 72 1HB LYS 72 121.780 -4.872 5.600 542 2HB LYS 72 2HB LYS 72 120.854 -3.444 5.165 543 1HG LYS 72 1HG LYS 72 120.122 -4.434 7.785 544 2HG LYS 72 2HG LYS 72 121.850 -4.084 7.669 545 1HD LYS 72 1HD LYS 72 121.327 -1.943 8.018 546 2HD LYS 72 2HD LYS 72 120.623 -1.935 6.402 547 1HE LYS 72 1HE LYS 72 119.067 -1.079 8.102 548 2HE LYS 72 2HE LYS 72 118.457 -2.529 7.308 549 1HZ LYS 72 1HZ LYS 72 119.967 -3.179 9.631 550 2HZ LYS 72 2HZ LYS 72 118.372 -3.587 9.241 551 3HZ LYS 72 3HZ LYS 72 118.705 -2.118 10.011 552 H ALA 73 H ALA 73 118.052 -3.840 4.096 553 HA ALA 73 HA ALA 73 116.508 -2.811 6.293 554 1HB ALA 73 1HB ALA 73 116.699 -2.360 3.378 555 2HB ALA 73 2HB ALA 73 116.654 -1.197 4.701 556 3HB ALA 73 3HB ALA 73 115.165 -1.966 4.151 557 H GLU 74 H GLU 74 116.490 -5.756 4.897 558 HA GLU 74 HA GLU 74 114.994 -7.473 4.985 559 1HB GLU 74 1HB GLU 74 112.933 -5.527 6.017 560 2HB GLU 74 2HB GLU 74 112.954 -7.270 6.212 561 1HG GLU 74 1HG GLU 74 114.800 -5.276 7.495 562 2HG GLU 74 2HG GLU 74 113.564 -6.255 8.283 563 H LEU 75 H LEU 75 115.040 -5.097 2.893 564 HA LEU 75 HA LEU 75 112.857 -6.236 1.348 565 1HB LEU 75 1HB LEU 75 112.835 -3.605 0.524 566 2HB LEU 75 2HB LEU 75 111.616 -4.417 1.497 567 HG LEU 75 HG LEU 75 113.444 -3.622 3.365 568 1HD1 LEU 75 1HD1 LEU 75 113.401 -1.610 1.139 569 2HD1 LEU 75 2HD1 LEU 75 114.797 -2.291 1.977 570 3HD1 LEU 75 3HD1 LEU 75 113.732 -1.158 2.815 571 1HD2 LEU 75 1HD2 LEU 75 110.860 -2.577 2.338 572 2HD2 LEU 75 2HD2 LEU 75 111.731 -1.624 3.542 573 3HD2 LEU 75 3HD2 LEU 75 111.252 -3.282 3.907 574 H PHE 76 H PHE 76 114.754 -7.377 0.465 575 HA PHE 76 HA PHE 76 115.768 -5.854 -1.841 576 1HB PHE 76 1HB PHE 76 117.780 -6.065 -0.726 577 2HB PHE 76 2HB PHE 76 117.321 -7.582 0.050 578 HD1 PHE 76 HD1 PHE 76 117.730 -9.685 -1.031 579 HD2 PHE 76 HD2 PHE 76 118.583 -6.023 -3.027 580 HE1 PHE 76 HE1 PHE 76 119.003 -10.917 -2.741 581 HE2 PHE 76 HE2 PHE 76 119.854 -7.249 -4.740 582 HZ PHE 76 HZ PHE 76 120.066 -9.698 -4.598 Start of MODEL 19 1 HT1 PRO 9 HT1 PRO 9 102.013 13.359 -5.207 2 HT2 PRO 9 HT2 PRO 9 103.396 12.996 -4.393 3 HA PRO 9 HA PRO 9 102.951 13.660 -7.037 4 1HB PRO 9 1HB PRO 9 105.532 14.717 -6.568 5 2HB PRO 9 2HB PRO 9 104.105 15.585 -7.150 6 1HG PRO 9 1HG PRO 9 105.183 15.348 -4.390 7 2HG PRO 9 2HG PRO 9 104.328 16.700 -5.153 8 1HD PRO 9 1HD PRO 9 103.095 15.153 -3.368 9 2HD PRO 9 2HD PRO 9 102.232 15.732 -4.805 10 H GLY 10 H GLY 10 103.459 11.711 -7.808 11 1HA GLY 10 1HA GLY 10 105.385 10.302 -8.433 12 2HA GLY 10 2HA GLY 10 105.887 10.393 -6.753 13 H LEU 11 H LEU 11 105.445 8.711 -5.560 14 HA LEU 11 HA LEU 11 103.200 6.980 -6.346 15 1HB LEU 11 1HB LEU 11 104.798 5.341 -4.884 16 2HB LEU 11 2HB LEU 11 104.776 5.423 -6.636 17 HG LEU 11 HG LEU 11 106.614 7.293 -6.210 18 1HD1 LEU 11 1HD1 LEU 11 108.072 6.390 -4.310 19 2HD1 LEU 11 2HD1 LEU 11 106.593 5.630 -3.718 20 3HD1 LEU 11 3HD1 LEU 11 106.681 7.385 -3.879 21 1HD2 LEU 11 1HD2 LEU 11 106.617 4.819 -7.228 22 2HD2 LEU 11 2HD2 LEU 11 107.661 4.560 -5.832 23 3HD2 LEU 11 3HD2 LEU 11 108.080 5.784 -7.031 24 H GLN 12 H GLN 12 102.323 5.662 -4.532 25 HA GLN 12 HA GLN 12 101.684 7.396 -2.336 26 1HB GLN 12 1HB GLN 12 100.529 5.101 -1.572 27 2HB GLN 12 2HB GLN 12 99.809 6.182 -2.756 28 1HG GLN 12 1HG GLN 12 101.633 4.047 -3.727 29 2HG GLN 12 2HG GLN 12 100.022 3.592 -3.178 30 1HE2 GLN 12 1HE2 GLN 12 101.531 3.912 -5.868 31 2HE2 GLN 12 2HE2 GLN 12 100.364 4.701 -6.867 32 H ILE 13 H ILE 13 102.425 7.376 -0.300 33 HA ILE 13 HA ILE 13 104.649 5.579 0.298 34 HB ILE 13 HB ILE 13 103.835 7.800 2.121 35 1HG1 ILE 13 1HG1 ILE 13 103.848 8.733 -0.196 36 2HG1 ILE 13 2HG1 ILE 13 105.104 9.407 0.840 37 1HG2 ILE 13 1HG2 ILE 13 106.301 6.260 1.469 38 2HG2 ILE 13 2HG2 ILE 13 105.601 6.655 3.040 39 3HG2 ILE 13 3HG2 ILE 13 106.455 7.893 2.120 40 1HD1 ILE 13 1HD1 ILE 13 105.914 8.942 -1.416 41 2HD1 ILE 13 2HD1 ILE 13 105.518 7.237 -1.199 42 3HD1 ILE 13 3HD1 ILE 13 106.762 7.988 -0.198 43 H TYR 14 H TYR 14 104.583 4.048 1.845 44 HA TYR 14 HA TYR 14 102.302 3.992 3.697 45 1HB TYR 14 1HB TYR 14 103.312 1.631 2.092 46 2HB TYR 14 2HB TYR 14 102.035 1.580 3.302 47 HD1 TYR 14 HD1 TYR 14 102.846 2.198 -0.140 48 HD2 TYR 14 HD2 TYR 14 99.898 2.863 2.855 49 HE1 TYR 14 HE1 TYR 14 101.190 2.674 -1.887 50 HE2 TYR 14 HE2 TYR 14 98.231 3.346 1.114 51 HH TYR 14 HH TYR 14 98.549 2.529 -2.014 52 HA PRO 15 HA PRO 15 104.983 2.934 7.045 53 1HB PRO 15 1HB PRO 15 104.057 0.317 7.630 54 2HB PRO 15 2HB PRO 15 103.549 1.824 8.402 55 1HG PRO 15 1HG PRO 15 102.247 0.275 6.226 56 2HG PRO 15 2HG PRO 15 101.515 1.278 7.491 57 1HD PRO 15 1HD PRO 15 101.649 2.121 4.955 58 2HD PRO 15 2HD PRO 15 101.877 3.248 6.311 59 H TYR 16 H TYR 16 106.633 1.255 7.745 60 HA TYR 16 HA TYR 16 107.987 0.304 5.381 61 1HB TYR 16 1HB TYR 16 109.480 1.316 6.839 62 2HB TYR 16 2HB TYR 16 108.712 0.625 8.268 63 HD1 TYR 16 HD1 TYR 16 109.319 -1.520 9.078 64 HD2 TYR 16 HD2 TYR 16 111.014 -0.041 5.476 65 HE1 TYR 16 HE1 TYR 16 110.999 -3.322 9.139 66 HE2 TYR 16 HE2 TYR 16 112.700 -1.830 5.509 67 HH TYR 16 HH TYR 16 113.762 -3.320 7.219 68 H GLU 17 H GLU 17 107.211 -1.240 8.516 69 HA GLU 17 HA GLU 17 107.785 -3.840 7.961 70 1HB GLU 17 1HB GLU 17 105.415 -2.777 9.508 71 2HB GLU 17 2HB GLU 17 105.935 -4.456 9.536 72 1HG GLU 17 1HG GLU 17 108.198 -2.855 10.098 73 2HG GLU 17 2HG GLU 17 106.863 -2.270 11.095 74 H MET 18 H MET 18 104.718 -2.215 7.153 75 HA MET 18 HA MET 18 103.562 -4.507 5.930 76 1HB MET 18 1HB MET 18 102.903 -1.588 5.482 77 2HB MET 18 2HB MET 18 101.884 -2.957 5.057 78 1HG MET 18 1HG MET 18 102.226 -3.437 7.677 79 2HG MET 18 2HG MET 18 102.355 -1.675 7.667 80 1HE MET 18 1HE MET 18 100.781 -0.895 8.787 81 2HE MET 18 2HE MET 18 99.368 -1.855 9.224 82 3HE MET 18 3HE MET 18 99.204 -0.503 8.104 83 H LEU 19 H LEU 19 105.685 -1.977 4.866 84 HA LEU 19 HA LEU 19 105.400 -2.634 2.058 85 1HB LEU 19 1HB LEU 19 106.900 -0.601 3.642 86 2HB LEU 19 2HB LEU 19 107.365 -0.915 1.979 87 HG LEU 19 HG LEU 19 104.665 0.039 2.930 88 1HD1 LEU 19 1HD1 LEU 19 106.613 1.648 2.963 89 2HD1 LEU 19 2HD1 LEU 19 105.219 2.127 1.993 90 3HD1 LEU 19 3HD1 LEU 19 106.659 1.480 1.208 91 1HD2 LEU 19 1HD2 LEU 19 105.555 -1.194 0.452 92 2HD2 LEU 19 2HD2 LEU 19 104.802 0.382 0.210 93 3HD2 LEU 19 3HD2 LEU 19 103.923 -0.896 1.047 94 H VAL 20 H VAL 20 106.932 -4.175 4.492 95 HA VAL 20 HA VAL 20 109.564 -4.495 3.516 96 HB VAL 20 HB VAL 20 108.016 -6.507 5.158 97 1HG1 VAL 20 1HG1 VAL 20 110.899 -6.055 4.548 98 2HG1 VAL 20 2HG1 VAL 20 109.986 -7.565 4.582 99 3HG1 VAL 20 3HG1 VAL 20 110.425 -6.759 6.092 100 1HG2 VAL 20 1HG2 VAL 20 108.550 -5.361 7.091 101 2HG2 VAL 20 2HG2 VAL 20 108.108 -4.064 5.983 102 3HG2 VAL 20 3HG2 VAL 20 109.804 -4.407 6.302 103 H VAL 21 H VAL 21 110.493 -6.169 2.280 104 HA VAL 21 HA VAL 21 108.825 -7.075 0.146 105 HB VAL 21 HB VAL 21 111.717 -7.675 0.767 106 1HG1 VAL 21 1HG1 VAL 21 111.192 -7.923 -1.992 107 2HG1 VAL 21 2HG1 VAL 21 109.976 -8.880 -1.148 108 3HG1 VAL 21 3HG1 VAL 21 111.690 -9.180 -0.860 109 1HG2 VAL 21 1HG2 VAL 21 111.130 -5.295 0.359 110 2HG2 VAL 21 2HG2 VAL 21 110.541 -5.758 -1.239 111 3HG2 VAL 21 3HG2 VAL 21 112.243 -5.970 -0.830 112 H THR 22 H THR 22 111.009 -9.028 2.204 113 HA THR 22 HA THR 22 109.169 -11.283 1.806 114 HB THR 22 HB THR 22 112.086 -11.251 2.594 115 HG1 THR 22 HG1 THR 22 111.785 -10.807 0.420 116 1HG2 THR 22 1HG2 THR 22 112.015 -13.683 2.181 117 2HG2 THR 22 2HG2 THR 22 110.258 -13.586 2.095 118 3HG2 THR 22 3HG2 THR 22 111.090 -13.186 3.597 119 H ASN 23 H ASN 23 111.523 -10.513 4.309 120 HA ASN 23 HA ASN 23 110.853 -11.791 6.452 121 1HB ASN 23 1HB ASN 23 111.167 -8.789 6.520 122 2HB ASN 23 2HB ASN 23 111.448 -9.896 7.866 123 1HD2 ASN 23 1HD2 ASN 23 112.583 -8.875 4.710 124 2HD2 ASN 23 2HD2 ASN 23 114.188 -9.495 4.879 125 H LYS 24 H LYS 24 108.990 -8.795 5.771 126 HA LYS 24 HA LYS 24 106.845 -9.944 7.435 127 1HB LYS 24 1HB LYS 24 107.613 -7.057 7.021 128 2HB LYS 24 2HB LYS 24 106.150 -7.576 7.854 129 1HG LYS 24 1HG LYS 24 107.370 -7.507 9.711 130 2HG LYS 24 2HG LYS 24 108.115 -9.000 9.137 131 1HD LYS 24 1HD LYS 24 109.468 -6.953 7.806 132 2HD LYS 24 2HD LYS 24 109.268 -6.369 9.460 133 1HE LYS 24 1HE LYS 24 110.090 -9.172 9.273 134 2HE LYS 24 2HE LYS 24 111.256 -8.037 8.593 135 1HZ LYS 24 1HZ LYS 24 111.648 -7.085 10.609 136 2HZ LYS 24 2HZ LYS 24 111.274 -8.651 11.126 137 3HZ LYS 24 3HZ LYS 24 110.108 -7.432 11.219 138 H GLY 25 H GLY 25 107.231 -10.249 4.491 139 1HA GLY 25 1HA GLY 25 104.585 -10.105 3.683 140 2HA GLY 25 2HA GLY 25 105.319 -8.591 3.181 141 H ARG 26 H ARG 26 104.659 -9.421 1.044 142 HA ARG 26 HA ARG 26 106.894 -10.830 -0.183 143 1HB ARG 26 1HB ARG 26 105.551 -12.703 0.109 144 2HB ARG 26 2HB ARG 26 104.070 -11.801 -0.144 145 1HG ARG 26 1HG ARG 26 105.637 -11.711 -2.532 146 2HG ARG 26 2HG ARG 26 105.481 -13.382 -1.987 147 1HD ARG 26 1HD ARG 26 102.996 -12.833 -1.682 148 2HD ARG 26 2HD ARG 26 103.322 -11.427 -2.683 149 HE ARG 26 HE ARG 26 104.233 -13.896 -3.837 150 1HH1 ARG 26 1HH1 ARG 26 101.512 -11.742 -3.476 151 2HH1 ARG 26 2HH1 ARG 26 100.727 -12.290 -4.920 152 1HH2 ARG 26 1HH2 ARG 26 103.203 -14.618 -5.736 153 2HH2 ARG 26 2HH2 ARG 26 101.686 -13.924 -6.203 154 H THR 27 H THR 27 103.710 -10.164 -1.504 155 HA THR 27 HA THR 27 104.706 -7.851 -2.944 156 HB THR 27 HB THR 27 104.017 -10.463 -4.119 157 HG1 THR 27 HG1 THR 27 105.921 -9.989 -4.821 158 1HG2 THR 27 1HG2 THR 27 102.108 -9.277 -4.947 159 2HG2 THR 27 2HG2 THR 27 103.273 -9.513 -6.250 160 3HG2 THR 27 3HG2 THR 27 103.125 -7.935 -5.473 161 H LYS 28 H LYS 28 102.644 -8.842 -0.870 162 HA LYS 28 HA LYS 28 100.174 -7.848 -2.016 163 1HB LYS 28 1HB LYS 28 100.824 -9.088 0.637 164 2HB LYS 28 2HB LYS 28 99.201 -8.684 0.090 165 1HG LYS 28 1HG LYS 28 99.287 -10.925 -0.385 166 2HG LYS 28 2HG LYS 28 99.794 -10.225 -1.923 167 1HD LYS 28 1HD LYS 28 101.225 -12.102 -1.267 168 2HD LYS 28 2HD LYS 28 102.132 -10.588 -1.338 169 1HE LYS 28 1HE LYS 28 102.702 -10.760 0.810 170 2HE LYS 28 2HE LYS 28 101.022 -10.986 1.292 171 1HZ LYS 28 1HZ LYS 28 101.196 -13.301 1.004 172 2HZ LYS 28 2HZ LYS 28 102.589 -12.848 1.850 173 3HZ LYS 28 3HZ LYS 28 102.678 -13.184 0.196 174 H LEU 29 H LEU 29 102.346 -6.026 -1.493 175 HA LEU 29 HA LEU 29 102.048 -4.573 0.895 176 1HB LEU 29 1HB LEU 29 102.581 -2.873 -1.406 177 2HB LEU 29 2HB LEU 29 103.504 -3.062 0.058 178 HG LEU 29 HG LEU 29 103.859 -4.326 -2.611 179 1HD1 LEU 29 1HD1 LEU 29 105.357 -2.754 -0.687 180 2HD1 LEU 29 2HD1 LEU 29 105.560 -2.926 -2.430 181 3HD1 LEU 29 3HD1 LEU 29 106.272 -4.112 -1.339 182 1HD2 LEU 29 1HD2 LEU 29 105.497 -5.780 -0.869 183 2HD2 LEU 