NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494288 | 2l7q | 17370 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -29.602 -16.205 12.304 2 H2 MET 1 2H MET 1 -29.412 -17.882 12.502 3 H3 MET 1 3H MET 1 -30.645 -17.065 13.328 4 HA MET 1 HA MET 1 -30.443 -17.403 10.392 5 HB2 MET 1 2HB MET 1 -32.476 -18.531 12.327 6 HB3 MET 1 3HB MET 1 -32.393 -18.833 10.596 7 HG2 MET 1 2HG MET 1 -30.379 -19.693 12.658 8 HG3 MET 1 3HG MET 1 -31.558 -20.725 11.853 9 HE1 MET 1 3HE MET 1 -30.274 -20.797 8.181 10 HE2 MET 1 1HE MET 1 -31.505 -19.739 8.873 11 HE3 MET 1 2HE MET 1 -31.441 -21.439 9.338 12 H ASN 2 H ASN 2 -32.328 -16.200 13.149 13 HA ASN 2 HA ASN 2 -33.645 -14.318 11.305 14 HB2 ASN 2 2HB ASN 2 -35.183 -15.925 12.447 15 HB3 ASN 2 3HB ASN 2 -34.666 -15.269 13.996 16 HD21 ASN 2 1HD2 ASN 2 -35.407 -13.266 14.647 17 HD22 ASN 2 2HD2 ASN 2 -36.675 -12.417 13.816 18 H GLU 3 H GLU 3 -31.679 -13.028 11.554 19 HA GLU 3 HA GLU 3 -32.114 -11.109 13.683 20 HB2 GLU 3 2HB GLU 3 -29.686 -10.933 14.191 21 HB3 GLU 3 3HB GLU 3 -30.413 -12.441 14.718 22 HG2 GLU 3 2HG GLU 3 -28.916 -12.229 12.126 23 HG3 GLU 3 3HG GLU 3 -28.100 -12.535 13.657 24 H LEU 4 H LEU 4 -30.655 -9.129 13.288 25 HA LEU 4 HA LEU 4 -31.237 -8.394 10.556 26 HB2 LEU 4 2HB LEU 4 -30.326 -6.831 12.954 27 HB3 LEU 4 3HB LEU 4 -30.412 -6.110 11.360 28 HG LEU 4 HG LEU 4 -32.869 -6.773 11.338 29 HD11 LEU 4 1HD1 LEU 4 -32.335 -7.176 14.277 30 HD12 LEU 4 2HD1 LEU 4 -32.806 -8.426 13.125 31 HD13 LEU 4 3HD1 LEU 4 -33.924 -7.118 13.516 32 HD21 LEU 4 3HD2 LEU 4 -31.943 -4.809 13.430 33 HD22 LEU 4 1HD2 LEU 4 -33.528 -4.838 12.657 34 HD23 LEU 4 2HD2 LEU 4 -32.089 -4.483 11.703 35 H ASP 5 H ASP 5 -29.636 -9.773 9.612 36 HA ASP 5 HA ASP 5 -27.164 -8.254 9.236 37 HB2 ASP 5 2HB ASP 5 -26.498 -10.149 10.613 38 HB3 ASP 5 3HB ASP 5 -27.317 -11.264 9.523 39 H ILE 6 H ILE 6 -27.045 -7.660 7.200 40 HA ILE 6 HA ILE 6 -28.618 -9.161 5.228 41 HB ILE 6 HB ILE 6 -29.327 -6.870 5.401 42 HG12 ILE 6 2HG1 ILE 6 -28.892 -6.078 3.065 43 HG13 ILE 6 3HG1 ILE 6 -27.705 -7.368 2.898 44 HG21 ILE 6 1HG2 ILE 6 -27.305 -5.908 6.364 45 HG22 ILE 6 2HG2 ILE 6 -27.853 -4.976 4.971 46 HG23 ILE 6 3HG2 ILE 6 -26.482 -6.072 4.816 47 HD11 ILE 6 3HD1 ILE 6 -29.842 -7.958 1.886 48 HD12 ILE 6 1HD1 ILE 6 -30.640 -7.744 3.445 49 HD13 ILE 6 2HD1 ILE 6 -29.449 -9.029 3.231 50 H GLN 7 H GLN 7 -27.577 -10.400 3.856 51 HA GLN 7 HA GLN 7 -24.824 -9.666 3.102 52 HB2 GLN 7 2HB GLN 7 -24.497 -12.104 2.617 53 HB3 GLN 7 3HB GLN 7 -24.739 -11.728 4.317 54 HG2 GLN 7 2HG GLN 7 -26.992 -12.515 4.242 55 HG3 GLN 7 3HG GLN 7 -26.920 -12.701 2.493 56 HE21 GLN 7 1HE2 GLN 7 -25.838 -14.430 1.607 57 HE22 GLN 7 2HE2 GLN 7 -25.363 -15.806 2.542 58 H GLN 8 H GLN 8 -24.480 -9.220 1.031 59 HA GLN 8 HA GLN 8 -25.857 -10.615 -1.056 60 HB2 GLN 8 2HB GLN 8 -26.765 -8.583 -2.168 61 HB3 GLN 8 3HB GLN 8 -27.572 -8.975 -0.658 62 HG2 GLN 8 2HG GLN 8 -26.521 -7.196 0.480 63 HG3 GLN 8 3HG GLN 8 -25.375 -6.940 -0.835 64 HE21 GLN 8 1HE2 GLN 8 -25.914 -4.804 -1.089 65 HE22 GLN 8 2HE2 GLN 8 -27.423 -4.290 -1.762 66 H GLU 9 H GLU 9 -24.224 -11.140 -2.258 67 HA GLU 9 HA GLU 9 -22.346 -11.086 -3.514 68 HB2 GLU 9 2HB GLU 9 -23.594 -8.438 -4.199 69 HB3 GLU 9 3HB GLU 9 -22.245 -9.135 -5.087 70 HG2 GLU 9 2HG GLU 9 -23.591 -11.071 -5.656 71 HG3 GLU 9 3HG GLU 9 -24.936 -10.425 -4.720 72 H TYR 10 H TYR 10 -20.713 -11.142 -2.009 73 HA TYR 10 HA TYR 10 -19.080 -8.737 -2.119 74 HB2 TYR 10 2HB TYR 10 -18.386 -8.930 0.232 75 HB3 TYR 10 3HB TYR 10 -20.103 -8.597 0.084 76 HD1 TYR 10 HD1 TYR 10 -21.669 -10.722 0.222 77 HD2 TYR 10 HD2 TYR 10 -17.670 -10.584 1.660 78 HE1 TYR 10 HE1 TYR 10 -22.149 -12.613 1.720 79 HE2 TYR 10 HE2 TYR 10 -18.135 -12.476 3.158 80 HH TYR 10 HH TYR 10 -20.052 -13.540 4.240 81 HA PRO 11 HA PRO 11 -17.044 -12.792 -3.207 82 HB2 PRO 11 2HB PRO 11 -16.299 -11.504 -5.716 83 HB3 PRO 11 3HB PRO 11 -17.239 -12.975 -5.458 84 HG2 PRO 11 2HG PRO 11 -18.331 -10.677 -6.406 85 HG3 PRO 11 3HG PRO 11 -19.239 -11.846 -5.429 86 HD2 PRO 11 2HD PRO 11 -17.976 -9.258 -4.606 87 HD3 PRO 11 3HD PRO 11 -19.546 -9.947 -4.138 88 H PHE 12 H PHE 12 -15.980 -9.484 -3.797 89 HA PHE 12 HA PHE 12 -13.495 -9.882 -2.464 90 HB2 PHE 12 2HB PHE 12 -12.974 -10.954 -4.632 91 HB3 PHE 12 3HB PHE 12 -13.434 -9.478 -5.470 92 HD1 PHE 12 HD2 PHE 12 -10.959 -10.958 -3.160 93 HD2 PHE 12 HD1 PHE 12 -11.917 -7.692 -5.716 94 HE1 PHE 12 HE2 PHE 12 -8.640 -10.149 -2.991 95 HE2 PHE 12 HE1 PHE 12 -9.600 -6.881 -5.552 96 HZ PHE 12 HZ PHE 12 -7.957 -8.108 -4.187 97 H THR 13 H THR 13 -13.860 -8.067 -1.277 98 HA THR 13 HA THR 13 -14.062 -5.552 -2.799 99 HB THR 13 HB THR 13 -15.177 -4.556 -0.805 100 HG1 THR 13 HG1 THR 13 -15.221 -7.277 0.068 101 HG21 THR 13 3HG2 THR 13 -16.604 -6.920 -2.027 102 HG22 THR 13 1HG2 THR 13 -16.507 -5.296 -2.709 103 HG23 THR 13 2HG2 THR 13 -17.377 -5.566 -1.201 104 H VAL 14 H VAL 14 -12.575 -4.020 -2.399 105 HA VAL 14 HA VAL 14 -10.537 -4.662 -0.373 106 HB VAL 14 HB VAL 14 -10.300 -2.799 -2.747 107 HG11 VAL 14 1HG1 VAL 14 -8.214 -3.808 -0.811 108 HG12 VAL 14 2HG1 VAL 14 -8.854 -2.166 -0.884 109 HG13 VAL 14 3HG1 VAL 14 -7.908 -2.803 -2.228 110 HG21 VAL 14 3HG2 VAL 14 -9.201 -5.579 -2.354 111 HG22 VAL 14 1HG2 VAL 14 -8.868 -4.521 -3.724 112 HG23 VAL 14 2HG2 VAL 14 -10.503 -5.124 -3.451 113 H GLU 15 H GLU 15 -10.886 -3.624 1.460 114 HA GLU 15 HA GLU 15 -12.073 -0.939 1.374 115 HB2 GLU 15 2HB GLU 15 -13.159 -2.832 2.691 116 HB3 GLU 15 3HB GLU 15 -11.781 -2.740 3.777 117 HG2 GLU 15 2HG GLU 15 -12.348 -0.439 4.322 118 HG3 GLU 15 3HG GLU 15 -13.716 -0.506 3.209 119 H SER 16 H SER 16 -10.854 0.754 1.891 120 HA SER 16 HA SER 16 -8.245 0.237 3.143 121 HB2 SER 16 2HB SER 16 -8.132 0.889 0.729 122 HB3 SER 16 3HB SER 16 -8.914 2.413 1.145 123 HG SER 16 HG SER 16 -6.398 2.036 1.100 124 H MET 17 H MET 17 -7.823 1.302 4.963 125 HA MET 17 HA MET 17 -9.703 3.017 6.206 126 HB2 MET 17 2HB MET 17 -8.114 1.720 7.521 127 HB3 MET 17 3HB MET 17 -6.767 2.564 6.775 128 HG2 MET 17 2HG MET 17 -7.115 3.420 8.985 129 HG3 MET 17 3HG MET 17 -7.536 4.660 7.808 130 HE1 MET 17 3HE MET 17 -8.926 1.991 10.344 131 HE2 MET 17 1HE MET 17 -9.662 1.511 8.815 132 HE3 MET 17 2HE MET 17 -10.665 2.165 10.108 133 HA PRO 18 HA PRO 18 -9.001 6.741 3.861 134 HB2 PRO 18 2HB PRO 18 -9.824 8.396 5.987 135 HB3 PRO 18 3HB PRO 18 -10.832 7.792 4.671 136 HG2 PRO 18 2HG PRO 18 -10.510 6.759 7.441 137 HG3 PRO 18 3HG PRO 18 -11.945 6.767 6.401 138 HD2 PRO 18 2HD PRO 18 -10.561 4.519 6.828 139 HD3 PRO 18 3HD PRO 18 -11.258 4.875 5.232 140 H VAL 19 H VAL 19 -6.863 7.061 3.633 141 HA VAL 19 HA VAL 19 -5.264 7.871 5.933 142 HB VAL 19 HB VAL 19 -3.338 7.782 4.396 143 HG11 VAL 19 1HG1 VAL 19 -3.984 5.773 5.608 144 HG12 VAL 19 2HG1 VAL 19 -3.334 5.363 4.022 145 HG13 VAL 19 3HG1 VAL 19 -5.074 5.319 4.299 146 HG21 VAL 19 3HG2 VAL 19 -4.491 8.445 2.338 147 HG22 VAL 19 1HG2 VAL 19 -5.346 6.903 2.318 148 HG23 VAL 19 2HG2 VAL 19 -3.593 6.944 2.116 149 H ALA 20 H ALA 20 -3.919 9.792 5.806 150 HA ALA 20 HA ALA 20 -5.354 12.093 5.013 151 HB1 ALA 20 3HB ALA 20 -3.365 13.327 5.698 152 HB2 ALA 20 1HB ALA 20 -2.446 11.822 5.762 153 HB3 ALA 20 2HB ALA 20 -3.779 12.091 6.885 154 H ASP 21 H ASP 21 -5.415 13.118 3.111 155 HA ASP 21 HA ASP 21 -4.156 11.991 0.840 156 HB2 ASP 21 2HB ASP 21 -5.180 13.774 -0.440 157 HB3 ASP 21 3HB ASP 21 -6.339 13.177 0.738 158 H GLU 22 H GLU 22 -3.517 14.896 2.756 159 HA GLU 22 HA GLU 22 -1.114 15.378 1.164 160 HB2 GLU 22 2HB GLU 22 -0.997 17.527 2.423 161 HB3 GLU 22 3HB GLU 22 -2.463 17.332 1.475 162 HG2 GLU 22 2HG GLU 22 -3.649 16.645 3.537 163 HG3 GLU 22 3HG GLU 22 -2.183 16.997 4.452 164 H ILE 23 H ILE 23 0.900 15.166 1.941 165 HA ILE 23 HA ILE 23 1.217 14.412 4.756 166 HB ILE 23 HB ILE 23 1.259 12.371 3.356 167 HG12 ILE 23 2HG1 ILE 23 4.003 13.000 4.446 168 HG13 ILE 23 3HG1 ILE 23 2.617 12.602 5.457 169 HG21 ILE 23 1HG2 ILE 23 3.675 13.626 2.065 170 HG22 ILE 23 2HG2 ILE 23 2.117 13.327 1.297 171 HG23 ILE 23 3HG2 ILE 23 3.116 11.970 1.817 172 HD11 ILE 23 3HD1 ILE 23 3.849 10.821 3.369 173 HD12 ILE 23 1HD1 ILE 23 2.464 10.419 4.383 174 HD13 ILE 23 2HD1 ILE 23 4.048 10.673 5.115 175 H ALA 24 H ALA 24 3.154 15.054 5.719 176 HA ALA 24 HA ALA 24 4.149 17.514 4.539 177 HB1 ALA 24 3HB ALA 24 3.353 17.442 6.854 178 HB2 ALA 24 1HB ALA 24 5.037 17.959 6.754 179 HB3 ALA 24 2HB ALA 24 4.649 16.313 7.256 180 H GLY 25 H GLY 25 5.164 15.038 3.341 181 HA2 GLY 25 2HA GLY 25 7.205 14.330 2.496 182 HA3 GLY 25 3HA GLY 25 7.949 15.687 3.336 183 H ASP 26 H ASP 26 8.800 15.394 5.407 184 HA ASP 26 HA ASP 26 9.473 12.698 6.133 185 HB2 ASP 26 2HB ASP 26 9.922 15.333 7.548 186 HB3 ASP 26 3HB ASP 26 10.466 13.790 8.191 187 H GLU 27 H GLU 27 7.414 11.780 6.396 188 HA GLU 27 HA GLU 27 6.295 12.063 9.035 189 HB2 GLU 27 2HB GLU 27 5.219 13.892 7.717 190 HB3 GLU 27 3HB GLU 27 4.598 12.687 6.603 191 HG2 GLU 27 2HG GLU 27 3.161 11.778 8.252 192 HG3 GLU 27 3HG GLU 27 3.940 12.709 9.532 193 H THR 28 H THR 28 4.709 10.340 9.469 194 HA THR 28 HA THR 28 4.979 8.099 7.572 195 HB THR 28 HB THR 28 4.794 7.839 10.575 196 HG1 THR 28 HG1 THR 28 6.941 8.310 8.900 197 HG21 THR 28 3HG2 THR 28 3.983 5.888 9.346 198 HG22 THR 28 1HG2 THR 28 5.520 5.524 10.129 199 HG23 THR 28 2HG2 THR 28 5.470 5.854 8.398 200 H VAL 29 H VAL 29 3.115 7.443 6.764 201 HA VAL 29 HA VAL 29 0.667 7.810 8.366 202 HB VAL 29 HB VAL 29 -0.589 7.772 6.216 203 HG11 VAL 29 1HG1 VAL 29 1.507 9.926 6.474 204 HG12 VAL 29 2HG1 VAL 29 -0.069 9.894 7.264 205 HG13 VAL 29 3HG1 VAL 29 0.035 10.049 5.510 206 HG21 VAL 29 3HG2 VAL 29 1.036 6.581 4.844 207 HG22 VAL 29 1HG2 VAL 29 2.155 7.939 4.969 208 HG23 VAL 29 2HG2 VAL 29 0.624 8.134 4.118 209 H GLU 30 H GLU 30 -0.849 6.115 8.390 210 HA GLU 30 HA GLU 30 0.331 3.523 7.688 211 HB2 GLU 30 2HB GLU 30 -1.227 2.569 9.393 212 HB3 GLU 30 3HB GLU 30 -0.002 3.646 10.042 213 HG2 GLU 30 2HG GLU 30 -1.642 5.431 10.212 214 HG3 GLU 30 3HG GLU 30 -2.873 4.374 9.522 215 H ILE 31 H ILE 31 -0.447 2.592 5.995 216 HA ILE 31 HA ILE 31 -3.143 3.223 5.048 217 HB ILE 31 HB ILE 31 -1.057 1.535 3.652 218 HG12 ILE 31 2HG1 ILE 31 -1.590 4.501 3.331 219 HG13 ILE 31 3HG1 ILE 31 -0.175 3.804 4.113 220 HG21 ILE 31 1HG2 ILE 31 -2.361 2.119 1.644 221 HG22 ILE 31 2HG2 ILE 31 -3.512 2.987 2.661 222 HG23 ILE 31 3HG2 ILE 31 -3.323 1.241 2.833 223 HD11 ILE 31 3HD1 ILE 31 0.348 4.517 1.865 224 HD12 ILE 31 1HD1 ILE 31 -0.933 3.491 1.220 225 HD13 ILE 31 2HD1 ILE 31 0.473 2.764 1.997 226 H ARG 32 H ARG 32 -4.585 2.003 6.120 227 HA ARG 32 HA ARG 32 -3.950 -0.761 6.789 228 HB2 ARG 32 2HB ARG 32 -4.925 0.579 8.555 229 HB3 ARG 32 3HB ARG 32 -6.282 1.009 7.527 230 HG2 ARG 32 2HG ARG 32 -7.011 -1.331 7.513 231 HG3 ARG 32 3HG ARG 32 -5.660 -1.745 8.573 232 HD2 ARG 32 2HD ARG 32 -6.534 -0.194 10.267 233 HD3 ARG 32 3HD ARG 32 -7.897 0.175 9.209 234 HE ARG 32 HE ARG 32 -8.587 -2.165 9.463 235 HH11 ARG 32 1HH1 ARG 32 -6.310 -0.835 11.775 236 HH12 ARG 32 2HH1 ARG 32 -6.715 -1.975 13.026 237 HH21 ARG 32 1HH2 ARG 32 -9.149 -3.635 11.108 238 HH22 ARG 32 2HH2 ARG 32 -8.363 -3.551 12.656 239 H LEU 33 H LEU 33 -4.394 -2.291 5.392 240 HA LEU 33 HA LEU 33 -6.591 -1.906 3.482 241 HB2 LEU 33 2HB LEU 33 -4.149 -3.660 3.482 242 HB3 LEU 33 3HB LEU 33 -5.516 -4.034 2.455 243 HG LEU 33 HG LEU 33 -3.886 -2.892 1.149 244 HD11 LEU 33 1HD1 LEU 33 -5.146 -0.938 0.387 245 HD12 LEU 33 2HD1 LEU 33 -6.148 -1.031 1.836 246 HD13 LEU 33 3HD1 LEU 33 -6.186 -2.339 0.652 247 HD21 LEU 33 3HD2 LEU 33 -3.094 -0.642 1.681 248 HD22 LEU 33 1HD2 LEU 33 -2.634 -1.807 2.923 249 HD23 LEU 33 2HD2 LEU 33 -3.975 -0.695 3.207 250 H GLU 34 H GLU 34 -8.410 -3.025 3.698 251 HA GLU 34 HA GLU 34 -8.265 -5.634 5.043 252 HB2 GLU 34 2HB GLU 34 -10.396 -3.521 5.330 253 HB3 GLU 34 3HB GLU 34 -10.679 -5.207 5.738 254 HG2 GLU 34 2HG GLU 34 -8.716 -5.030 7.304 255 HG3 GLU 34 3HG GLU 34 -8.766 -3.288 7.024 256 H ILE 35 H ILE 35 -8.478 -7.068 3.470 257 HA ILE 35 HA ILE 35 -10.281 -6.481 1.252 258 HB ILE 35 HB ILE 35 -8.387 -8.809 1.619 259 HG12 ILE 35 2HG1 ILE 35 -8.086 -6.319 -0.080 260 HG13 ILE 35 3HG1 ILE 35 -7.261 -6.588 1.451 261 HG21 ILE 35 1HG2 ILE 35 -10.229 -9.344 0.131 262 HG22 ILE 35 2HG2 ILE 35 -8.743 -9.153 -0.800 263 HG23 ILE 35 3HG2 ILE 35 -9.948 -7.864 -0.784 264 HD11 ILE 35 3HD1 ILE 35 -6.934 -8.251 -1.034 265 HD12 ILE 35 1HD1 ILE 35 -6.078 -8.480 0.492 266 HD13 ILE 35 2HD1 ILE 35 -5.814 -7.015 -0.456 267 H LYS 36 H LYS 36 -12.305 -7.125 1.385 268 HA LYS 36 HA LYS 36 -12.934 -9.433 3.104 269 HB2 LYS 36 2HB LYS 36 -14.695 -7.117 2.272 270 HB3 LYS 36 3HB LYS 36 -15.238 -8.497 3.215 271 HG2 LYS 36 2HG LYS 36 -13.610 -7.876 4.979 272 HG3 LYS 36 3HG LYS 36 -13.201 -6.435 4.045 273 HD2 LYS 36 2HD LYS 36 -15.456 -5.611 4.237 274 HD3 LYS 36 3HD LYS 36 -15.978 -7.104 5.014 275 HE2 LYS 36 2HE LYS 36 -15.725 -5.446 6.713 276 HE3 LYS 36 3HE LYS 36 -14.404 -6.598 6.884 277 HZ1 LYS 36 3HZ LYS 36 -13.719 -4.250 7.108 278 HZ2 LYS 36 1HZ LYS 36 -14.179 -3.970 5.500 279 HZ3 LYS 36 2HZ LYS 36 -12.912 -5.045 5.852 280 HA PRO 37 HA PRO 37 -14.193 -11.010 -0.960 281 HB2 PRO 37 2HB PRO 37 -12.612 -13.155 -1.040 282 HB3 PRO 37 3HB PRO 37 -11.956 -11.541 -1.340 283 HG2 PRO 37 2HG PRO 37 -11.645 -13.292 1.027 284 HG3 PRO 37 3HG PRO 37 -10.571 -12.025 0.419 285 HD2 PRO 37 2HD PRO 37 -12.523 -11.841 2.523 286 HD3 PRO 37 3HD PRO 37 -11.438 -10.572 1.920 287 H SER 38 H SER 38 -14.928 -13.342 -1.527 288 HA SER 38 HA SER 38 -16.813 -14.248 0.386 289 HB2 SER 38 2HB SER 38 -16.960 -14.534 -2.139 290 HB3 SER 38 3HB SER 38 -15.777 -15.831 -1.978 291 HG SER 38 HG SER 38 -18.199 -16.277 -1.917 292 H GLY 39 H GLY 39 -13.727 -15.596 -0.781 293 HA2 GLY 39 2HA GLY 39 -12.021 -16.396 0.580 294 HA3 GLY 39 3HA GLY 39 -13.113 -16.347 1.951 295 H ASN 40 H ASN 40 -13.650 -18.012 -1.126 296 HA ASN 40 HA ASN 40 -14.228 -20.473 