29 2HD2 LEU 29 104.143 -6.399 -1.808 184 3HD2 LEU 29 3HD2 LEU 29 103.893 -5.850 -0.150 185 HA PRO 30 HA PRO 30 98.332 -2.173 0.585 186 1HB PRO 30 1HB PRO 30 99.325 0.438 0.167 187 2HB PRO 30 2HB PRO 30 98.907 -0.295 1.719 188 1HG PRO 30 1HG PRO 30 101.564 0.008 0.417 189 2HG PRO 30 2HG PRO 30 101.143 0.024 2.142 190 1HD PRO 30 1HD PRO 30 102.348 -2.084 1.015 191 2HD PRO 30 2HD PRO 30 101.121 -2.292 2.282 192 HA PRO 31 HA PRO 31 97.302 -1.298 -3.615 193 1HB PRO 31 1HB PRO 31 96.516 1.509 -3.183 194 2HB PRO 31 2HB PRO 31 95.533 0.128 -3.687 195 1HG PRO 31 1HG PRO 31 95.297 1.201 -1.239 196 2HG PRO 31 2HG PRO 31 95.122 -0.542 -1.515 197 1HD PRO 31 1HD PRO 31 97.463 0.979 -0.430 198 2HD PRO 31 2HD PRO 31 96.788 -0.577 0.100 199 H GLY 32 H GLY 32 99.087 -1.273 -4.920 200 1HA GLY 32 1HA GLY 32 100.227 -0.059 -6.613 201 2HA GLY 32 2HA GLY 32 100.111 1.381 -5.624 202 H VAL 33 H VAL 33 101.456 -1.841 -4.780 203 HA VAL 33 HA VAL 33 104.102 -0.617 -4.681 204 HB VAL 33 HB VAL 33 103.730 -2.357 -2.450 205 1HG1 VAL 33 1HG1 VAL 33 104.532 0.459 -2.175 206 2HG1 VAL 33 2HG1 VAL 33 105.541 -0.592 -3.168 207 3HG1 VAL 33 3HG1 VAL 33 105.241 -0.998 -1.482 208 1HG2 VAL 33 1HG2 VAL 33 101.481 -1.262 -2.542 209 2HG2 VAL 33 2HG2 VAL 33 102.306 0.270 -2.259 210 3HG2 VAL 33 3HG2 VAL 33 102.391 -1.018 -1.054 211 H ASP 34 H ASP 34 105.782 -1.812 -5.095 212 HA ASP 34 HA ASP 34 105.545 -4.708 -5.288 213 1HB ASP 34 1HB ASP 34 104.974 -3.707 -7.544 214 2HB ASP 34 2HB ASP 34 106.616 -3.067 -7.594 215 H ARG 35 H ARG 35 107.497 -5.751 -4.928 216 HA ARG 35 HA ARG 35 109.420 -4.477 -3.403 217 1HB ARG 35 1HB ARG 35 110.020 -6.910 -5.070 218 2HB ARG 35 2HB ARG 35 110.692 -6.472 -3.507 219 1HG ARG 35 1HG ARG 35 109.191 -7.854 -2.632 220 2HG ARG 35 2HG ARG 35 107.989 -6.615 -3.007 221 1HD ARG 35 1HD ARG 35 107.234 -8.714 -3.883 222 2HD ARG 35 2HD ARG 35 107.684 -7.668 -5.230 223 HE ARG 35 HE ARG 35 109.807 -9.398 -4.381 224 1HH1 ARG 35 1HH1 ARG 35 106.951 -9.171 -6.373 225 2HH1 ARG 35 2HH1 ARG 35 107.453 -10.426 -7.455 226 1HH2 ARG 35 1HH2 ARG 35 110.469 -11.050 -5.803 227 2HH2 ARG 35 2HH2 ARG 35 109.450 -11.494 -7.131 228 H MET 36 H MET 36 109.090 -4.488 -6.828 229 HA MET 36 HA MET 36 111.632 -4.262 -7.801 230 1HB MET 36 1HB MET 36 109.125 -3.863 -8.819 231 2HB MET 36 2HB MET 36 109.807 -2.245 -8.909 232 1HG MET 36 1HG MET 36 111.821 -3.376 -10.029 233 2HG MET 36 2HG MET 36 110.738 -4.756 -10.244 234 1HE MET 36 1HE MET 36 111.552 -3.057 -13.473 235 2HE MET 36 2HE MET 36 110.287 -4.285 -13.528 236 3HE MET 36 3HE MET 36 111.663 -4.484 -12.442 237 H ARG 37 H ARG 37 109.742 -1.698 -6.232 238 HA ARG 37 HA ARG 37 112.244 -0.235 -5.808 239 1HB ARG 37 1HB ARG 37 110.824 1.903 -6.246 240 2HB ARG 37 2HB ARG 37 111.517 1.027 -7.600 241 1HG ARG 37 1HG ARG 37 108.958 -0.076 -7.082 242 2HG ARG 37 2HG ARG 37 108.801 1.682 -7.103 243 1HD ARG 37 1HD ARG 37 109.439 1.851 -9.298 244 2HD ARG 37 2HD ARG 37 110.401 0.373 -9.244 245 HE ARG 37 HE ARG 37 107.880 -0.540 -8.952 246 1HH1 ARG 37 1HH1 ARG 37 109.366 1.602 -11.272 247 2HH1 ARG 37 2HH1 ARG 37 108.297 1.155 -12.557 248 1HH2 ARG 37 1HH2 ARG 37 106.473 -1.130 -10.643 249 2HH2 ARG 37 2HH2 ARG 37 106.655 -0.396 -12.201 250 H LEU 38 H LEU 38 110.639 -1.847 -4.022 251 HA LEU 38 HA LEU 38 108.887 -0.495 -2.415 252 1HB LEU 38 1HB LEU 38 110.546 -2.848 -2.235 253 2HB LEU 38 2HB LEU 38 110.405 -2.052 -0.672 254 HG LEU 38 HG LEU 38 108.088 -2.908 -2.412 255 1HD1 LEU 38 1HD1 LEU 38 109.567 -4.184 -0.176 256 2HD1 LEU 38 2HD1 LEU 38 108.769 -4.911 -1.572 257 3HD1 LEU 38 3HD1 LEU 38 107.812 -4.351 -0.200 258 1HD2 LEU 38 1HD2 LEU 38 107.060 -2.438 0.019 259 2HD2 LEU 38 2HD2 LEU 38 107.126 -1.237 -1.269 260 3HD2 LEU 38 3HD2 LEU 38 108.351 -1.239 -0.003 261 H GLU 39 H GLU 39 112.409 -0.272 -2.433 262 HA GLU 39 HA GLU 39 112.581 1.229 -0.029 263 1HB GLU 39 1HB GLU 39 114.856 1.460 -0.454 264 2HB GLU 39 2HB GLU 39 114.452 -0.079 -1.202 265 1HG GLU 39 1HG GLU 39 114.905 2.559 -2.564 266 2HG GLU 39 2HG GLU 39 115.897 1.106 -2.670 267 H ARG 40 H ARG 40 111.002 2.052 -2.701 268 HA ARG 40 HA ARG 40 111.775 4.887 -2.556 269 1HB ARG 40 1HB ARG 40 111.713 3.258 -4.759 270 2HB ARG 40 2HB ARG 40 110.137 4.030 -4.833 271 1HG ARG 40 1HG ARG 40 112.544 5.723 -4.394 272 2HG ARG 40 2HG ARG 40 112.221 5.090 -6.009 273 1HD ARG 40 1HD ARG 40 109.892 6.034 -5.780 274 2HD ARG 40 2HD ARG 40 110.457 6.858 -4.328 275 HE ARG 40 HE ARG 40 111.580 8.356 -5.649 276 1HH1 ARG 40 1HH1 ARG 40 110.627 5.617 -7.591 277 2HH1 ARG 40 2HH1 ARG 40 111.084 6.361 -9.087 278 1HH2 ARG 40 1HH2 ARG 40 112.182 9.335 -7.615 279 2HH2 ARG 40 2HH2 ARG 40 111.966 8.471 -9.101 280 H HIS 41 H HIS 41 109.420 2.583 -1.876 281 HA HIS 41 HA HIS 41 107.160 4.396 -1.987 282 1HB HIS 41 1HB HIS 41 107.596 1.488 -1.655 283 2HB HIS 41 2HB HIS 41 106.212 2.158 -0.805 284 HD1 HIS 41 HD1 HIS 41 104.534 3.602 -2.443 285 HD2 HIS 41 HD2 HIS 41 107.108 0.881 -4.241 286 HE1 HIS 41 HE1 HIS 41 103.584 3.185 -4.733 287 HE2 HIS 41 HE2 HIS 41 105.200 1.599 -5.831 288 H LEU 42 H LEU 42 109.646 3.806 0.127 289 HA LEU 42 HA LEU 42 108.157 3.985 2.583 290 1HB LEU 42 1HB LEU 42 111.109 4.100 1.980 291 2HB LEU 42 2HB LEU 42 110.423 4.097 3.598 292 HG LEU 42 HG LEU 42 109.501 1.870 1.942 293 1HD1 LEU 42 1HD1 LEU 42 112.091 2.454 1.469 294 2HD1 LEU 42 2HD1 LEU 42 111.412 0.826 1.442 295 3HD1 LEU 42 3HD1 LEU 42 112.238 1.412 2.889 296 1HD2 LEU 42 1HD2 LEU 42 109.947 0.643 3.961 297 2HD2 LEU 42 2HD2 LEU 42 109.099 2.140 4.344 298 3HD2 LEU 42 3HD2 LEU 42 110.836 2.014 4.628 299 H SER 43 H SER 43 108.002 5.744 3.904 300 HA SER 43 HA SER 43 108.302 8.320 2.654 301 1HB SER 43 1HB SER 43 107.612 8.888 5.234 302 2HB SER 43 2HB SER 43 106.451 8.513 3.955 303 HG SER 43 HG SER 43 106.805 7.205 6.188 304 H ALA 44 H ALA 44 109.329 10.138 3.944 305 HA ALA 44 HA ALA 44 112.041 9.796 4.152 306 1HB ALA 44 1HB ALA 44 110.138 11.825 5.141 307 2HB ALA 44 2HB ALA 44 111.593 12.013 4.162 308 3HB ALA 44 3HB ALA 44 111.726 11.811 5.909 309 H GLU 45 H GLU 45 109.663 9.566 6.767 310 HA GLU 45 HA GLU 45 111.490 9.078 8.852 311 1HB GLU 45 1HB GLU 45 109.361 7.719 9.748 312 2HB GLU 45 2HB GLU 45 109.453 9.473 9.790 313 1HG GLU 45 1HG GLU 45 108.324 8.269 7.342 314 2HG GLU 45 2HG GLU 45 107.365 8.126 8.814 315 H ASP 46 H ASP 46 109.480 6.787 7.032 316 HA ASP 46 HA ASP 46 110.519 4.441 8.062 317 1HB ASP 46 1HB ASP 46 109.178 5.153 5.484 318 2HB ASP 46 2HB ASP 46 109.867 3.539 5.676 319 H PHE 47 H PHE 47 111.488 6.048 5.010 320 HA PHE 47 HA PHE 47 113.559 4.320 4.357 321 1HB PHE 47 1HB PHE 47 112.473 6.288 3.033 322 2HB PHE 47 2HB PHE 47 113.753 7.253 3.771 323 HD1 PHE 47 HD1 PHE 47 113.221 4.129 1.833 324 HD2 PHE 47 HD2 PHE 47 115.814 7.373 2.758 325 HE1 PHE 47 HE1 PHE 47 114.799 3.373 0.090 326 HE2 PHE 47 HE2 PHE 47 117.390 6.623 1.022 327 HZ PHE 47 HZ PHE 47 116.876 4.625 -0.318 328 H SER 48 H SER 48 113.848 7.508 5.932 329 HA SER 48 HA SER 48 116.586 7.276 6.505 330 1HB SER 48 1HB SER 48 114.917 9.334 6.592 331 2HB SER 48 2HB SER 48 114.824 8.892 8.297 332 HG SER 48 HG SER 48 116.501 10.305 8.126 333 H ARG 49 H ARG 49 113.922 5.708 7.931 334 HA ARG 49 HA ARG 49 115.248 5.339 10.499 335 1HB ARG 49 1HB ARG 49 112.851 5.759 10.531 336 2HB ARG 49 2HB ARG 49 112.569 4.377 9.482 337 1HG ARG 49 1HG ARG 49 112.320 3.112 11.277 338 2HG ARG 49 2HG ARG 49 114.012 3.406 11.686 339 1HD ARG 49 1HD ARG 49 111.624 5.035 12.548 340 2HD ARG 49 2HD ARG 49 112.620 3.990 13.567 341 HE ARG 49 HE ARG 49 114.133 6.053 12.280 342 1HH1 ARG 49 1HH1 ARG 49 112.078 5.338 15.009 343 2HH1 ARG 49 2HH1 ARG 49 112.735 6.601 15.994 344 1HH2 ARG 49 1HH2 ARG 49 114.999 7.713 13.574 345 2HH2 ARG 49 2HH2 ARG 49 114.394 7.950 15.179 346 H VAL 50 H VAL 50 114.560 3.588 7.550 347 HA VAL 50 HA VAL 50 115.538 1.090 8.705 348 HB VAL 50 HB VAL 50 114.645 1.531 5.859 349 1HG1 VAL 50 1HG1 VAL 50 114.527 -1.015 7.435 350 2HG1 VAL 50 2HG1 VAL 50 115.998 -0.520 6.598 351 3HG1 VAL 50 3HG1 VAL 50 114.512 -0.787 5.687 352 1HG2 VAL 50 1HG2 VAL 50 112.808 0.252 7.788 353 2HG2 VAL 50 2HG2 VAL 50 112.461 1.267 6.389 354 3HG2 VAL 50 3HG2 VAL 50 112.982 2.003 7.905 355 H PHE 51 H PHE 51 116.424 3.482 6.262 356 HA PHE 51 HA PHE 51 118.932 2.032 5.785 357 1HB PHE 51 1HB PHE 51 117.667 4.283 4.215 358 2HB PHE 51 2HB PHE 51 119.160 3.449 3.788 359 HD1 PHE 51 HD1 PHE 51 118.769 0.730 3.868 360 HD2 PHE 51 HD2 PHE 51 115.870 3.698 2.953 361 HE1 PHE 51 HE1 PHE 51 117.486 -0.926 2.571 362 HE2 PHE 51 HE2 PHE 51 114.576 2.045 1.656 363 HZ PHE 51 HZ PHE 51 115.398 -0.262 1.462 364 H ALA 52 H ALA 52 117.655 5.123 6.874 365 HA ALA 52 HA ALA 52 118.633 6.749 8.170 366 1HB ALA 52 1HB ALA 52 121.271 5.345 7.989 367 2HB ALA 52 2HB ALA 52 119.999 4.776 9.072 368 3HB ALA 52 3HB ALA 52 120.665 6.398 9.267 369 H MET 53 H MET 53 118.871 6.329 5.123 370 HA MET 53 HA MET 53 120.684 8.593 4.655 371 1HB MET 53 1HB MET 53 120.823 7.220 2.307 372 2HB MET 53 2HB MET 53 122.034 7.168 3.584 373 1HG MET 53 1HG MET 53 121.419 5.089 4.285 374 2HG MET 53 2HG MET 53 119.749 5.282 3.747 375 1HE MET 53 1HE MET 53 119.188 5.671 1.300 376 2HE MET 53 2HE MET 53 119.967 4.822 -0.038 377 3HE MET 53 3HE MET 53 120.627 6.350 0.535 378 H SER 54 H SER 54 120.237 9.746 2.664 379 HA SER 54 HA SER 54 117.489 10.419 2.516 380 1HB SER 54 1HB SER 54 119.414 11.995 2.199 381 2HB SER 54 2HB SER 54 119.715 11.228 0.635 382 HG SER 54 HG SER 54 117.388 11.793 0.244 383 HA PRO 55 HA PRO 55 115.886 7.610 -0.537 384 1HB PRO 55 1HB PRO 55 114.612 10.089 -1.613 385 2HB PRO 55 2HB PRO 55 113.882 8.521 -1.249 386 1HG PRO 55 1HG PRO 55 113.537 10.600 0.386 387 2HG PRO 55 2HG PRO 55 113.752 8.957 1.024 388 1HD PRO 55 1HD PRO 55 115.661 11.241 0.983 389 2HD PRO 55 2HD PRO 55 115.495 9.925 2.166 390 H GLU 56 H GLU 56 117.341 10.685 -1.330 391 HA GLU 56 HA GLU 56 117.838 10.021 -4.086 392 1HB GLU 56 1HB GLU 56 118.930 12.140 -4.231 393 2HB GLU 56 2HB GLU 56 117.510 12.367 -3.214 394 1HG GLU 56 1HG GLU 56 119.039 13.499 -1.983 395 2HG GLU 56 2HG GLU 56 119.240 11.889 -1.285 396 H GLU 57 H GLU 57 119.530 9.932 -1.022 397 HA GLU 57 HA GLU 57 122.138 9.536 -1.866 398 1HB GLU 57 1HB GLU 57 120.621 8.947 0.610 399 2HB GLU 57 2HB GLU 57 121.997 7.891 0.328 400 1HG GLU 57 1HG GLU 57 123.098 10.305 -0.193 401 2HG GLU 57 2HG GLU 57 121.910 10.726 1.040 402 H PHE 58 H PHE 58 119.644 7.055 -1.245 403 HA PHE 58 HA PHE 58 120.990 4.739 -1.849 404 1HB PHE 58 1HB PHE 58 118.395 5.364 -1.368 405 2HB PHE 58 2HB PHE 58 118.298 5.004 -3.089 406 HD1 PHE 58 HD1 PHE 58 119.032 2.739 -3.893 407 HD2 PHE 58 HD2 