0.190 297 HB2 ASN 40 2HB ASN 40 -13.839 -19.728 -2.701 298 HB3 ASN 40 3HB ASN 40 -14.035 -21.407 -2.215 299 HD21 ASN 40 1HD2 ASN 40 -15.950 -21.729 -3.212 300 HD22 ASN 40 2HD2 ASN 40 -17.423 -20.958 -2.740 301 H PHE 41 H PHE 41 -11.385 -19.052 -1.188 302 HA PHE 41 HA PHE 41 -9.919 -21.552 -1.179 303 HB2 PHE 41 2HB PHE 41 -8.984 -18.746 -1.814 304 HB3 PHE 41 3HB PHE 41 -8.067 -20.226 -2.083 305 HD1 PHE 41 HD2 PHE 41 -8.951 -21.914 -3.723 306 HD2 PHE 41 HD1 PHE 41 -10.523 -17.972 -3.404 307 HE1 PHE 41 HE2 PHE 41 -9.963 -22.140 -5.955 308 HE2 PHE 41 HE1 PHE 41 -11.537 -18.192 -5.632 309 HZ PHE 41 HZ PHE 41 -11.260 -20.276 -6.912 310 H ILE 42 H ILE 42 -9.049 -22.292 0.624 311 HA ILE 42 HA ILE 42 -8.538 -20.567 2.871 312 HB ILE 42 HB ILE 42 -9.365 -22.858 3.219 313 HG12 ILE 42 2HG1 ILE 42 -6.592 -22.431 4.357 314 HG13 ILE 42 3HG1 ILE 42 -8.073 -21.727 4.996 315 HG21 ILE 42 1HG2 ILE 42 -6.684 -23.714 2.137 316 HG22 ILE 42 2HG2 ILE 42 -8.259 -23.997 1.394 317 HG23 ILE 42 3HG2 ILE 42 -7.852 -24.778 2.922 318 HD11 ILE 42 3HD1 ILE 42 -7.429 -24.663 4.859 319 HD12 ILE 42 1HD1 ILE 42 -8.915 -23.960 5.498 320 HD13 ILE 42 2HD1 ILE 42 -7.376 -23.648 6.301 321 H GLY 43 H GLY 43 -6.679 -22.096 0.332 322 HA2 GLY 43 2HA GLY 43 -4.304 -20.652 1.292 323 HA3 GLY 43 3HA GLY 43 -4.184 -22.346 0.840 324 H THR 44 H THR 44 -4.266 -19.111 -0.253 325 HA THR 44 HA THR 44 -3.957 -20.076 -3.018 326 HB THR 44 HB THR 44 -6.012 -18.713 -2.729 327 HG1 THR 44 HG1 THR 44 -4.773 -16.925 -4.285 328 HG21 THR 44 3HG2 THR 44 -5.828 -16.310 -2.310 329 HG22 THR 44 1HG2 THR 44 -4.092 -16.480 -2.048 330 HG23 THR 44 2HG2 THR 44 -5.233 -17.239 -0.936 331 H VAL 45 H VAL 45 -2.566 -18.535 -0.367 332 HA VAL 45 HA VAL 45 -0.436 -17.879 0.034 333 HB VAL 45 HB VAL 45 0.061 -18.395 -2.898 334 HG11 VAL 45 1HG1 VAL 45 2.008 -17.850 -0.661 335 HG12 VAL 45 2HG1 VAL 45 1.666 -16.793 -2.031 336 HG13 VAL 45 3HG1 VAL 45 2.442 -18.354 -2.294 337 HG21 VAL 45 3HG2 VAL 45 1.144 -20.448 -2.120 338 HG22 VAL 45 1HG2 VAL 45 -0.552 -20.402 -1.640 339 HG23 VAL 45 2HG2 VAL 45 0.708 -20.051 -0.458 340 H TYR 46 H TYR 46 -1.757 -16.549 -2.963 341 HA TYR 46 HA TYR 46 -2.098 -14.415 -3.675 342 HB2 TYR 46 2HB TYR 46 -2.791 -14.324 -1.080 343 HB3 TYR 46 3HB TYR 46 -1.425 -13.218 -1.027 344 HD1 TYR 46 HD1 TYR 46 -4.809 -13.765 -2.320 345 HD2 TYR 46 HD2 TYR 46 -1.546 -11.044 -2.108 346 HE1 TYR 46 HE1 TYR 46 -6.271 -11.958 -3.124 347 HE2 TYR 46 HE2 TYR 46 -2.998 -9.229 -2.909 348 HH TYR 46 HH TYR 46 -5.107 -8.998 -4.231 349 H THR 47 H THR 47 -0.923 -12.123 -3.653 350 HA THR 47 HA THR 47 1.901 -12.253 -3.024 351 HB THR 47 HB THR 47 1.025 -11.792 -5.890 352 HG1 THR 47 HG1 THR 47 1.504 -14.079 -4.572 353 HG21 THR 47 3HG2 THR 47 3.002 -10.506 -5.285 354 HG22 THR 47 1HG2 THR 47 3.441 -11.829 -6.365 355 HG23 THR 47 2HG2 THR 47 3.768 -11.955 -4.636 356 H LEU 48 H LEU 48 2.595 -10.286 -2.409 357 HA LEU 48 HA LEU 48 1.023 -7.939 -3.260 358 HB2 LEU 48 2HB LEU 48 0.883 -8.328 -0.848 359 HB3 LEU 48 3HB LEU 48 2.632 -8.349 -0.732 360 HG LEU 48 HG LEU 48 2.704 -5.979 -1.388 361 HD11 LEU 48 1HD1 LEU 48 0.646 -4.671 -1.505 362 HD12 LEU 48 2HD1 LEU 48 -0.306 -6.142 -1.303 363 HD13 LEU 48 3HD1 LEU 48 0.676 -5.921 -2.752 364 HD21 LEU 48 3HD2 LEU 48 1.758 -5.063 0.680 365 HD22 LEU 48 1HD2 LEU 48 2.626 -6.571 0.977 366 HD23 LEU 48 2HD2 LEU 48 0.863 -6.563 0.930 367 H ARG 49 H ARG 49 2.063 -6.843 -4.783 368 HA ARG 49 HA ARG 49 5.008 -6.749 -4.660 369 HB2 ARG 49 2HB ARG 49 4.042 -7.954 -6.636 370 HB3 ARG 49 3HB ARG 49 3.268 -6.452 -7.121 371 HG2 ARG 49 2HG ARG 49 5.365 -5.410 -7.525 372 HG3 ARG 49 3HG ARG 49 6.240 -6.751 -6.786 373 HD2 ARG 49 2HD ARG 49 6.444 -7.011 -9.134 374 HD3 ARG 49 3HD ARG 49 5.291 -8.224 -8.583 375 HE ARG 49 HE ARG 49 4.512 -5.699 -9.898 376 HH11 ARG 49 1HH1 ARG 49 4.034 -9.121 -9.305 377 HH12 ARG 49 2HH1 ARG 49 2.728 -9.270 -10.442 378 HH21 ARG 49 1HH2 ARG 49 2.835 -5.889 -11.411 379 HH22 ARG 49 2HH2 ARG 49 2.055 -7.431 -11.657 380 H TYR 50 H TYR 50 5.756 -4.847 -4.064 381 HA TYR 50 HA TYR 50 4.084 -2.466 -4.465 382 HB2 TYR 50 2HB TYR 50 4.495 -2.685 -2.166 383 HB3 TYR 50 3HB TYR 50 6.153 -3.214 -2.416 384 HD1 TYR 50 HD1 TYR 50 3.975 -0.212 -2.904 385 HD2 TYR 50 HD2 TYR 50 7.872 -1.708 -2.087 386 HE1 TYR 50 HE1 TYR 50 4.772 2.084 -2.522 387 HE2 TYR 50 HE2 TYR 50 8.678 0.580 -1.702 388 HH TYR 50 HH TYR 50 6.565 3.253 -1.396 389 H PHE 51 H PHE 51 4.819 -0.753 -5.624 390 HA PHE 51 HA PHE 51 7.643 -0.793 -6.455 391 HB2 PHE 51 2HB PHE 51 6.217 -1.572 -8.323 392 HB3 PHE 51 3HB PHE 51 5.304 -0.070 -8.234 393 HD1 PHE 51 HD2 PHE 51 8.816 -1.263 -8.614 394 HD2 PHE 51 HD1 PHE 51 5.891 1.653 -9.644 395 HE1 PHE 51 HE2 PHE 51 10.417 -0.201 -10.152 396 HE2 PHE 51 HE1 PHE 51 7.488 2.716 -11.183 397 HZ PHE 51 HZ PHE 51 9.756 1.789 -11.440 398 H GLN 52 H GLN 52 8.676 1.145 -6.450 399 HA GLN 52 HA GLN 52 7.108 3.475 -5.581 400 HB2 GLN 52 2HB GLN 52 8.571 2.760 -3.805 401 HB3 GLN 52 3HB GLN 52 9.941 2.683 -4.901 402 HG2 GLN 52 2HG GLN 52 9.966 5.072 -5.128 403 HG3 GLN 52 3HG GLN 52 8.479 5.214 -4.192 404 HE21 GLN 52 1HE2 GLN 52 9.184 3.233 -2.255 405 HE22 GLN 52 2HE2 GLN 52 10.410 3.920 -1.247 406 HA PRO 53 HA PRO 53 8.718 4.812 -9.610 407 HB2 PRO 53 2HB PRO 53 6.415 6.573 -9.657 408 HB3 PRO 53 3HB PRO 53 6.779 5.201 -10.706 409 HG2 PRO 53 2HG PRO 53 4.742 5.201 -8.897 410 HG3 PRO 53 3HG PRO 53 5.591 3.733 -9.414 411 HD2 PRO 53 2HD PRO 53 5.957 5.357 -6.925 412 HD3 PRO 53 3HD PRO 53 5.924 3.590 -7.119 413 H ASP 54 H ASP 54 6.841 7.383 -8.029 414 HA ASP 54 HA ASP 54 9.300 9.006 -7.993 415 HB2 ASP 54 2HB ASP 54 7.501 9.773 -9.580 416 HB3 ASP 54 3HB ASP 54 6.469 10.055 -8.180 417 H GLY 55 H GLY 55 9.465 10.579 -6.247 418 HA2 GLY 55 2HA GLY 55 9.027 11.238 -4.007 419 HA3 GLY 55 3HA GLY 55 7.970 9.837 -3.834 420 H LYS 56 H LYS 56 9.357 9.648 -1.788 421 HA LYS 56 HA LYS 56 11.099 7.458 -2.258 422 HB2 LYS 56 2HB LYS 56 12.625 9.343 -2.868 423 HB3 LYS 56 3HB LYS 56 12.473 9.938 -1.220 424 HG2 LYS 56 2HG LYS 56 13.482 7.921 -0.353 425 HG3 LYS 56 3HG LYS 56 13.542 7.224 -1.973 426 HD2 LYS 56 2HD LYS 56 15.034 9.068 -2.671 427 HD3 LYS 56 3HD LYS 56 15.027 9.666 -1.010 428 HE2 LYS 56 2HE LYS 56 17.020 8.342 -1.431 429 HE3 LYS 56 3HE LYS 56 15.984 7.546 -0.248 430 HZ1 LYS 56 3HZ LYS 56 16.848 5.984 -1.876 431 HZ2 LYS 56 1HZ LYS 56 16.138 6.868 -3.138 432 HZ3 LYS 56 2HZ LYS 56 15.162 6.092 -1.990 433 H GLY 57 H GLY 57 11.098 6.177 -0.576 434 HA2 GLY 57 2HA GLY 57 11.401 6.807 2.090 435 HA3 GLY 57 3HA GLY 57 9.669 6.874 1.783 436 H SER 58 H SER 58 10.096 5.052 3.511 437 HA SER 58 HA SER 58 10.386 2.536 2.014 438 HB2 SER 58 2HB SER 58 11.039 1.534 4.254 439 HB3 SER 58 3HB SER 58 12.208 2.646 3.546 440 HG SER 58 HG SER 58 11.665 4.183 5.003 441 H LEU 59 H LEU 59 8.647 1.319 1.886 442 HA LEU 59 HA LEU 59 6.381 1.853 3.649 443 HB2 LEU 59 2HB LEU 59 6.006 1.694 1.199 444 HB3 LEU 59 3HB LEU 59 6.574 0.035 1.237 445 HG LEU 59 HG LEU 59 4.677 -0.595 2.660 446 HD11 LEU 59 1HD1 LEU 59 4.378 1.533 3.818 447 HD12 LEU 59 2HD1 LEU 59 2.871 0.980 3.083 448 HD13 LEU 59 3HD1 LEU 59 3.803 2.269 2.321 449 HD21 LEU 59 3HD2 LEU 59 3.838 0.916 0.190 450 HD22 LEU 59 1HD2 LEU 59 2.922 -0.357 0.995 451 HD23 LEU 59 2HD2 LEU 59 4.463 -0.733 0.224 452 H LYS 60 H LYS 60 6.468 0.821 5.515 453 HA LYS 60 HA LYS 60 7.781 -1.805 5.607 454 HB2 LYS 60 2HB LYS 60 7.176 0.117 7.862 455 HB3 LYS 60 3HB LYS 60 8.124 -1.360 7.977 456 HG2 LYS 60 2HG LYS 60 9.873 -0.446 6.664 457 HG3 LYS 60 3HG LYS 60 8.888 0.942 6.201 458 HD2 LYS 60 2HD LYS 60 10.277 1.820 7.837 459 HD3 LYS 60 3HD LYS 60 8.811 1.439 8.736 460 HE2 LYS 60 2HE LYS 60 11.272 -0.301 8.594 461 HE3 LYS 60 3HE LYS 60 10.879 0.789 9.921 462 HZ1 LYS 60 3HZ LYS 60 8.722 -0.557 10.069 463 HZ2 LYS 60 1HZ LYS 60 10.151 -1.273 10.642 464 HZ3 LYS 60 2HZ LYS 60 9.531 -1.714 9.131 465 H MET 61 H MET 61 6.757 -3.563 6.422 466 HA MET 61 HA MET 61 3.913 -3.609 6.514 467 HB2 MET 61 2HB MET 61 5.987 -5.627 7.404 468 HB3 MET 61 3HB MET 61 4.260 -5.945 7.387 469 HG2 MET 61 2HG MET 61 5.837 -5.173 4.948 470 HG3 MET 61 3HG MET 61 5.535 -6.839 5.438 471 HE1 MET 61 3HE MET 61 1.643 -7.097 5.123 472 HE2 MET 61 1HE MET 61 2.585 -6.723 6.567 473 HE3 MET 61 2HE MET 61 3.138 -7.974 5.453 474 H GLU 62 H GLU 62 2.621 -4.231 8.373 475 HA GLU 62 HA GLU 62 3.064 -2.838 10.756 476 HB2 GLU 62 2HB GLU 62 0.892 -3.815 9.856 477 HB3 GLU 62 3HB GLU 62 1.436 -5.369 10.473 478 HG2 GLU 62 2HG GLU 62 1.569 -4.323 12.737 479 HG3 GLU 62 3HG GLU 62 0.812 -2.889 12.049 480 H ASP 63 H ASP 63 4.122 -5.917 9.644 481 HA ASP 63 HA ASP 63 4.953 -7.036 12.118 482 HB2 ASP 63 2HB ASP 63 4.621 -8.571 10.378 483 HB3 ASP 63 3HB ASP 63 5.520 -7.599 9.222 484 H GLY 64 H GLY 64 6.444 -4.919 9.761 485 HA2 GLY 64 2HA GLY 64 8.172 -3.436 10.812 486 HA3 GLY 64 3HA GLY 64 8.911 -4.926 11.382 487 H THR 65 H THR 65 8.471 -6.454 9.051 488 HA THR 65 HA THR 65 10.755 -6.018 7.561 489 HB THR 65 HB THR 65 8.214 -7.372 6.621 490 HG1 THR 65 HG1 THR 65 8.764 -8.457 8.435 491 HG21 THR 65 3HG2 THR 65 9.695 -8.700 5.194 492 HG22 THR 65 1HG2 THR 65 11.087 -7.780 5.769 493 HG23 THR 65 2HG2 THR 65 9.835 -6.984 4.814 494 H VAL 66 H VAL 66 11.267 -4.890 5.733 495 HA VAL 66 HA VAL 66 9.381 -2.809 4.927 496 HB VAL 66 HB VAL 66 12.261 -3.192 4.093 497 HG11 VAL 66 1HG1 VAL 66 10.470 -0.771 3.931 498 HG12 VAL 66 2HG1 VAL 66 10.971 -1.780 2.573 499 HG13 VAL 66 3HG1 VAL 66 12.169 -0.838 3.461 500 HG21 VAL 66 3HG2 VAL 66 11.142 -1.443 6.278 501 HG22 VAL 66 1HG2 VAL 66 12.824 -1.499 5.754 502 HG23 VAL 66 2HG2 VAL 66 12.091 -2.911 6.515 503 H LEU 67 H LEU 67 8.473 -2.655 2.926 504 HA LEU 67 HA LEU 67 8.583 -4.992 1.232 505 HB2 LEU 67 2HB LEU 67 7.095 -2.389 0.874 506 HB3 LEU 67 3HB LEU 67 6.878 -3.830 -0.103 507 HG LEU 67 HG LEU 67 6.247 -3.575 2.840 508 HD11 LEU 67 1HD1 LEU 67 4.439 -3.859 0.448 509 HD12 LEU 67 2HD1 LEU 67 4.666 -2.396 1.406 510 HD13 LEU 67 3HD1 LEU 67 3.931 -3.826 2.136 511 HD21 LEU 67 3HD2 LEU 67 5.300 -5.815 2.630 512 HD22 LEU 67 1HD2 LEU 67 7.030 -5.817 2.285 513 HD23 LEU 67 2HD2 LEU 67 5.864 -5.905 0.961 514 H LYS 68 H LYS 68 9.823 -5.246 -0.492 515 HA LYS 68 HA LYS 68 11.601 -3.094 -1.277 516 HB2 LYS 68 2HB LYS 68 12.598 -5.253 -0.891 517 HB3 LYS 68 3HB LYS 68 11.478 -6.024 -2.002 518 HG2 LYS 68 2HG LYS 68 12.493 -4.899 -3.875 519 HG3 LYS 68 3HG LYS 68 13.551 -3.990 -2.794 520 HD2 LYS 68 2HD LYS 68 13.526 -6.997 -3.000 521 HD3 LYS 68 3HD LYS 68 14.630 -5.959 -3.901 522 HE2 LYS 68 2HE LYS 68 14.414 -6.119 -0.893 523 HE3 LYS 68 3HE LYS 68 15.678 -6.857 -1.875 524 HZ1 LYS 68 3HZ LYS 68 15.141 -3.953 -1.570 525 HZ2 LYS 68 1HZ LYS 68 16.267 -4.610 -2.654 526 HZ3 LYS 68 2HZ LYS 68 16.485 -4.806 -0.984 527 HA PRO 69 HA PRO 69 9.016 -1.866 -4.708 528 HB2 PRO 69 2HB PRO 69 11.588 -0.750 -5.679 529 HB3 PRO 69 3HB PRO 69 10.029 0.049 -5.452 530 HG2 PRO 69 2HG PRO 69 12.039 0.481 -3.755 531 HG3 PRO 69 3HG PRO 69 10.365 0.364 -3.182 532 HD2 PRO 69 2HD PRO 69 12.565 -1.653 -3.033 533 HD3 PRO 69 3HD PRO 69 11.304 -1.267 -1.844 534 H ASN 70 H ASN 70 8.536 -2.841 -6.539 535 HA ASN 70 HA ASN 70 8.676 -3.927 -8.525 536 HB2 ASN 70 2HB ASN 70 10.775 -2.823 -9.069 537 HB3 ASN 70 3HB ASN 70 11.667 -3.959 -8.063 538 HD21 ASN 70 1HD2 ASN 70 9.879 -3.552 -11.052 539 HD22 ASN 70 2HD2 ASN 70 10.485 -4.985 -11.816 540 H ASP 71 H ASP 71 10.062 -5.118 -5.617 541 HA ASP 71 HA ASP 71 9.924 -7.893 -6.508 542 HB2 ASP 71 2HB ASP 71 11.780 -6.848 -4.999 543 HB3 ASP 71 3HB ASP 71 10.594 -7.022 -3.709 544 H ARG 72 H ARG 72 9.104 -9.147 -4.141 545 HA ARG 72 HA ARG 72 6.485 -8.140 -3.520 546 HB2 ARG 72 2HB ARG 72 5.476 -10.405 -4.426 547 HB3 ARG 72 3HB ARG 72 5.607 -8.979 -5.436 548 HG2 ARG 72 2HG ARG 72 6.303 -10.792 -6.758 549 HG3 ARG 72 3HG ARG 72 7.767 -9.923 -6.315 550 HD2 ARG 72 2HD ARG 72 6.876 -12.232 -4.647 551 HD3 ARG 72 3HD ARG 72 7.661 -12.541 -6.193 552 HE ARG 72 HE ARG 72 9.032 -10.748 -4.351 553 HH11 ARG 72 1HH1 ARG 72 8.782 -13.950 -5.729 554 HH12 ARG 72 2HH1 ARG 72 10.361 -14.441 -5.198 555 HH21 ARG 72 1HH2 ARG 72 11.113 -11.324 -3.734 556 HH22 ARG 72 2HH2 ARG 72 11.716 -12.925 -4.083 557 H TYR 73 H TYR 73 5.229 -9.574 -2.136 558 HA TYR 73 HA TYR 73 6.840 -11.562 -0.684 559 HB2 TYR 73 2HB TYR 73 5.205 -9.311 0.492 560 HB3 TYR 73 3HB TYR 73 5.666 -10.730 1.423 561 HD1 TYR 73 HD1 TYR 73 6.904 -7.683 -0.229 562 HD2 TYR 73 HD2 TYR 73 7.924 -11.026 2.196 563 HE1 TYR 73 HE1 TYR 73 9.030 -6.598 0.365 564 HE2 TYR 73 HE2 TYR 73 10.056 -9.953 2.787 565 HH TYR 73 HH TYR 73 10.682 -6.709 2.287 566 H LEU 74 H LEU 74 5.541 -13.106 0.526 567 HA LEU 74 HA LEU 74 2.834 -13.450 -0.608 568 HB2 LEU 74 2HB LEU 74 4.636 -15.632 0.450 569 HB3 LEU 74 3HB LEU 74 3.132 -15.830 -0.427 570 HG LEU 74 HG LEU 74 5.733 -14.792 -1.557 571 HD11 LEU 74 1HD1 LEU 74 4.200 -17.337 -2.052 572 HD12 LEU 74 2HD1 LEU 74 5.733 -17.190 -1.188 573 HD13 LEU 74 3HD1 LEU 74 5.652 -16.829 -2.914 574 HD21 LEU 74 3HD2 LEU 74 3.080 -15.219 -2.923 575 HD22 LEU 74 1HD2 LEU 74 4.592 -14.770 -3.711 576 HD23 LEU 74 2HD2 LEU 74 3.825 -13.659 -2.576 577 H LEU 75 H LEU 75 1.149 -13.948 0.843 578 HA LEU 75 HA LEU 75 1.797 -14.026 3.682 579 HB2 LEU 75 2HB LEU 75 0.535 -12.080 4.271 580 HB3 LEU 75 3HB LEU 75 1.743 -11.627 3.092 581 HG LEU 75 HG LEU 75 -1.165 -12.090 2.409 582 HD11 LEU 75 1HD1 LEU 75 0.297 -9.512 2.961 583 HD12 LEU 75 2HD1 LEU 75 -0.958 -10.234 3.968 584 HD13 LEU 75 3HD1 LEU 75 -1.353 -9.651 2.351 585 HD21 LEU 75 3HD2 LEU 75 0.354 -12.324 0.509 586 HD22 LEU 75 1HD2 LEU 75 1.075 -10.758 0.882 587 HD23 LEU 75 2HD2 LEU 75 -0.608 -10.853 0.367 588 H ASN 76 H ASN 76 -0.452 -13.843 4.941 589 HA ASN 76 HA ASN 76 -2.374 -15.591 3.534 590 HB2 ASN 76 2HB ASN 76 -0.879 -16.713 5.311 591 HB3 ASN 76 3HB ASN 76 -1.797 -15.793 6.493 592 HD21 ASN 76 1HD2 ASN 76 -4.323 -16.061 4.974 593 HD22 ASN 76 2HD2 ASN 76 -4.833 -17.700 5.215 594 H GLU 77 H GLU 77 -1.785 -12.943 5.703 595 HA GLU 77 HA GLU 77 -4.494 -12.666 6.578 596 HB2 GLU 77 2HB GLU 77 -3.679 -10.396 7.382 597 HB3 GLU 77 3HB GLU 77 -2.889 -11.803 8.071 598 HG2 GLU 77 2HG GLU 77 -1.664 -10.492 5.697 599 HG3 GLU 77 3HG GLU 77 -1.510 -9.727 7.277 600 H TRP 78 H TRP 78 -6.108 -11.531 5.740 601 HA TRP 78 HA TRP 78 -5.700 -10.218 3.161 602 HB2 TRP 78 2HB TRP 78 -8.231 -10.934 4.663 603 HB3 TRP 78 3HB TRP 78 -8.193 -10.170 3.079 604 HD1 TRP 78 HD1 TRP 78 -7.437 -13.524 4.796 605 HE1 TRP 78 HE1 TRP 78 -7.439 -15.370 3.001 606 HE3 TRP 78 HE3 TRP 78 -7.888 -10.604 0.628 607 HZ2 TRP 78 HZ2 TRP 78 -7.608 -15.560 0.192 608 HZ3 TRP 78 HZ3 TRP 78 -7.966 -11.695 -1.574 609 HH2 TRP 78 HH2 TRP 78 -7.828 -14.123 -1.786 610 H LYS 79 H LYS 79 -6.003 -9.505 6.442 611 HA LYS 79 HA LYS 79 -6.503 -6.663 5.838 612 HB2 LYS 79 2HB LYS 79 -7.179 -8.122 8.403 613 HB3 LYS 79 3HB LYS 79 -7.509 -6.432 8.049 614 HG2 LYS 79 2HG LYS 79 -9.064 -7.090 6.293 615 HG3 LYS 79 3HG LYS 79 -8.719 -8.792 6.618 616 HD2 LYS 79 2HD LYS 79 -9.562 -8.515 8.905 617 HD3 LYS 79 3HD LYS 79 -9.926 -6.822 8.557 618 HE2 LYS 79 2HE LYS 79 -11.492 -7.523 6.815 619 HE3 LYS 79 3HE LYS 79 -11.120 -9.213 7.154 620 HZ1 LYS 79 3HZ LYS 79 -13.171 -8.520 8.229 621 HZ2 LYS 79 1HZ LYS 79 -12.347 -7.296 9.067 622 HZ3 LYS 79 2HZ LYS 79 -11.999 -8.922 9.386 623 H PHE 80 H PHE 80 -4.861 -5.342 6.360 624 HA PHE 80 HA PHE 80 -3.070 -5.904 8.534 625 HB2 PHE 80 2HB PHE 80 -1.017 -6.025 7.110 626 HB3 PHE 80 3HB PHE 80 -2.066 -7.427 6.957 627 HD1 PHE 80 HD2 PHE 80 -3.316 -7.825 4.891 628 HD2 PHE 80 HD1 PHE 80 -0.667 -4.513 5.269 629 HE1 PHE 80 HE2 PHE 80 -3.341 -7.528 2.447 630 HE2 PHE 80 HE1 PHE 80 -0.687 -4.213 2.827 631 HZ PHE 80 HZ PHE 80 -2.025 -5.721 1.414 632 H ARG 81 H ARG 81 -1.388 -4.239 8.748 633 HA ARG 81 HA ARG 81 -2.268 -1.690 7.572 634 HB2 ARG 81 2HB ARG 81 -1.058 -2.360 10.247 635 HB3 ARG 81 3HB ARG 81 -1.096 -0.716 9.627 636 HG2 ARG 81 2HG ARG 81 -3.489 -0.723 9.581 637 HG3 ARG 81 3HG ARG 81 -3.534 -2.439 9.989 638 HD2 ARG 81 2HD ARG 81 -2.367 -0.299 11.761 639 HD3 ARG 81 3HD ARG 81 -4.016 -0.905 11.898 640 HE ARG 81 HE ARG 81 -2.189 -3.062 11.980 641 HH11 ARG 81 1HH1 ARG 81 -3.239 -0.334 13.922 642 HH12 ARG 81 2HH1 ARG 81 -2.967 -1.144 15.437 643 HH21 ARG 81 1HH2 ARG 81 -1.788 -4.114 13.960 644 HH22 ARG 81 2HH2 ARG 81 -2.106 -3.281 15.460 645 H LEU 82 H LEU 82 -0.838 -0.468 6.483 646 HA LEU 82 HA LEU 82 1.974 -1.364 6.423 647 HB2 LEU 82 2HB LEU 82 0.395 0.188 4.362 648 HB3 LEU 82 3HB LEU 82 2.089 -0.232 4.222 649 HG LEU 82 HG LEU 82 -0.185 -2.214 4.326 650 HD11 LEU 82 1HD1 LEU 82 -0.192 -0.917 2.263 651 HD12 LEU 82 2HD1 LEU 82 0.315 -2.579 1.964 652 HD13 LEU 82 3HD1 LEU 82 1.515 -1.286 2.015 653 HD21 LEU 82 3HD2 LEU 82 2.756 -2.604 3.785 654 HD22 LEU 82 1HD2 LEU 82 1.512 -3.854 3.737 655 HD23 LEU 82 2HD2 LEU 82 1.914 -3.067 5.264 656 H TYR 83 H TYR 83 3.575 0.107 6.867 657 HA TYR 83 HA TYR 83 2.667 2.826 7.535 658 HB2 TYR 83 2HB TYR 83 4.640 1.028 8.897 659 HB3 TYR 83 3HB TYR 83 4.808 2.776 9.034 660 HD1 TYR 83 HD2 TYR 83 2.651 -0.106 9.838 661 HD2 TYR 83 HD1 TYR 83 3.288 4.073 10.335 662 HE1 TYR 83 HE2 TYR 83 0.962 -0.065 11.626 663 HE2 TYR 83 HE1 TYR 83 1.599 4.126 12.115 664 HH TYR 83 HH TYR 83 -0.331 2.860 12.847 665 H TYR 84 H TYR 84 3.200 4.121 5.955 666 HA TYR 84 HA TYR 84 5.681 3.672 4.474 667 HB2 TYR 84 2HB TYR 84 3.624 3.992 3.161 668 HB3 TYR 84 3HB TYR 84 3.372 5.555 3.927 669 HD1 TYR 84 HD1 TYR 84 6.123 3.796 2.089 670 HD2 TYR 84 HD2 TYR 84 3.914 7.390 2.647 671 HE1 TYR 84 HE1 TYR 84 7.421 4.864 0.297 672 HE2 TYR 84 HE2 TYR 84 5.210 8.471 0.856 673 HH TYR 84 HH TYR 84 7.315 8.248 -0.313 674 H THR 85 H THR 85 7.422 4.637 5.256 675 HA THR 85 HA THR 85 7.128 7.274 6.511 676 HB THR 85 HB THR 85 9.577 5.500 6.448 677 HG1 THR 85 HG1 THR 85 7.519 4.840 7.666 678 HG21 THR 85 3HG2 THR 85 10.024 7.911 6.791 679 HG22 THR 85 1HG2 THR 85 10.400 6.955 8.225 680 HG23 THR 85 2HG2 THR 85 8.916 7.905 8.164 681 H SER 86 H SER 86 7.191 8.823 5.040 682 HA SER 86 HA SER 86 8.991 8.602 2.753 683 HB2 SER 86 2HB SER 86 7.693 10.714 2.062 684 HB3 SER 86 3HB SER 86 6.801 9.195 2.093 685 HG SER 86 HG SER 86 6.763 11.306 3.975 686 H GLN 87 H GLN 87 10.026 10.822 2.120 687 HA GLN 87 HA GLN 87 10.702 12.553 4.269 688 HB2 GLN 87 2HB GLN 87 13.114 11.987 4.430 689 HB3 GLN 87 3HB GLN 87 12.043 10.761 5.089 690 HG2 GLN 87 2HG GLN 87 12.348 9.404 3.098 691 HG3 GLN 87 3HG GLN 87 13.379 10.649 2.395 692 HE21 GLN 87 1HE2 GLN 87 13.451 9.868 5.792 693 HE22 GLN 87 2HE2 GLN 87 15.017 9.126 5.792 694 H SER 88 H SER 88 11.855 11.290 1.133 695 HA SER 88 HA SER 88 12.907 13.975 0.540 696 HB2 SER 88 2HB SER 88 14.495 12.048 0.415 697 HB3 SER 88 3HB SER 88 13.511 11.368 -0.879 698 HG SER 88 HG SER 88 13.936 13.756 -1.697 699 H ASP 89 H ASP 89 10.106 12.875 0.330 700 HA ASP 89 HA ASP 89 9.452 12.847 -2.442 701 HB2 ASP 89 2HB ASP 89 7.569 13.407 -0.153 702 HB3 ASP 89 3HB ASP 89 7.189 12.692 -1.720 703 H LYS 90 H LYS 90 8.844 14.497 -3.752 704 HA LYS 90 HA LYS 90 9.653 17.109 -2.940 705 HB2 LYS 90 2HB LYS 90 9.916 16.219 -5.258 706 HB3 LYS 90 3HB LYS 90 8.172 16.311 -5.456 707 HG2 LYS 90 2HG LYS 90 9.319 18.212 -6.481 708 HG3 LYS 90 3HG LYS 90 8.241 18.721 -5.178 709 HD2 LYS 90 2HD LYS 90 10.130 18.908 -3.663 710 HD3 LYS 90 3HD LYS 90 11.220 18.326 -4.921 711 HE2 LYS 90 2HE LYS 90 11.329 20.757 -4.694 712 HE3 LYS 90 3HE LYS 90 10.729 20.278 -6.280 713 HZ1 LYS 90 3HZ LYS 90 9.524 22.152 -5.153 714 HZ2 LYS 90 1HZ LYS 90 8.923 21.015 -4.046 715 HZ3 LYS 90 2HZ LYS 90 8.546 20.879 -5.698 716 H GLU 91 H GLU 91 6.516 16.043 -4.272 717 HA GLU 91 HA GLU 91 5.120 17.395 -2.142 718 HB2 GLU 91 2HB GLU 91 3.805 18.847 -3.664 719 HB3 GLU 91 3HB GLU 91 5.505 19.288 -3.585 720 HG2 GLU 91 2HG GLU 91 5.904 18.186 -5.716 721 HG3 GLU 91 3HG GLU 91 4.213 17.695 -5.790 722 H ALA 92 H ALA 92 4.675 16.023 -5.404 723 HA ALA 92 HA ALA 92 2.318 14.602 -4.352 724 HB1 ALA 92 3HB ALA 92 2.811 15.480 -7.200 725 HB2 ALA 92 1HB ALA 92 1.752 16.302 -6.051 726 HB3 ALA 92 2HB ALA 92 1.372 14.664 -6.587 727 H GLN 93 H GLN 93 3.043 12.604 -3.892 728 HA GLN 93 HA GLN 93 4.746 11.333 -5.941 729 HB2 GLN 93 2HB GLN 93 5.971 10.147 -4.290 730 HB3 GLN 93 3HB GLN 93 5.932 11.825 -3.784 731 HG2 GLN 93 2HG GLN 93 3.933 9.896 -2.694 732 HG3 GLN 93 3HG GLN 93 5.574 9.925 -2.059 733 HE21 GLN 93 1HE2 GLN 93 5.062 10.635 -0.067 734 HE22 GLN 93 2HE2 GLN 93 4.443 12.212 0.266 735 H THR 94 H THR 94 4.478 9.103 -6.301 736 HA THR 94 HA THR 94 1.794 8.137 -5.572 737 HB THR 94 HB THR 94 3.228 7.575 -8.170 738 HG1 THR 94 HG1 THR 94 1.032 9.363 -7.955 739 HG21 THR 94 3HG2 THR 94 0.345 7.243 -7.334 740 HG22 THR 94 1HG2 THR 94 1.519 5.944 -7.535 741 HG23 THR 94 2HG2 THR 94 0.999 6.886 -8.932 742 H ILE 95 H ILE 95 1.744 6.149 -4.661 743 HA ILE 95 HA ILE 95 4.084 4.418 -5.101 744 HB ILE 95 HB ILE 95 3.468 3.234 -3.003 745 HG12 ILE 95 2HG1 ILE 95 2.068 5.036 -1.503 746 HG13 ILE 95 3HG1 ILE 95 1.263 5.186 -3.061 747 HG21 ILE 95 1HG2 ILE 95 4.069 6.173 -2.694 748 HG22 ILE 95 2HG2 ILE 95 5.242 4.901 -3.041 749 HG23 ILE 95 3HG2 ILE 95 4.391 4.918 -1.496 750 HD11 ILE 95 3HD1 ILE 95 0.156 3.565 -1.626 751 HD12 ILE 95 1HD1 ILE 95 1.647 2.630 -1.519 752 HD13 ILE 95 2HD1 ILE 95 0.818 2.794 -3.068 753 H ASP 96 H ASP 96 3.775 2.339 -5.756 754 HA ASP 96 HA ASP 96 1.091 1.791 -6.826 755 HB2 ASP 96 2HB ASP 96 3.792 1.525 -7.908 756 HB3 ASP 96 3HB ASP 96 2.839 0.061 -8.101 757 H LEU 97 H LEU 97 -0.019 0.329 -5.733 758 HA LEU 97 HA LEU 97 1.429 -1.898 -4.463 759 HB2 LEU 97 2HB LEU 97 -1.340 -0.827 -3.887 760 HB3 LEU 97 3HB LEU 97 -0.606 -2.209 -3.095 761 HG LEU 97 HG LEU 97 0.386 0.639 -2.927 762 HD11 LEU 97 1HD1 LEU 97 -1.681 0.333 -1.702 763 HD12 LEU 97 2HD1 LEU 97 -0.331 0.468 -0.575 764 HD13 LEU 97 3HD1 LEU 97 -1.036 -1.111 -0.923 765 HD21 LEU 97 3HD2 LEU 97 1.337 -1.865 -1.539 766 HD22 LEU 97 1HD2 LEU 97 1.924 -0.230 -1.239 767 HD23 LEU 97 2HD2 LEU 97 2.201 -0.991 -2.806 768 H TYR 98 H TYR 98 1.504 -3.536 -5.849 769 HA TYR 98 HA TYR 98 -0.834 -4.114 -7.508 770 HB2 TYR 98 2HB TYR 98 1.956 -5.286 -7.593 771 HB3 TYR 98 3HB TYR 98 0.655 -5.678 -8.710 772 HD1 TYR 98 HD1 TYR 98 -0.310 -3.756 -10.108 773 HD2 TYR 98 HD2 TYR 98 3.394 -3.505 -8.033 774 HE1 TYR 98 HE1 TYR 98 0.363 -1.886 -11.553 775 HE2 TYR 98 HE2 TYR 98 4.076 -1.628 -9.468 776 HH TYR 98 HH TYR 98 1.968 0.103 -11.336 777 H PHE 99 H PHE 99 -2.282 -5.176 -6.250 778 HA PHE 99 HA PHE 99 -1.445 -7.408 -4.606 779 HB2 PHE 99 2HB PHE 99 -4.177 -6.315 -5.315 780 HB3 PHE 99 3HB PHE 99 -3.924 -7.699 -4.259 781 HD1 PHE 99 HD1 PHE 99 -3.432 -4.061 -4.609 782 HD2 PHE 99 HD2 PHE 99 -3.237 -7.424 -2.001 783 HE1 PHE 99 HE1 PHE 99 -3.197 -2.552 -2.681 784 HE2 PHE 99 HE2 PHE 99 -3.006 -5.918 -0.071 785 HZ PHE 99 HZ PHE 99 -2.985 -3.479 -0.411 786 H GLU 100 H GLU 100 -1.011 -9.305 -5.480 787 HA GLU 100 HA GLU 100 -2.287 -9.973 -8.051 788 HB2 GLU 100 2HB GLU 100 0.144 -9.354 -8.165 789 HB3 GLU 100 3HB GLU 100 0.495 -10.733 -7.137 790 HG2 GLU 100 2HG GLU 100 -0.295 -12.250 -8.831 791 HG3 GLU 100 3HG GLU 100 -0.807 -10.901 -9.845 792 H ASP 101 H ASP 101 -2.862 -12.152 -8.378 793 HA ASP 101 HA ASP 101 -2.453 -14.069 -6.257 794 HB2 ASP 101 2HB ASP 101 -4.328 -12.798 -5.337 795 HB3 ASP 101 3HB ASP 101 -5.231 -13.008 -6.835 796 H ASN 102 H ASN 102 -3.385 -16.190 -6.806 797 HA ASN 102 HA ASN 102 -2.890 -16.797 -9.544 798 HB2 ASN 102 2HB ASN 102 -4.056 -18.536 -7.355 799 HB3 ASN 102 3HB ASN 102 -3.514 -19.113 -8.924 800 HD21 ASN 102 1HD2 ASN 102 -2.584 -18.056 -5.785 801 HD22 ASN 102 2HD2 ASN 102 -0.897 -18.403 -5.939 802 H TRP 103 H TRP 103 -5.769 -16.290 -7.619 803 HA TRP 103 HA TRP 103 -7.426 -17.071 -9.921 804 HB2 TRP 103 2HB TRP 103 -8.341 -16.681 -7.069 805 HB3 TRP 103 3HB TRP 103 -9.221 -17.463 -8.380 806 HD1 TRP 103 HD1 TRP 103 -7.180 -18.290 -5.455 807 HE1 TRP 103 HE1 TRP 103 -6.365 -20.734 -5.540 808 HE3 TRP 103 HE3 TRP 103 -8.233 -19.323 -10.351 809 HZ2 TRP 103 HZ2 TRP 103 -6.190 -22.815 -7.439 810 HZ3 TRP 103 HZ3 TRP 103 -7.709 -21.560 -11.227 811 HH2 TRP 103 HH2 TRP 103 -6.707 -23.272 -9.799 812 H GLY 104 H GLY 104 -6.791 -14.515 -7.592 813 HA2 GLY 104 2HA GLY 104 -8.838 -12.773 -8.656 814 HA3 GLY 104 3HA GLY 104 -7.635 -12.357 -7.445 815 H ASN 105 H ASN 105 -5.843 -13.672 -9.748 816 HA ASN 105 HA ASN 105 -4.493 -12.971 -11.411 817 HB2 ASN 105 2HB ASN 105 -6.803 -11.111 -11.988 818 HB3 ASN 105 3HB ASN 105 -5.382 -11.247 -13.018 819 HD21 ASN 105 1HD2 ASN 105 -8.229 -11.845 -13.494 820 HD22 ASN 105 2HD2 ASN 105 -8.266 -13.492 -14.041 821 H LEU 106 H LEU 106 -5.668 -9.697 -11.292 822 HA LEU 106 HA LEU 106 -3.513 -8.846 -9.553 823 HB2 LEU 106 2HB LEU 106 -2.359 -9.062 -11.682 824 HB3 LEU 106 3HB LEU 106 -3.582 -8.087 -12.476 825 HG LEU 106 HG LEU 106 -2.894 -6.172 -10.998 826 HD11 LEU 106 1HD1 LEU 106 -1.845 -7.427 -9.214 827 HD12 LEU 106 2HD1 LEU 106 -0.688 -6.309 -9.937 828 HD13 LEU 106 3HD1 LEU 106 -0.617 -8.027 -10.329 829 HD21 LEU 106 3HD2 LEU 106 -0.809 -7.351 -12.827 830 HD22 LEU 106 1HD2 LEU 106 -0.869 -5.672 -12.286 831 HD23 LEU 106 2HD2 LEU 106 -2.160 -6.318 -13.301 832 H GLN 107 H GLN 107 -4.186 -7.200 -8.379 833 HA GLN 107 HA GLN 107 -6.094 -5.289 -9.563 834 HB2 GLN 107 2HB GLN 107 -5.957 -6.100 -6.649 835 HB3 GLN 107 3HB GLN 107 -7.109 -4.989 -7.371 836 HG2 GLN 107 2HG GLN 107 -6.905 -7.936 -7.956 837 HG3 GLN 107 3HG GLN 107 -8.101 -7.170 -6.912 838 HE21 GLN 107 1HE2 GLN 107 -8.475 -8.778 -9.312 839 HE22 GLN 107 2HE2 GLN 107 -9.369 -7.792 -10.415 840 H GLN 108 H GLN 108 -4.991 -3.457 -9.905 841 HA GLN 108 HA GLN 108 -2.691 -2.873 -8.197 842 HB2 GLN 108 2HB GLN 108 -1.938 -1.354 -9.936 843 HB3 GLN 108 3HB GLN 108 -2.296 -2.924 -10.633 844 HG2 GLN 108 2HG GLN 108 -4.167 -0.565 -10.740 845 HG3 GLN 108 3HG GLN 108 -3.018 -0.982 -12.010 846 HE21 GLN 108 1HE2 GLN 108 -5.938 -0.823 -12.043 847 HE22 GLN 108 2HE2 GLN 108 -6.491 -2.372 -12.583 848 H LEU 109 H LEU 109 -2.695 -1.307 -6.754 849 HA LEU 109 HA LEU 109 -4.801 0.751 -6.917 850 HB2 LEU 109 2HB LEU 109 -3.585 -0.493 -4.448 851 HB3 LEU 109 3HB LEU 109 -4.713 0.848 -4.441 852 HG LEU 109 HG LEU 109 -5.321 -1.948 -5.404 853 HD11 LEU 109 1HD1 LEU 109 -6.186 -0.470 -2.923 854 HD12 LEU 109 2HD1 LEU 109 -5.062 -1.829 -2.988 855 HD13 LEU 109 3HD1 LEU 109 -6.756 -2.060 -3.426 856 HD21 LEU 109 3HD2 LEU 109 -7.133 0.443 -5.093 857 HD22 LEU 109 1HD2 LEU 109 -7.620 -1.180 -5.581 858 HD23 LEU 109 2HD2 LEU 109 -6.569 -0.221 -6.625 859 H THR 110 H THR 110 -4.003 2.712 -7.249 860 HA THR 110 HA THR 110 -1.222 3.235 -6.469 861 HB THR 110 HB THR 110 -1.401 5.193 -8.046 862 HG1 THR 110 HG1 THR 110 -3.310 5.609 -8.849 863 HG21 THR 110 3HG2 THR 110 -0.298 3.115 -8.696 864 HG22 THR 110 1HG2 THR 110 -1.151 3.830 -10.064 865 HG23 THR 110 2HG2 THR 110 -1.846 2.448 -9.217 866 H TYR 111 H TYR 111 -0.893 4.470 -4.756 867 HA TYR 111 HA TYR 111 -3.043 6.299 -3.928 868 HB2 TYR 111 2HB TYR 111 -0.853 4.967 -2.334 869 HB3 TYR 111 3HB TYR 111 -1.820 6.293 -1.701 870 HD1 TYR 111 HD1 TYR 111 -4.229 5.983 -1.288 871 HD2 TYR 111 HD2 TYR 111 -1.757 2.746 -2.520 872 HE1 TYR 111 HE1 TYR 111 -5.962 4.397 -0.565 873 HE2 TYR 111 HE2 TYR 111 -3.487 1.150 -1.808 874 HH TYR 111 HH TYR 111 -6.651 2.032 -1.137 875 H ASP 112 H ASP 112 -2.716 8.253 -4.662 876 HA ASP 112 HA ASP 112 -0.004 9.311 -4.931 877 HB2 ASP 112 2HB ASP 112 -2.679 10.489 -5.734 878 HB3 ASP 112 3HB ASP 112 -1.116 11.233 -6.043 879 H PHE 113 H PHE 113 0.856 10.657 -3.477 880 HA PHE 113 HA PHE 113 -0.896 11.612 -1.331 881 HB2 PHE 113 2HB PHE 113 2.108 11.340 -1.480 882 HB3 PHE 113 3HB PHE 113 1.265 12.105 -0.136 883 HD1 PHE 113 HD2 PHE 113 -0.289 10.761 1.261 884 HD2 PHE 113 HD1 PHE 113 