PHE 58 118.518 3.651 0.231 408 HE1 PHE 58 HE1 PHE 58 118.874 0.338 -3.381 409 HE2 PHE 58 HE2 PHE 58 118.374 1.255 0.752 410 HZ PHE 58 HZ PHE 58 118.552 -0.409 -1.055 411 H GLY 59 H GLY 59 119.054 6.519 -4.275 412 1HA GLY 59 1HA GLY 59 119.916 5.136 -6.514 413 2HA GLY 59 2HA GLY 59 119.362 6.804 -6.534 414 H LYS 60 H LYS 60 121.620 7.513 -4.655 415 HA LYS 60 HA LYS 60 123.630 7.849 -6.750 416 1HB LYS 60 1HB LYS 60 123.113 9.249 -4.136 417 2HB LYS 60 2HB LYS 60 124.618 9.473 -5.024 418 1HG LYS 60 1HG LYS 60 123.151 10.111 -7.011 419 2HG LYS 60 2HG LYS 60 121.832 10.231 -5.840 420 1HD LYS 60 1HD LYS 60 122.980 11.933 -4.617 421 2HD LYS 60 2HD LYS 60 124.451 11.697 -5.561 422 1HE LYS 60 1HE LYS 60 122.168 12.275 -7.250 423 2HE LYS 60 2HE LYS 60 122.434 13.543 -6.052 424 1HZ LYS 60 1HZ LYS 60 123.700 13.430 -8.389 425 2HZ LYS 60 2HZ LYS 60 124.807 12.591 -7.424 426 3HZ LYS 60 3HZ LYS 60 124.353 14.166 -7.012 427 H LEU 61 H LEU 61 123.057 5.644 -4.380 428 HA LEU 61 HA LEU 61 125.679 5.431 -3.273 429 1HB LEU 61 1HB LEU 61 123.243 3.641 -3.193 430 2HB LEU 61 2HB LEU 61 124.708 3.328 -2.292 431 HG LEU 61 HG LEU 61 122.720 5.511 -1.872 432 1HD1 LEU 61 1HD1 LEU 61 123.586 3.073 -0.516 433 2HD1 LEU 61 2HD1 LEU 61 122.040 3.918 -0.466 434 3HD1 LEU 61 3HD1 LEU 61 123.383 4.476 0.533 435 1HD2 LEU 61 1HD2 LEU 61 124.422 6.194 -0.030 436 2HD2 LEU 61 2HD2 LEU 61 124.633 6.795 -1.675 437 3HD2 LEU 61 3HD2 LEU 61 125.604 5.440 -1.100 438 H ALA 62 H ALA 62 125.474 2.421 -3.532 439 HA ALA 62 HA ALA 62 126.391 2.148 -6.307 440 1HB ALA 62 1HB ALA 62 127.653 0.689 -4.006 441 2HB ALA 62 2HB ALA 62 128.254 2.235 -4.601 442 3HB ALA 62 3HB ALA 62 128.237 0.826 -5.662 443 H LEU 63 H LEU 63 126.524 -0.220 -6.961 444 HA LEU 63 HA LEU 63 123.963 -1.383 -6.660 445 1HB LEU 63 1HB LEU 63 125.597 -1.563 -8.613 446 2HB LEU 63 2HB LEU 63 126.400 -2.813 -7.680 447 HG LEU 63 HG LEU 63 123.575 -3.354 -7.814 448 1HD1 LEU 63 1HD1 LEU 63 124.980 -3.021 -10.459 449 2HD1 LEU 63 2HD1 LEU 63 123.600 -2.087 -9.880 450 3HD1 LEU 63 3HD1 LEU 63 123.420 -3.809 -10.217 451 1HD2 LEU 63 1HD2 LEU 63 124.302 -5.480 -8.108 452 2HD2 LEU 63 2HD2 LEU 63 125.805 -4.779 -7.507 453 3HD2 LEU 63 3HD2 LEU 63 125.570 -5.010 -9.240 454 H TRP 64 H TRP 64 126.974 -1.854 -4.981 455 HA TRP 64 HA TRP 64 126.122 -4.317 -3.742 456 1HB TRP 64 1HB TRP 64 128.312 -4.000 -2.517 457 2HB TRP 64 2HB TRP 64 128.455 -4.120 -4.276 458 HD1 TRP 64 HD1 TRP 64 129.465 -2.051 -5.520 459 HE1 TRP 64 HE1 TRP 64 130.360 0.229 -4.747 460 HE3 TRP 64 HE3 TRP 64 127.801 -2.191 -0.814 461 HZ2 TRP 64 HZ2 TRP 64 130.353 1.765 -2.327 462 HZ3 TRP 64 HZ3 TRP 64 128.281 -0.281 0.705 463 HH2 TRP 64 HH2 TRP 64 129.515 1.649 -0.051 464 H LYS 65 H LYS 65 126.410 -0.918 -3.134 465 HA LYS 65 HA LYS 65 125.835 -1.016 -0.338 466 1HB LYS 65 1HB LYS 65 126.837 0.916 -1.857 467 2HB LYS 65 2HB LYS 65 125.142 1.384 -1.967 468 1HG LYS 65 1HG LYS 65 124.981 1.759 0.343 469 2HG LYS 65 2HG LYS 65 126.493 0.902 0.670 470 1HD LYS 65 1HD LYS 65 127.687 2.672 -0.615 471 2HD LYS 65 2HD LYS 65 126.160 3.554 -0.728 472 1HE LYS 65 1HE LYS 65 126.881 4.549 1.160 473 2HE LYS 65 2HE LYS 65 126.270 3.079 1.933 474 1HZ LYS 65 1HZ LYS 65 128.601 3.787 2.533 475 2HZ LYS 65 2HZ LYS 65 129.063 3.320 0.974 476 3HZ LYS 65 3HZ LYS 65 128.419 2.177 2.042 477 H ARG 66 H ARG 66 123.881 0.072 -3.118 478 HA ARG 66 HA ARG 66 121.439 0.373 -1.895 479 1HB ARG 66 1HB ARG 66 122.026 -0.735 -4.644 480 2HB ARG 66 2HB ARG 66 120.445 -0.185 -4.113 481 1HG ARG 66 1HG ARG 66 121.300 2.054 -3.792 482 2HG ARG 66 2HG ARG 66 122.916 1.511 -4.245 483 1HD ARG 66 1HD ARG 66 120.604 1.125 -6.108 484 2HD ARG 66 2HD ARG 66 121.427 2.689 -6.009 485 HE ARG 66 HE ARG 66 123.183 0.437 -6.406 486 1HH1 ARG 66 1HH1 ARG 66 121.212 2.860 -7.964 487 2HH1 ARG 66 2HH1 ARG 66 122.090 2.794 -9.455 488 1HH2 ARG 66 1HH2 ARG 66 124.339 0.350 -8.367 489 2HH2 ARG 66 2HH2 ARG 66 123.863 1.369 -9.685 490 H ASN 67 H ASN 67 122.920 -2.546 -3.157 491 HA ASN 67 HA ASN 67 120.783 -4.315 -2.713 492 1HB ASN 67 1HB ASN 67 123.671 -4.544 -3.234 493 2HB ASN 67 2HB ASN 67 122.992 -5.896 -2.327 494 1HD2 ASN 67 1HD2 ASN 67 122.485 -3.933 -5.222 495 2HD2 ASN 67 2HD2 ASN 67 121.817 -5.204 -6.182 496 H GLU 68 H GLU 68 123.740 -4.119 -0.742 497 HA GLU 68 HA GLU 68 123.027 -5.565 1.420 498 1HB GLU 68 1HB GLU 68 125.145 -4.021 0.843 499 2HB GLU 68 2HB GLU 68 124.378 -3.007 2.059 500 1HG GLU 68 1HG GLU 68 125.901 -4.321 3.239 501 2HG GLU 68 2HG GLU 68 124.333 -5.070 3.534 502 H LEU 69 H LEU 69 122.112 -2.188 0.831 503 HA LEU 69 HA LEU 69 120.897 -1.742 3.330 504 1HB LEU 69 1HB LEU 69 120.037 -0.502 0.727 505 2HB LEU 69 2HB LEU 69 119.839 0.151 2.342 506 HG LEU 69 HG LEU 69 122.573 -0.383 1.397 507 1HD1 LEU 69 1HD1 LEU 69 120.881 1.053 -0.207 508 2HD1 LEU 69 2HD1 LEU 69 122.639 1.170 -0.194 509 3HD1 LEU 69 3HD1 LEU 69 121.670 2.295 0.757 510 1HD2 LEU 69 1HD2 LEU 69 122.757 0.464 3.482 511 2HD2 LEU 69 2HD2 LEU 69 121.202 1.291 3.392 512 3HD2 LEU 69 3HD2 LEU 69 122.624 1.999 2.625 513 H LYS 70 H LYS 70 119.331 -2.322 0.212 514 HA LYS 70 HA LYS 70 116.766 -2.897 1.245 515 1HB LYS 70 1HB LYS 70 118.183 -3.408 -1.331 516 2HB LYS 70 2HB LYS 70 116.692 -4.282 -1.021 517 1HG LYS 70 1HG LYS 70 115.422 -2.311 -0.929 518 2HG LYS 70 2HG LYS 70 116.861 -1.298 -0.770 519 1HD LYS 70 1HD LYS 70 116.186 -1.016 -2.997 520 2HD LYS 70 2HD LYS 70 117.513 -2.176 -3.082 521 1HE LYS 70 1HE LYS 70 114.904 -3.429 -2.719 522 2HE LYS 70 2HE LYS 70 115.023 -2.489 -4.206 523 1HZ LYS 70 1HZ LYS 70 117.178 -3.736 -4.586 524 2HZ LYS 70 2HZ LYS 70 115.749 -4.624 -4.762 525 3HZ LYS 70 3HZ LYS 70 116.678 -4.789 -3.359 526 H LYS 71 H LYS 71 119.672 -4.704 1.151 527 HA LYS 71 HA LYS 71 118.444 -7.297 1.430 528 1HB LYS 71 1HB LYS 71 121.294 -6.292 1.497 529 2HB LYS 71 2HB LYS 71 120.879 -7.978 1.809 530 1HG LYS 71 1HG LYS 71 119.704 -6.880 -0.632 531 2HG LYS 71 2HG LYS 71 121.469 -6.912 -0.624 532 1HD LYS 71 1HD LYS 71 119.783 -9.301 0.097 533 2HD LYS 71 2HD LYS 71 120.335 -8.973 -1.546 534 1HE LYS 71 1HE LYS 71 122.039 -10.317 -0.853 535 2HE LYS 71 2HE LYS 71 122.674 -8.760 -0.322 536 1HZ LYS 71 1HZ LYS 71 122.476 -10.879 1.264 537 2HZ LYS 71 2HZ LYS 71 120.979 -10.158 1.579 538 3HZ LYS 71 3HZ LYS 71 122.405 -9.288 1.835 539 H LYS 72 H LYS 72 119.857 -4.861 3.515 540 HA LYS 72 HA LYS 72 119.607 -6.607 5.831 541 1HB LYS 72 1HB LYS 72 120.851 -4.925 7.058 542 2HB LYS 72 2HB LYS 72 121.701 -5.319 5.571 543 1HG LYS 72 1HG LYS 72 121.875 -3.065 5.487 544 2HG LYS 72 2HG LYS 72 120.315 -3.241 4.676 545 1HD LYS 72 1HD LYS 72 119.487 -3.119 7.228 546 2HD LYS 72 2HD LYS 72 120.958 -2.152 7.348 547 1HE LYS 72 1HE LYS 72 119.253 -1.544 5.033 548 2HE LYS 72 2HE LYS 72 118.531 -1.188 6.602 549 1HZ LYS 72 1HZ LYS 72 119.960 0.487 6.972 550 2HZ LYS 72 2HZ LYS 72 120.139 0.485 5.291 551 3HZ LYS 72 3HZ LYS 72 121.273 -0.308 6.262 552 H ALA 73 H ALA 73 118.055 -4.082 4.182 553 HA ALA 73 HA ALA 73 116.526 -3.082 6.406 554 1HB ALA 73 1HB ALA 73 116.757 -2.509 3.508 555 2HB ALA 73 2HB ALA 73 116.778 -1.405 4.884 556 3HB ALA 73 3HB ALA 73 115.248 -2.068 4.306 557 H GLU 74 H GLU 74 116.418 -5.953 4.877 558 HA GLU 74 HA GLU 74 114.861 -7.614 4.816 559 1HB GLU 74 1HB GLU 74 112.922 -5.658 6.056 560 2HB GLU 74 2HB GLU 74 112.809 -7.409 6.057 561 1HG GLU 74 1HG GLU 74 115.038 -5.900 7.389 562 2HG GLU 74 2HG GLU 74 113.547 -6.363 8.209 563 H LEU 75 H LEU 75 114.999 -5.145 2.876 564 HA LEU 75 HA LEU 75 112.714 -6.043 1.313 565 1HB LEU 75 1HB LEU 75 112.852 -3.382 0.626 566 2HB LEU 75 2HB LEU 75 111.617 -4.142 1.621 567 HG LEU 75 HG LEU 75 113.624 -3.557 3.406 568 1HD1 LEU 75 1HD1 LEU 75 114.942 -2.173 2.107 569 2HD1 LEU 75 2HD1 LEU 75 113.854 -1.027 2.893 570 3HD1 LEU 75 3HD1 LEU 75 113.559 -1.522 1.223 571 1HD2 LEU 75 1HD2 LEU 75 110.979 -2.485 2.677 572 2HD2 LEU 75 2HD2 LEU 75 111.977 -1.458 3.707 573 3HD2 LEU 75 3HD2 LEU 75 111.571 -3.095 4.222 574 H PHE 76 H PHE 76 114.680 -7.236 0.434 575 HA PHE 76 HA PHE 76 115.742 -5.647 -1.808 576 1HB PHE 76 1HB PHE 76 117.759 -6.044 -0.833 577 2HB PHE 76 2HB PHE 76 117.166 -7.433 0.079 578 HD1 PHE 76 HD1 PHE 76 117.186 -9.661 -0.915 579 HD2 PHE 76 HD2 PHE 76 118.700 -6.288 -3.022 580 HE1 PHE 76 HE1 PHE 76 118.312 -11.164 -2.507 581 HE2 PHE 76 HE2 PHE 76 119.828 -7.784 -4.616 582 HZ PHE 76 HZ PHE 76 119.635 -10.225 -4.360 Start of MODEL 20 1 HT1 PRO 9 HT1 PRO 9 102.311 13.730 -5.665 2 HT2 PRO 9 HT2 PRO 9 103.287 12.406 -5.721 3 HA PRO 9 HA PRO 9 102.651 13.991 -7.665 4 1HB PRO 9 1HB PRO 9 105.488 14.573 -7.676 5 2HB PRO 9 2HB PRO 9 104.123 15.681 -7.865 6 1HG PRO 9 1HG PRO 9 105.721 15.638 -5.656 7 2HG PRO 9 2HG PRO 9 104.023 16.149 -5.628 8 1HD PRO 9 1HD PRO 9 105.221 13.507 -4.849 9 2HD PRO 9 2HD PRO 9 103.971 14.458 -4.024 10 H GLY 10 H GLY 10 105.369 12.135 -6.336 11 1HA GLY 10 1HA GLY 10 105.830 10.802 -8.875 12 2HA GLY 10 2HA GLY 10 106.725 10.550 -7.386 13 H LEU 11 H LEU 11 106.113 9.006 -5.975 14 HA LEU 11 HA LEU 11 103.942 7.239 -6.873 15 1HB LEU 11 1HB LEU 11 105.265 5.414 -5.809 16 2HB LEU 11 2HB LEU 11 105.980 6.116 -7.246 17 HG LEU 11 HG LEU 11 107.098 7.586 -5.176 18 1HD1 LEU 11 1HD1 LEU 11 106.056 5.615 -3.781 19 2HD1 LEU 11 2HD1 LEU 11 107.664 6.242 -3.420 20 3HD1 LEU 11 3HD1 LEU 11 107.485 4.756 -4.354 21 1HD2 LEU 11 1HD2 LEU 11 108.471 5.156 -6.204 22 2HD2 LEU 11 2HD2 LEU 11 109.076 6.802 -6.015 23 3HD2 LEU 11 3HD2 LEU 11 107.989 6.409 -7.347 24 H GLN 12 H GLN 12 103.023 5.867 -5.125 25 HA GLN 12 HA GLN 12 102.258 7.529 -2.914 26 1HB GLN 12 1HB GLN 12 101.082 5.262 -2.238 27 2HB GLN 12 2HB GLN 12 100.453 6.262 -3.538 28 1HG GLN 12 1HG GLN 12 102.425 4.184 -4.276 29 2HG GLN 12 2HG GLN 12 100.826 3.638 -3.773 30 1HE2 GLN 12 1HE2 GLN 12 99.113 3.917 -5.108 31 2HE2 GLN 12 2HE2 GLN 12 99.226 4.579 -6.699 32 H ILE 13 H ILE 13 102.762 7.331 -0.776 33 HA ILE 13 HA ILE 13 104.921 5.441 -0.123 34 HB ILE 13 HB ILE 13 104.410 8.145 1.120 35 1HG1 ILE 13 1HG1 ILE 13 106.196 7.222 -1.106 36 2HG1 ILE 13 2HG1 ILE 13 105.203 8.675 -1.004 37 1HG2 ILE 13 1HG2 ILE 13 105.518 6.278 2.489 38 2HG2 ILE 13 2HG2 ILE 13 106.333 7.840 2.402 39 3HG2 ILE 13 3HG2 ILE 13 106.895 6.495 1.410 40 1HD1 ILE 13 1HD1 ILE 13 107.965 8.204 -0.152 41 2HD1 ILE 13 2HD1 ILE 13 106.980 9.120 0.989 42 3HD1 ILE 13 3HD1 ILE 13 107.168 9.689 -0.669 43 H TYR 14 H TYR 14 104.528 3.992 1.407 44 HA TYR 14 HA TYR 14 102.353 4.492 3.330 45 1HB TYR 14 1HB TYR 14 103.029 1.792 2.153 46 2HB TYR 14 2HB TYR 14 101.644 2.207 3.158 47 HD1 TYR 14 HD1 TYR 14 103.124 2.549 -0.200 48 HD2 TYR 14 HD2 TYR 14 99.682 