2.251 8.988 -1.662 885 HE1 PHE 113 HE2 PHE 113 -0.605 8.563 2.323 886 HE2 PHE 113 HE1 PHE 113 1.940 6.789 -0.603 887 HZ PHE 113 HZ PHE 113 0.510 6.574 1.394 888 H ASN 114 H ASN 114 -1.212 13.647 -0.880 889 HA ASN 114 HA ASN 114 -1.494 15.851 -1.144 890 HB2 ASN 114 2HB ASN 114 1.153 15.760 -2.602 891 HB3 ASN 114 3HB ASN 114 0.282 17.240 -2.211 892 HD21 ASN 114 1HD2 ASN 114 2.237 14.667 -1.011 893 HD22 ASN 114 2HD2 ASN 114 2.483 15.317 0.576 894 H GLY 115 H GLY 115 0.104 15.265 -4.261 895 HA2 GLY 115 2HA GLY 115 -0.799 15.017 -6.371 896 HA3 GLY 115 3HA GLY 115 -2.386 14.889 -5.634 897 H LYS 116 H LYS 116 -2.830 17.220 -4.458 898 HA LYS 116 HA LYS 116 -3.664 18.886 -6.487 899 HB2 LYS 116 2HB LYS 116 -3.882 20.621 -4.611 900 HB3 LYS 116 3HB LYS 116 -4.763 19.111 -4.441 901 HG2 LYS 116 2HG LYS 116 -2.560 18.408 -3.139 902 HG3 LYS 116 3HG LYS 116 -2.459 20.152 -2.895 903 HD2 LYS 116 2HD LYS 116 -4.686 20.178 -1.927 904 HD3 LYS 116 3HD LYS 116 -4.868 18.453 -2.247 905 HE2 LYS 116 2HE LYS 116 -2.879 18.069 -0.770 906 HE3 LYS 116 3HE LYS 116 -2.951 19.777 -0.338 907 HZ1 LYS 116 3HZ LYS 116 -4.132 18.698 1.341 908 HZ2 LYS 116 1HZ LYS 116 -4.911 17.639 0.262 909 HZ3 LYS 116 2HZ LYS 116 -5.350 19.277 0.313 910 H LEU 117 H LEU 117 -2.919 20.628 -7.541 911 HA LEU 117 HA LEU 117 0.005 20.850 -7.476 912 HB2 LEU 117 2HB LEU 117 -1.951 21.532 -9.670 913 HB3 LEU 117 3HB LEU 117 -0.212 21.682 -9.792 914 HG LEU 117 HG LEU 117 -0.214 19.118 -9.286 915 HD11 LEU 117 1HD1 LEU 117 -2.203 17.983 -10.203 916 HD12 LEU 117 2HD1 LEU 117 -3.025 19.541 -10.295 917 HD13 LEU 117 3HD1 LEU 117 -2.552 18.883 -8.728 918 HD21 LEU 117 3HD2 LEU 117 -0.377 18.660 -11.680 919 HD22 LEU 117 1HD2 LEU 117 0.533 20.138 -11.369 920 HD23 LEU 117 2HD2 LEU 117 -1.135 20.231 -11.932 921 H GLU 118 H GLU 118 -2.180 22.514 -5.958 922 HA GLU 118 HA GLU 118 -1.752 25.162 -6.942 923 HB2 GLU 118 2HB GLU 118 -2.990 24.057 -4.443 924 HB3 GLU 118 3HB GLU 118 -2.641 25.777 -4.576 925 HG2 GLU 118 2HG GLU 118 -4.368 24.191 -6.461 926 HG3 GLU 118 3HG GLU 118 -4.948 25.253 -5.180 927 H HIS 119 H HIS 119 0.335 25.669 -7.082 928 HA HIS 119 HA HIS 119 2.134 25.262 -4.829 929 HB2 HIS 119 2HB HIS 119 2.553 26.433 -7.587 930 HB3 HIS 119 3HB HIS 119 3.816 26.345 -6.366 931 HD1 HIS 119 HD1 HIS 119 2.147 24.387 -8.979 932 HD2 HIS 119 HD2 HIS 119 4.589 23.658 -5.694 933 HE1 HIS 119 HE1 HIS 119 3.027 22.058 -9.293 934 HE2 HIS 119 HE2 HIS 119 4.354 21.573 -7.205 935 H HIS 120 H HIS 120 0.071 27.646 -6.089 936 HA HIS 120 HA HIS 120 1.291 29.663 -4.329 937 HB2 HIS 120 2HB HIS 120 0.666 31.416 -5.923 938 HB3 HIS 120 3HB HIS 120 1.736 30.247 -6.682 939 HD1 HIS 120 HD1 HIS 120 1.039 29.643 -8.974 940 HD2 HIS 120 HD2 HIS 120 -2.218 30.694 -6.606 941 HE1 HIS 120 HE1 HIS 120 -0.974 29.504 -10.478 942 HE2 HIS 120 HE2 HIS 120 -2.943 29.911 -8.959 943 H HIS 121 H HIS 121 -0.264 31.357 -3.661 944 HA HIS 121 HA HIS 121 -3.022 30.333 -3.564 945 HB2 HIS 121 2HB HIS 121 -1.484 31.951 -1.524 946 HB3 HIS 121 3HB HIS 121 -3.234 31.773 -1.474 947 HD1 HIS 121 HD1 HIS 121 -4.023 29.919 -0.043 948 HD2 HIS 121 HD2 HIS 121 -0.173 29.240 -1.471 949 HE1 HIS 121 HE1 HIS 121 -3.280 27.750 0.997 950 HE2 HIS 121 HE2 HIS 121 -0.885 27.455 0.267 951 H HIS 122 H HIS 122 -4.111 31.377 -5.089 952 HA HIS 122 HA HIS 122 -3.221 33.755 -6.282 953 HB2 HIS 122 2HB HIS 122 -5.223 33.723 -7.604 954 HB3 HIS 122 3HB HIS 122 -4.673 32.067 -7.398 955 HD1 HIS 122 HD1 HIS 122 -6.141 30.518 -5.849 956 HD2 HIS 122 HD2 HIS 122 -7.747 34.281 -6.621 957 HE1 HIS 122 HE1 HIS 122 -8.562 30.378 -5.181 958 HE2 HIS 122 HE2 HIS 122 -9.549 32.610 -5.813 959 H HIS 123 H HIS 123 -5.443 33.219 -3.647 960 HA HIS 123 HA HIS 123 -5.108 35.821 -2.650 961 HB2 HIS 123 2HB HIS 123 -6.656 36.363 -4.559 962 HB3 HIS 123 3HB HIS 123 -7.864 35.324 -3.810 963 HD1 HIS 123 HD1 HIS 123 -9.229 36.295 -1.910 964 HD2 HIS 123 HD2 HIS 123 -6.100 38.763 -3.107 965 HE1 HIS 123 HE1 HIS 123 -9.584 38.482 -0.707 966 HE2 HIS 123 HE2 HIS 123 -7.719 39.983 -1.502 967 H HIS 124 H HIS 124 -5.670 35.849 -0.528 968 HA HIS 124 HA HIS 124 -7.331 33.629 0.426 969 HB2 HIS 124 2HB HIS 124 -5.979 33.534 2.486 970 HB3 HIS 124 3HB HIS 124 -5.042 33.151 1.053 971 HD1 HIS 124 HD1 HIS 124 -3.838 34.074 3.793 972 HD2 HIS 124 HD2 HIS 124 -4.461 36.520 0.486 973 HE1 HIS 124 HE1 HIS 124 -2.230 35.992 4.055 974 HE2 HIS 124 HE2 HIS 124 -2.732 37.538 2.125 Start of MODEL 2 1 H1 MET 1 1H MET 1 -5.644 -9.144 -25.443 2 H2 MET 1 2H MET 1 -6.573 -7.923 -26.161 3 H3 MET 1 3H MET 1 -7.267 -8.940 -24.994 4 HA MET 1 HA MET 1 -5.894 -8.071 -23.290 5 HB2 MET 1 2HB MET 1 -4.398 -6.148 -23.737 6 HB3 MET 1 3HB MET 1 -3.876 -7.617 -24.543 7 HG2 MET 1 2HG MET 1 -4.866 -6.780 -26.640 8 HG3 MET 1 3HG MET 1 -5.288 -5.280 -25.812 9 HE1 MET 1 3HE MET 1 -3.570 -5.399 -28.499 10 HE2 MET 1 1HE MET 1 -2.308 -4.219 -28.147 11 HE3 MET 1 2HE MET 1 -3.980 -3.890 -27.684 12 H ASN 2 H ASN 2 -7.105 -6.858 -22.042 13 HA ASN 2 HA ASN 2 -8.771 -5.496 -21.343 14 HB2 ASN 2 2HB ASN 2 -7.932 -3.898 -23.763 15 HB3 ASN 2 3HB ASN 2 -9.212 -3.370 -22.682 16 HD21 ASN 2 1HD2 ASN 2 -6.294 -5.031 -21.660 17 HD22 ASN 2 2HD2 ASN 2 -5.599 -3.691 -20.815 18 H GLU 3 H GLU 3 -9.922 -7.545 -22.048 19 HA GLU 3 HA GLU 3 -11.485 -7.535 -24.419 20 HB2 GLU 3 2HB GLU 3 -11.664 -9.111 -21.857 21 HB3 GLU 3 3HB GLU 3 -12.831 -9.318 -23.151 22 HG2 GLU 3 2HG GLU 3 -11.135 -11.027 -23.261 23 HG3 GLU 3 3HG GLU 3 -11.024 -9.971 -24.668 24 H LEU 4 H LEU 4 -11.961 -6.367 -21.187 25 HA LEU 4 HA LEU 4 -13.313 -4.763 -20.354 26 HB2 LEU 4 2HB LEU 4 -14.280 -4.499 -23.198 27 HB3 LEU 4 3HB LEU 4 -14.739 -3.430 -21.890 28 HG LEU 4 HG LEU 4 -11.941 -3.795 -22.969 29 HD11 LEU 4 1HD1 LEU 4 -13.882 -1.501 -23.209 30 HD12 LEU 4 2HD1 LEU 4 -13.381 -2.586 -24.507 31 HD13 LEU 4 3HD1 LEU 4 -12.210 -1.495 -23.766 32 HD21 LEU 4 3HD2 LEU 4 -11.965 -3.310 -20.564 33 HD22 LEU 4 1HD2 LEU 4 -12.978 -1.897 -20.865 34 HD23 LEU 4 2HD2 LEU 4 -11.334 -1.954 -21.498 35 H ASP 5 H ASP 5 -14.182 -7.666 -20.729 36 HA ASP 5 HA ASP 5 -17.059 -7.321 -20.541 37 HB2 ASP 5 2HB ASP 5 -17.142 -9.761 -20.118 38 HB3 ASP 5 3HB ASP 5 -16.324 -9.356 -21.618 39 H ILE 6 H ILE 6 -17.993 -6.697 -18.795 40 HA ILE 6 HA ILE 6 -16.447 -6.360 -16.392 41 HB ILE 6 HB ILE 6 -18.236 -4.971 -15.584 42 HG12 ILE 6 2HG1 ILE 6 -20.141 -6.356 -16.515 43 HG13 ILE 6 3HG1 ILE 6 -20.331 -4.615 -16.671 44 HG21 ILE 6 1HG2 ILE 6 -16.655 -3.972 -17.098 45 HG22 ILE 6 2HG2 ILE 6 -18.251 -3.262 -17.344 46 HG23 ILE 6 3HG2 ILE 6 -17.633 -4.456 -18.486 47 HD11 ILE 6 3HD1 ILE 6 -21.088 -5.502 -18.690 48 HD12 ILE 6 1HD1 ILE 6 -19.739 -6.631 -18.805 49 HD13 ILE 6 2HD1 ILE 6 -19.465 -4.907 -19.047 50 H GLN 7 H GLN 7 -16.970 -9.049 -16.842 51 HA GLN 7 HA GLN 7 -19.225 -10.118 -15.579 52 HB2 GLN 7 2HB GLN 7 -17.833 -12.189 -15.323 53 HB3 GLN 7 3HB GLN 7 -17.865 -11.535 -16.953 54 HG2 GLN 7 2HG GLN 7 -15.670 -10.678 -16.756 55 HG3 GLN 7 3HG GLN 7 -15.642 -10.959 -15.016 56 HE21 GLN 7 1HE2 GLN 7 -15.316 -12.366 -18.158 57 HE22 GLN 7 2HE2 GLN 7 -14.731 -13.911 -17.629 58 H GLN 8 H GLN 8 -19.738 -9.175 -13.660 59 HA GLN 8 HA GLN 8 -19.802 -8.865 -11.417 60 HB2 GLN 8 2HB GLN 8 -17.609 -10.935 -11.455 61 HB3 GLN 8 3HB GLN 8 -18.274 -10.266 -9.972 62 HG2 GLN 8 2HG GLN 8 -19.970 -11.614 -12.048 63 HG3 GLN 8 3HG GLN 8 -19.191 -12.491 -10.732 64 HE21 GLN 8 1HE2 GLN 8 -21.166 -13.121 -9.875 65 HE22 GLN 8 2HE2 GLN 8 -22.192 -12.005 -9.024 66 H GLU 9 H GLU 9 -16.328 -9.334 -11.960 67 HA GLU 9 HA GLU 9 -14.498 -8.058 -11.611 68 HB2 GLU 9 2HB GLU 9 -15.779 -6.350 -12.944 69 HB3 GLU 9 3HB GLU 9 -16.313 -5.655 -11.418 70 HG2 GLU 9 2HG GLU 9 -13.883 -5.391 -10.819 71 HG3 GLU 9 3HG GLU 9 -13.512 -5.825 -12.486 72 H TYR 10 H TYR 10 -17.212 -7.333 -9.488 73 HA TYR 10 HA TYR 10 -15.326 -6.959 -7.264 74 HB2 TYR 10 2HB TYR 10 -16.749 -5.019 -7.671 75 HB3 TYR 10 3HB TYR 10 -18.189 -6.026 -7.592 76 HD1 TYR 10 HD2 TYR 10 -15.373 -4.707 -5.571 77 HD2 TYR 10 HD1 TYR 10 -19.250 -6.461 -5.544 78 HE1 TYR 10 HE2 TYR 10 -15.556 -4.256 -3.161 79 HE2 TYR 10 HE1 TYR 10 -19.446 -6.009 -3.138 80 HH TYR 10 HH TYR 10 -17.307 -3.950 -1.475 81 HA PRO 11 HA PRO 11 -17.342 -10.818 -5.937 82 HB2 PRO 11 2HB PRO 11 -14.876 -12.082 -5.513 83 HB3 PRO 11 3HB PRO 11 -15.924 -12.296 -6.915 84 HG2 PRO 11 2HG PRO 11 -13.360 -11.116 -6.893 85 HG3 PRO 11 3HG PRO 11 -14.519 -11.108 -8.230 86 HD2 PRO 11 2HD PRO 11 -13.933 -8.994 -6.216 87 HD3 PRO 11 3HD PRO 11 -14.446 -8.835 -7.911 88 H PHE 12 H PHE 12 -14.131 -10.020 -4.649 89 HA PHE 12 HA PHE 12 -15.059 -10.321 -1.928 90 HB2 PHE 12 2HB PHE 12 -12.647 -9.784 -1.388 91 HB3 PHE 12 3HB PHE 12 -12.897 -11.227 -2.361 92 HD1 PHE 12 HD2 PHE 12 -11.741 -7.729 -2.420 93 HD2 PHE 12 HD1 PHE 12 -12.049 -11.384 -4.579 94 HE1 PHE 12 HE2 PHE 12 -10.175 -6.865 -4.108 95 HE2 PHE 12 HE1 PHE 12 -10.481 -10.524 -6.266 96 HZ PHE 12 HZ PHE 12 -9.543 -8.262 -6.033 97 H THR 13 H THR 13 -14.500 -8.612 -0.308 98 HA THR 13 HA THR 13 -15.255 -5.999 -1.425 99 HB THR 13 HB THR 13 -15.554 -7.138 1.358 100 HG1 THR 13 HG1 THR 13 -17.482 -6.302 -0.584 101 HG21 THR 13 3HG2 THR 13 -16.777 -5.052 1.892 102 HG22 THR 13 1HG2 THR 13 -16.286 -4.388 0.332 103 HG23 THR 13 2HG2 THR 13 -15.071 -4.760 1.556 104 H VAL 14 H VAL 14 -13.888 -4.357 -1.364 105 HA VAL 14 HA VAL 14 -11.388 -4.667 0.143 106 HB VAL 14 HB VAL 14 -11.981 -2.746 -2.117 107 HG11 VAL 14 1HG1 VAL 14 -10.242 -1.936 -0.634 108 HG12 VAL 14 2HG1 VAL 14 -9.535 -2.444 -2.168 109 HG13 VAL 14 3HG1 VAL 14 -9.395 -3.479 -0.746 110 HG21 VAL 14 3HG2 VAL 14 -10.442 -5.339 -2.175 111 HG22 VAL 14 1HG2 VAL 14 -10.616 -4.207 -3.517 112 HG23 VAL 14 2HG2 VAL 14 -12.027 -5.063 -2.896 113 H GLU 15 H GLU 15 -11.340 -3.641 2.015 114 HA GLU 15 HA GLU 15 -12.889 -1.157 2.319 115 HB2 GLU 15 2HB GLU 15 -12.866 -3.366 3.927 116 HB3 GLU 15 3HB GLU 15 -11.641 -2.376 4.705 117 HG2 GLU 15 2HG GLU 15 -14.473 -1.521 4.133 118 HG3 GLU 15 3HG GLU 15 -13.861 -2.070 5.689 119 H SER 16 H SER 16 -11.822 0.710 2.463 120 HA SER 16 HA SER 16 -9.049 0.793 3.319 121 HB2 SER 16 2HB SER 16 -9.825 1.853 0.587 122 HB3 SER 16 3HB SER 16 -8.210 1.802 1.292 123 HG SER 16 HG SER 16 -9.143 -0.658 1.343 124 H MET 17 H MET 17 -8.695 2.616 4.437 125 HA MET 17 HA MET 17 -10.736 4.665 4.532 126 HB2 MET 17 2HB MET 17 -8.084 4.359 5.946 127 HB3 MET 17 3HB MET 17 -9.155 5.731 6.188 128 HG2 MET 17 2HG MET 17 -10.006 2.891 6.676 129 HG3 MET 17 3HG MET 17 -9.246 3.887 7.912 130 HE1 MET 17 3HE MET 17 -12.071 4.518 5.136 131 HE2 MET 17 1HE MET 17 -13.484 4.434 6.187 132 HE3 MET 17 2HE MET 17 -12.459 3.014 5.972 133 HA PRO 18 HA PRO 18 -8.858 7.299 1.467 134 HB2 PRO 18 2HB PRO 18 -9.873 9.686 2.397 135 HB3 PRO 18 3HB PRO 18 -10.748 8.571 1.345 136 HG2 PRO 18 2HG PRO 18 -10.948 8.945 4.297 137 HG3 PRO 18 3HG PRO 18 -12.228 8.607 3.119 138 HD2 PRO 18 2HD PRO 18 -11.210 6.705 4.749 139 HD3 PRO 18 3HD PRO 18 -11.793 6.344 3.110 140 H VAL 19 H VAL 19 -6.709 7.239 1.925 141 HA VAL 19 HA VAL 19 -5.628 8.492 4.297 142 HB VAL 19 HB VAL 19 -3.429 7.707 3.377 143 HG11 VAL 19 1HG1 VAL 19 -4.703 6.364 4.967 144 HG12 VAL 19 2HG1 VAL 19 -3.863 5.337 3.804 145 HG13 VAL 19 3HG1 VAL 19 -5.595 5.625 3.639 146 HG21 VAL 19 3HG2 VAL 19 -3.980 7.736 1.006 147 HG22 VAL 19 1HG2 VAL 19 -5.190 6.476 1.255 148 HG23 VAL 19 2HG2 VAL 19 -3.480 6.117 1.499 149 H ALA 20 H ALA 20 -6.826 9.990 1.872 150 HA ALA 20 HA ALA 20 -4.513 11.656 1.186 151 HB1 ALA 20 3HB ALA 20 -5.807 10.793 -0.694 152 HB2 ALA 20 1HB ALA 20 -5.897 12.553 -0.610 153 HB3 ALA 20 2HB ALA 20 -7.258 11.574 -0.062 154 H ASP 21 H ASP 21 -4.212 13.424 2.306 155 HA ASP 21 HA ASP 21 -6.323 15.321 2.706 156 HB2 ASP 21 2HB ASP 21 -6.598 13.853 4.710 157 HB3 ASP 21 3HB ASP 21 -4.945 14.236 5.178 158 H GLU 22 H GLU 22 -3.128 14.495 4.051 159 HA GLU 22 HA GLU 22 -1.622 16.164 2.448 160 HB2 GLU 22 2HB GLU 22 -1.079 18.062 3.827 161 HB3 GLU 22 3HB GLU 22 -2.818 18.031 3.575 162 HG2 GLU 22 2HG GLU 22 -3.227 17.302 5.772 163 HG3 GLU 22 3HG GLU 22 -1.530 16.890 6.033 164 H ILE 23 H ILE 23 0.600 16.598 3.489 165 HA ILE 23 HA ILE 23 1.226 15.004 5.810 166 HB ILE 23 HB ILE 23 1.258 13.392 3.844 167 HG12 ILE 23 2HG1 ILE 23 3.925 13.750 5.210 168 HG13 ILE 23 3HG1 ILE 23 2.501 13.095 6.013 169 HG21 ILE 23 1HG2 ILE 23 2.193 14.859 2.159 170 HG22 ILE 23 2HG2 ILE 23 3.234 13.454 2.387 171 HG23 ILE 23 3HG2 ILE 23 3.687 15.009 3.084 172 HD11 ILE 23 3HD1 ILE 23 2.442 11.283 4.347 173 HD12 ILE 23 1HD1 ILE 23 3.929 11.305 5.293 174 HD13 ILE 23 2HD1 ILE 23 3.929 11.918 3.642 175 H ALA 24 H ALA 24 3.444 15.389 6.548 176 HA ALA 24 HA ALA 24 4.270 18.100 5.904 177 HB1 ALA 24 3HB ALA 24 5.374 16.175 7.948 178 HB2 ALA 24 1HB ALA 24 4.098 17.358 8.240 179 HB3 ALA 24 2HB ALA 24 5.727 17.901 7.837 180 H GLY 25 H GLY 25 4.854 15.371 4.365 181 HA2 GLY 25 2HA GLY 25 6.509 15.116 2.684 182 HA3 GLY 25 3HA GLY 25 7.591 16.131 3.633 183 H ASP 26 H ASP 26 8.785 15.238 5.303 184 HA ASP 26 HA ASP 26 9.175 12.382 5.202 185 HB2 ASP 26 2HB ASP 26 11.047 14.037 5.546 186 HB3 ASP 26 3HB ASP 26 10.392 14.362 7.147 187 H GLU 27 H GLU 27 7.184 11.592 5.872 188 HA GLU 27 HA GLU 27 6.726 11.589 8.746 189 HB2 GLU 27 2HB GLU 27 5.442 13.534 7.858 190 HB3 GLU 27 3HB GLU 27 4.566 12.438 6.800 191 HG2 GLU 27 2HG GLU 27 3.770 11.243 8.854 192 HG3 GLU 27 3HG GLU 27 4.485 12.548 9.801 193 H THR 28 H THR 28 5.672 9.732 9.439 194 HA THR 28 HA THR 28 5.341 7.650 7.412 195 HB THR 28 HB THR 28 5.323 7.365 10.423 196 HG1 THR 28 HG1 THR 28 7.491 6.563 8.819 197 HG21 THR 28 3HG2 THR 28 5.691 5.328 8.222 198 HG22 THR 28 1HG2 THR 28 4.247 5.513 9.220 199 HG23 THR 28 2HG2 THR 28 5.767 5.003 9.955 200 H VAL 29 H VAL 29 3.391 7.159 6.691 201 HA VAL 29 HA VAL 29 1.056 7.791 8.368 202 HB VAL 29 HB VAL 29 -0.270 7.629 6.258 203 HG11 VAL 29 1HG1 VAL 29 1.961 9.659 6.255 204 HG12 VAL 29 2HG1 VAL 29 0.425 9.793 7.112 205 HG13 VAL 29 3HG1 VAL 29 0.452 9.789 5.349 206 HG21 VAL 29 3HG2 VAL 29 0.881 7.686 4.112 207 HG22 VAL 29 1HG2 VAL 29 1.271 6.210 4.992 208 HG23 VAL 29 2HG2 VAL 29 2.438 7.532 4.928 209 H GLU 30 H GLU 30 -0.561 6.242 8.662 210 HA GLU 30 HA GLU 30 0.366 3.482 8.245 211 HB2 GLU 30 2HB GLU 30 -1.529 4.664 10.279 212 HB3 GLU 30 3HB GLU 30 -1.226 2.940 10.103 213 HG2 GLU 30 2HG GLU 30 1.021 3.167 10.761 214 HG3 GLU 30 3HG GLU 30 0.964 4.923 10.623 215 H ILE 31 H ILE 31 -0.533 2.519 6.582 216 HA ILE 31 HA ILE 31 -3.126 3.390 5.597 217 HB ILE 31 HB ILE 31 -1.161 1.388 4.464 218 HG12 ILE 31 2HG1 ILE 31 -1.127 3.171 2.596 219 HG13 ILE 31 3HG1 ILE 31 -1.850 4.240 3.791 220 HG21 ILE 31 1HG2 ILE 31 -3.432 0.742 3.880 221 HG22 ILE 31 2HG2 ILE 31 -2.577 1.354 2.464 222 HG23 ILE 31 3HG2 ILE 31 -3.759 2.371 3.291 223 HD11 ILE 31 3HD1 ILE 31 0.804 2.846 4.045 224 HD12 ILE 31 1HD1 ILE 31 0.082 3.915 5.247 225 HD13 ILE 31 2HD1 ILE 31 0.551 4.551 3.669 226 H ARG 32 H ARG 32 -4.806 2.580 6.645 227 HA ARG 32 HA ARG 32 -4.833 -0.142 7.633 228 HB2 ARG 32 2HB ARG 32 -5.871 1.658 8.946 229 HB3 ARG 32 3HB ARG 32 -6.968 2.004 7.619 230 HG2 ARG 32 2HG ARG 32 -8.083 -0.092 7.908 231 HG3 ARG 32 3HG ARG 32 -6.885 -0.618 9.098 232 HD2 ARG 32 2HD ARG 32 -7.579 1.127 10.617 233 HD3 ARG 32 3HD ARG 32 -8.695 1.774 9.417 234 HE ARG 32 HE ARG 32 -10.085 -0.134 9.734 235 HH11 ARG 32 1HH1 ARG 32 -7.350 -0.013 11.922 236 HH12 ARG 32 2HH1 ARG 32 -8.123 -0.969 13.158 237 HH21 ARG 32 1HH2 ARG 32 -11.115 -1.396 11.366 238 HH22 ARG 32 2HH2 ARG 32 -10.254 -1.768 12.828 239 H LEU 33 H LEU 33 -5.045 -1.672 6.128 240 HA LEU 33 HA LEU 33 -7.021 -1.254 3.987 241 HB2 LEU 33 2HB LEU 33 -4.790 -0.988 3.079 242 HB3 LEU 33 3HB LEU 33 -4.285 -2.509 3.784 243 HG LEU 33 HG LEU 33 -5.797 -3.723 2.277 244 HD11 LEU 33 1HD1 LEU 33 -7.521 -2.021 2.022 245 HD12 LEU 33 2HD1 LEU 33 -6.913 -2.543 0.451 246 HD13 LEU 33 3HD1 LEU 33 -6.393 -1.000 1.130 247 HD21 LEU 33 3HD2 LEU 33 -3.490 -3.278 1.588 248 HD22 LEU 33 1HD2 LEU 33 -4.011 -1.772 0.832 249 HD23 LEU 33 2HD2 LEU 33 -4.587 -3.318 0.209 250 H GLU 34 H GLU 34 -8.471 -2.829 3.731 251 HA GLU 34 HA GLU 34 -7.853 -5.482 4.822 252 HB2 GLU 34 2HB GLU 34 -9.306 -4.097 6.375 253 HB3 GLU 34 3HB GLU 34 -10.543 -4.141 5.130 254 HG2 GLU 34 2HG GLU 34 -10.499 -6.619 5.260 255 HG3 GLU 34 3HG GLU 34 -9.382 -6.485 6.614 256 H ILE 35 H ILE 35 -7.810 -6.750 3.086 257 HA ILE 35 HA ILE 35 -9.841 -6.388 0.992 258 HB ILE 35 HB ILE 35 -7.353 -8.119 0.947 259 HG12 ILE 35 2HG1 ILE 35 -7.907 -5.474 -0.417 260 HG13 ILE 35 3HG1 ILE 35 -6.859 -5.689 0.982 261 HG21 ILE 35 1HG2 ILE 35 -9.140 -8.979 -0.476 262 HG22 ILE 35 2HG2 ILE 35 -7.816 -8.342 -1.451 263 HG23 ILE 35 3HG2 ILE 35 -9.296 -7.403 -1.251 264 HD11 ILE 35 3HD1 ILE 35 -6.431 -6.860 -1.755 265 HD12 ILE 35 1HD1 ILE 35 -5.384 -7.103 -0.357 266 HD13 ILE 35 2HD1 ILE 35 -5.570 -5.492 -1.052 267 H LYS 36 H LYS 36 -11.621 -7.344 1.859 268 HA LYS 36 HA LYS 36 -11.258 -9.926 3.202 269 HB2 LYS 36 2HB LYS 36 -12.232 -8.074 4.506 270 HB3 LYS 36 3HB LYS 36 -13.554 -7.970 3.351 271 HG2 LYS 36 2HG LYS 36 -14.460 -10.017 4.033 272 HG3 LYS 36 3HG LYS 36 -12.976 -10.496 4.867 273 HD2 LYS 36 2HD LYS 36 -14.748 -9.783 6.432 274 HD3 LYS 36 3HD LYS 36 -13.309 -8.767 6.529 275 HE2 LYS 36 2HE LYS 36 -14.605 -7.321 4.758 276 HE3 LYS 36 3HE LYS 36 -16.011 -8.136 5.442 277 HZ1 LYS 36 3HZ LYS 36 -15.621 -6.068 6.586 278 HZ2 LYS 36 1HZ LYS 36 -14.016 -6.509 6.920 279 HZ3 LYS 36 2HZ LYS 36 -15.297 -7.352 7.645 280 HA PRO 37 HA PRO 37 -13.386 -11.517 -0.421 281 HB2 PRO 37 2HB PRO 37 -12.351 -13.974 -0.311 282 HB3 PRO 37 3HB PRO 37 -11.366 -12.597 -0.822 283 HG2 PRO 37 2HG PRO 37 -11.423 -14.011 1.806 284 HG3 PRO 37 3HG PRO 37 -10.038 -13.357 0.912 285 HD2 PRO 37 2HD PRO 37 -11.333 -12.096 3.032 286 HD3 PRO 37 3HD PRO 37 -10.286 -11.298 1.842 287 H SER 38 H SER 38 -14.573 -13.762 -0.668 288 HA SER 38 HA SER 38 -16.236 -14.092 1.738 289 HB2 SER 38 2HB SER 38 -17.317 -13.471 -0.468 290 HB3 SER 38 3HB SER 38 -16.830 -15.053 -1.075 291 HG SER 38 HG SER 38 -18.233 -14.948 1.346 292 H GLY 39 H GLY 39 -13.536 -15.259 1.056 293 HA2 GLY 39 2HA GLY 39 -12.496 -17.240 1.666 294 HA3 GLY 39 3HA GLY 39 -14.084 -17.961 1.913 295 H ASN 40 H ASN 40 -13.821 -19.812 0.760 296 HA ASN 40 HA ASN 40 -13.874 -21.169 -1.059 297 HB2 ASN 40 2HB ASN 40 -14.625 -18.583 -2.441 298 HB3 ASN 40 3HB ASN 40 -14.662 -20.157 -3.226 299 HD21 ASN 40 1HD2 ASN 40 -16.173 -18.078 -0.902 300 HD22 ASN 40 2HD2 ASN 40 -17.610 -19.021 -0.684 301 H PHE 41 H PHE 41 -11.346 -19.730 -0.326 302 HA PHE 41 HA PHE 41 -10.034 -19.804 -2.942 303 HB2 PHE 41 2HB PHE 41 -8.133 -18.639 -1.880 304 HB3 PHE 41 3HB PHE 41 -9.628 -17.725 -1.774 305 HD1 PHE 41 HD2 PHE 41 -10.912 -17.846 0.458 306 HD2 PHE 41 HD1 PHE 41 -6.850 -19.027 0.001 307 HE1 PHE 41 HE2 PHE 41 -10.563 -17.576 2.877 308 HE2 PHE 41 HE1 PHE 41 -6.496 -18.760 2.420 309 HZ PHE 41 HZ PHE 41 -8.355 -18.032 3.862 310 H ILE 42 H ILE 42 -9.530 -21.809 -3.393 311 HA ILE 42 HA ILE 42 -8.591 -23.681 -1.424 312 HB ILE 42 HB ILE 42 -8.522 -23.984 -4.433 313 HG12 ILE 42 2HG1 ILE 42 -10.729 -24.786 -2.517 314 HG13 ILE 42 3HG1 ILE 42 -10.800 -23.400 -3.601 315 HG21 ILE 42 1HG2 ILE 42 -8.594 -26.384 -3.929 316 HG22 ILE 42 2HG2 ILE 42 -8.570 -26.020 -2.204 317 HG23 ILE 42 3HG2 ILE 42 -7.180 -25.613 -3.210 318 HD11 ILE 42 3HD1 ILE 42 -10.600 -26.290 -4.413 319 HD12 ILE 42 1HD1 ILE 42 -10.632 -24.916 -5.518 320 HD13 ILE 42 2HD1 ILE 42 -12.034 -25.268 -4.509 321 H GLY 43 H GLY 43 -7.070 -22.973 -4.543 322 HA2 GLY 43 2HA GLY 43 -4.475 -22.808 -3.171 323 HA3 GLY 43 3HA GLY 43 -4.708 -23.167 -4.879 324 H THR 44 H THR 44 -3.599 -20.865 -2.886 325 HA THR 44 HA THR 44 -3.935 -18.818 -4.909 326 HB THR 44 HB THR 44 -4.824 -18.302 -2.059 327 HG1 THR 44 HG1 THR 44 -6.155 -19.211 -4.242 328 HG21 THR 44 3HG2 THR 44 -5.481 -16.094 -2.910 329 HG22 THR 44 1HG2 THR 44 -4.809 -16.505 -4.490 330 HG23 THR 44 2HG2 THR 44 -3.747 -16.358 -3.089 331 H VAL 45 H VAL 45 -1.826 -18.478 -5.272 332 HA VAL 45 HA VAL 45 0.170 -18.405 -3.257 333 HB VAL 45 HB VAL 45 0.254 -17.124 -5.995 334 HG11 VAL 45 1HG1 VAL 45 2.683 -17.350 -5.781 335 HG12 VAL 45 2HG1 VAL 45 2.477 -17.983 -4.147 336 HG13 VAL 45 3HG1 VAL 45 2.011 -16.320 -4.517 337 HG21 VAL 45 3HG2 VAL 45 1.378 -19.194 -6.716 338 HG22 VAL 45 1HG2 VAL 45 -0.287 -19.470 -6.205 339 HG23 VAL 45 2HG2 VAL 45 1.045 -19.902 -5.134 340 H TYR 46 H TYR 46 -1.301 -15.844 -5.202 341 HA TYR 46 HA TYR 46 -1.682 -13.640 -4.878 342 HB2 TYR 46 2HB TYR 46 -2.903 -14.797 -2.862 343 HB3 TYR 46 3HB TYR 46 -1.654 -14.003 -1.911 344 HD1 TYR 46 HD1 TYR 46 -1.601 -11.556 -1.731 345 HD2 TYR 46 HD2 TYR 46 -4.617 -13.527 -3.991 346 HE1 TYR 46 HE1 TYR 46 -2.918 -9.480 -1.775 347 HE2 TYR 46 HE2 TYR 46 -5.940 -11.457 -4.041 348 HH TYR 46 HH TYR 46 -6.142 -9.377 -2.624 349 H THR 47 H THR 47 0.191 -12.762 -5.592 350 HA THR 47 HA THR 47 2.400 -12.503 -3.685 351 HB THR 47 HB THR 47 2.382 -12.095 -6.684 352 HG1 THR 47 HG1 THR 47 2.246 -14.307 -5.714 353 HG21 THR 47 3HG2 THR 47 4.038 -10.654 -5.586 354 HG22 THR 47 1HG2 THR 47 4.825 -11.953 -6.483 355 HG23 THR 47 2HG2 THR 47 4.688 -12.049 -4.729 356 H LEU 48 H LEU 48 3.024 -10.604 -2.890 357 HA LEU 48 HA LEU 48 1.590 -8.201 -3.797 358 HB2 LEU 48 2HB LEU 48 1.179 -8.723 -1.474 359 HB3 LEU 48 3HB LEU 48 2.898 -8.868 -1.160 360 HG LEU 48 HG LEU 48 3.172 -6.450 -1.599 361 HD11 LEU 48 1HD1 LEU 48 1.309 -6.127 -3.125 362 HD12 LEU 48 2HD1 LEU 48 1.192 -5.021 -1.756 363 HD13 LEU 48 3HD1 LEU 48 0.167 -6.455 -1.823 364 HD21 LEU 48 3HD2 LEU 48 1.089 -7.111 0.482 365 HD22 LEU 48 1HD2 LEU 48 2.098 -5.666 0.450 366 HD23 LEU 48 2HD2 LEU 48 2.836 -7.251 0.683 367 H ARG 49 H ARG 49 2.715 -6.855 -4.984 368 HA ARG 49 HA ARG 49 5.559 -6.467 -4.351 369 HB2 ARG 49 2HB ARG 49 6.086 -6.233 -6.732 370 HB3 ARG 49 3HB ARG 49 5.447 -7.832 -6.385 371 HG2 ARG 49 2HG ARG 49 3.250 -7.102 -7.238 372 HG3 ARG 49 3HG ARG 49 3.961 -5.541 -7.653 373 HD2 ARG 49 2HD ARG 49 5.588 -6.745 -9.101 374 HD3 ARG 49 3HD ARG 49 4.715 -8.241 -8.765 375 HE ARG 49 HE ARG 49 3.621 -5.923 -10.222 376 HH11 ARG 49 1HH1 ARG 49 3.616 -9.353 -9.481 377 HH12 ARG 49 2HH1 ARG 49 2.428 -9.739 -10.703 378 HH21 ARG 49 1HH2 ARG 49 2.117 -6.427 -11.840 379 HH22 ARG 49 2HH2 ARG 49 1.592 -8.076 -12.052 380 H TYR 50 H TYR 50 6.129 -4.385 -4.127 381 HA TYR 50 HA TYR 50 4.133 -2.389 -4.948 382 HB2 TYR 50 2HB TYR 50 3.997 -1.625 -2.851 383 HB3 TYR 50 3HB TYR 50 4.984 -2.984 -2.337 384 HD1 TYR 50 HD1 TYR 50 5.005 0.593 -3.200 385 HD2 TYR 50 HD2 TYR 50 7.284 -2.671 -1.709 386 HE1 TYR 50 HE1 TYR 50 6.736 2.162 -2.431 387 HE2 TYR 50 HE2 TYR 50 9.022 -1.115 -0.938 388 HH TYR 50 HH TYR 50 8.567 2.360 -1.028 389 H PHE 51 H PHE 51 4.820 -0.699 -6.107 390 HA PHE 51 HA PHE 51 7.714 -0.270 -6.355 391 HB2 PHE 51 2HB PHE 51 6.973 -1.609 -8.295 392 HB3 PHE 51 3HB PHE 51 5.771 -0.380 -8.679 393 HD1 PHE 51 HD2 PHE 51 9.442 -0.697 -8.107 394 HD2 PHE 51 HD1 PHE 51 6.304 1.197 -10.263 395 HE1 PHE 51 HE2 PHE 51 11.105 0.501 -9.470 396 HE2 PHE 51 HE1 PHE 51 7.959 2.400 -11.624 397 HZ PHE 51 HZ PHE 51 10.365 2.052 -11.229 398 H GLN 52 H GLN 52 8.324 1.857 -6.827 399 HA GLN 52 HA GLN 52 6.190 3.837 -6.414 400 HB2 GLN 52 2HB GLN 52 9.149 4.114 -5.848 401 HB3 GLN 52 3HB GLN 52 7.910 5.313 -5.500 402 HG2 GLN 52 2HG GLN 52 6.929 3.928 -3.841 403 HG3 GLN 52 3HG GLN 52 7.942 2.562 -4.298 404 HE21 GLN 52 1HE2 GLN 52 10.293 4.307 -4.618 405 HE22 GLN 52 2HE2 GLN 52 10.834 4.616 -3.006 406 HA PRO 53 HA PRO 53 7.498 4.623 -10.732 407 HB2 PRO 53 2HB PRO 53 4.830 5.837 -10.906 408 HB3 PRO 53 3HB PRO 53 5.523 4.527 -11.864 409 HG2 PRO 53 2HG PRO 53 3.565 4.103 -10.066 410 HG3 PRO 53 3HG PRO 53 4.830 2.903 -10.383 411 HD2 PRO 53 2HD PRO 53 4.591 4.848 -8.117 412 HD3 PRO 53 3HD PRO 53 5.085 3.141 -8.090 413 H ASP 54 H ASP 54 6.391 6.529 -8.129 414 HA ASP 54 HA ASP 54 7.789 8.866 -9.122 415 HB2 ASP 54 2HB ASP 54 5.617 9.326 -10.026 416 HB3 ASP 54 3HB ASP 54 4.826 8.838 -8.531 417 H GLY 55 H GLY 55 8.528 10.180 -7.468 418 HA2 GLY 55 2HA GLY 55 8.829 10.956 -5.314 419 HA3 GLY 55 3HA GLY 55 7.484 9.951 -4.800 420 H LYS 56 H LYS 56 8.733 9.478 -2.922 421 HA LYS 56 HA LYS 56 10.404 7.159 -3.154 422 HB2 LYS 56 2HB LYS 56 12.021 8.922 -3.704 423 HB3 LYS 56 3HB LYS 56 11.600 9.784 -2.234 424 HG2 LYS 56 2HG LYS 56 12.518 8.000 -0.887 425 HG3 LYS 56 3HG LYS 56 12.864 7.057 -2.340 426 HD2 LYS 56 2HD LYS 56 14.372 8.831 -3.113 427 HD3 LYS 56 3HD LYS 56 14.041 9.747 -1.643 428 HE2 LYS 56 2HE LYS 56 16.169 8.494 -1.545 429 HE3 LYS 56 3HE LYS 56 15.028 8.014 -0.290 430 HZ1 LYS 56 3HZ LYS 56 16.227 6.173 -1.486 431 HZ2 LYS 56 1HZ LYS 56 15.278 6.539 -2.845 432 HZ3 LYS 56 2HZ LYS 56 14.538 6.030 -1.404 433 H GLY 57 H GLY 57 10.189 5.961 -1.322 434 HA2 GLY 57 2HA GLY 57 9.934 7.151 1.268 435 HA3 GLY 57 3HA GLY 57 8.410 6.493 0.685 436 H SER 58 H SER 58 9.172 5.381 2.887 437 HA SER 58 HA SER 58 10.302 2.784 2.071 438 HB2 SER 58 2HB SER 58 10.508 4.060 4.809 439 HB3 SER 58 3HB SER 58 11.201 2.515 4.320 440 HG SER 58 HG SER 58 11.918 4.639 2.717 441 H LEU 59 H LEU 59 8.964 1.108 2.314 442 HA LEU 59 HA LEU 59 6.557 1.494 3.967 443 HB2 LEU 59 2HB LEU 59 6.158 1.351 1.520 444 HB3 LEU 59 3HB LEU 59 6.904 -0.235 1.512 445 HG LEU 59 HG LEU 59 5.103 -1.067 2.988 446 HD11 LEU 59 1HD1 LEU 59 3.084 0.306 3.267 447 HD12 LEU 59 2HD1 LEU 59 3.942 1.677 2.566 448 HD13 LEU 59 3HD1 LEU 59 4.485 0.987 4.095 449 HD21 LEU 59 3HD2 LEU 59 4.947 -1.334 0.578 450 HD22 LEU 59 1HD2 LEU 59 4.170 0.244 0.444 451 HD23 LEU 59 2HD2 LEU 59 3.354 -1.073 1.288 452 H LYS 60 H LYS 60 6.108 -0.016 5.512 453 HA LYS 60 HA LYS 60 7.497 -2.588 5.417 454 HB2 LYS 60 2HB LYS 60 8.143 -2.436 7.784 455 HB3 LYS 60 3HB LYS 60 8.927 -1.194 6.817 456 HG2 LYS 60 2HG LYS 60 7.366 0.464 7.622 457 HG3 LYS 60 3HG LYS 60 6.487 -0.770 8.523 458 HD2 LYS 60 2HD LYS 60 9.377 -0.048 8.979 459 HD3 LYS 60 3HD LYS 60 8.030 0.582 9.927 460 HE2 LYS 60 2HE LYS 60 8.735 -2.341 9.644 461 HE3 LYS 60 3HE LYS 60 9.183 -1.321 11.012 462 HZ1 LYS 60 3HZ LYS 60 7.232 -2.565 11.568 463 HZ2 LYS 60 1HZ LYS 60 6.429 -2.048 10.167 464 HZ3 LYS 60 2HZ LYS 60 6.788 -0.938 11.397 465 H MET 61 H MET 61 6.533 -4.201 6.833 466 HA MET 61 HA MET 61 3.645 -3.799 6.941 467 HB2 MET 61 2HB MET 61 5.307 -6.306 7.250 468 HB3 MET 61 3HB MET 61 3.550 -6.254 7.263 469 HG2 MET 61 2HG MET 61 3.578 -5.376 4.968 470 HG3 MET 61 3HG MET 61 5.336 -5.494 4.961 471 HE1 MET 61 3HE MET 61 5.887 -9.366 5.246 472 HE2 MET 61 1HE MET 61 5.802 -8.208 6.575 473 HE3 MET 61 2HE MET 61 6.667 -7.791 5.095 474 H GLU 62 H GLU 62 2.561 -5.102 8.774 475 HA GLU 62 HA GLU 62 2.731 -3.780 11.137 476 HB2 GLU 62 2HB GLU 62 1.827 -6.571 10.506 477 HB3 GLU 62 3HB GLU 62 1.717 -5.927 12.137 478 HG2 GLU 62 2HG GLU 62 0.470 -4.641 9.722 479 HG3 GLU 62 3HG GLU 62 -0.374 -5.732 10.825 480 H ASP 63 H ASP 63 4.138 -7.013 10.621 481 HA ASP 63 HA ASP 63 5.409 -7.026 13.172 482 HB2 ASP 63 2HB ASP 63 4.727 -9.115 12.143 483 HB3 ASP 63 3HB ASP 63 5.773 -8.811 10.759 484 H GLY 64 H GLY 64 6.322 -5.924 10.029 485 HA2 GLY 64 2HA GLY 64 8.450 -4.459 10.355 486 HA3 GLY 64 3HA GLY 64 9.175 -6.027 10.694 487 H THR 65 H THR 65 10.474 -6.304 8.966 488 HA THR 65 HA THR 65 11.152 -6.671 6.840 489 HB THR 65 HB THR 65 8.215 -7.167 6.303 490 HG1 THR 65 HG1 THR 65 9.325 -8.539 7.915 491 HG21 THR 65 3HG2 THR 65 9.421 -6.771 4.225 492 HG22 THR 65 1HG2 THR 65 9.027 -8.482 4.378 493 HG23 THR 65 2HG2 THR 65 10.667 -7.924 4.703 494 H VAL 66 H VAL 66 11.960 -4.858 6.014 495 HA VAL 66 HA VAL 66 10.247 -2.656 5.236 496 HB VAL 66 HB VAL 66 13.223 -2.976 4.772 497 HG11 VAL 66 1HG1 VAL 66 12.222 -1.305 3.338 498 HG12 VAL 66 2HG1 VAL 66 13.191 -0.523 4.588 499 HG13 