3.187 2.218 49 HE1 TYR 14 HE1 TYR 14 101.791 2.977 -2.219 50 HE2 TYR 14 HE2 TYR 14 98.339 3.619 0.205 51 HH TYR 14 HH TYR 14 99.127 2.748 -2.752 52 HA PRO 15 HA PRO 15 104.827 3.344 6.806 53 1HB PRO 15 1HB PRO 15 103.306 0.778 7.030 54 2HB PRO 15 2HB PRO 15 103.683 1.977 8.278 55 1HG PRO 15 1HG PRO 15 101.251 1.874 7.223 56 2HG PRO 15 2HG PRO 15 102.018 3.437 7.562 57 1HD PRO 15 1HD PRO 15 101.616 2.045 4.956 58 2HD PRO 15 2HD PRO 15 101.581 3.782 5.325 59 H TYR 16 H TYR 16 106.300 1.571 7.676 60 HA TYR 16 HA TYR 16 107.713 0.424 5.441 61 1HB TYR 16 1HB TYR 16 109.135 1.434 7.006 62 2HB TYR 16 2HB TYR 16 108.275 0.735 8.378 63 HD1 TYR 16 HD1 TYR 16 108.567 -1.645 8.919 64 HD2 TYR 16 HD2 TYR 16 110.915 0.265 5.942 65 HE1 TYR 16 HE1 TYR 16 110.189 -3.500 9.020 66 HE2 TYR 16 HE2 TYR 16 112.545 -1.576 6.020 67 HH TYR 16 HH TYR 16 112.839 -3.652 8.421 68 H GLU 17 H GLU 17 106.504 -0.871 8.546 69 HA GLU 17 HA GLU 17 106.919 -3.542 8.217 70 1HB GLU 17 1HB GLU 17 104.807 -1.955 9.582 71 2HB GLU 17 2HB GLU 17 104.507 -3.676 9.382 72 1HG GLU 17 1HG GLU 17 106.633 -4.162 10.509 73 2HG GLU 17 2HG GLU 17 106.885 -2.430 10.745 74 H MET 18 H MET 18 104.067 -1.768 7.008 75 HA MET 18 HA MET 18 102.903 -4.028 5.746 76 1HB MET 18 1HB MET 18 102.509 -1.070 5.252 77 2HB MET 18 2HB MET 18 101.514 -2.336 4.545 78 1HG MET 18 1HG MET 18 101.360 -2.970 7.172 79 2HG MET 18 2HG MET 18 101.510 -1.214 7.255 80 1HE MET 18 1HE MET 18 97.654 -1.943 7.746 81 2HE MET 18 2HE MET 18 99.123 -1.326 8.502 82 3HE MET 18 3HE MET 18 98.940 -3.057 8.212 83 H LEU 19 H LEU 19 105.292 -1.688 4.807 84 HA LEU 19 HA LEU 19 105.242 -2.435 2.012 85 1HB LEU 19 1HB LEU 19 106.812 -0.511 3.677 86 2HB LEU 19 2HB LEU 19 107.356 -0.919 2.059 87 HG LEU 19 HG LEU 19 104.684 0.298 2.760 88 1HD1 LEU 19 1HD1 LEU 19 106.976 1.566 1.283 89 2HD1 LEU 19 2HD1 LEU 19 106.726 1.756 3.018 90 3HD1 LEU 19 3HD1 LEU 19 105.505 2.333 1.882 91 1HD2 LEU 19 1HD2 LEU 19 105.783 -0.928 0.335 92 2HD2 LEU 19 2HD2 LEU 19 105.040 0.655 0.099 93 3HD2 LEU 19 3HD2 LEU 19 104.108 -0.661 0.816 94 H VAL 20 H VAL 20 106.542 -3.789 4.771 95 HA VAL 20 HA VAL 20 109.132 -4.502 4.175 96 HB VAL 20 HB VAL 20 107.053 -6.240 5.512 97 1HG1 VAL 20 1HG1 VAL 20 109.005 -7.223 6.659 98 2HG1 VAL 20 2HG1 VAL 20 110.059 -6.333 5.564 99 3HG1 VAL 20 3HG1 VAL 20 108.966 -7.568 4.930 100 1HG2 VAL 20 1HG2 VAL 20 107.593 -5.232 7.526 101 2HG2 VAL 20 2HG2 VAL 20 107.540 -3.877 6.398 102 3HG2 VAL 20 3HG2 VAL 20 109.090 -4.546 6.896 103 H VAL 21 H VAL 21 110.031 -6.544 3.360 104 HA VAL 21 HA VAL 21 108.552 -7.386 0.974 105 HB VAL 21 HB VAL 21 111.475 -7.721 1.631 106 1HG1 VAL 21 1HG1 VAL 21 111.141 -9.334 0.039 107 2HG1 VAL 21 2HG1 VAL 21 111.450 -7.936 -0.993 108 3HG1 VAL 21 3HG1 VAL 21 109.794 -8.474 -0.709 109 1HG2 VAL 21 1HG2 VAL 21 110.825 -5.376 1.428 110 2HG2 VAL 21 2HG2 VAL 21 110.122 -5.708 -0.151 111 3HG2 VAL 21 3HG2 VAL 21 111.858 -5.880 0.092 112 H THR 22 H THR 22 110.937 -9.025 3.082 113 HA THR 22 HA THR 22 109.423 -11.507 2.672 114 HB THR 22 HB THR 22 112.299 -11.054 3.459 115 HG1 THR 22 HG1 THR 22 112.737 -11.754 1.430 116 1HG2 THR 22 1HG2 THR 22 112.420 -13.129 4.204 117 2HG2 THR 22 2HG2 THR 22 111.902 -13.705 2.619 118 3HG2 THR 22 3HG2 THR 22 110.705 -13.379 3.873 119 H ASN 23 H ASN 23 111.471 -10.189 5.257 120 HA ASN 23 HA ASN 23 110.860 -11.751 7.325 121 1HB ASN 23 1HB ASN 23 111.078 -9.686 8.822 122 2HB ASN 23 2HB ASN 23 112.419 -10.065 7.743 123 1HD2 ASN 23 1HD2 ASN 23 112.456 -8.874 5.659 124 2HD2 ASN 23 2HD2 ASN 23 111.909 -7.239 5.656 125 H LYS 24 H LYS 24 108.557 -9.490 5.947 126 HA LYS 24 HA LYS 24 106.651 -10.306 8.048 127 1HB LYS 24 1HB LYS 24 107.188 -7.689 6.837 128 2HB LYS 24 2HB LYS 24 105.481 -8.105 6.907 129 1HG LYS 24 1HG LYS 24 105.687 -7.107 8.926 130 2HG LYS 24 2HG LYS 24 106.126 -8.751 9.393 131 1HD LYS 24 1HD LYS 24 108.252 -6.868 8.472 132 2HD LYS 24 2HD LYS 24 107.619 -6.725 10.112 133 1HE LYS 24 1HE LYS 24 108.064 -9.440 9.802 134 2HE LYS 24 2HE LYS 24 109.431 -8.690 8.978 135 1HZ LYS 24 1HZ LYS 24 108.703 -7.639 11.605 136 2HZ LYS 24 2HZ LYS 24 110.229 -7.817 10.897 137 3HZ LYS 24 3HZ LYS 24 109.442 -9.161 11.558 138 H GLY 25 H GLY 25 107.306 -11.675 5.514 139 1HA GLY 25 1HA GLY 25 105.260 -12.974 4.671 140 2HA GLY 25 2HA GLY 25 104.748 -11.401 4.079 141 H ARG 26 H ARG 26 105.134 -11.086 1.996 142 HA ARG 26 HA ARG 26 107.679 -11.821 0.858 143 1HB ARG 26 1HB ARG 26 106.725 -13.086 -0.998 144 2HB ARG 26 2HB ARG 26 106.429 -13.884 0.529 145 1HG ARG 26 1HG ARG 26 104.426 -12.238 -1.007 146 2HG ARG 26 2HG ARG 26 104.511 -13.996 -0.986 147 1HD ARG 26 1HD ARG 26 103.857 -12.160 1.309 148 2HD ARG 26 2HD ARG 26 102.802 -13.334 0.534 149 HE ARG 26 HE ARG 26 105.193 -14.398 1.790 150 1HH1 ARG 26 1HH1 ARG 26 101.778 -13.731 2.084 151 2HH1 ARG 26 2HH1 ARG 26 101.538 -14.884 3.352 152 1HH2 ARG 26 1HH2 ARG 26 104.876 -15.909 3.460 153 2HH2 ARG 26 2HH2 ARG 26 103.295 -16.118 4.135 154 H THR 27 H THR 27 104.388 -10.698 0.070 155 HA THR 27 HA THR 27 105.584 -8.387 -1.222 156 HB THR 27 HB THR 27 103.781 -10.415 -2.432 157 HG1 THR 27 HG1 THR 27 106.036 -10.001 -3.001 158 1HG2 THR 27 1HG2 THR 27 102.237 -8.743 -2.710 159 2HG2 THR 27 2HG2 THR 27 103.185 -8.646 -4.192 160 3HG2 THR 27 3HG2 THR 27 103.457 -7.485 -2.891 161 H LYS 28 H LYS 28 102.207 -9.416 -1.038 162 HA LYS 28 HA LYS 28 100.371 -8.312 -0.245 163 1HB LYS 28 1HB LYS 28 102.309 -8.431 2.040 164 2HB LYS 28 2HB LYS 28 100.647 -7.890 2.246 165 1HG LYS 28 1HG LYS 28 100.792 -10.201 2.847 166 2HG LYS 28 2HG LYS 28 99.868 -10.055 1.350 167 1HD LYS 28 1HD LYS 28 102.711 -10.363 0.841 168 2HD LYS 28 2HD LYS 28 102.059 -11.698 1.799 169 1HE LYS 28 1HE LYS 28 100.743 -10.718 -0.723 170 2HE LYS 28 2HE LYS 28 101.988 -11.966 -0.726 171 1HZ LYS 28 1HZ LYS 28 100.293 -13.365 -0.438 172 2HZ LYS 28 2HZ LYS 28 99.218 -12.143 0.019 173 3HZ LYS 28 3HZ LYS 28 100.253 -12.830 1.166 174 H LEU 29 H LEU 29 102.573 -6.523 -1.390 175 HA LEU 29 HA LEU 29 102.757 -4.156 0.040 176 1HB LEU 29 1HB LEU 29 103.148 -5.034 -2.732 177 2HB LEU 29 2HB LEU 29 102.905 -3.319 -2.519 178 HG LEU 29 HG LEU 29 105.214 -3.671 -2.550 179 1HD1 LEU 29 1HD1 LEU 29 104.404 -3.457 0.350 180 2HD1 LEU 29 2HD1 LEU 29 104.475 -2.124 -0.800 181 3HD1 LEU 29 3HD1 LEU 29 105.950 -2.966 -0.332 182 1HD2 LEU 29 1HD2 LEU 29 104.764 -6.178 -1.850 183 2HD2 LEU 29 2HD2 LEU 29 105.257 -5.554 -0.277 184 3HD2 LEU 29 3HD2 LEU 29 106.342 -5.417 -1.659 185 HA PRO 30 HA PRO 30 98.807 -2.172 -0.284 186 1HB PRO 30 1HB PRO 30 100.382 0.314 -0.672 187 2HB PRO 30 2HB PRO 30 99.170 -0.067 0.560 188 1HG PRO 30 1HG PRO 30 101.784 0.042 1.148 189 2HG PRO 30 2HG PRO 30 100.700 -1.126 1.927 190 1HD PRO 30 1HD PRO 30 102.710 -1.556 -0.238 191 2HD PRO 30 2HD PRO 30 102.239 -2.624 1.097 192 HA PRO 31 HA PRO 31 98.101 -1.102 -4.531 193 1HB PRO 31 1HB PRO 31 97.201 1.647 -4.134 194 2HB PRO 31 2HB PRO 31 96.260 0.217 -4.575 195 1HG PRO 31 1HG PRO 31 96.037 1.436 -2.163 196 2HG PRO 31 2HG PRO 31 95.786 -0.304 -2.389 197 1HD PRO 31 1HD PRO 31 98.184 1.144 -1.329 198 2HD PRO 31 2HD PRO 31 97.439 -0.366 -0.764 199 H GLY 32 H GLY 32 99.976 -0.973 -5.687 200 1HA GLY 32 1HA GLY 32 101.254 0.330 -7.204 201 2HA GLY 32 2HA GLY 32 101.013 1.726 -6.171 202 H VAL 33 H VAL 33 102.268 -1.510 -5.330 203 HA VAL 33 HA VAL 33 104.899 -0.319 -4.864 204 HB VAL 33 HB VAL 33 104.368 -2.188 -2.778 205 1HG1 VAL 33 1HG1 VAL 33 105.656 -0.786 -1.604 206 2HG1 VAL 33 2HG1 VAL 33 104.803 0.647 -2.175 207 3HG1 VAL 33 3HG1 VAL 33 106.007 -0.131 -3.199 208 1HG2 VAL 33 1HG2 VAL 33 102.249 -1.697 -2.254 209 2HG2 VAL 33 2HG2 VAL 33 102.237 -0.250 -3.261 210 3HG2 VAL 33 3HG2 VAL 33 102.917 -0.188 -1.639 211 H ASP 34 H ASP 34 106.460 -1.450 -5.676 212 HA ASP 34 HA ASP 34 106.176 -4.362 -5.908 213 1HB ASP 34 1HB ASP 34 105.695 -3.259 -8.103 214 2HB ASP 34 2HB ASP 34 107.325 -2.585 -8.071 215 H ARG 35 H ARG 35 108.110 -5.525 -5.772 216 HA ARG 35 HA ARG 35 110.015 -4.570 -4.007 217 1HB ARG 35 1HB ARG 35 109.626 -6.967 -5.608 218 2HB ARG 35 2HB ARG 35 111.327 -6.582 -5.394 219 1HG ARG 35 1HG ARG 35 110.873 -7.958 -3.596 220 2HG ARG 35 2HG ARG 35 110.732 -6.340 -2.899 221 1HD ARG 35 1HD ARG 35 108.785 -7.145 -2.101 222 2HD ARG 35 2HD ARG 35 108.190 -6.728 -3.706 223 HE ARG 35 HE ARG 35 108.768 -9.403 -2.685 224 1HH1 ARG 35 1HH1 ARG 35 107.758 -7.404 -5.370 225 2HH1 ARG 35 2HH1 ARG 35 107.124 -8.734 -6.275 226 1HH2 ARG 35 1HH2 ARG 35 107.931 -11.143 -3.881 227 2HH2 ARG 35 2HH2 ARG 35 107.219 -10.853 -5.433 228 H MET 36 H MET 36 109.830 -4.070 -7.413 229 HA MET 36 HA MET 36 112.485 -3.778 -8.126 230 1HB MET 36 1HB MET 36 111.602 -2.045 -9.779 231 2HB MET 36 2HB MET 36 110.915 -3.660 -9.862 232 1HG MET 36 1HG MET 36 108.881 -2.995 -9.096 233 2HG MET 36 2HG MET 36 109.541 -1.637 -8.183 234 1HE MET 36 1HE MET 36 111.164 -0.150 -9.580 235 2HE MET 36 2HE MET 36 110.101 1.101 -10.222 236 3HE MET 36 3HE MET 36 111.045 0.096 -11.322 237 H ARG 37 H ARG 37 110.406 -1.525 -6.392 238 HA ARG 37 HA ARG 37 112.759 -0.067 -5.520 239 1HB ARG 37 1HB ARG 37 111.430 2.129 -6.024 240 2HB ARG 37 2HB ARG 37 112.404 1.379 -7.276 241 1HG ARG 37 1HG ARG 37 110.468 1.852 -8.411 242 2HG ARG 37 2HG ARG 37 110.181 0.184 -7.914 243 1HD ARG 37 1HD ARG 37 108.689 0.807 -6.244 244 2HD ARG 37 2HD ARG 37 109.294 2.462 -6.188 245 HE ARG 37 HE ARG 37 107.876 3.010 -7.908 246 1HH1 ARG 37 1HH1 ARG 37 108.039 -0.464 -7.622 247 2HH1 ARG 37 2HH1 ARG 37 106.740 -0.742 -8.732 248 1HH2 ARG 37 1HH2 ARG 37 106.166 2.646 -9.367 249 2HH2 ARG 37 2HH2 ARG 37 105.676 1.024 -9.722 250 H LEU 38 H LEU 38 111.485 -1.629 -3.870 251 HA LEU 38 HA LEU 38 109.244 -0.435 -2.577 252 1HB LEU 38 1HB LEU 38 111.010 -2.773 -2.084 253 2HB LEU 38 2HB LEU 38 110.081 -2.149 -0.725 254 HG LEU 38 HG LEU 38 108.912 -3.041 -3.362 255 1HD1 LEU 38 1HD1 LEU 38 108.669 -4.391 -0.689 256 2HD1 LEU 38 2HD1 LEU 38 109.875 -4.847 -1.894 257 3HD1 LEU 38 3HD1 LEU 38 108.158 -4.991 -2.266 258 1HD2 LEU 38 1HD2 LEU 38 106.779 -2.855 -2.125 259 2HD2 LEU 38 2HD2 LEU 38 107.581 -1.314 -2.399 260 3HD2 LEU 38 3HD2 LEU 38 107.653 -2.075 -0.810 261 H GLU 39 H GLU 39 112.700 -0.284 -2.163 262 HA GLU 39 HA GLU 39 112.600 1.015 0.375 263 1HB GLU 39 1HB GLU 39 115.048 1.526 -0.191 264 2HB GLU 39 2HB GLU 39 114.589 -0.153 0.032 265 1HG GLU 39 1HG GLU 39 116.084 0.132 -1.856 266 2HG GLU 39 2HG GLU 39 114.515 -0.478 -2.366 267 H ARG 40 H ARG 40 111.410 2.075 -2.378 268 HA ARG 40 HA ARG 40 112.355 4.835 -1.991 269 1HB ARG 40 1HB ARG 40 112.491 3.329 -4.299 270 2HB ARG 40 2HB ARG 40 111.020 4.261 -4.532 271 1HG ARG 40 1HG ARG 40 113.130 5.944 -3.539 272 2HG ARG 40 2HG ARG 40 113.650 5.080 -4.986 273 1HD ARG 40 1HD ARG 40 111.008 5.989 -5.445 274 2HD ARG 40 2HD ARG 40 111.920 7.338 -4.768 275 HE ARG 40 HE ARG 40 113.350 6.009 -6.848 276 1HH1 ARG 40 1HH1 ARG 40 110.831 8.343 -6.226 277 2HH1 ARG 40 2HH1 ARG 40 111.052 9.168 -7.733 278 1HH2 ARG 40 1HH2 ARG 40 113.642 7.093 -8.830 279 2HH2 ARG 40 2HH2 ARG 40 112.647 8.459 -9.212 280 H HIS 41 H HIS 41 109.843 2.703 -1.602 281 HA HIS 41 HA HIS 41 107.704 4.629 -2.011 282 1HB HIS 41 1HB HIS 41 107.903 1.688 -1.572 283 2HB HIS 41 2HB HIS 41 106.427 2.495 -1.070 284 HD1 HIS 41 HD1 HIS 41 105.232 3.934 -3.075 285 HD2 HIS 41 HD2 HIS 41 107.959 1.006 -4.187 286 HE1 HIS 41 HE1 HIS 41 104.762 3.461 -5.500 287 HE2 HIS 41 HE2 HIS 41 106.348 1.608 -6.116 288 H LEU 42 H LEU 42 109.856 3.875 0.411 289 HA LEU 42 HA LEU 42 108.054 4.075 2.645 290 1HB LEU 42 1HB LEU 42 111.066 4.088 2.467 291 2HB LEU 42 2HB LEU 42 110.149 4.039 3.966 292 HG LEU 42 HG LEU 42 109.312 1.920 2.185 293 1HD1 LEU 42 1HD1 LEU 42 111.949 2.445 1.796 294 2HD1 LEU 42 2HD1 LEU 42 111.197 0.858 1.625 295 3HD1 LEU 42 3HD1 LEU 42 112.011 1.290 3.133 296 1HD2 LEU 42 1HD2 LEU 42 108.869 2.040 4.571 297 2HD2 LEU 42 2HD2 LEU 42 110.599 1.935 4.899 298 3HD2 LEU 42 3HD2 LEU 42 109.756 0.575 4.154 299 H SER 43 H SER 43 107.830 5.788 4.022 300 HA SER 43 HA SER 43 108.152 8.385 2.923 301 1HB SER 43 1HB SER 43 106.295 8.091 4.366 302 2HB SER 43 2HB SER 43 107.296 7.381 5.637 303 HG SER 43 HG SER 43 107.086 10.075 4.835 304 H ALA 44 H ALA 44 109.281 10.174 4.018 305 HA ALA 44 HA ALA 44 111.998 9.824 4.163 306 1HB ALA 44 1HB ALA 44 110.183 11.912 5.294 307 2HB ALA 44 2HB ALA 44 111.350 12.034 3.977 308 3HB ALA 44 3HB ALA 44 111.910 11.961 5.647 309 H GLU 45 H GLU 45 109.631 9.281 6.648 310 HA GLU 45 HA GLU 45 111.548 9.056 8.785 311 1HB GLU 45 1HB GLU 45 109.387 7.782 9.783 312 2HB GLU 45 2HB GLU 45 109.581 9.526 9.811 313 1HG GLU 45 1HG GLU 45 108.069 9.855 8.089 314 2HG GLU 45 2HG GLU 45 108.220 8.198 7.507 315 H ASP 46 H ASP 46 109.416 6.747 7.134 316 HA ASP 46 HA ASP 46 110.440 4.421 8.232 317 1HB ASP 46 1HB ASP 46 109.208 4.911 5.517 318 2HB ASP 46 2HB ASP 46 109.559 3.303 6.152 319 H PHE 47 H PHE 47 111.511 6.189 5.345 320 HA PHE 47 HA PHE 47 113.461 4.286 4.590 321 1HB PHE 47 1HB PHE 47 112.378 6.174 3.197 322 2HB PHE 47 2HB PHE 47 113.620 7.207 3.912 323 HD1 PHE 47 HD1 PHE 47 113.579 3.738 2.598 324 HD2 PHE 47 HD2 PHE 47 115.303 7.618 2.428 325 HE1 PHE 47 HE1 PHE 47 115.203 2.940 0.912 326 HE2 PHE 47 HE2 PHE 47 116.926 6.838 0.746 327 HZ PHE 47 HZ PHE 47 116.874 4.499 -0.010 328 H SER 48 H SER 48 113.880 7.551 5.961 329 HA SER 48 HA SER 48 116.613 7.318 6.461 330 1HB SER 48 1HB SER 48 116.417 9.317 7.737 331 2HB SER 48 2HB SER 48 115.191 9.428 6.474 332 HG SER 48 HG SER 48 114.833 8.792 9.208 333 H ARG 49 H ARG 49 113.985 5.852 8.147 334 HA ARG 49 HA ARG 49 115.552 5.551 10.587 335 1HB ARG 49 1HB ARG 49 113.612 4.766 11.649 336 2HB ARG 49 2HB ARG 49 113.052 6.044 10.583 337 1HG ARG 49 1HG ARG 49 112.258 4.418 8.989 338 2HG ARG 49 2HG ARG 49 112.911 3.102 9.964 339 1HD ARG 49 1HD ARG 49 111.407 4.210 11.829 340 2HD ARG 49 2HD ARG 49 110.523 4.817 10.426 341 HE ARG 49 HE ARG 49 110.852 2.126 9.979 342 1HH1 ARG 49 1HH1 ARG 49 109.386 4.096 12.460 343 2HH1 ARG 49 2HH1 ARG 49 108.190 2.912 12.868 344 1HH2 ARG 49 1HH2 ARG 49 109.278 0.568 10.515 345 2HH2 ARG 49 2HH2 ARG 49 108.128 0.910 11.764 346 H VAL 50 H VAL 50 114.668 3.744 7.760 347 HA VAL 50 HA VAL 50 115.673 1.253 8.936 348 HB VAL 50 HB VAL 50 114.532 1.636 6.165 349 1HG1 VAL 50 1HG1 VAL 50 114.654 -0.604 5.892 350 2HG1 VAL 50 2HG1 VAL 50 114.391 -0.941 7.602 351 3HG1 VAL 50 3HG1 VAL 50 115.981 -0.430 7.041 352 1HG2 VAL 50 1HG2 VAL 50 112.417 1.270 6.886 353 2HG2 VAL 50 2HG2 VAL 50 113.042 2.096 8.315 354 3HG2 VAL 50 3HG2 VAL 50 112.933 0.336 8.289 355 H PHE 51 H PHE 51 116.464 3.710 6.590 356 HA PHE 51 HA PHE 51 118.889 2.217 5.847 357 1HB PHE 51 1HB PHE 51 117.359 4.352 4.363 358 2HB PHE 51 2HB PHE 51 118.925 3.729 3.849 359 HD1 PHE 51 HD1 PHE 51 119.155 1.464 3.044 360 HD2 PHE 51 HD2 PHE 51 115.359 3.061 4.086 361 HE1 PHE 51 HE1 PHE 51 118.055 -0.359 1.806 362 HE2 PHE 51 HE2 PHE 51 114.248 1.243 2.851 363 HZ PHE 51 HZ PHE 51 115.605 -0.466 1.706 364 H ALA 52 H ALA 52 117.691 5.232 7.139 365 HA ALA 52 HA ALA 52 118.769 6.907 8.271 366 1HB ALA 52 1HB ALA 52 120.767 4.803 8.232 367 2HB ALA 52 2HB ALA 52 120.358 5.950 9.506 368 3HB ALA 52 3HB ALA 52 121.481 6.413 8.228 369 H MET 53 H MET 53 118.962 6.246 5.131 370 HA MET 53 HA MET 53 120.692 8.531 4.459 371 1HB MET 53 1HB MET 53 121.030 7.541 2.337 372 2HB MET 53 2HB MET 53 121.256 6.283 3.547 373 1HG MET 53 1HG MET 53 118.707 5.828 3.064 374 2HG MET 53 2HG MET 53 119.094 6.619 1.534 375 1HE MET 53 1HE MET 53 122.133 5.015 2.981 376 2HE MET 53 2HE MET 53 122.210 5.676 1.341 377 3HE MET 53 3HE MET 53 122.486 3.949 1.616 378 H SER 54 H SER 54 119.995 9.334 2.182 379 HA SER 54 HA SER 54 117.285 10.359 2.496 380 1HB SER 54 1HB SER 54 119.703 11.169 0.890 381 2HB SER 54 2HB SER 54 118.105 11.840 0.532 382 HG SER 54 HG SER 54 118.343 13.116 2.177 383 HA PRO 55 HA PRO 55 115.534 7.692 -0.609 384 1HB PRO 55 1HB PRO 55 114.224 10.195 -1.570 385 2HB PRO 55 2HB PRO 55 113.502 8.629 -1.184 386 1HG PRO 55 1HG PRO 55 113.255 10.707 0.478 387 2HG PRO 55 2HG PRO 55 113.465 9.054 1.091 388 1HD PRO 55 1HD PRO 55 115.418 11.301 0.987 389 2HD PRO 55 2HD PRO 55 115.265 9.987 2.174 390 H GLU 56 H GLU 56 117.098 10.725 -1.267 391 HA GLU 56 HA GLU 56 117.471 10.180 -4.083 392 1HB GLU 56 1HB GLU 56 117.190 12.462 -3.694 393 2HB GLU 56 2HB GLU 56 118.162 12.433 -2.226 394 1HG GLU 56 1HG GLU 56 120.095 12.741 -3.335 395 2HG GLU 56 2HG GLU 56 119.580 11.784 -4.727 396 H GLU 57 H GLU 57 119.158 9.684 -1.080 397 HA GLU 57 HA GLU 57 121.779 9.510 -2.088 398 1HB GLU 57 1HB GLU 57 120.397 8.814 0.435 399 2HB GLU 57 2HB GLU 57 121.770 7.789 0.051 400 1HG GLU 57 1HG GLU 57 122.713 10.330 -0.444 401 2HG GLU 57 2HG GLU 57 121.698 10.525 0.984 402 H PHE 58 H PHE 58 119.249 7.069 -1.534 403 HA PHE 58 HA PHE 58 120.569 4.750 -2.242 404 1HB PHE 58 1HB PHE 58 117.949 5.447 -1.758 405 2HB PHE 58 2HB PHE 58 117.895 4.959 -3.452 406 HD1 PHE 58 HD1 PHE 58 118.763 3.867 -0.063 407 HD2 PHE 58 HD2 PHE 58 118.053 2.688 -4.072 408 HE1 PHE 58 HE1 PHE 58 118.738 1.526 0.657 409 HE2 PHE 58 HE2 PHE 58 118.006 0.324 -3.370 410 HZ PHE 58 HZ PHE 58 118.348 -0.264 -0.997 411 H GLY 59 H GLY 59 118.577 6.612 -4.551 412 1HA GLY 59 1HA GLY 59 119.318 5.331 -6.865 413 2HA GLY 59 2HA GLY 59 118.879 7.030 -6.796 414 H LYS 60 H LYS 60 121.207 7.578 -4.996 415 HA LYS 60 HA LYS 60 123.171 7.899 -7.122 416 1HB LYS 60 1HB LYS 60 122.953 9.049 -4.340 417 2HB LYS 60 2HB LYS 60 124.343 9.325 -5.387 418 1HG LYS 60 1HG LYS 60 121.571 9.962 -6.320 419 2HG LYS 60 2HG LYS 60 122.478 11.092 -5.307 420 1HD LYS 60 1HD LYS 60 123.548 9.941 -7.878 421 2HD LYS 60 2HD LYS 60 122.667 11.467 -7.791 422 1HE LYS 60 1HE LYS 60 124.493 11.871 -5.856 423 2HE LYS 60 2HE LYS 60 125.408 10.797 -6.916 424 1HZ LYS 60 1HZ LYS 60 124.134 13.367 -7.687 425 2HZ LYS 60 2HZ LYS 60 124.913 12.319 -8.761 426 3HZ LYS 60 3HZ LYS 60 125.793 13.074 -7.530 427 H LEU 61 H LEU 61 122.545 5.644 -4.749 428 HA LEU 61 HA LEU 61 125.200 5.083 -3.906 429 1HB LEU 61 1HB LEU 61 122.636 3.484 -3.723 430 2HB LEU 61 2HB LEU 61 124.121 3.086 -2.888 431 HG LEU 61 HG LEU 61 122.326 5.432 -2.393 432 1HD1 LEU 61 1HD1 LEU 61 123.288 3.652 -0.254 433 2HD1 LEU 61 2HD1 LEU 61 122.150 2.959 -1.408 434 3HD1 LEU 61 3HD1 LEU 61 121.707 4.399 -0.492 435 1HD2 LEU 61 1HD2 LEU 61 125.192 5.069 -1.792 436 2HD2 LEU 61 2HD2 LEU 61 124.181 5.674 -0.480 437 3HD2 LEU 61 3HD2 LEU 61 124.256 6.548 -2.009 438 H ALA 62 H ALA 62 124.778 2.166 -4.227 439 HA ALA 62 HA ALA 62 125.324 1.889 -7.102 440 1HB ALA 62 1HB ALA 62 126.784 0.342 -4.982 441 2HB ALA 62 2HB ALA 62 127.390 1.852 -5.663 442 3HB ALA 62 3HB ALA 62 127.154 0.445 -6.702 443 H LEU 63 H LEU 63 125.410 -0.589 -7.654 444 HA LEU 63 HA LEU 63 122.800 -1.617 -7.112 445 1HB LEU 63 1HB LEU 63 124.177 -1.861 -9.245 446 2HB LEU 63 2HB LEU 63 125.058 -3.123 -8.402 447 HG LEU 63 HG LEU 63 122.208 -3.570 -8.208 448 1HD1 LEU 63 1HD1 LEU 63 121.730 -4.035 -10.524 449 2HD1 LEU 63 2HD1 LEU 63 123.338 -3.490 -11.000 450 3HD1 LEU 63 3HD1 LEU 63 122.175 -2.338 -10.342 451 1HD2 LEU 63 1HD2 LEU 63 123.984 -5.353 -9.761 452 2HD2 LEU 63 2HD2 LEU 63 122.831 -5.729 -8.481 453 3HD2 LEU 63 3HD2 LEU 63 124.415 -5.068 -8.074 454 H TRP 64 H TRP 64 125.964 -2.161 -5.786 455 HA TRP 64 HA TRP 64 125.212 -4.604 -4.451 456 1HB TRP 64 1HB TRP 64 127.521 -4.306 -3.455 457 2HB TRP 64 2HB TRP 64 127.478 -4.449 -5.218 458 HD1 TRP 64 HD1 TRP 64 128.378 -2.411 -6.587 459 HE1 TRP 64 HE1 TRP 64 129.397 -0.144 -5.943 460 HE3 TRP 64 HE3 TRP 64 127.215 -2.469 -1.734 461 HZ2 TRP 64 HZ2 TRP 64 129.668 1.419 -3.554 462 HZ3 TRP 64 HZ3 TRP 64 127.884 -0.551 -0.298 463 HH2 TRP 64 HH2 TRP 64 129.068 1.346 -1.204 464 H LYS 65 H LYS 65 125.562 -1.208 -3.913 465 HA LYS 65 HA LYS 65 125.310 -1.262 -1.069 466 1HB LYS 65 1HB LYS 65 126.100 0.657 -2.734 467 2HB LYS 65 2HB LYS 65 124.399 1.107 -2.640 468 1HG LYS 65 1HG LYS 65 124.521 1.553 -0.352 469 2HG LYS 65 2HG LYS 65 126.037 0.664 -0.167 470 1HD LYS 65 1HD LYS 65 127.258 2.358 -1.315 471 2HD LYS 65 2HD LYS 65 125.773 3.172 -1.817 472 1HE LYS 65 1HE LYS 65 125.599 4.279 0.119 473 2HE LYS 65 2HE LYS 65 125.975 2.837 1.072 474 1HZ LYS 65 1HZ LYS 65 127.825 4.014 1.528 475 2HZ LYS 65 2HZ LYS 65 127.738 4.945 0.118 476 3HZ LYS 65 3HZ LYS 65 128.364 3.375 0.057 477 H ARG 66 H ARG 66 123.019 -0.200 -3.600 478 HA ARG 66 HA ARG 66 120.734 0.066 -2.108 479 1HB ARG 66 1HB ARG 66 121.002 -1.102 -4.884 480 2HB ARG 66 2HB ARG 66 119.484 -0.579 -4.171 481 1HG ARG 66 1HG ARG 66 120.345 1.695 -4.004 482 2HG ARG 66 2HG ARG 66 121.866 1.163 -4.721 483 1HD ARG 66 1HD ARG 66 119.360 0.563 -6.195 484 2HD ARG 66 2HD ARG 66 119.914 2.243 -6.171 485 HE ARG 66 HE ARG 66 122.135 0.889 -6.882 486 1HH1 ARG 66 1HH1 ARG 66 118.862 0.856 -8.093 487 2HH1 ARG 66 2HH1 ARG 66 119.331 0.453 -9.710 488 1HH2 ARG 66 1HH2 ARG 66 122.754 0.359 -9.009 489 2HH2 ARG 66 2HH2 ARG 66 121.540 0.171 -10.230 490 H ASN 67 H ASN 67 122.075 -2.855 -3.531 491 HA ASN 67 HA ASN 67 120.050 -4.647 -2.774 492 1HB ASN 67 1HB ASN 67 122.867 -4.853 -3.632 493 2HB ASN 67 2HB ASN 67 122.282 -6.213 -2.672 494 1HD2 ASN 67 1HD2 ASN 67 121.437 -4.204 -5.462 495 2HD2 ASN 67 2HD2 ASN 67 