VAL 66 3HG1 VAL 66 11.431 -0.552 4.723 500 HG21 VAL 66 3HG2 VAL 66 11.781 -1.599 7.037 501 HG22 VAL 66 1HG2 VAL 66 13.525 -1.595 6.764 502 HG23 VAL 66 2HG2 VAL 66 12.697 -3.102 7.155 503 H LEU 67 H LEU 67 9.168 -2.744 3.402 504 HA LEU 67 HA LEU 67 9.723 -4.735 1.437 505 HB2 LEU 67 2HB LEU 67 7.771 -2.441 1.263 506 HB3 LEU 67 3HB LEU 67 7.747 -3.915 0.316 507 HG LEU 67 HG LEU 67 7.214 -3.688 3.281 508 HD11 LEU 67 1HD1 LEU 67 5.406 -2.871 1.837 509 HD12 LEU 67 2HD1 LEU 67 4.957 -4.337 2.708 510 HD13 LEU 67 3HD1 LEU 67 5.387 -4.424 1.001 511 HD21 LEU 67 3HD2 LEU 67 7.203 -6.120 1.499 512 HD22 LEU 67 1HD2 LEU 67 6.677 -6.071 3.183 513 HD23 LEU 67 2HD2 LEU 67 8.367 -5.771 2.775 514 H LYS 68 H LYS 68 10.725 -4.574 -0.451 515 HA LYS 68 HA LYS 68 12.027 -2.032 -1.096 516 HB2 LYS 68 2HB LYS 68 12.539 -4.807 -2.190 517 HB3 LYS 68 3HB LYS 68 13.512 -3.377 -2.510 518 HG2 LYS 68 2HG LYS 68 13.119 -4.650 0.194 519 HG3 LYS 68 3HG LYS 68 14.533 -4.859 -0.844 520 HD2 LYS 68 2HD LYS 68 15.064 -2.518 -0.675 521 HD3 LYS 68 3HD LYS 68 13.571 -2.202 0.211 522 HE2 LYS 68 2HE LYS 68 14.339 -3.554 2.063 523 HE3 LYS 68 3HE LYS 68 15.794 -3.999 1.168 524 HZ1 LYS 68 3HZ LYS 68 15.096 -1.212 1.929 525 HZ2 LYS 68 1HZ LYS 68 16.549 -1.751 1.240 526 HZ3 LYS 68 2HZ LYS 68 16.138 -2.212 2.819 527 HA PRO 69 HA PRO 69 9.421 -1.188 -4.592 528 HB2 PRO 69 2HB PRO 69 11.913 -0.358 -5.967 529 HB3 PRO 69 3HB PRO 69 10.429 0.554 -5.678 530 HG2 PRO 69 2HG PRO 69 12.649 1.069 -4.289 531 HG3 PRO 69 3HG PRO 69 11.050 1.145 -3.525 532 HD2 PRO 69 2HD PRO 69 13.142 -0.986 -3.346 533 HD3 PRO 69 3HD PRO 69 12.057 -0.360 -2.088 534 H ASN 70 H ASN 70 8.770 -2.252 -6.330 535 HA ASN 70 HA ASN 70 8.480 -3.918 -7.792 536 HB2 ASN 70 2HB ASN 70 10.115 -4.239 -9.546 537 HB3 ASN 70 3HB ASN 70 9.964 -2.533 -9.169 538 HD21 ASN 70 1HD2 ASN 70 12.025 -5.339 -9.011 539 HD22 ASN 70 2HD2 ASN 70 13.489 -4.480 -8.669 540 H ASP 71 H ASP 71 9.705 -4.575 -5.080 541 HA ASP 71 HA ASP 71 10.734 -7.236 -5.741 542 HB2 ASP 71 2HB ASP 71 11.768 -5.663 -3.935 543 HB3 ASP 71 3HB ASP 71 10.406 -6.179 -2.944 544 H ARG 72 H ARG 72 9.772 -9.088 -4.506 545 HA ARG 72 HA ARG 72 6.875 -8.689 -4.273 546 HB2 ARG 72 2HB ARG 72 6.660 -10.997 -5.381 547 HB3 ARG 72 3HB ARG 72 6.994 -9.613 -6.408 548 HG2 ARG 72 2HG ARG 72 9.236 -11.311 -5.392 549 HG3 ARG 72 3HG ARG 72 8.281 -11.821 -6.786 550 HD2 ARG 72 2HD ARG 72 8.827 -9.769 -7.950 551 HD3 ARG 72 3HD ARG 72 9.697 -9.170 -6.538 552 HE ARG 72 HE ARG 72 10.580 -11.635 -7.879 553 HH11 ARG 72 1HH1 ARG 72 11.165 -8.305 -6.952 554 HH12 ARG 72 2HH1 ARG 72 12.858 -8.354 -7.320 555 HH21 ARG 72 1HH2 ARG 72 12.800 -11.699 -8.416 556 HH22 ARG 72 2HH2 ARG 72 13.794 -10.290 -8.166 557 H TYR 73 H TYR 73 5.912 -9.633 -2.634 558 HA TYR 73 HA TYR 73 7.455 -11.579 -1.047 559 HB2 TYR 73 2HB TYR 73 5.606 -9.421 0.010 560 HB3 TYR 73 3HB TYR 73 6.521 -10.570 0.979 561 HD1 TYR 73 HD2 TYR 73 6.759 -7.597 -1.177 562 HD2 TYR 73 HD1 TYR 73 8.860 -10.230 1.421 563 HE1 TYR 73 HE2 TYR 73 8.640 -6.017 -1.111 564 HE2 TYR 73 HE1 TYR 73 10.750 -8.659 1.492 565 HH TYR 73 HH TYR 73 11.693 -6.854 0.126 566 H LEU 74 H LEU 74 6.129 -13.039 0.247 567 HA LEU 74 HA LEU 74 3.745 -13.856 -1.197 568 HB2 LEU 74 2HB LEU 74 5.416 -15.513 -0.413 569 HB3 LEU 74 3HB LEU 74 5.057 -15.068 1.244 570 HG LEU 74 HG LEU 74 2.719 -15.855 0.902 571 HD11 LEU 74 1HD1 LEU 74 2.604 -15.585 -1.514 572 HD12 LEU 74 2HD1 LEU 74 2.218 -17.239 -1.039 573 HD13 LEU 74 3HD1 LEU 74 3.801 -16.865 -1.720 574 HD21 LEU 74 3HD2 LEU 74 3.253 -18.230 0.976 575 HD22 LEU 74 1HD2 LEU 74 4.400 -17.295 1.934 576 HD23 LEU 74 2HD2 LEU 74 4.866 -17.898 0.342 577 H LEU 75 H LEU 75 1.864 -12.903 -0.738 578 HA LEU 75 HA LEU 75 1.515 -11.742 1.925 579 HB2 LEU 75 2HB LEU 75 1.205 -10.299 -0.071 580 HB3 LEU 75 3HB LEU 75 -0.135 -11.317 -0.565 581 HG LEU 75 HG LEU 75 -1.351 -10.696 1.495 582 HD11 LEU 75 1HD1 LEU 75 0.581 -10.237 2.921 583 HD12 LEU 75 2HD1 LEU 75 -0.522 -8.862 2.878 584 HD13 LEU 75 3HD1 LEU 75 0.970 -8.821 1.942 585 HD21 LEU 75 3HD2 LEU 75 -0.395 -8.359 -0.153 586 HD22 LEU 75 1HD2 LEU 75 -1.846 -8.391 0.848 587 HD23 LEU 75 2HD2 LEU 75 -1.724 -9.445 -0.561 588 H ASN 76 H ASN 76 0.713 -13.176 3.290 589 HA ASN 76 HA ASN 76 -1.465 -14.949 2.465 590 HB2 ASN 76 2HB ASN 76 0.587 -15.681 3.867 591 HB3 ASN 76 3HB ASN 76 -0.187 -14.833 5.196 592 HD21 ASN 76 1HD2 ASN 76 -2.902 -15.603 4.385 593 HD22 ASN 76 2HD2 ASN 76 -3.047 -17.287 4.786 594 H GLU 77 H GLU 77 -0.750 -12.095 4.228 595 HA GLU 77 HA GLU 77 -3.133 -11.965 5.778 596 HB2 GLU 77 2HB GLU 77 -1.078 -9.901 4.995 597 HB3 GLU 77 3HB GLU 77 -2.452 -9.533 6.021 598 HG2 GLU 77 2HG GLU 77 -0.492 -9.881 7.363 599 HG3 GLU 77 3HG GLU 77 -1.653 -11.170 7.662 600 H TRP 78 H TRP 78 -5.064 -11.214 5.265 601 HA TRP 78 HA TRP 78 -5.426 -9.878 2.665 602 HB2 TRP 78 2HB TRP 78 -7.428 -11.302 4.439 603 HB3 TRP 78 3HB TRP 78 -7.838 -10.461 2.949 604 HD1 TRP 78 HD1 TRP 78 -5.987 -13.598 4.186 605 HE1 TRP 78 HE1 TRP 78 -5.821 -15.263 2.230 606 HE3 TRP 78 HE3 TRP 78 -7.852 -10.654 0.442 607 HZ2 TRP 78 HZ2 TRP 78 -6.406 -15.322 -0.539 608 HZ3 TRP 78 HZ3 TRP 78 -8.017 -11.585 -1.828 609 HH2 TRP 78 HH2 TRP 78 -7.308 -13.874 -2.307 610 H LYS 79 H LYS 79 -5.905 -9.699 6.085 611 HA LYS 79 HA LYS 79 -6.800 -6.898 5.857 612 HB2 LYS 79 2HB LYS 79 -8.501 -8.223 6.922 613 HB3 LYS 79 3HB LYS 79 -7.322 -9.019 7.951 614 HG2 LYS 79 2HG LYS 79 -6.907 -6.831 9.058 615 HG3 LYS 79 3HG LYS 79 -8.233 -6.158 8.108 616 HD2 LYS 79 2HD LYS 79 -9.786 -7.726 9.094 617 HD3 LYS 79 3HD LYS 79 -8.473 -8.521 9.966 618 HE2 LYS 79 2HE LYS 79 -9.723 -7.029 11.426 619 HE3 LYS 79 3HE LYS 79 -8.061 -6.484 11.229 620 HZ1 LYS 79 3HZ LYS 79 -9.768 -4.702 11.111 621 HZ2 LYS 79 1HZ LYS 79 -10.343 -5.394 9.669 622 HZ3 LYS 79 2HZ LYS 79 -8.764 -4.787 9.751 623 H PHE 80 H PHE 80 -5.362 -5.401 6.604 624 HA PHE 80 HA PHE 80 -3.549 -5.938 8.740 625 HB2 PHE 80 2HB PHE 80 -1.446 -5.773 7.363 626 HB3 PHE 80 3HB PHE 80 -2.340 -7.275 7.172 627 HD1 PHE 80 HD2 PHE 80 -1.433 -4.093 5.562 628 HD2 PHE 80 HD1 PHE 80 -3.309 -7.882 5.076 629 HE1 PHE 80 HE2 PHE 80 -1.455 -3.768 3.123 630 HE2 PHE 80 HE1 PHE 80 -3.337 -7.561 2.638 631 HZ PHE 80 HZ PHE 80 -2.412 -5.503 1.657 632 H ARG 81 H ARG 81 -1.604 -4.240 8.490 633 HA ARG 81 HA ARG 81 -2.595 -1.682 7.481 634 HB2 ARG 81 2HB ARG 81 -3.177 -1.659 9.838 635 HB3 ARG 81 3HB ARG 81 -1.568 -2.208 10.282 636 HG2 ARG 81 2HG ARG 81 -0.661 -0.077 9.369 637 HG3 ARG 81 3HG ARG 81 -2.323 0.468 9.128 638 HD2 ARG 81 2HD ARG 81 -1.285 1.271 11.251 639 HD3 ARG 81 3HD ARG 81 -2.771 0.347 11.482 640 HE ARG 81 HE ARG 81 -0.637 -1.444 11.620 641 HH11 ARG 81 1HH1 ARG 81 -1.685 1.373 13.427 642 HH12 ARG 81 2HH1 ARG 81 -1.188 0.722 14.961 643 HH21 ARG 81 1HH2 ARG 81 0.012 -2.282 13.604 644 HH22 ARG 81 2HH2 ARG 81 -0.193 -1.353 15.061 645 H LEU 82 H LEU 82 -0.966 -0.394 6.665 646 HA LEU 82 HA LEU 82 1.735 -1.568 6.780 647 HB2 LEU 82 2HB LEU 82 0.419 -0.069 4.518 648 HB3 LEU 82 3HB LEU 82 2.103 -0.550 4.542 649 HG LEU 82 HG LEU 82 -0.253 -2.439 4.574 650 HD11 LEU 82 1HD1 LEU 82 0.009 -1.322 2.425 651 HD12 LEU 82 2HD1 LEU 82 0.481 -3.018 2.310 652 HD13 LEU 82 3HD1 LEU 82 1.717 -1.763 2.392 653 HD21 LEU 82 3HD2 LEU 82 1.709 -3.291 5.791 654 HD22 LEU 82 1HD2 LEU 82 2.700 -3.011 4.359 655 HD23 LEU 82 2HD2 LEU 82 1.396 -4.198 4.310 656 H TYR 83 H TYR 83 3.432 -0.281 7.225 657 HA TYR 83 HA TYR 83 2.849 2.491 7.976 658 HB2 TYR 83 2HB TYR 83 5.127 0.623 8.632 659 HB3 TYR 83 3HB TYR 83 5.215 2.348 8.959 660 HD1 TYR 83 HD1 TYR 83 3.288 -0.729 9.760 661 HD2 TYR 83 HD2 TYR 83 4.280 3.249 10.903 662 HE1 TYR 83 HE1 TYR 83 2.205 -1.089 11.937 663 HE2 TYR 83 HE2 TYR 83 3.191 2.901 13.081 664 HH TYR 83 HH TYR 83 1.553 1.483 14.127 665 H TYR 84 H TYR 84 3.124 3.879 6.322 666 HA TYR 84 HA TYR 84 5.433 3.429 4.556 667 HB2 TYR 84 2HB TYR 84 3.312 3.414 3.338 668 HB3 TYR 84 3HB TYR 84 2.903 4.994 4.001 669 HD1 TYR 84 HD1 TYR 84 5.588 3.320 2.014 670 HD2 TYR 84 HD2 TYR 84 3.379 6.879 2.748 671 HE1 TYR 84 HE1 TYR 84 6.735 4.411 0.134 672 HE2 TYR 84 HE2 TYR 84 4.520 7.983 0.872 673 HH TYR 84 HH TYR 84 6.654 7.746 -0.384 674 H THR 85 H THR 85 7.091 4.583 5.208 675 HA THR 85 HA THR 85 6.709 7.236 6.346 676 HB THR 85 HB THR 85 9.286 5.737 5.822 677 HG1 THR 85 HG1 THR 85 8.412 4.553 7.392 678 HG21 THR 85 3HG2 THR 85 9.598 8.149 6.052 679 HG22 THR 85 1HG2 THR 85 10.239 7.300 7.461 680 HG23 THR 85 2HG2 THR 85 8.687 8.135 7.562 681 H SER 86 H SER 86 6.344 8.795 4.898 682 HA SER 86 HA SER 86 7.271 8.637 2.194 683 HB2 SER 86 2HB SER 86 6.047 10.969 3.691 684 HB3 SER 86 3HB SER 86 6.222 10.834 1.941 685 HG SER 86 HG SER 86 4.523 9.419 3.678 686 H GLN 87 H GLN 87 8.995 9.662 1.252 687 HA GLN 87 HA GLN 87 10.770 11.140 3.083 688 HB2 GLN 87 2HB GLN 87 11.655 9.146 0.992 689 HB3 GLN 87 3HB GLN 87 12.691 10.017 2.115 690 HG2 GLN 87 2HG GLN 87 11.642 8.857 3.986 691 HG3 GLN 87 3HG GLN 87 10.597 7.990 2.864 692 HE21 GLN 87 1HE2 GLN 87 13.766 8.255 4.203 693 HE22 GLN 87 2HE2 GLN 87 14.409 6.806 3.501 694 H SER 88 H SER 88 8.877 11.518 0.545 695 HA SER 88 HA SER 88 10.748 13.276 -0.892 696 HB2 SER 88 2HB SER 88 9.719 11.436 -2.247 697 HB3 SER 88 3HB SER 88 8.133 12.126 -1.909 698 HG SER 88 HG SER 88 8.527 13.230 -3.660 699 H ASP 89 H ASP 89 10.527 15.337 -0.364 700 HA ASP 89 HA ASP 89 8.141 16.248 1.012 701 HB2 ASP 89 2HB ASP 89 10.371 16.890 1.832 702 HB3 ASP 89 3HB ASP 89 10.695 17.711 0.308 703 H LYS 90 H LYS 90 9.709 16.645 -2.074 704 HA LYS 90 HA LYS 90 7.590 18.513 -2.890 705 HB2 LYS 90 2HB LYS 90 10.496 18.499 -3.726 706 HB3 LYS 90 3HB LYS 90 9.263 19.561 -4.396 707 HG2 LYS 90 2HG LYS 90 8.953 20.653 -2.306 708 HG3 LYS 90 3HG LYS 90 9.960 19.469 -1.474 709 HD2 LYS 90 2HD LYS 90 11.909 20.239 -2.705 710 HD3 LYS 90 3HD LYS 90 10.908 21.393 -3.593 711 HE2 LYS 90 2HE LYS 90 12.153 22.411 -1.703 712 HE3 LYS 90 3HE LYS 90 10.404 22.594 -1.580 713 HZ1 LYS 90 3HZ LYS 90 12.022 20.552 -0.140 714 HZ2 LYS 90 1HZ LYS 90 10.345 20.760 -0.000 715 HZ3 LYS 90 2HZ LYS 90 11.400 21.971 0.546 716 H GLU 91 H GLU 91 6.733 18.321 -4.919 717 HA GLU 91 HA GLU 91 5.973 17.288 -6.780 718 HB2 GLU 91 2HB GLU 91 8.594 15.792 -6.655 719 HB3 GLU 91 3HB GLU 91 7.432 15.632 -7.967 720 HG2 GLU 91 2HG GLU 91 7.679 17.983 -8.506 721 HG3 GLU 91 3HG GLU 91 8.785 18.195 -7.150 722 H ALA 92 H ALA 92 6.088 16.075 -3.878 723 HA ALA 92 HA ALA 92 4.923 14.494 -2.751 724 HB1 ALA 92 3HB ALA 92 3.056 15.244 -4.132 725 HB2 ALA 92 1HB ALA 92 2.957 13.511 -3.822 726 HB3 ALA 92 2HB ALA 92 3.513 14.096 -5.390 727 H GLN 93 H GLN 93 3.982 12.019 -3.300 728 HA GLN 93 HA GLN 93 5.917 10.554 -4.886 729 HB2 GLN 93 2HB GLN 93 6.267 8.870 -3.052 730 HB3 GLN 93 3HB GLN 93 7.066 10.414 -2.811 731 HG2 GLN 93 2HG GLN 93 4.406 10.240 -1.605 732 HG3 GLN 93 3HG GLN 93 5.582 9.099 -0.952 733 HE21 GLN 93 1HE2 GLN 93 4.664 12.413 -1.231 734 HE22 GLN 93 2HE2 GLN 93 5.867 13.053 -0.161 735 H THR 94 H THR 94 5.146 8.558 -5.604 736 HA THR 94 HA THR 94 2.329 7.995 -4.949 737 HB THR 94 HB THR 94 3.461 7.775 -7.743 738 HG1 THR 94 HG1 THR 94 3.474 9.976 -7.195 739 HG21 THR 94 3HG2 THR 94 0.629 7.845 -6.689 740 HG22 THR 94 1HG2 THR 94 1.480 6.416 -7.278 741 HG23 THR 94 2HG2 THR 94 1.091 7.731 -8.388 742 H ILE 95 H ILE 95 1.997 5.915 -4.406 743 HA ILE 95 HA ILE 95 4.107 3.989 -5.142 744 HB ILE 95 HB ILE 95 3.476 2.691 -3.132 745 HG12 ILE 95 2HG1 ILE 95 1.808 5.118 -2.431 746 HG13 ILE 95 3HG1 ILE 95 1.164 3.544 -2.889 747 HG21 ILE 95 1HG2 ILE 95 4.323 5.539 -2.632 748 HG22 ILE 95 2HG2 ILE 95 5.371 4.184 -3.049 749 HG23 ILE 95 3HG2 ILE 95 4.530 4.203 -1.499 750 HD11 ILE 95 3HD1 ILE 95 1.075 3.834 -0.493 751 HD12 ILE 95 1HD1 ILE 95 2.808 4.160 -0.442 752 HD13 ILE 95 2HD1 ILE 95 2.224 2.562 -0.903 753 H ASP 96 H ASP 96 3.574 2.166 -6.135 754 HA ASP 96 HA ASP 96 0.729 1.695 -6.720 755 HB2 ASP 96 2HB ASP 96 3.249 1.259 -8.259 756 HB3 ASP 96 3HB ASP 96 1.925 0.130 -8.514 757 H LEU 97 H LEU 97 -0.068 0.271 -5.327 758 HA LEU 97 HA LEU 97 1.566 -1.967 -4.413 759 HB2 LEU 97 2HB LEU 97 -1.267 -1.208 -3.681 760 HB3 LEU 97 3HB LEU 97 -0.298 -2.441 -2.898 761 HG LEU 97 HG LEU 97 0.287 0.522 -2.878 762 HD11 LEU 97 1HD1 LEU 97 -1.674 -0.038 -1.557 763 HD12 LEU 97 2HD1 LEU 97 -0.322 0.393 -0.512 764 HD13 LEU 97 3HD1 LEU 97 -0.770 -1.301 -0.722 765 HD21 LEU 97 3HD2 LEU 97 1.654 -1.768 -1.466 766 HD22 LEU 97 1HD2 LEU 97 1.996 -0.055 -1.222 767 HD23 LEU 97 2HD2 LEU 97 2.324 -0.808 -2.783 768 H TYR 98 H TYR 98 1.682 -3.579 -5.857 769 HA TYR 98 HA TYR 98 -0.660 -4.167 -7.498 770 HB2 TYR 98 2HB TYR 98 2.156 -5.252 -7.676 771 HB3 TYR 98 3HB TYR 98 0.854 -5.592 -8.811 772 HD1 TYR 98 HD2 TYR 98 -0.216 -3.481 -9.947 773 HD2 TYR 98 HD1 TYR 98 3.629 -3.538 -8.130 774 HE1 TYR 98 HE2 TYR 98 0.438 -1.527 -11.286 775 HE2 TYR 98 HE1 TYR 98 4.294 -1.577 -9.456 776 HH TYR 98 HH TYR 98 2.152 0.387 -11.033 777 H PHE 99 H PHE 99 -2.058 -5.420 -6.459 778 HA PHE 99 HA PHE 99 -1.099 -7.776 -5.014 779 HB2 PHE 99 2HB PHE 99 -3.902 -6.678 -5.371 780 HB3 PHE 99 3HB PHE 99 -3.471 -8.060 -4.372 781 HD1 PHE 99 HD2 PHE 99 -3.357 -4.419 -4.679 782 HD2 PHE 99 HD1 PHE 99 -2.383 -7.769 -2.244 783 HE1 PHE 99 HE2 PHE 99 -2.980 -2.916 -2.768 784 HE2 PHE 99 HE1 PHE 99 -2.005 -6.274 -0.329 785 HZ PHE 99 HZ PHE 99 -2.301 -3.844 -0.589 786 H GLU 100 H GLU 100 -0.778 -9.558 -6.192 787 HA GLU 100 HA GLU 100 -2.343 -9.857 -8.661 788 HB2 GLU 100 2HB GLU 100 0.164 -9.762 -8.840 789 HB3 GLU 100 3HB GLU 100 0.227 -11.275 -7.946 790 HG2 GLU 100 2HG GLU 100 -1.009 -12.395 -9.694 791 HG3 GLU 100 3HG GLU 100 -1.181 -10.878 -10.575 792 H ASP 101 H ASP 101 -3.826 -11.331 -8.758 793 HA ASP 101 HA ASP 101 -4.238 -13.117 -6.521 794 HB2 ASP 101 2HB ASP 101 -6.249 -12.157 -7.132 795 HB3 ASP 101 3HB ASP 101 -5.856 -12.160 -8.846 796 H ASN 102 H