120.684 -5.471 -6.365 496 H GLU 68 H GLU 68 123.235 -4.390 -1.204 497 HA GLU 68 HA GLU 68 122.789 -5.800 1.063 498 1HB GLU 68 1HB GLU 68 124.440 -3.323 0.624 499 2HB GLU 68 2HB GLU 68 124.436 -4.175 2.163 500 1HG GLU 68 1HG GLU 68 125.305 -6.156 1.141 501 2HG GLU 68 2HG GLU 68 125.140 -5.452 -0.467 502 H LEU 69 H LEU 69 121.972 -2.372 0.551 503 HA LEU 69 HA LEU 69 121.029 -1.890 3.161 504 1HB LEU 69 1HB LEU 69 119.971 -0.600 0.657 505 2HB LEU 69 2HB LEU 69 119.959 0.045 2.286 506 HG LEU 69 HG LEU 69 122.560 -0.583 1.056 507 1HD1 LEU 69 1HD1 LEU 69 122.583 1.112 -0.419 508 2HD1 LEU 69 2HD1 LEU 69 121.546 2.129 0.584 509 3HD1 LEU 69 3HD1 LEU 69 120.839 0.857 -0.412 510 1HD2 LEU 69 1HD2 LEU 69 123.402 0.796 2.641 511 2HD2 LEU 69 2HD2 LEU 69 121.895 0.382 3.459 512 3HD2 LEU 69 3HD2 LEU 69 122.025 1.895 2.563 513 H LYS 70 H LYS 70 119.161 -2.400 0.195 514 HA LYS 70 HA LYS 70 116.647 -2.833 1.326 515 1HB LYS 70 1HB LYS 70 118.011 -3.648 -1.186 516 2HB LYS 70 2HB LYS 70 116.558 -4.538 -0.755 517 1HG LYS 70 1HG LYS 70 115.244 -2.545 -0.773 518 2HG LYS 70 2HG LYS 70 116.687 -1.540 -0.956 519 1HD LYS 70 1HD LYS 70 115.942 -1.624 -3.129 520 2HD LYS 70 2HD LYS 70 117.048 -2.999 -3.106 521 1HE LYS 70 1HE LYS 70 115.043 -3.708 -4.183 522 2HE LYS 70 2HE LYS 70 115.087 -4.462 -2.590 523 1HZ LYS 70 1HZ LYS 70 113.566 -1.996 -3.241 524 2HZ LYS 70 2HZ LYS 70 113.534 -2.845 -1.777 525 3HZ LYS 70 3HZ LYS 70 112.894 -3.548 -3.176 526 H LYS 71 H LYS 71 119.464 -4.819 1.211 527 HA LYS 71 HA LYS 71 118.156 -7.259 1.972 528 1HB LYS 71 1HB LYS 71 120.995 -6.391 1.472 529 2HB LYS 71 2HB LYS 71 120.648 -7.963 2.206 530 1HG LYS 71 1HG LYS 71 119.401 -8.648 0.286 531 2HG LYS 71 2HG LYS 71 119.491 -7.026 -0.407 532 1HD LYS 71 1HD LYS 71 121.586 -7.343 -1.185 533 2HD LYS 71 2HD LYS 71 122.087 -8.247 0.245 534 1HE LYS 71 1HE LYS 71 120.333 -9.981 -0.899 535 2HE LYS 71 2HE LYS 71 121.023 -9.200 -2.322 536 1HZ LYS 71 1HZ LYS 71 123.224 -9.692 -0.915 537 2HZ LYS 71 2HZ LYS 71 122.588 -10.773 -2.049 538 3HZ LYS 71 3HZ LYS 71 122.266 -10.990 -0.403 539 H LYS 72 H LYS 72 119.868 -4.662 3.593 540 HA LYS 72 HA LYS 72 119.846 -6.140 6.102 541 1HB LYS 72 1HB LYS 72 121.347 -4.526 6.966 542 2HB LYS 72 2HB LYS 72 121.889 -4.857 5.327 543 1HG LYS 72 1HG LYS 72 122.021 -2.596 5.299 544 2HG LYS 72 2HG LYS 72 120.338 -2.778 4.790 545 1HD LYS 72 1HD LYS 72 120.186 -2.792 7.549 546 2HD LYS 72 2HD LYS 72 121.439 -1.597 7.211 547 1HE LYS 72 1HE LYS 72 118.872 -1.546 5.681 548 2HE LYS 72 2HE LYS 72 118.937 -0.875 7.310 549 1HZ LYS 72 1HZ LYS 72 121.071 -0.029 5.547 550 2HZ LYS 72 2HZ LYS 72 120.135 0.876 6.627 551 3HZ LYS 72 3HZ LYS 72 119.528 0.498 5.094 552 H ALA 73 H ALA 73 118.203 -3.645 4.427 553 HA ALA 73 HA ALA 73 116.970 -2.442 6.724 554 1HB ALA 73 1HB ALA 73 117.220 -1.882 3.927 555 2HB ALA 73 2HB ALA 73 116.742 -0.807 5.238 556 3HB ALA 73 3HB ALA 73 115.527 -1.777 4.406 557 H GLU 74 H GLU 74 116.560 -5.377 5.345 558 HA GLU 74 HA GLU 74 115.002 -6.997 5.607 559 1HB GLU 74 1HB GLU 74 114.110 -4.959 7.476 560 2HB GLU 74 2HB GLU 74 112.761 -5.865 6.807 561 1HG GLU 74 1HG GLU 74 113.726 -7.938 7.550 562 2HG GLU 74 2HG GLU 74 115.184 -7.106 8.087 563 H LEU 75 H LEU 75 115.086 -5.122 3.352 564 HA LEU 75 HA LEU 75 112.611 -5.965 2.172 565 1HB LEU 75 1HB LEU 75 112.660 -3.389 1.210 566 2HB LEU 75 2HB LEU 75 111.506 -4.065 2.348 567 HG LEU 75 HG LEU 75 113.508 -3.282 4.003 568 1HD1 LEU 75 1HD1 LEU 75 114.884 -2.154 2.486 569 2HD1 LEU 75 2HD1 LEU 75 113.912 -0.876 3.221 570 3HD1 LEU 75 3HD1 LEU 75 113.509 -1.477 1.608 571 1HD2 LEU 75 1HD2 LEU 75 112.010 -1.185 4.224 572 2HD2 LEU 75 2HD2 LEU 75 111.321 -2.776 4.551 573 3HD2 LEU 75 3HD2 LEU 75 111.013 -1.982 3.008 574 H PHE 76 H PHE 76 114.373 -7.259 1.243 575 HA PHE 76 HA PHE 76 115.334 -5.936 -1.212 576 1HB PHE 76 1HB PHE 76 117.396 -6.281 -0.295 577 2HB PHE 76 2HB PHE 76 116.838 -7.598 0.738 578 HD1 PHE 76 HD1 PHE 76 116.929 -9.874 -0.013 579 HD2 PHE 76 HD2 PHE 76 118.058 -6.691 -2.602 580 HE1 PHE 76 HE1 PHE 76 117.950 -11.496 -1.556 581 HE2 PHE 76 HE2 PHE 76 119.080 -8.308 -4.150 582 HZ PHE 76 HZ PHE 76 119.026 -10.714 -3.628 Start of MODEL 21 1 HT1 PRO 9 HT1 PRO 9 105.108 11.740 -12.173 2 HT2 PRO 9 HT2 PRO 9 105.864 10.417 -11.554 3 HA PRO 9 HA PRO 9 103.926 11.785 -10.505 4 1HB PRO 9 1HB PRO 9 102.496 9.275 -10.773 5 2HB PRO 9 2HB PRO 9 101.923 10.923 -11.061 6 1HG PRO 9 1HG PRO 9 102.340 9.123 -13.059 7 2HG PRO 9 2HG PRO 9 102.492 10.875 -13.277 8 1HD PRO 9 1HD PRO 9 104.645 8.825 -12.853 9 2HD PRO 9 2HD PRO 9 104.602 10.187 -13.989 10 H GLY 10 H GLY 10 104.206 11.443 -8.377 11 1HA GLY 10 1HA GLY 10 106.035 9.466 -7.468 12 2HA GLY 10 2HA GLY 10 105.093 10.544 -6.452 13 H LEU 11 H LEU 11 105.400 8.252 -5.368 14 HA LEU 11 HA LEU 11 102.959 6.721 -5.952 15 1HB LEU 11 1HB LEU 11 104.384 4.939 -4.562 16 2HB LEU 11 2HB LEU 11 104.430 5.054 -6.310 17 HG LEU 11 HG LEU 11 106.658 4.780 -5.252 18 1HD1 LEU 11 1HD1 LEU 11 105.965 6.294 -7.388 19 2HD1 LEU 11 2HD1 LEU 11 107.623 5.924 -6.912 20 3HD1 LEU 11 3HD1 LEU 11 106.887 7.452 -6.428 21 1HD2 LEU 11 1HD2 LEU 11 105.740 6.696 -3.463 22 2HD2 LEU 11 2HD2 LEU 11 106.963 7.531 -4.421 23 3HD2 LEU 11 3HD2 LEU 11 107.374 6.042 -3.571 24 H GLN 12 H GLN 12 102.071 5.562 -4.049 25 HA GLN 12 HA GLN 12 101.730 7.419 -1.889 26 1HB GLN 12 1HB GLN 12 100.447 5.147 -1.044 27 2HB GLN 12 2HB GLN 12 99.717 6.430 -1.999 28 1HG GLN 12 1HG GLN 12 101.105 4.169 -3.363 29 2HG GLN 12 2HG GLN 12 99.482 3.946 -2.716 30 1HE2 GLN 12 1HE2 GLN 12 100.519 3.989 -5.490 31 2HE2 GLN 12 2HE2 GLN 12 99.568 5.174 -6.311 32 H ILE 13 H ILE 13 102.695 7.473 0.008 33 HA ILE 13 HA ILE 13 104.731 5.478 0.614 34 HB ILE 13 HB ILE 13 104.148 8.007 2.143 35 1HG1 ILE 13 1HG1 ILE 13 104.608 8.295 -0.382 36 2HG1 ILE 13 2HG1 ILE 13 105.583 9.228 0.750 37 1HG2 ILE 13 1HG2 ILE 13 105.551 6.401 3.304 38 2HG2 ILE 13 2HG2 ILE 13 106.495 7.810 2.818 39 3HG2 ILE 13 3HG2 ILE 13 106.625 6.306 1.907 40 1HD1 ILE 13 1HD1 ILE 13 106.413 6.696 -0.646 41 2HD1 ILE 13 2HD1 ILE 13 107.388 7.586 0.524 42 3HD1 ILE 13 3HD1 ILE 13 106.959 8.332 -1.017 43 H TYR 14 H TYR 14 104.633 4.060 2.283 44 HA TYR 14 HA TYR 14 102.489 4.353 4.272 45 1HB TYR 14 1HB TYR 14 103.070 1.574 3.485 46 2HB TYR 14 2HB TYR 14 101.528 2.352 3.816 47 HD1 TYR 14 HD1 TYR 14 104.027 1.619 1.246 48 HD2 TYR 14 HD2 TYR 14 100.194 3.283 2.030 49 HE1 TYR 14 HE1 TYR 14 103.532 1.581 -1.157 50 HE2 TYR 14 HE2 TYR 14 99.686 3.252 -0.377 51 HH TYR 14 HH TYR 14 100.367 2.211 -2.387 52 HA PRO 15 HA PRO 15 105.283 3.161 7.503 53 1HB PRO 15 1HB PRO 15 104.353 0.590 8.211 54 2HB PRO 15 2HB PRO 15 103.880 2.125 8.950 55 1HG PRO 15 1HG PRO 15 102.495 0.516 6.867 56 2HG PRO 15 2HG PRO 15 101.810 1.531 8.149 57 1HD PRO 15 1HD PRO 15 101.827 2.339 5.603 58 2HD PRO 15 2HD PRO 15 102.108 3.488 6.929 59 H TYR 16 H TYR 16 106.895 1.405 8.153 60 HA TYR 16 HA TYR 16 108.130 0.428 5.735 61 1HB TYR 16 1HB TYR 16 109.716 1.369 7.135 62 2HB TYR 16 2HB TYR 16 108.968 0.717 8.593 63 HD1 TYR 16 HD1 TYR 16 111.241 0.022 5.809 64 HD2 TYR 16 HD2 TYR 16 109.428 -1.531 9.322 65 HE1 TYR 16 HE1 TYR 16 112.856 -1.831 5.796 66 HE2 TYR 16 HE2 TYR 16 111.039 -3.396 9.336 67 HH TYR 16 HH TYR 16 112.528 -4.549 7.951 68 H GLU 17 H GLU 17 107.452 -1.129 8.889 69 HA GLU 17 HA GLU 17 107.918 -3.735 8.298 70 1HB GLU 17 1HB GLU 17 105.998 -2.368 10.099 71 2HB GLU 17 2HB GLU 17 105.694 -4.072 9.789 72 1HG GLU 17 1HG GLU 17 108.120 -4.467 10.425 73 2HG GLU 17 2HG GLU 17 108.113 -2.809 11.034 74 H MET 18 H MET 18 105.070 -1.892 7.319 75 HA MET 18 HA MET 18 103.721 -4.177 6.215 76 1HB MET 18 1HB MET 18 103.267 -1.206 6.102 77 2HB MET 18 2HB MET 18 102.332 -2.299 5.091 78 1HG MET 18 1HG MET 18 102.324 -3.273 7.773 79 2HG MET 18 2HG MET 18 101.869 -1.566 7.769 80 1HE MET 18 1HE MET 18 100.850 -4.764 7.999 81 2HE MET 18 2HE MET 18 100.478 -5.266 6.351 82 3HE MET 18 3HE MET 18 99.173 -4.848 7.461 83 H LEU 19 H LEU 19 105.753 -1.579 5.017 84 HA LEU 19 HA LEU 19 105.488 -2.268 2.263 85 1HB LEU 19 1HB LEU 19 106.952 -0.318 3.904 86 2HB LEU 19 2HB LEU 19 107.726 -0.748 2.385 87 HG LEU 19 HG LEU 19 104.963 0.410 2.736 88 1HD1 LEU 19 1HD1 LEU 19 107.055 1.863 2.995 89 2HD1 LEU 19 2HD1 LEU 19 105.810 2.395 1.864 90 3HD1 LEU 19 3HD1 LEU 19 107.275 1.616 1.262 91 1HD2 LEU 19 1HD2 LEU 19 106.370 -0.792 0.402 92 2HD2 LEU 19 2HD2 LEU 19 105.260 0.556 0.151 93 3HD2 LEU 19 3HD2 LEU 19 104.685 -0.934 0.900 94 H VAL 20 H VAL 20 107.194 -3.711 4.780 95 HA VAL 20 HA VAL 20 109.668 -4.343 3.700 96 HB VAL 20 HB VAL 20 107.967 -6.198 5.371 97 1HG1 VAL 20 1HG1 VAL 20 110.810 -6.148 4.565 98 2HG1 VAL 20 2HG1 VAL 20 109.757 -7.518 4.927 99 3HG1 VAL 20 3HG1 VAL 20 110.456 -6.567 6.242 100 1HG2 VAL 20 1HG2 VAL 20 108.111 -3.964 6.353 101 2HG2 VAL 20 2HG2 VAL 20 109.865 -4.034 6.255 102 3HG2 VAL 20 3HG2 VAL 20 108.994 -5.151 7.305 103 H VAL 21 H VAL 21 110.419 -6.346 2.654 104 HA VAL 21 HA VAL 21 108.686 -6.995 0.444 105 HB VAL 21 HB VAL 21 111.426 -8.092 1.058 106 1HG1 VAL 21 1HG1 VAL 21 110.680 -9.462 -0.606 107 2HG1 VAL 21 2HG1 VAL 21 111.330 -8.139 -1.578 108 3HG1 VAL 21 3HG1 VAL 21 109.595 -8.242 -1.277 109 1HG2 VAL 21 1HG2 VAL 21 112.406 -6.311 -0.019 110 2HG2 VAL 21 2HG2 VAL 21 111.102 -5.518 0.859 111 3HG2 VAL 21 3HG2 VAL 21 110.931 -5.865 -0.860 112 H THR 22 H THR 22 110.633 -9.173 2.503 113 HA THR 22 HA THR 22 108.560 -11.216 2.118 114 HB THR 22 HB THR 22 111.491 -11.432 2.793 115 HG1 THR 22 HG1 THR 22 110.929 -11.115 0.592 116 1HG2 THR 22 1HG2 THR 22 110.807 -13.965 2.258 117 2HG2 THR 22 2HG2 THR 22 109.352 -13.431 3.100 118 3HG2 THR 22 3HG2 THR 22 110.924 -13.312 3.891 119 H ASN 23 H ASN 23 110.848 -10.166 4.598 120 HA ASN 23 HA ASN 23 110.181 -11.477 6.794 121 1HB ASN 23 1HB ASN 23 110.505 -8.473 6.718 122 2HB ASN 23 2HB ASN 23 110.740 -9.505 8.129 123 1HD2 ASN 23 1HD2 ASN 23 112.009 -8.591 4.997 124 2HD2 ASN 23 2HD2 ASN 23 113.591 -9.238 5.242 125 H LYS 24 H LYS 24 108.246 -8.659 5.708 126 HA LYS 24 HA LYS 24 106.146 -9.588 7.557 127 1HB LYS 24 1HB LYS 24 107.192 -6.898 6.953 128 2HB LYS 24 2HB LYS 24 105.443 -7.017 7.114 129 1HG LYS 24 1HG LYS 24 105.746 -6.828 9.303 130 2HG LYS 24 2HG LYS 24 106.411 -8.463 9.265 131 1HD LYS 24 1HD LYS 24 108.079 -6.009 8.769 132 2HD LYS 24 2HD LYS 24 107.846 -6.698 10.376 133 1HE LYS 24 1HE LYS 24 109.034 -8.098 7.985 134 2HE LYS 24 2HE LYS 24 109.924 -7.488 9.379 135 1HZ LYS 24 1HZ LYS 24 108.505 -9.022 10.751 136 2HZ LYS 24 2HZ LYS 24 109.624 -9.780 9.733 137 3HZ LYS 24 3HZ LYS 24 107.989 -9.730 9.303 138 H GLY 25 H GLY 25 