ASN 102 -4.772 -15.382 -6.847 797 HA ASN 102 HA ASN 102 -2.710 -16.685 -8.346 798 HB2 ASN 102 2HB ASN 102 -3.402 -17.506 -6.148 799 HB3 ASN 102 3HB ASN 102 -5.027 -17.801 -6.756 800 HD21 ASN 102 1HD2 ASN 102 -5.390 -19.562 -8.124 801 HD22 ASN 102 2HD2 ASN 102 -4.247 -20.848 -8.291 802 H TRP 103 H TRP 103 -6.237 -16.446 -8.571 803 HA TRP 103 HA TRP 103 -6.534 -18.462 -10.535 804 HB2 TRP 103 2HB TRP 103 -8.400 -16.158 -9.929 805 HB3 TRP 103 3HB TRP 103 -8.816 -17.646 -10.774 806 HD1 TRP 103 HD1 TRP 103 -8.750 -16.150 -7.375 807 HE1 TRP 103 HE1 TRP 103 -9.302 -17.932 -5.599 808 HE3 TRP 103 HE3 TRP 103 -8.331 -20.347 -10.275 809 HZ2 TRP 103 HZ2 TRP 103 -9.513 -20.739 -5.446 810 HZ3 TRP 103 HZ3 TRP 103 -8.721 -22.542 -9.232 811 HH2 TRP 103 HH2 TRP 103 -9.300 -22.729 -6.867 812 H GLY 104 H GLY 104 -6.445 -14.909 -10.778 813 HA2 GLY 104 2HA GLY 104 -4.845 -14.658 -12.936 814 HA3 GLY 104 3HA GLY 104 -6.380 -15.069 -13.680 815 H ASN 105 H ASN 105 -6.614 -13.252 -10.777 816 HA ASN 105 HA ASN 105 -7.351 -10.903 -12.368 817 HB2 ASN 105 2HB ASN 105 -8.976 -11.789 -10.688 818 HB3 ASN 105 3HB ASN 105 -7.808 -11.436 -9.419 819 HD21 ASN 105 1HD2 ASN 105 -9.152 -10.004 -8.379 820 HD22 ASN 105 2HD2 ASN 105 -9.524 -8.441 -9.016 821 H LEU 106 H LEU 106 -6.595 -8.807 -11.768 822 HA LEU 106 HA LEU 106 -4.194 -8.739 -10.082 823 HB2 LEU 106 2HB LEU 106 -3.390 -8.919 -12.372 824 HB3 LEU 106 3HB LEU 106 -4.427 -7.597 -12.871 825 HG LEU 106 HG LEU 106 -3.119 -6.064 -11.424 826 HD11 LEU 106 1HD1 LEU 106 -2.290 -7.653 -9.797 827 HD12 LEU 106 2HD1 LEU 106 -0.947 -6.810 -10.573 828 HD13 LEU 106 3HD1 LEU 106 -1.343 -8.463 -11.043 829 HD21 LEU 106 3HD2 LEU 106 -1.125 -6.011 -12.853 830 HD22 LEU 106 1HD2 LEU 106 -2.608 -6.233 -13.784 831 HD23 LEU 106 2HD2 LEU 106 -1.545 -7.607 -13.475 832 H GLN 107 H GLN 107 -4.374 -7.167 -8.615 833 HA GLN 107 HA GLN 107 -6.171 -4.907 -9.228 834 HB2 GLN 107 2HB GLN 107 -5.694 -6.298 -6.585 835 HB3 GLN 107 3HB GLN 107 -6.588 -4.795 -6.758 836 HG2 GLN 107 2HG GLN 107 -7.344 -7.423 -8.018 837 HG3 GLN 107 3HG GLN 107 -8.050 -6.749 -6.552 838 HE21 GLN 107 1HE2 GLN 107 -9.396 -4.936 -6.712 839 HE22 GLN 107 2HE2 GLN 107 -10.122 -4.474 -8.210 840 H GLN 108 H GLN 108 -4.985 -3.170 -9.555 841 HA GLN 108 HA GLN 108 -2.506 -2.844 -8.023 842 HB2 GLN 108 2HB GLN 108 -1.873 -1.200 -9.788 843 HB3 GLN 108 3HB GLN 108 -2.086 -2.839 -10.388 844 HG2 GLN 108 2HG GLN 108 -4.357 -2.203 -11.160 845 HG3 GLN 108 3HG GLN 108 -4.016 -0.545 -10.665 846 HE21 GLN 108 1HE2 GLN 108 -4.643 -1.570 -13.293 847 HE22 GLN 108 2HE2 GLN 108 -3.302 -1.164 -14.310 848 H LEU 109 H LEU 109 -2.825 -1.691 -6.266 849 HA LEU 109 HA LEU 109 -4.728 0.540 -6.348 850 HB2 LEU 109 2HB LEU 109 -3.386 -0.804 -3.999 851 HB3 LEU 109 3HB LEU 109 -4.515 0.531 -3.883 852 HG LEU 109 HG LEU 109 -5.159 -2.227 -4.927 853 HD11 LEU 109 1HD1 LEU 109 -5.957 -0.851 -2.365 854 HD12 LEU 109 2HD1 LEU 109 -4.797 -2.172 -2.509 855 HD13 LEU 109 3HD1 LEU 109 -6.495 -2.445 -2.900 856 HD21 LEU 109 3HD2 LEU 109 -7.489 -1.434 -4.900 857 HD22 LEU 109 1HD2 LEU 109 -6.490 -0.547 -6.052 858 HD23 LEU 109 2HD2 LEU 109 -6.915 0.187 -4.507 859 H THR 110 H THR 110 -3.809 2.373 -6.979 860 HA THR 110 HA THR 110 -1.055 2.904 -6.137 861 HB THR 110 HB THR 110 -1.454 2.993 -8.564 862 HG1 THR 110 HG1 THR 110 0.180 4.318 -8.035 863 HG21 THR 110 3HG2 THR 110 -3.288 5.309 -7.933 864 HG22 THR 110 1HG2 THR 110 -3.788 3.736 -8.557 865 HG23 THR 110 2HG2 THR 110 -2.786 4.800 -9.545 866 H TYR 111 H TYR 111 -0.588 4.503 -4.777 867 HA TYR 111 HA TYR 111 -2.689 6.439 -4.103 868 HB2 TYR 111 2HB TYR 111 -1.067 4.842 -2.109 869 HB3 TYR 111 3HB TYR 111 -2.090 6.210 -1.695 870 HD1 TYR 111 HD1 TYR 111 -4.581 6.027 -2.210 871 HD2 TYR 111 HD2 TYR 111 -1.960 2.679 -2.221 872 HE1 TYR 111 HE1 TYR 111 -6.511 4.526 -1.960 873 HE2 TYR 111 HE2 TYR 111 -3.885 1.166 -1.980 874 HH TYR 111 HH TYR 111 -6.210 1.263 -1.138 875 H ASP 112 H ASP 112 -1.908 8.401 -4.417 876 HA ASP 112 HA ASP 112 0.943 8.908 -4.139 877 HB2 ASP 112 2HB ASP 112 0.499 11.093 -5.067 878 HB3 ASP 112 3HB ASP 112 -0.347 9.901 -6.046 879 H PHE 113 H PHE 113 1.838 10.151 -2.542 880 HA PHE 113 HA PHE 113 -0.017 11.038 -0.444 881 HB2 PHE 113 2HB PHE 113 2.636 9.667 -0.186 882 HB3 PHE 113 3HB PHE 113 2.018 10.689 1.110 883 HD1 PHE 113 HD1 PHE 113 -0.384 10.175 1.937 884 HD2 PHE 113 HD2 PHE 113 2.020 7.438 -0.277 885 HE1 PHE 113 HE1 PHE 113 -1.747 8.301 2.771 886 HE2 PHE 113 HE2 PHE 113 0.658 5.565 0.551 887 HZ PHE 113 HZ PHE 113 -1.228 5.994 2.076 888 H ASN 114 H ASN 114 0.099 12.930 0.273 889 HA ASN 114 HA ASN 114 2.024 14.769 0.641 890 HB2 ASN 114 2HB ASN 114 2.603 14.713 -1.759 891 HB3 ASN 114 3HB ASN 114 0.929 15.071 -2.178 892 HD21 ASN 114 1HD2 ASN 114 3.872 16.329 -0.794 893 HD22 ASN 114 2HD2 ASN 114 3.455 17.999 -0.927 894 H GLY 115 H GLY 115 -1.111 14.017 -0.609 895 HA2 GLY 115 2HA GLY 115 -2.982 14.603 0.879 896 HA3 GLY 115 3HA GLY 115 -2.259 16.200 1.013 897 H LYS 116 H LYS 116 -1.730 15.240 -2.054 898 HA LYS 116 HA LYS 116 -2.512 15.886 -4.066 899 HB2 LYS 116 2HB LYS 116 -5.121 15.572 -2.609 900 HB3 LYS 116 3HB LYS 116 -5.076 16.176 -4.258 901 HG2 LYS 116 2HG LYS 116 -4.038 14.136 -5.023 902 HG3 LYS 116 3HG LYS 116 -3.937 13.534 -3.368 903 HD2 LYS 116 2HD LYS 116 -6.260 13.274 -3.202 904 HD3 LYS 116 3HD LYS 116 -6.561 14.305 -4.600 905 HE2 LYS 116 2HE LYS 116 -6.952 11.981 -5.162 906 HE3 LYS 116 3HE LYS 116 -5.573 12.609 -6.058 907 HZ1 LYS 116 3HZ LYS 116 -5.301 10.333 -5.099 908 HZ2 LYS 116 1HZ LYS 116 -5.283 11.035 -3.558 909 HZ3 LYS 116 2HZ LYS 116 -4.078 11.424 -4.687 910 H LEU 117 H LEU 117 -3.135 17.768 -5.247 911 HA LEU 117 HA LEU 117 -2.747 20.147 -3.648 912 HB2 LEU 117 2HB LEU 117 -2.855 19.659 -6.613 913 HB3 LEU 117 3HB LEU 117 -2.834 21.279 -5.950 914 HG LEU 117 HG LEU 117 -0.608 20.738 -6.598 915 HD11 LEU 117 1HD1 LEU 117 -0.805 21.976 -4.521 916 HD12 LEU 117 2HD1 LEU 117 0.601 20.911 -4.479 917 HD13 LEU 117 3HD1 LEU 117 -0.867 20.468 -3.609 918 HD21 LEU 117 3HD2 LEU 117 -0.856 18.247 -4.917 919 HD22 LEU 117 1HD2 LEU 117 0.606 18.802 -5.734 920 HD23 LEU 117 2HD2 LEU 117 -0.801 18.312 -6.677 921 H GLU 118 H GLU 118 -4.777 19.836 -2.543 922 HA GLU 118 HA GLU 118 -6.973 21.190 -3.957 923 HB2 GLU 118 2HB GLU 118 -7.109 18.564 -3.304 924 HB3 GLU 118 3HB GLU 118 -7.641 19.265 -1.786 925 HG2 GLU 118 2HG GLU 118 -8.908 19.798 -4.468 926 HG3 GLU 118 3HG GLU 118 -9.492 18.636 -3.279 927 H HIS 119 H HIS 119 -8.373 22.400 -2.447 928 HA HIS 119 HA HIS 119 -6.783 23.794 -0.513 929 HB2 HIS 119 2HB HIS 119 -9.726 23.983 -1.183 930 HB3 HIS 119 3HB HIS 119 -8.900 25.053 -0.055 931 HD1 HIS 119 HD1 HIS 119 -7.057 26.649 -1.109 932 HD2 HIS 119 HD2 HIS 119 -9.501 24.667 -3.827 933 HE1 HIS 119 HE1 HIS 119 -6.756 27.856 -3.296 934 HE2 HIS 119 HE2 HIS 119 -8.380 26.751 -4.875 935 H HIS 120 H HIS 120 -8.941 21.132 -0.461 936 HA HIS 120 HA HIS 120 -10.260 20.198 1.150 937 HB2 HIS 120 2HB HIS 120 -8.973 18.872 2.686 938 HB3 HIS 120 3HB HIS 120 -8.143 18.941 1.146 939 HD1 HIS 120 HD1 HIS 120 -7.390 18.861 4.545 940 HD2 HIS 120 HD2 HIS 120 -6.014 21.194 1.390 941 HE1 HIS 120 HE1 HIS 120 -5.147 19.724 5.273 942 HE2 HIS 120 HE2 HIS 120 -4.273 21.020 3.298 943 H HIS 121 H HIS 121 -11.229 22.321 1.504 944 HA HIS 121 HA HIS 121 -10.653 24.010 3.642 945 HB2 HIS 121 2HB HIS 121 -12.321 24.282 1.695 946 HB3 HIS 121 3HB HIS 121 -13.449 23.389 2.702 947 HD1 HIS 121 HD1 HIS 121 -14.547 25.942 2.108 948 HD2 HIS 121 HD2 HIS 121 -11.704 25.602 5.125 949 HE1 HIS 121 HE1 HIS 121 -14.841 27.979 3.551 950 HE2 HIS 121 HE2 HIS 121 -13.212 27.688 5.443 951 H HIS 122 H HIS 122 -12.503 21.041 3.481 952 HA HIS 122 HA HIS 122 -12.131 20.763 6.363 953 HB2 HIS 122 2HB HIS 122 -14.376 19.866 6.698 954 HB3 HIS 122 3HB HIS 122 -14.485 21.493 6.044 955 HD1 HIS 122 HD1 HIS 122 -15.628 21.778 3.765 956 HD2 HIS 122 HD2 HIS 122 -15.215 17.808 4.940 957 HE1 HIS 122 HE1 HIS 122 -17.046 20.444 2.174 958 HE2 HIS 122 HE2 HIS 122 -16.866 18.061 2.969 959 H HIS 123 H HIS 123 -12.198 18.459 7.023 960 HA HIS 123 HA HIS 123 -10.676 16.898 5.229 961 HB2 HIS 123 2HB HIS 123 -10.603 16.722 7.731 962 HB3 HIS 123 3HB HIS 123 -12.163 15.907 7.668 963 HD1 HIS 123 HD1 HIS 123 -8.672 15.433 6.186 964 HD2 HIS 123 HD2 HIS 123 -11.943 13.208 7.497 965 HE1 HIS 123 HE1 HIS 123 -7.965 13.024 6.039 966 HE2 HIS 123 HE2 HIS 123 -10.008 11.697 6.666 967 H HIS 124 H HIS 124 -11.378 15.967 3.476 968 HA HIS 124 HA HIS 124 -12.594 14.797 1.971 969 HB2 HIS 124 2HB HIS 124 -12.836 13.165 3.881 970 HB3 HIS 124 3HB HIS 124 -14.371 13.938 4.264 971 HD1 HIS 124 HD1 HIS 124 -16.356 13.513 2.636 972 HD2 HIS 124 HD2 HIS 124 -12.851 11.496 1.659 973 HE1 HIS 124 HE1 HIS 124 -17.013 11.794 0.922 974 HE2 HIS 124 HE2 HIS 124 -14.850 10.689 0.235 Start of MODEL 3 1 H1 MET 1 1H MET 1 -30.099 11.730 -20.320 2 H2 MET 1 2H MET 1 -28.487 11.261 -20.076 3 H3 MET 1 3H MET 1 -29.460 11.667 -18.748 4 HA MET 1 HA MET 1 -30.894 9.784 -19.196 5 HB2 MET 1 2HB MET 1 -30.495 9.644 -21.616 6 HB3 MET 1 3HB MET 1 -28.830 9.163 -21.323 7 HG2 MET 1 2HG MET 1 -29.559 7.098 -20.319 8 HG3 MET 1 3HG MET 1 -31.246 7.589 -20.460 9 HE1 MET 1 3HE MET 1 -30.057 4.791 -21.529 10 HE2 MET 1 1HE MET 1 -30.901 4.662 -23.072 11 HE3 MET 1 2HE MET 1 -31.758 5.242 -21.643 12 H ASN 2 H ASN 2 -30.579 8.147 -17.792 13 HA ASN 2 HA ASN 2 -28.245 8.225 -16.178 14 HB2 ASN 2 2HB ASN 2 -29.275 6.492 -14.863 15 HB3 ASN 2 3HB ASN 2 -30.530 7.624 -15.347 16 HD21 ASN 2 1HD2 ASN 2 -29.318 4.401 -15.621 17 HD22 ASN 2 2HD2 ASN 2 -30.665 3.748 -16.487 18 H GLU 3 H GLU 3 -26.813 6.481 -15.716 19 HA GLU 3 HA GLU 3 -26.044 4.995 -18.095 20 HB2 GLU 3 2HB GLU 3 -24.040 4.397 -16.663 21 HB3 GLU 3 3HB GLU 3 -24.232 6.107 -17.023 22 HG2 GLU 3 2HG GLU 3 -25.274 6.418 -14.809 23 HG3 GLU 3 3HG GLU 3 -24.955 4.724 -14.452 24 H LEU 4 H LEU 4 -25.370 2.680 -17.788 25 HA LEU 4 HA LEU 4 -27.478 1.342 -16.254 26 HB2 LEU 4 2HB LEU 4 -25.826 0.459 -18.609 27 HB3 LEU 4 3HB LEU 4 -26.796 -0.665 -17.680 28 HG LEU 4 HG LEU 4 -28.802 0.784 -18.239 29 HD11 LEU 4 1HD1 LEU 4 -27.636 2.814 -18.872 30 HD12 LEU 4 2HD1 LEU 4 -28.619 2.220 -20.210 31 HD13 LEU 4 3HD1 LEU 4 -26.872 1.975 -20.221 32 HD21 LEU 4 3HD2 LEU 4 -29.057 -0.169 -20.475 33 HD22 LEU 4 1HD2 LEU 4 -28.386 -1.341 -19.341 34 HD23 LEU 4 2HD2 LEU 4 -27.333 -0.543 -20.512 35 H ASP 5 H ASP 5 -26.831 0.888 -14.283 36 HA ASP 5 HA ASP 5 -24.091 -0.044 -13.804 37 HB2 ASP 5 2HB ASP 5 -24.512 0.461 -11.457 38 HB3 ASP 5 3HB ASP 5 -24.922 1.857 -12.447 39 H ILE 6 H ILE 6 -26.411 -1.590 -14.922 40 HA ILE 6 HA ILE 6 -27.295 -3.401 -12.897 41 HB ILE 6 HB ILE 6 -28.636 -2.777 -14.898 42 HG12 ILE 6 2HG1 ILE 6 -28.120 -5.752 -14.703 43 HG13 ILE 6 3HG1 ILE 6 -29.112 -4.836 -13.574 44 HG21 ILE 6 1HG2 ILE 6 -28.165 -3.875 -17.041 45 HG22 ILE 6 2HG2 ILE 6 -26.668 -4.521 -16.370 46 HG23 ILE 6 3HG2 ILE 6 -26.871 -2.780 -16.561 47 HD11 ILE 6 3HD1 ILE 6 -30.657 -4.280 -15.368 48 HD12 ILE 6 1HD1 ILE 6 -30.465 -6.025 -15.211 49 HD13 ILE 6 2HD1 ILE 6 -29.651 -5.162 -16.517 50 H GLN 7 H GLN 7 -24.354 -3.133 -14.340 51 HA GLN 7 HA GLN 7 -23.698 -5.869 -13.606 52 HB2 GLN 7 2HB GLN 7 -24.140 -5.917 -16.054 53 HB3 GLN 7 3HB GLN 7 -22.876 -4.717 -16.277 54 HG2 GLN 7 2HG GLN 7 -21.195 -6.223 -15.550 55 HG3 GLN 7 3HG GLN 7 -22.394 -7.393 -15.006 56 HE21 GLN 7 1HE2 GLN 7 -22.718 -5.641 -18.011 57 HE22 GLN 7 2HE2 GLN 7 -22.431 -6.998 -19.050 58 H GLN 8 H GLN 8 -21.901 -5.918 -12.435 59 HA GLN 8 HA GLN 8 -19.985 -3.707 -12.675 60 HB2 GLN 8 2HB GLN 8 -19.848 -3.659 -10.156 61 HB3 GLN 8 3HB GLN 8 -21.341 -3.030 -10.840 62 HG2 GLN 8 2HG GLN 8 -22.524 -5.028 -10.265 63 HG3 GLN 8 3HG GLN 8 -21.031 -5.824 -9.770 64 HE21 GLN 8 1HE2 GLN 8 -20.075 -5.255 -7.832 65 HE22 GLN 8 2HE2 GLN 8 -20.932 -4.409 -6.591 66 H GLU 9 H GLU 9 -20.622 -6.893 -11.252 67 HA GLU 9 HA GLU 9 -19.338 -8.720 -10.879 68 HB2 GLU 9 2HB GLU 9 -17.249 -7.274 -12.513 69 HB3 GLU 9 3HB GLU 9 -17.124 -8.940 -11.969 70 HG2 GLU 9 2HG GLU 9 -19.058 -9.542 -13.303 71 HG3 GLU 9 3HG GLU 9 -19.242 -7.864 -13.817 72 H TYR 10 H TYR 10 -18.100 -9.386 -9.169 73 HA TYR 10 HA TYR 10 -16.067 -7.726 -8.044 74 HB2 TYR 10 2HB TYR 10 -17.135 -7.375 -5.844 75 HB3 TYR 10 3HB TYR 10 -17.976 -6.534 -7.137 76 HD1 TYR 10 HD2 TYR 10 -20.108 -7.672 -8.079 77 HD2 TYR 10 HD1 TYR 10 -18.297 -8.768 -4.390 78 HE1 TYR 10 HE2 TYR 10 -22.218 -8.709 -7.357 79 HE2 TYR 10 HE1 TYR 10 -20.401 -9.803 -3.659 80 HH TYR 10 HH TYR 10 -22.966 -10.455 -5.760 81 HA PRO 11 HA PRO 11 -15.144 -11.967 -6.809 82 HB2 PRO 11 2HB PRO 11 -12.390 -11.098 -6.728 83 HB3 PRO 11 3HB PRO 11 -13.146 -12.235 -7.842 84 HG2 PRO 11 2HG PRO 11 -12.206 -9.773 -8.580 85 HG3 PRO 11 3HG PRO 11 -13.499 -10.634 -9.434 86 HD2 PRO 11 2HD PRO 11 -13.690 -8.401 -7.450 87 HD3 PRO 11 3HD PRO 11 -14.635 -8.680 -8.930 88 H PHE 12 H PHE 12 -13.978 -8.912 -5.541 89 HA PHE 12 HA PHE 12 -14.382 -9.790 -2.834 90 HB2 PHE 12 2HB PHE 12 -12.070 -9.158 -2.109 91 HB3 PHE 12 3HB PHE 12 -12.129 -10.610 -3.101 92 HD1 PHE 12 HD1 PHE 12 -11.083 -7.106 -2.949 93 HD2 PHE 12 HD2 PHE 12 -11.167 -10.644 -5.314 94 HE1 PHE 12 HE1 PHE 12 -9.390 -6.140 -4.451 95 HE2 PHE 12 HE2 PHE 12 -9.478 -9.682 -6.820 96 HZ PHE 12 HZ PHE 12 -8.585 -7.428 -6.389 97 H THR 13 H THR 13 -14.117 -7.990 -1.303 98 HA THR 13 HA THR 13 -14.518 -5.391 -2.639 99 HB THR 13 HB THR 13 -15.558 -6.270 0.068 100 HG1 THR 13 HG1 THR 13 -16.439 -6.941 -2.299 101 HG21 THR 13 3HG2 THR 13 -16.920 -4.236 -0.043 102 HG22 THR 13 1HG2 THR 13 -16.172 -3.807 -1.581 103 HG23 THR 13 2HG2 THR 13 -15.202 -3.845 -0.109 104 H VAL 14 H VAL 14 -13.197 -3.741 -2.084 105 HA VAL 14 HA VAL 14 -11.027 -4.357 -0.224 106 HB VAL 14 HB VAL 14 -11.223 -2.109 -2.238 107 HG11 VAL 14 1HG1 VAL 14 -9.741 -1.550 -0.399 108 HG12 VAL 14 2HG1 