106.515 -10.384 4.689 139 1HA GLY 25 1HA GLY 25 104.065 -10.810 3.797 140 2HA GLY 25 2HA GLY 25 104.201 -9.099 3.434 141 H ARG 26 H ARG 26 104.022 -9.359 1.224 142 HA ARG 26 HA ARG 26 106.441 -10.361 -0.076 143 1HB ARG 26 1HB ARG 26 104.795 -11.281 -1.904 144 2HB ARG 26 2HB ARG 26 105.190 -12.249 -0.491 145 1HG ARG 26 1HG ARG 26 102.796 -10.468 -0.445 146 2HG ARG 26 2HG ARG 26 102.724 -12.028 -1.265 147 1HD ARG 26 1HD ARG 26 103.945 -12.222 1.361 148 2HD ARG 26 2HD ARG 26 102.316 -11.554 1.433 149 HE ARG 26 HE ARG 26 102.373 -13.845 -0.225 150 1HH1 ARG 26 1HH1 ARG 26 102.481 -12.892 3.130 151 2HH1 ARG 26 2HH1 ARG 26 101.796 -14.376 3.703 152 1HH2 ARG 26 1HH2 ARG 26 101.471 -15.797 0.526 153 2HH2 ARG 26 2HH2 ARG 26 101.223 -16.025 2.224 154 H THR 27 H THR 27 103.671 -9.655 -2.050 155 HA THR 27 HA THR 27 104.748 -6.983 -2.598 156 HB THR 27 HB THR 27 104.071 -9.235 -4.409 157 HG1 THR 27 HG1 THR 27 105.816 -8.274 -5.564 158 1HG2 THR 27 1HG2 THR 27 102.453 -7.704 -5.220 159 2HG2 THR 27 2HG2 THR 27 103.824 -7.696 -6.332 160 3HG2 THR 27 3HG2 THR 27 103.609 -6.372 -5.183 161 H LYS 28 H LYS 28 102.378 -8.355 -1.084 162 HA LYS 28 HA LYS 28 100.126 -6.954 -2.262 163 1HB LYS 28 1HB LYS 28 100.430 -8.906 -0.012 164 2HB LYS 28 2HB LYS 28 98.892 -8.136 -0.390 165 1HG LYS 28 1HG LYS 28 99.187 -10.443 -1.325 166 2HG LYS 28 2HG LYS 28 98.781 -9.202 -2.510 167 1HD LYS 28 1HD LYS 28 101.066 -9.085 -3.256 168 2HD LYS 28 2HD LYS 28 101.591 -10.155 -1.955 169 1HE LYS 28 1HE LYS 28 101.451 -11.699 -3.613 170 2HE LYS 28 2HE LYS 28 99.771 -11.746 -3.079 171 1HZ LYS 28 1HZ LYS 28 99.674 -9.778 -4.869 172 2HZ LYS 28 2HZ LYS 28 99.379 -11.399 -5.250 173 3HZ LYS 28 3HZ LYS 28 100.902 -10.724 -5.547 174 H LEU 29 H LEU 29 102.263 -5.455 -1.086 175 HA LEU 29 HA LEU 29 101.542 -4.557 1.516 176 1HB LEU 29 1HB LEU 29 103.004 -2.593 -0.088 177 2HB LEU 29 2HB LEU 29 103.388 -3.263 1.472 178 HG LEU 29 HG LEU 29 104.301 -4.090 -1.244 179 1HD1 LEU 29 1HD1 LEU 29 105.579 -4.050 1.497 180 2HD1 LEU 29 2HD1 LEU 29 105.745 -2.805 0.264 181 3HD1 LEU 29 3HD1 LEU 29 106.397 -4.419 -0.017 182 1HD2 LEU 29 1HD2 LEU 29 105.051 -6.192 0.435 183 2HD2 LEU 29 2HD2 LEU 29 103.904 -6.270 -0.895 184 3HD2 LEU 29 3HD2 LEU 29 103.331 -5.981 0.746 185 HA PRO 30 HA PRO 30 98.422 -1.426 1.257 186 1HB PRO 30 1HB PRO 30 100.649 0.556 0.877 187 2HB PRO 30 2HB PRO 30 99.161 0.724 1.822 188 1HG PRO 30 1HG PRO 30 101.480 0.071 2.996 189 2HG PRO 30 2HG PRO 30 99.939 -0.624 3.538 190 1HD PRO 30 1HD PRO 30 102.184 -1.915 2.140 191 2HD PRO 30 2HD PRO 30 100.846 -2.655 3.047 192 HA PRO 31 HA PRO 31 97.390 -1.088 -3.033 193 1HB PRO 31 1HB PRO 31 96.561 1.684 -2.255 194 2HB PRO 31 2HB PRO 31 95.702 0.489 -3.240 195 1HG PRO 31 1HG PRO 31 95.045 0.884 -0.682 196 2HG PRO 31 2HG PRO 31 95.023 -0.738 -1.397 197 1HD PRO 31 1HD PRO 31 96.919 0.441 0.546 198 2HD PRO 31 2HD PRO 31 96.490 -1.259 0.275 199 H GLY 32 H GLY 32 99.223 -0.997 -4.259 200 1HA GLY 32 1HA GLY 32 100.336 0.385 -5.896 201 2HA GLY 32 2HA GLY 32 100.340 1.691 -4.727 202 H VAL 33 H VAL 33 101.369 -1.703 -4.310 203 HA VAL 33 HA VAL 33 104.126 -0.755 -3.935 204 HB VAL 33 HB VAL 33 103.037 -2.879 -2.182 205 1HG1 VAL 33 1HG1 VAL 33 105.358 -2.827 -2.255 206 2HG1 VAL 33 2HG1 VAL 33 104.943 -1.918 -0.805 207 3HG1 VAL 33 3HG1 VAL 33 105.409 -1.067 -2.271 208 1HG2 VAL 33 1HG2 VAL 33 101.893 -1.424 -0.940 209 2HG2 VAL 33 2HG2 VAL 33 102.238 -0.143 -2.099 210 3HG2 VAL 33 3HG2 VAL 33 103.335 -0.437 -0.753 211 H ASP 34 H ASP 34 105.602 -1.811 -4.925 212 HA ASP 34 HA ASP 34 105.255 -4.613 -5.642 213 1HB ASP 34 1HB ASP 34 104.578 -2.804 -7.517 214 2HB ASP 34 2HB ASP 34 106.315 -2.883 -7.813 215 H ARG 35 H ARG 35 107.216 -5.711 -5.984 216 HA ARG 35 HA ARG 35 109.388 -4.907 -4.458 217 1HB ARG 35 1HB ARG 35 108.746 -7.096 -6.232 218 2HB ARG 35 2HB ARG 35 110.432 -6.635 -6.403 219 1HG ARG 35 1HG ARG 35 110.435 -8.283 -4.754 220 2HG ARG 35 2HG ARG 35 110.555 -6.762 -3.860 221 1HD ARG 35 1HD ARG 35 108.703 -7.241 -2.736 222 2HD ARG 35 2HD ARG 35 107.795 -7.415 -4.236 223 HE ARG 35 HE ARG 35 108.862 -9.522 -2.586 224 1HH1 ARG 35 1HH1 ARG 35 107.744 -8.672 -5.781 225 2HH1 ARG 35 2HH1 ARG 35 107.368 -10.304 -6.217 226 1HH2 ARG 35 1HH2 ARG 35 108.368 -11.666 -3.161 227 2HH2 ARG 35 2HH2 ARG 35 107.721 -12.003 -4.731 228 H MET 36 H MET 36 108.537 -3.943 -7.645 229 HA MET 36 HA MET 36 110.967 -3.411 -8.837 230 1HB MET 36 1HB MET 36 108.421 -3.031 -9.565 231 2HB MET 36 2HB MET 36 108.837 -1.373 -9.160 232 1HG MET 36 1HG MET 36 110.290 -1.159 -10.891 233 2HG MET 36 2HG MET 36 110.711 -2.875 -10.892 234 1HE MET 36 1HE MET 36 109.483 -3.631 -14.115 235 2HE MET 36 2HE MET 36 110.837 -3.178 -13.079 236 3HE MET 36 3HE MET 36 110.074 -1.970 -14.111 237 H ARG 37 H ARG 37 109.181 -1.382 -6.524 238 HA ARG 37 HA ARG 37 111.662 -0.008 -5.885 239 1HB ARG 37 1HB ARG 37 110.210 2.206 -5.969 240 2HB ARG 37 2HB ARG 37 111.098 1.631 -7.369 241 1HG ARG 37 1HG ARG 37 108.473 0.460 -7.309 242 2HG ARG 37 2HG ARG 37 108.372 2.218 -7.194 243 1HD ARG 37 1HD ARG 37 110.172 2.058 -9.142 244 2HD ARG 37 2HD ARG 37 109.376 0.507 -9.402 245 HE ARG 37 HE ARG 37 108.352 3.070 -10.057 246 1HH1 ARG 37 1HH1 ARG 37 107.376 -0.077 -8.909 247 2HH1 ARG 37 2HH1 ARG 37 105.769 0.053 -9.538 248 1HH2 ARG 37 1HH2 ARG 37 106.237 3.245 -10.884 249 2HH2 ARG 37 2HH2 ARG 37 105.121 1.939 -10.658 250 H LEU 38 H LEU 38 111.013 -1.494 -4.046 251 HA LEU 38 HA LEU 38 108.852 -0.647 -2.383 252 1HB LEU 38 1HB LEU 38 110.990 -2.712 -2.247 253 2HB LEU 38 2HB LEU 38 110.146 -2.269 -0.766 254 HG LEU 38 HG LEU 38 108.666 -3.068 -3.263 255 1HD1 LEU 38 1HD1 LEU 38 110.301 -4.840 -2.378 256 2HD1 LEU 38 2HD1 LEU 38 108.612 -5.299 -2.597 257 3HD1 LEU 38 3HD1 LEU 38 109.225 -4.934 -0.984 258 1HD2 LEU 38 1HD2 LEU 38 107.363 -1.883 -1.687 259 2HD2 LEU 38 2HD2 LEU 38 107.968 -2.865 -0.354 260 3HD2 LEU 38 3HD2 LEU 38 106.932 -3.589 -1.582 261 H GLU 39 H GLU 39 112.402 -0.356 -2.211 262 HA GLU 39 HA GLU 39 112.365 1.079 0.230 263 1HB GLU 39 1HB GLU 39 114.719 1.590 -0.252 264 2HB GLU 39 2HB GLU 39 114.358 -0.118 -0.432 265 1HG GLU 39 1HG GLU 39 115.745 0.419 -2.223 266 2HG GLU 39 2HG GLU 39 114.123 0.331 -2.906 267 H ARG 40 H ARG 40 110.850 2.003 -2.350 268 HA ARG 40 HA ARG 40 111.714 4.812 -2.196 269 1HB ARG 40 1HB ARG 40 111.564 3.205 -4.436 270 2HB ARG 40 2HB ARG 40 110.038 4.074 -4.478 271 1HG ARG 40 1HG ARG 40 111.786 6.088 -3.953 272 2HG ARG 40 2HG ARG 40 112.765 5.021 -4.963 273 1HD ARG 40 1HD ARG 40 111.137 5.088 -6.719 274 2HD ARG 40 2HD ARG 40 109.995 5.957 -5.695 275 HE ARG 40 HE ARG 40 112.213 7.063 -7.154 276 1HH1 ARG 40 1HH1 ARG 40 110.059 7.511 -4.446 277 2HH1 ARG 40 2HH1 ARG 40 110.262 9.230 -4.408 278 1HH2 ARG 40 1HH2 ARG 40 112.483 9.324 -7.105 279 2HH2 ARG 40 2HH2 ARG 40 111.639 10.260 -5.918 280 H HIS 41 H HIS 41 109.383 2.558 -1.439 281 HA HIS 41 HA HIS 41 107.100 4.338 -1.546 282 1HB HIS 41 1HB HIS 41 107.544 1.450 -0.843 283 2HB HIS 41 2HB HIS 41 106.036 2.254 -0.436 284 HD1 HIS 41 HD1 HIS 41 105.315 3.770 -2.890 285 HD2 HIS 41 HD2 HIS 41 107.055 0.000 -3.052 286 HE1 HIS 41 HE1 HIS 41 104.713 2.846 -5.151 287 HE2 HIS 41 HE2 HIS 41 105.871 0.613 -5.268 288 H LEU 42 H LEU 42 109.651 3.774 0.533 289 HA LEU 42 HA LEU 42 108.224 4.042 3.015 290 1HB LEU 42 1HB LEU 42 111.164 4.098 2.340 291 2HB LEU 42 2HB LEU 42 110.515 4.135 3.973 292 HG LEU 42 HG LEU 42 109.480 1.894 2.435 293 1HD1 LEU 42 1HD1 LEU 42 112.057 2.423 1.752 294 2HD1 LEU 42 2HD1 LEU 42 111.311 0.823 1.751 295 3HD1 LEU 42 3HD1 LEU 42 112.264 1.349 3.142 296 1HD2 LEU 42 1HD2 LEU 42 110.021 0.703 4.429 297 2HD2 LEU 42 2HD2 LEU 42 109.331 2.263 4.875 298 3HD2 LEU 42 3HD2 LEU 42 111.073 2.010 4.976 299 H SER 43 H SER 43 108.199 5.820 4.343 300 HA SER 43 HA SER 43 108.390 8.368 3.040 301 1HB SER 43 1HB SER 43 108.001 8.943 5.701 302 2HB SER 43 2HB SER 43 106.713 8.634 4.532 303 HG SER 43 HG SER 43 107.939 6.739 6.256 304 H ALA 44 H ALA 44 109.590 10.195 3.986 305 HA ALA 44 HA ALA 44 112.303 9.819 4.017 306 1HB ALA 44 1HB ALA 44 110.516 11.979 4.942 307 2HB ALA 44 2HB ALA 44 111.880 12.033 3.825 308 3HB ALA 44 3HB ALA 44 112.166 12.011 5.565 309 H GLU 45 H GLU 45 110.063 9.424 6.646 310 HA GLU 45 HA GLU 45 112.084 9.259 8.681 311 1HB GLU 45 1HB GLU 45 109.963 8.007 9.817 312 2HB GLU 45 2HB GLU 45 110.187 9.749 9.816 313 1HG GLU 45 1HG GLU 45 108.609 10.074 8.140 314 2HG GLU 45 2HG GLU 45 108.681 8.394 7.615 315 H ASP 46 H ASP 46 109.807 6.842 7.383 316 HA ASP 46 HA ASP 46 110.924 4.569 8.430 317 1HB ASP 46 1HB ASP 46 109.558 5.012 5.776 318 2HB ASP 46 2HB ASP 46 110.007 3.408 6.364 319 H PHE 47 H PHE 47 111.841 6.230 5.426 320 HA PHE 47 HA PHE 47 113.744 4.367 4.569 321 1HB PHE 47 1HB PHE 47 112.682 6.427 3.365 322 2HB PHE 47 2HB PHE 47 114.058 7.299 4.045 323 HD1 PHE 47 HD1 PHE 47 113.276 4.209 2.144 324 HD2 PHE 47 HD2 PHE 47 116.008 7.389 2.846 325 HE1 PHE 47 HE1 PHE 47 114.701 3.396 0.297 326 HE2 PHE 47 HE2 PHE 47 117.433 6.589 1.004 327 HZ PHE 47 HZ PHE 47 116.773 4.592 -0.276 328 H SER 48 H SER 48 114.249 7.458 6.276 329 HA SER 48 HA SER 48 117.014 7.130 6.609 330 1HB SER 48 1HB SER 48 115.725 9.285 6.819 331 2HB SER 48 2HB SER 48 115.197 8.739 8.411 332 HG SER 48 HG SER 48 117.544 9.851 7.678 333 H ARG 49 H ARG 49 114.461 5.524 8.187 334 HA ARG 49 HA ARG 49 115.989 5.047 10.623 335 1HB ARG 49 1HB ARG 49 113.307 3.912 9.821 336 2HB ARG 49 2HB ARG 49 114.034 3.859 11.420 337 1HG ARG 49 1HG ARG 49 113.896 6.568 10.539 338 2HG ARG 49 2HG ARG 49 112.317 5.805 10.350 339 1HD ARG 49 1HD ARG 49 112.115 6.447 12.519 340 2HD ARG 49 2HD ARG 49 112.908 4.891 12.778 341 HE ARG 49 HE ARG 49 114.791 5.996 13.492 342 1HH1 ARG 49 1HH1 ARG 49 112.620 8.280 11.988 343 2HH1 ARG 49 2HH1 ARG 49 113.516 9.665 12.512 344 1HH2 ARG 49 1HH2 ARG 49 115.967 7.818 14.183 345 2HH2 ARG 49 2HH2 ARG 49 115.416 9.404 13.757 346 H VAL 50 H VAL 50 114.804 3.301 7.802 347 HA VAL 50 HA VAL 50 115.973 0.808 8.689 348 HB VAL 50 HB VAL 50 114.900 1.317 5.928 349 1HG1 VAL 50 1HG1 VAL 50 114.646 -1.190 7.539 350 2HG1 VAL 50 2HG1 VAL 50 116.144 -0.817 6.686 351 3HG1 VAL 50 3HG1 VAL 50 114.634 -0.977 5.789 352 1HG2 VAL 50 1HG2 VAL 50 113.381 1.917 8.064 353 2HG2 VAL 50 2HG2 VAL 50 113.074 0.185 7.947 354 3HG2 VAL 50 3HG2 VAL 50 112.739 1.233 6.569 355 H PHE 51 H PHE 51 116.712 3.308 6.296 356 HA PHE 51 HA PHE 51 119.119 1.797 5.548 357 1HB PHE 51 1HB PHE 51 117.755 4.107 4.155 358 2HB PHE 51 2HB PHE 51 119.227 3.315 3.594 359 HD1 PHE 51 HD1 PHE 51 115.881 3.535 3.008 360 HD2 PHE 51 HD2 PHE 51 118.886 0.587 3.580 361 HE1 PHE 51 HE1 PHE 51 114.525 1.918 1.728 362 HE2 PHE 51 HE2 PHE 51 117.538 -1.036 2.305 363 HZ PHE 51 HZ PHE 51 115.364 -0.364 1.378 364 H ALA 52 H ALA 52 118.048 4.872 6.874 365 HA ALA 52 HA ALA 52 119.200 6.419 8.124 366 1HB ALA 52 1HB ALA 52 121.764 4.953 7.664 367 2HB ALA 52 2HB ALA 52 120.563 4.342 8.803 368 3HB ALA 52 3HB ALA 52 121.280 5.936 9.046 369 H MET 53 H MET 53 119.153 6.125 5.061 370 HA MET 53 HA MET 53 120.991 8.350 4.520 371 1HB MET 53 1HB MET 53 120.954 7.041 2.133 372 2HB MET 53 2HB MET 53 122.244 6.932 3.326 373 1HG MET 53 1HG MET 53 121.672 4.834 3.968 374 2HG MET 53 2HG MET 53 119.956 5.078 3.633 375 1HE MET 53 1HE MET 53 119.136 5.568 1.238 376 2HE MET 53 2HE MET 53 119.789 4.791 -0.202 377 3HE MET 53 3HE MET 53 120.519 6.274 0.398 378 H SER 54 H SER 54 120.431 9.555 2.583 379 HA SER 54 HA SER 54 117.687 10.268 2.634 380 1HB SER 54 1HB SER 54 120.046 11.108 0.959 381 2HB SER 54 2HB SER 54 118.426 11.758 0.673 382 HG SER 54 HG SER 54 118.502 12.281 3.022 383 HA PRO 55 HA PRO 55 115.859 7.590 -0.407 384 1HB PRO 55 1HB PRO 55 114.532 10.101 -1.324 385 2HB PRO 55 2HB PRO 55 113.815 8.535 -0.925 386 1HG PRO 55 1HG PRO 55 113.620 10.601 0.754 387 2HG PRO 55 2HG PRO 55 113.854 8.946 1.355 388 1HD PRO 55 1HD PRO 55 115.798 11.197 1.191 389 2HD PRO 55 2HD PRO 55 115.683 9.884 2.383 390 H GLU 56 H GLU 56 117.310 10.673 -1.155 391 HA GLU 56 HA GLU 56 117.620 10.127 -3.967 392 1HB GLU 56 1HB GLU 56 117.434 12.415 -3.536 393 2HB GLU 56 2HB GLU 56 118.451 12.328 -2.101 394 1HG GLU 56 1HG GLU 56 120.338 12.651 -3.261 395 2HG GLU 56 2HG GLU 56 119.808 11.640 -4.609 396 H GLU 57 H GLU 57 119.470 9.812 -1.013 397 HA GLU 57 HA GLU 57 122.023 9.452 -2.058 398 1HB GLU 57 1HB GLU 57 120.674 8.792 0.496 399 2HB GLU 57 2HB GLU 57 122.014 7.731 0.080 400 1HG GLU 57 1HG GLU 57 123.410 9.785 -0.261 401 2HG GLU 57 2HG GLU 57 122.075 10.710 0.423 402 H PHE 58 H PHE 58 119.569 6.960 -1.311 403 HA PHE 58 HA PHE 58 120.821 4.657 -2.088 404 1HB PHE 58 1HB PHE 58 118.263 5.314 -1.445 405 2HB PHE 58 2HB PHE 58 118.068 4.994 -3.166 406 HD1 PHE 58 HD1 PHE 58 118.749 2.731 -4.051 407 HD2 PHE 58 HD2 PHE 58 118.407 3.566 0.108 408 HE1 PHE 58 HE1 PHE 58 118.571 0.322 -3.581 409 HE2 PHE 58 HE2 PHE 58 118.241 1.164 0.584 410 HZ PHE 58 HZ PHE 58 118.321 -0.468 -1.259 411 H GLY 59 H GLY 59 118.767 6.523 -4.349 412 1HA GLY 59 1HA GLY 59 119.486 5.192 -6.669 413 2HA GLY 59 2HA GLY 59 118.946 6.864 -6.613 414 H LYS 60 H LYS 60 121.324 7.498 -4.850 415 HA LYS 60 HA LYS 60 123.208 7.863 -7.056 416 1HB LYS 60 1HB LYS 60 123.051 9.186 -4.342 417 2HB LYS 60 2HB LYS 60 124.264 9.548 -5.569 418 1HG LYS 60 1HG LYS 60 121.530 9.728 -6.564 419 2HG LYS 60 2HG LYS 60 121.873 10.844 -5.237 420 1HD LYS 60 1HD LYS 60 124.009 10.734 -7.221 421 2HD LYS 60 2HD LYS 60 122.465 11.256 -7.898 422 1HE LYS 60 1HE LYS 60 123.937 13.098 -7.026 423 2HE LYS 60 2HE LYS 60 122.302 13.060 -6.367 424 1HZ LYS 60 1HZ LYS 60 124.373 11.616 -4.900 425 2HZ LYS 60 2HZ LYS 60 123.040 12.480 -4.320 426 3HZ LYS 60 3HZ LYS 60 124.421 13.306 -4.840 427 H LEU 61 H LEU 61 122.762 5.607 -4.718 428 HA LEU 61 HA LEU 61 125.452 5.388 -3.772 429 1HB LEU 61 1HB LEU 61 122.986 3.662 -3.499 430 2HB LEU 61 2HB LEU 61 124.513 3.278 -2.738 431 HG LEU 61 HG LEU 61 122.684 5.557 -2.128 432 1HD1 LEU 61 1HD1 LEU 61 122.014 3.903 -0.768 433 2HD1 LEU 61 2HD1 LEU 61 123.359 4.492 0.209 434 3HD1 LEU 61 3HD1 LEU 61 123.569 3.075 -0.820 435 1HD2 LEU 61 1HD2 LEU 61 124.441 6.288 -0.503 436 2HD2 LEU 61 2HD2 LEU 61 124.840 6.577 -2.196 437 3HD2 LEU 61 3HD2 LEU 61 125.568 5.219 -1.338 438 H ALA 62 H ALA 62 125.268 2.396 -3.992 439 HA ALA 62 HA ALA 62 125.946 2.101 -6.835 440 1HB ALA 62 1HB ALA 62 127.422 0.705 -4.627 441 2HB ALA 62 2HB ALA 62 127.943 2.246 -5.303 442 3HB ALA 62 3HB ALA 62 127.862 0.814 -6.330 443 H LEU 63 H LEU 63 125.970 -0.186 -7.572 444 HA LEU 63 HA LEU 63 123.517 -1.440 -7.063 445 1HB LEU 63 1HB LEU 63 125.024 -1.625 -9.104 446 2HB LEU 63 2HB LEU 63 125.935 -2.819 -8.199 447 HG LEU 63 HG LEU 63 123.161 -3.510 -8.103 448 1HD1 LEU 63 1HD1 LEU 63 122.936 -4.025 -10.563 449 2HD1 LEU 63 2HD1 LEU 63 124.250 -2.880 -10.830 450 3HD1 LEU 63 3HD1 LEU 63 122.739 -2.335 -10.101 451 1HD2 LEU 63 1HD2 LEU 63 125.470 -4.819 -8.043 452 2HD2 LEU 63 2HD2 LEU 63 125.099 -5.022 -9.756 453 3HD2 LEU 63 3HD2 LEU 63 123.961 -5.591 -8.534 454 H TRP 64 H TRP 64 126.656 -1.890 -5.576 455 HA TRP 64 HA TRP 64 125.869 -4.328 -4.259 456 1HB TRP 64 1HB TRP 64 128.108 -3.983 -3.131 457 2HB TRP 64 2HB TRP 64 128.171 -4.133 -4.892 458 HD1 TRP 64 HD1 TRP 64 129.102 -2.071 -6.220 459 HE1 TRP 64 HE1 TRP 64 130.053 0.207 -5.515 460 HE3 TRP 64 HE3 TRP 64 127.692 -2.176 -1.439 461 HZ2 TRP 64 HZ2 TRP 64 130.179 1.760 -3.103 462 HZ3 TRP 64 HZ3 TRP 64 128.261 -0.262 0.044 463 HH2 TRP 64 HH2 TRP 64 129.463 1.659 -0.785 464 H LYS 65 H LYS 65 126.119 -0.921 -3.721 465 HA LYS 65 HA LYS 65 125.670 -0.939 -0.903 466 1HB LYS 65 1HB LYS 65 126.352 0.994 -2.709 467 2HB LYS 65 2HB LYS 65 124.652 1.371 -2.446 468 1HG LYS 65 1HG LYS 65 126.911 1.408 -0.476 469 2HG LYS 65 2HG LYS 65 125.795 2.702 -0.914 470 1HD LYS 65 1HD LYS 65 124.655 2.154 0.925 471 2HD LYS 65 2HD LYS 65 124.136 0.711 0.050 472 1HE LYS 65 1HE LYS 65 124.990 -0.159 2.023 473 2HE LYS 65 2HE LYS 65 126.347 -0.320 0.899 474 1HZ LYS 65 1HZ LYS 65 126.871 2.067 1.881 475 2HZ LYS 65 2HZ LYS 65 127.420 0.649 2.621 476 3HZ LYS 65 3HZ LYS 65 126.042 1.432 3.213 477 H ARG 66 H ARG 66 123.513 0.029 -3.575 478 HA ARG 66 HA ARG 66 121.107 0.172 -2.314 479 1HB ARG 66 1HB ARG 66 121.580 -1.123 -5.005 480 2HB ARG 66 2HB ARG 66 120.055 -0.465 -4.437 481 1HG ARG 66 1HG ARG 66 121.534 1.717 -4.160 482 2HG ARG 66 2HG ARG 66 122.472 0.921 -5.426 483 1HD ARG 66 1HD ARG 66 119.904 0.609 -6.319 484 2HD ARG 66 2HD ARG 66 119.848 2.202 -5.552 485 HE ARG 66 HE ARG 66 122.094 1.836 -7.311 486 1HH1 ARG 66 1HH1 ARG 66 118.736 2.770 -7.112 487 2HH1 ARG 66 2HH1 ARG 66 118.789 3.729 -8.552 488 1HH2 ARG 66 1HH2 ARG 66 122.164 3.098 -9.206 489 2HH2 ARG 66 2HH2 ARG 66 120.734 3.915 -9.741 490 H ASN 67 H ASN 67 122.709 -2.734 -3.503 491 HA ASN 67 HA ASN 67 120.686 -4.578 -2.855 492 1HB ASN 67 1HB ASN 67 123.582 -4.704 -3.467 493 2HB ASN 67 2HB ASN 67 122.930 -6.075 -2.570 494 1HD2 ASN 67 1HD2 ASN 67 122.075 -4.025 -5.342 495 2HD2 ASN 67 2HD2 ASN 67 121.533 -5.320 -6.349 496 H GLU 68 H GLU 68 123.742 -4.153 -1.084 497 HA GLU 68 HA GLU 68 123.207 -5.520 1.188 498 1HB GLU 68 1HB GLU 68 124.900 -3.174 0.559 499 2HB GLU 68 2HB GLU 68 124.603 -3.486 2.264 500 1HG GLU 68 1HG GLU 68 126.024 -5.188 2.294 501 2HG GLU 68 2HG GLU 68 125.315 -5.903 0.847 502 H LEU 69 H LEU 69 122.159 -2.210 0.466 503 HA LEU 69 HA LEU 69 121.104 -1.642 3.015 504 1HB LEU 69 1HB LEU 69 120.024 -0.587 0.415 505 2HB LEU 69 2HB LEU 69 119.933 0.160 1.998 506 HG LEU 69 HG LEU 69 122.594 -0.358 0.845 507 1HD1 LEU 69 1HD1 LEU 69 122.457 1.129 -0.806 508 2HD1 LEU 69 2HD1 LEU 69 121.556 2.266 0.195 509 3HD1 LEU 69 3HD1 LEU 69 120.712 0.968 -0.639 510 1HD2 LEU 69 1HD2 LEU 69 122.995 1.859 2.008 511 2HD2 LEU 69 2HD2 LEU 69 122.626 0.479 3.044 512 3HD2 LEU 69 3HD2 LEU 69 121.377 1.672 2.686 513 H LYS 70 H LYS 70 119.362 -2.456 0.045 514 HA LYS 70 HA LYS 70 116.881 -3.018 1.242 515 1HB LYS 70 1HB LYS 70 118.199 -3.726 -1.338 516 2HB LYS 70 2HB LYS 70 116.754 -4.615 -0.883 517 1HG LYS 70 1HG LYS 70 115.405 -2.727 -0.975 518 2HG LYS 70 2HG LYS 70 116.780 -1.625 -0.846 519 1HD LYS 70 1HD LYS 70 116.193 -1.465 -3.089 520 2HD LYS 70 2HD LYS 70 117.505 -2.644 -3.111 521 1HE LYS 70 1HE LYS 70 114.825 -3.784 -2.731 522 2HE LYS 70 2HE LYS 70 115.079 -2.997 -4.288 523 1HZ LYS 70 1HZ LYS 70 115.715 -5.217 -4.585 524 2HZ LYS 70 2HZ LYS 70 116.576 -5.271 -3.130 525 3HZ LYS 70 3HZ LYS 70 117.174 -4.373 -4.432 526 H LYS 71 H LYS 71 119.826 -4.779 1.125 527 HA LYS 71 HA LYS 71 118.649 -7.334 1.762 528 1HB LYS 71 1HB LYS 71 121.455 -6.309 1.357 529 2HB LYS 71 2HB LYS 71 121.161 -7.923 2.016 530 1HG LYS 71 1HG LYS 71 119.962 -8.562 0.035 531 2HG LYS 71 2HG LYS 71 120.063 -6.918 -0.598 532 1HD LYS 71 1HD LYS 71 121.956 -7.507 -1.615 533 2HD LYS 71 2HD LYS 71 122.701 -7.658 -0.022 534 1HE LYS 71 1HE LYS 71 121.108 -9.906 -1.204 535 2HE LYS 71 2HE LYS 71 122.798 -9.665 -1.644 536 1HZ LYS 71 1HZ LYS 71 122.755 -11.183 0.145 537 2HZ LYS 71 2HZ LYS 71 121.696 -10.223 1.050 538 3HZ LYS 71 3HZ LYS 71 123.289 -9.714 0.795 539 H LYS 72 H LYS 72 120.098 -4.663 3.463 540 HA LYS 72 HA LYS 72 120.188 -6.180 5.948 541 1HB LYS 72 1HB LYS 72 121.474 -4.406 6.870 542 2HB LYS 72 2HB LYS 72 122.101 -4.677 5.250 543 1HG LYS 72 1HG LYS 72 121.820 -2.525 4.819 544 2HG LYS 72 2HG LYS 72 120.075 -2.741 5.001 545 1HD LYS 72 1HD LYS 72 121.760 -2.411 7.442 546 2HD LYS 72 2HD LYS 72 121.378 -0.991 6.466 547 1HE LYS 72 1HE LYS 72 119.522 -0.896 7.724 548 2HE LYS 72 2HE LYS 72 118.940 -2.177 6.663 549 1HZ LYS 72 1HZ LYS 72 120.333 -2.620 9.248 550 2HZ LYS 72 2HZ LYS 72 119.671 -3.813 8.250 551 3HZ LYS 72 3HZ LYS 72 118.657 -2.702 9.025 552 H ALA 73 H ALA 73 118.360 -3.852 4.243 553 HA ALA 73 HA ALA 73 116.915 -2.796 6.487 554 1HB ALA 73 1HB ALA 73 116.964 -2.420 3.561 555 2HB ALA 73 2HB ALA 73 116.899 -1.224 4.855 556 3HB ALA 73 3HB ALA 73 115.434 -2.077 4.366 557 H GLU 74 H GLU 74 116.862 -5.780 5.146 558 HA GLU 74 HA GLU 74 115.407 -7.520 5.306 559 1HB GLU 74 1HB GLU 74 113.384 -5.676 6.561 560 2HB GLU 74 2HB GLU 74 113.544 -7.414 6.763 561 1HG GLU 74 1HG GLU 74 115.761 -5.630 7.644 562 2HG GLU 74 2HG GLU 74 114.317 -5.787 8.641 563 H LEU 75 H LEU 75 115.374 -5.362 3.162 564 HA LEU 75 HA LEU 75 112.993 -6.367 1.848 565 1HB LEU 75 1HB LEU 75 112.978 -3.756 0.982 566 2HB LEU 75 2HB LEU 75 111.841 -4.493 2.101 567 HG LEU 75 HG LEU 75 113.970 -3.683 3.679 568 1HD1 LEU 75 1HD1 LEU 75 113.921 -1.176 3.022 569 2HD1 LEU 75 2HD1 LEU 75 113.510 -1.786 1.415 570 3HD1 LEU 75 3HD1 LEU 75 115.026 -2.266 2.182 571 1HD2 LEU 75 1HD2 LEU 75 112.149 -1.714 3.993 572 2HD2 LEU 75 2HD2 LEU 75 111.993 -3.329 4.686 573 3HD2 LEU 75 3HD2 LEU 75 111.178 -2.936 3.173 574 H PHE 76 H PHE 76 114.870 -7.559 0.908 575 HA PHE 76 HA PHE 76 115.733 -6.122 -1.512 576 1HB PHE 76 1HB PHE 76 117.808 -6.244 -0.533 577 2HB PHE 76 2HB PHE 76 117.409 -7.689 0.397 578 HD1 PHE 76 HD1 PHE 76 117.686 -9.892 -0.571 579 HD2 PHE 76 HD2 PHE 76 118.604 -6.387 -2.800 580 HE1 PHE 76 HE1 PHE 76 118.895 -11.262 -2.220 581 HE2 PHE 76 HE2 PHE 76 119.814 -7.749 -4.453 582 HZ PHE 76 HZ PHE 76 119.960 -10.190 -4.165
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