VAL 14 -8.799 -1.880 -1.853 109 HG13 VAL 14 3HG1 VAL 14 -8.902 -3.093 -0.578 110 HG21 VAL 14 3HG2 VAL 14 -9.621 -3.423 -3.558 111 HG22 VAL 14 1HG2 VAL 14 -11.149 -4.279 -3.343 112 HG23 VAL 14 2HG2 VAL 14 -9.741 -4.734 -2.384 113 H GLU 15 H GLU 15 -11.250 -3.662 1.781 114 HA GLU 15 HA GLU 15 -12.656 -1.126 2.280 115 HB2 GLU 15 2HB GLU 15 -11.909 -3.336 4.215 116 HB3 GLU 15 3HB GLU 15 -12.832 -1.892 4.610 117 HG2 GLU 15 2HG GLU 15 -14.609 -2.622 3.086 118 HG3 GLU 15 3HG GLU 15 -13.688 -4.084 2.733 119 H SER 16 H SER 16 -11.607 0.508 3.457 120 HA SER 16 HA SER 16 -8.917 0.109 4.401 121 HB2 SER 16 2HB SER 16 -8.584 0.361 1.946 122 HB3 SER 16 3HB SER 16 -9.362 1.941 2.030 123 HG SER 16 HG SER 16 -7.087 1.269 3.576 124 H MET 17 H MET 17 -8.143 1.823 5.633 125 HA MET 17 HA MET 17 -10.160 3.709 6.554 126 HB2 MET 17 2HB MET 17 -8.802 2.499 8.213 127 HB3 MET 17 3HB MET 17 -7.338 3.178 7.520 128 HG2 MET 17 2HG MET 17 -7.911 4.350 9.539 129 HG3 MET 17 3HG MET 17 -8.091 5.422 8.154 130 HE1 MET 17 3HE MET 17 -9.477 7.106 9.696 131 HE2 MET 17 1HE MET 17 -9.315 6.006 11.066 132 HE3 MET 17 2HE MET 17 -10.903 6.632 10.618 133 HA PRO 18 HA PRO 18 -9.050 6.841 3.597 134 HB2 PRO 18 2HB PRO 18 -9.670 8.531 5.992 135 HB3 PRO 18 3HB PRO 18 -10.176 8.736 4.309 136 HG2 PRO 18 2HG PRO 18 -11.842 7.710 6.116 137 HG3 PRO 18 3HG PRO 18 -11.794 7.087 4.459 138 HD2 PRO 18 2HD PRO 18 -10.799 5.862 6.965 139 HD3 PRO 18 3HD PRO 18 -11.359 5.084 5.471 140 H VAL 19 H VAL 19 -7.064 7.421 3.067 141 HA VAL 19 HA VAL 19 -5.034 7.601 5.142 142 HB VAL 19 HB VAL 19 -3.413 7.610 3.291 143 HG11 VAL 19 1HG1 VAL 19 -4.124 5.485 4.218 144 HG12 VAL 19 2HG1 VAL 19 -3.838 5.332 2.486 145 HG13 VAL 19 3HG1 VAL 19 -5.487 5.431 3.101 146 HG21 VAL 19 3HG2 VAL 19 -4.722 8.791 1.615 147 HG22 VAL 19 1HG2 VAL 19 -5.844 7.434 1.512 148 HG23 VAL 19 2HG2 VAL 19 -4.172 7.239 0.987 149 H ALA 20 H ALA 20 -3.207 9.256 4.507 150 HA ALA 20 HA ALA 20 -4.515 11.858 4.586 151 HB1 ALA 20 3HB ALA 20 -1.642 11.121 5.135 152 HB2 ALA 20 1HB ALA 20 -2.904 11.315 6.349 153 HB3 ALA 20 2HB ALA 20 -2.377 12.701 5.394 154 H ASP 21 H ASP 21 -4.925 12.590 2.601 155 HA ASP 21 HA ASP 21 -3.354 12.266 0.292 156 HB2 ASP 21 2HB ASP 21 -5.628 12.964 0.045 157 HB3 ASP 21 3HB ASP 21 -5.390 14.348 1.102 158 H GLU 22 H GLU 22 -3.251 14.515 2.924 159 HA GLU 22 HA GLU 22 -1.301 16.235 1.650 160 HB2 GLU 22 2HB GLU 22 -1.463 17.472 3.857 161 HB3 GLU 22 3HB GLU 22 -2.945 17.384 2.915 162 HG2 GLU 22 2HG GLU 22 -3.752 15.569 4.318 163 HG3 GLU 22 3HG GLU 22 -2.252 15.607 5.245 164 H ILE 23 H ILE 23 0.637 15.207 1.501 165 HA ILE 23 HA ILE 23 1.893 14.523 4.075 166 HB ILE 23 HB ILE 23 2.224 13.046 1.465 167 HG12 ILE 23 2HG1 ILE 23 1.327 12.257 4.244 168 HG13 ILE 23 3HG1 ILE 23 0.360 12.266 2.772 169 HG21 ILE 23 1HG2 ILE 23 4.434 13.419 2.401 170 HG22 ILE 23 2HG2 ILE 23 3.973 11.727 2.590 171 HG23 ILE 23 3HG2 ILE 23 3.893 12.823 3.970 172 HD11 ILE 23 3HD1 ILE 23 2.701 10.454 3.316 173 HD12 ILE 23 1HD1 ILE 23 1.683 10.440 1.876 174 HD13 ILE 23 2HD1 ILE 23 0.997 10.010 3.444 175 H ALA 24 H ALA 24 3.362 15.953 4.529 176 HA ALA 24 HA ALA 24 4.547 17.628 2.477 177 HB1 ALA 24 3HB ALA 24 5.456 18.873 4.402 178 HB2 ALA 24 1HB ALA 24 4.772 17.657 5.485 179 HB3 ALA 24 2HB ALA 24 3.707 18.660 4.495 180 H GLY 25 H GLY 25 5.298 14.658 3.221 181 HA2 GLY 25 2HA GLY 25 7.279 13.469 2.930 182 HA3 GLY 25 3HA GLY 25 8.150 14.998 2.858 183 H ASP 26 H ASP 26 9.194 12.897 4.276 184 HA ASP 26 HA ASP 26 10.158 12.390 6.267 185 HB2 ASP 26 2HB ASP 26 8.911 14.993 7.166 186 HB3 ASP 26 3HB ASP 26 9.964 14.012 8.177 187 H GLU 27 H GLU 27 6.874 13.597 6.704 188 HA GLU 27 HA GLU 27 6.185 12.218 9.012 189 HB2 GLU 27 2HB GLU 27 4.858 14.047 8.166 190 HB3 GLU 27 3HB GLU 27 4.485 13.165 6.694 191 HG2 GLU 27 2HG GLU 27 2.571 13.114 8.104 192 HG3 GLU 27 3HG GLU 27 3.268 11.495 8.088 193 H THR 28 H THR 28 5.127 10.321 9.432 194 HA THR 28 HA THR 28 5.157 8.300 7.285 195 HB THR 28 HB THR 28 5.370 7.885 10.279 196 HG1 THR 28 HG1 THR 28 7.321 8.645 9.539 197 HG21 THR 28 3HG2 THR 28 5.583 5.892 8.016 198 HG22 THR 28 1HG2 THR 28 4.236 6.022 9.149 199 HG23 THR 28 2HG2 THR 28 5.835 5.546 9.727 200 H VAL 29 H VAL 29 3.238 7.483 6.691 201 HA VAL 29 HA VAL 29 0.951 7.886 8.507 202 HB VAL 29 HB VAL 29 -0.506 7.782 6.502 203 HG11 VAL 29 1HG1 VAL 29 1.618 9.922 6.414 204 HG12 VAL 29 2HG1 VAL 29 0.161 9.943 7.406 205 HG13 VAL 29 3HG1 VAL 29 0.033 10.019 5.649 206 HG21 VAL 29 3HG2 VAL 29 0.471 8.007 4.271 207 HG22 VAL 29 1HG2 VAL 29 0.982 6.502 5.038 208 HG23 VAL 29 2HG2 VAL 29 2.088 7.874 4.962 209 H GLU 30 H GLU 30 -0.559 6.201 8.729 210 HA GLU 30 HA GLU 30 0.530 3.579 7.972 211 HB2 GLU 30 2HB GLU 30 -0.743 2.667 9.894 212 HB3 GLU 30 3HB GLU 30 0.476 3.840 10.365 213 HG2 GLU 30 2HG GLU 30 -1.354 5.556 10.460 214 HG3 GLU 30 3HG GLU 30 -2.500 4.236 10.240 215 H ILE 31 H ILE 31 -0.478 2.565 6.443 216 HA ILE 31 HA ILE 31 -3.181 3.394 5.700 217 HB ILE 31 HB ILE 31 -1.243 1.610 4.213 218 HG12 ILE 31 2HG1 ILE 31 -1.934 4.522 3.745 219 HG13 ILE 31 3HG1 ILE 31 -0.435 3.945 4.468 220 HG21 ILE 31 1HG2 ILE 31 -2.723 1.994 2.290 221 HG22 ILE 31 2HG2 ILE 31 -3.829 2.890 3.331 222 HG23 ILE 31 3HG2 ILE 31 -3.552 1.170 3.610 223 HD11 ILE 31 3HD1 ILE 31 0.118 2.795 2.383 224 HD12 ILE 31 1HD1 ILE 31 -0.115 4.525 2.138 225 HD13 ILE 31 2HD1 ILE 31 -1.378 3.389 1.662 226 H ARG 32 H ARG 32 -4.716 2.297 6.762 227 HA ARG 32 HA ARG 32 -4.413 -0.526 7.352 228 HB2 ARG 32 2HB ARG 32 -5.538 0.793 9.025 229 HB3 ARG 32 3HB ARG 32 -6.660 1.436 7.836 230 HG2 ARG 32 2HG ARG 32 -7.607 -0.807 7.528 231 HG3 ARG 32 3HG ARG 32 -6.507 -1.423 8.765 232 HD2 ARG 32 2HD ARG 32 -7.574 -0.234 10.469 233 HD3 ARG 32 3HD ARG 32 -8.369 0.856 9.332 234 HE ARG 32 HE ARG 32 -9.130 -1.950 9.162 235 HH11 ARG 32 1HH1 ARG 32 -9.821 1.165 10.604 236 HH12 ARG 32 2HH1 ARG 32 -11.535 0.879 10.713 237 HH21 ARG 32 1HH2 ARG 32 -11.362 -2.352 9.330 238 HH22 ARG 32 2HH2 ARG 32 -12.402 -1.145 10.022 239 H LEU 33 H LEU 33 -4.695 -1.927 5.758 240 HA LEU 33 HA LEU 33 -6.833 -1.396 3.805 241 HB2 LEU 33 2HB LEU 33 -4.510 -1.178 2.903 242 HB3 LEU 33 3HB LEU 33 -4.247 -2.866 3.302 243 HG LEU 33 HG LEU 33 -6.012 -3.519 1.727 244 HD11 LEU 33 1HD1 LEU 33 -6.933 -1.854 0.179 245 HD12 LEU 33 2HD1 LEU 33 -6.143 -0.573 1.100 246 HD13 LEU 33 3HD1 LEU 33 -7.412 -1.543 1.848 247 HD21 LEU 33 3HD2 LEU 33 -3.910 -1.708 0.543 248 HD22 LEU 33 1HD2 LEU 33 -4.797 -2.965 -0.318 249 HD23 LEU 33 2HD2 LEU 33 -3.693 -3.402 0.984 250 H GLU 34 H GLU 34 -8.318 -2.947 3.549 251 HA GLU 34 HA GLU 34 -7.796 -5.605 4.704 252 HB2 GLU 34 2HB GLU 34 -10.405 -4.122 5.051 253 HB3 GLU 34 3HB GLU 34 -9.905 -5.619 5.830 254 HG2 GLU 34 2HG GLU 34 -8.207 -4.414 7.088 255 HG3 GLU 34 3HG GLU 34 -8.668 -2.914 6.286 256 H ILE 35 H ILE 35 -7.950 -6.970 3.024 257 HA ILE 35 HA ILE 35 -9.893 -6.386 0.908 258 HB ILE 35 HB ILE 35 -7.710 -8.481 1.012 259 HG12 ILE 35 2HG1 ILE 35 -6.877 -7.053 -0.983 260 HG13 ILE 35 3HG1 ILE 35 -7.933 -5.799 -0.345 261 HG21 ILE 35 1HG2 ILE 35 -9.590 -9.277 -0.295 262 HG22 ILE 35 2HG2 ILE 35 -8.238 -8.877 -1.353 263 HG23 ILE 35 3HG2 ILE 35 -9.610 -7.775 -1.222 264 HD11 ILE 35 3HD1 ILE 35 -5.644 -7.100 1.110 265 HD12 ILE 35 1HD1 ILE 35 -6.704 -5.854 1.769 266 HD13 ILE 35 2HD1 ILE 35 -5.652 -5.484 0.401 267 H LYS 36 H LYS 36 -11.811 -7.374 0.882 268 HA LYS 36 HA LYS 36 -12.103 -9.813 2.512 269 HB2 LYS 36 2HB LYS 36 -13.286 -7.837 3.415 270 HB3 LYS 36 3HB LYS 36 -14.193 -7.716 1.915 271 HG2 LYS 36 2HG LYS 36 -15.355 -9.723 2.340 272 HG3 LYS 36 3HG LYS 36 -14.257 -10.165 3.647 273 HD2 LYS 36 2HD LYS 36 -15.861 -7.643 3.810 274 HD3 LYS 36 3HD LYS 36 -16.599 -9.191 4.213 275 HE2 LYS 36 2HE LYS 36 -15.772 -8.132 6.222 276 HE3 LYS 36 3HE LYS 36 -14.832 -9.581 5.883 277 HZ1 LYS 36 3HZ LYS 36 -13.454 -7.702 6.583 278 HZ2 LYS 36 1HZ LYS 36 -13.972 -6.802 5.237 279 HZ3 LYS 36 2HZ LYS 36 -13.056 -8.220 5.021 280 HA PRO 37 HA PRO 37 -12.920 -11.399 -1.646 281 HB2 PRO 37 2HB PRO 37 -12.603 -13.999 -0.339 282 HB3 PRO 37 3HB PRO 37 -11.655 -13.285 -1.645 283 HG2 PRO 37 2HG PRO 37 -10.666 -13.621 0.845 284 HG3 PRO 37 3HG PRO 37 -10.181 -12.274 -0.202 285 HD2 PRO 37 2HD PRO 37 -12.129 -12.299 2.077 286 HD3 PRO 37 3HD PRO 37 -10.907 -11.078 1.652 287 H SER 38 H SER 38 -14.857 -11.938 -2.477 288 HA SER 38 HA SER 38 -16.993 -12.637 -0.602 289 HB2 SER 38 2HB SER 38 -17.144 -11.815 -3.515 290 HB3 SER 38 3HB SER 38 -18.514 -12.013 -2.420 291 HG SER 38 HG SER 38 -16.690 -10.386 -1.309 292 H GLY 39 H GLY 39 -14.822 -14.319 -2.269 293 HA2 GLY 39 2HA GLY 39 -16.679 -16.567 -2.677 294 HA3 GLY 39 3HA GLY 39 -15.461 -16.187 -3.888 295 H ASN 40 H ASN 40 -15.351 -18.665 -2.971 296 HA ASN 40 HA ASN 40 -13.617 -18.892 -0.679 297 HB2 ASN 40 2HB ASN 40 -14.528 -20.919 -2.727 298 HB3 ASN 40 3HB ASN 40 -13.480 -21.311 -1.370 299 HD21 ASN 40 1HD2 ASN 40 -16.090 -22.349 -1.981 300 HD22 ASN 40 2HD2 ASN 40 -17.107 -21.975 -0.629 301 H PHE 41 H PHE 41 -11.671 -20.611 -1.246 302 HA PHE 41 HA PHE 41 -10.011 -19.033 -3.100 303 HB2 PHE 41 2HB PHE 41 -9.074 -20.721 -0.770 304 HB3 PHE 41 3HB PHE 41 -8.105 -19.607 -1.730 305 HD1 PHE 41 HD1 PHE 41 -8.957 -17.124 -1.746 306 HD2 PHE 41 HD2 PHE 41 -9.944 -20.000 1.229 307 HE1 PHE 41 HE1 PHE 41 -9.503 -15.310 -0.177 308 HE2 PHE 41 HE2 PHE 41 -10.490 -18.194 2.806 309 HZ PHE 41 HZ PHE 41 -10.270 -15.842 2.101 310 H ILE 42 H ILE 42 -8.570 -20.092 -4.479 311 HA ILE 42 HA ILE 42 -9.109 -22.963 -4.900 312 HB ILE 42 HB ILE 42 -8.671 -22.562 -7.314 313 HG12 ILE 42 2HG1 ILE 42 -8.814 -19.632 -6.570 314 HG13 ILE 42 3HG1 ILE 42 -7.342 -20.481 -7.030 315 HG21 ILE 42 1HG2 ILE 42 -10.946 -22.681 -6.510 316 HG22 ILE 42 2HG2 ILE 42 -10.820 -21.498 -7.811 317 HG23 ILE 42 3HG2 ILE 42 -10.928 -20.958 -6.136 318 HD11 ILE 42 3HD1 ILE 42 -9.758 -20.027 -8.768 319 HD12 ILE 42 1HD1 ILE 42 -8.325 -20.941 -9.234 320 HD13 ILE 42 2HD1 ILE 42 -8.196 -19.216 -8.895 321 H GLY 43 H GLY 43 -7.116 -23.283 -6.926 322 HA2 GLY 43 2HA GLY 43 -4.737 -23.506 -5.349 323 HA3 GLY 43 3HA GLY 43 -4.894 -23.885 -7.058 324 H THR 44 H THR 44 -5.117 -20.980 -5.040 325 HA THR 44 HA THR 44 -3.563 -19.505 -7.039 326 HB THR 44 HB THR 44 -4.478 -17.589 -5.369 327 HG1 THR 44 HG1 THR 44 -6.424 -18.157 -4.504 328 HG21 THR 44 3HG2 THR 44 -6.301 -17.230 -6.964 329 HG22 THR 44 1HG2 THR 44 -6.082 -18.863 -7.591 330 HG23 THR 44 2HG2 THR 44 -4.809 -17.661 -7.799 331 H VAL 45 H VAL 45 -1.955 -17.961 -6.256 332 HA VAL 45 HA VAL 45 -0.511 -19.074 -3.958 333 HB VAL 45 HB VAL 45 0.511 -17.237 -6.133 334 HG11 VAL 45 1HG1 VAL 45 2.725 -17.769 -5.275 335 HG12 VAL 45 2HG1 VAL 45 2.009 -18.752 -3.999 336 HG13 VAL 45 3HG1 VAL 45 1.739 -17.009 -4.029 337 HG21 VAL 45 3HG2 VAL 45 1.676 -19.218 -6.980 338 HG22 VAL 45 1HG2 VAL 45 -0.074 -19.426 -7.015 339 HG23 VAL 45 2HG2 VAL 45 0.880 -20.205 -5.753 340 H TYR 46 H TYR 46 -1.602 -16.030 -5.340 341 HA TYR 46 HA TYR 46 -2.075 -14.001 -4.471 342 HB2 TYR 46 2HB TYR 46 -1.763 -15.306 -1.757 343 HB3 TYR 46 3HB TYR 46 -2.476 -13.725 -2.071 344 HD1 TYR 46 HD2 TYR 46 -4.320 -13.976 -4.150 345 HD2 TYR 46 HD1 TYR 46 -3.328 -16.901 -1.222 346 HE1 TYR 46 HE2 TYR 46 -6.507 -15.044 -4.483 347 HE2 TYR 46 HE1 TYR 46 -5.514 -17.976 -1.551 348 HH TYR 46 HH TYR 46 -7.768 -17.349 -2.378 349 H THR 47 H THR 47 -0.640 -12.524 -4.867 350 HA THR 47 HA THR 47 1.780 -12.361 -3.229 351 HB THR 47 HB THR 47 1.837 -12.261 -6.258 352 HG1 THR 47 HG1 THR 47 1.952 -14.349 -4.514 353 HG21 THR 47 3HG2 THR 47 3.540 -10.859 -5.144 354 HG22 THR 47 1HG2 THR 47 4.262 -12.221 -6.002 355 HG23 THR 47 2HG2 THR 47 4.097 -12.273 -4.247 356 H LEU 48 H LEU 48 2.448 -10.282 -2.864 357 HA LEU 48 HA LEU 48 1.070 -8.154 -4.359 358 HB2 LEU 48 2HB LEU 48 0.099 -8.278 -2.132 359 HB3 LEU 48 3HB LEU 48 1.689 -8.226 -1.401 360 HG LEU 48 HG LEU 48 1.995 -5.923 -2.122 361 HD11 LEU 48 1HD1 LEU 48 -0.757 -6.160 -3.329 362 HD12 LEU 48 2HD1 LEU 48 0.756 -6.023 -4.223 363 HD13 LEU 48 3HD1 LEU 48 0.204 -4.684 -3.217 364 HD21 LEU 48 3HD2 LEU 48 0.285 -4.866 -0.751 365 HD22 LEU 48 1HD2 LEU 48 0.868 -6.345 0.009 366 HD23 LEU 48 2HD2 LEU 48 -0.692 -6.333 -0.815 367 H ARG 49 H ARG 49 2.505 -7.089 -5.529 368 HA ARG 49 HA ARG 49 5.255 -6.897 -4.514 369 HB2 ARG 49 2HB ARG 49 6.009 -6.609 -6.776 370 HB3 ARG 49 3HB ARG 49 4.975 -8.028 -6.715 371 HG2 ARG 49 2HG ARG 49 3.118 -6.646 -7.602 372 HG3 ARG 49 3HG ARG 49 4.254 -5.306 -7.767 373 HD2 ARG 49 2HD ARG 49 4.033 -6.402 -9.896 374 HD3 ARG 49 3HD ARG 49 5.642 -6.726 -9.252 375 HE ARG 49 HE ARG 49 3.586 -8.738 -8.736 376 HH11 ARG 49 1HH1 ARG 49 6.362 -7.757 -10.655 377 HH12 ARG 49 2HH1 ARG 49 6.611 -9.338 -11.326 378 HH21 ARG 49 1HH2 ARG 49 3.898 -10.789 -9.618 379 HH22 ARG 49 2HH2 ARG 49 5.220 -11.072 -10.711 380 H TYR 50 H TYR 50 6.261 -4.948 -4.346 381 HA TYR 50 HA TYR 50 4.460 -2.620 -4.477 382 HB2 TYR 50 2HB TYR 50 6.920 -3.036 -2.765 383 HB3 TYR 50 3HB TYR 50 5.874 -1.623 -2.734 384 HD1 TYR 50 HD1 TYR 50 3.632 -1.763 -1.750 385 HD2 TYR 50 HD2 TYR 50 6.283 -5.083 -1.692 386 HE1 TYR 50 HE1 TYR 50 2.252 -2.827 -0.017 387 HE2 TYR 50 HE2 TYR 50 4.910 -6.158 0.039 388 HH TYR 50 HH TYR 50 3.302 -5.497 1.783 389 H PHE 51 H PHE 51 4.930 -1.051 -5.864 390 HA PHE 51 HA PHE 51 7.740 -0.663 -6.619 391 HB2 PHE 51 2HB PHE 51 5.344 -0.708 -8.447 392 HB3 PHE 51 3HB PHE 51 6.841 0.105 -8.891 393 HD1 PHE 51 HD1 PHE 51 9.005 -1.332 -8.695 394 HD2 PHE 51 HD2 PHE 51 5.076 -2.940 -8.980 395 HE1 PHE 51 HE1 PHE 51 9.942 -3.462 -9.491 396 HE2 PHE 51 HE2 PHE 51 6.006 -5.072 -9.779 397 HZ PHE 51 HZ PHE 51 8.441 -5.336 -10.032 398 H GLN 52 H GLN 52 8.459 1.346 -6.497 399 HA GLN 52 HA GLN 52 6.492 3.486 -6.013 400 HB2 GLN 52 2HB GLN 52 9.160 3.112 -4.632 401 HB3 GLN 52 3HB GLN 52 8.087 4.488 -4.415 402 HG2 GLN 52 2HG GLN 52 6.396 3.063 -3.442 403 HG3 GLN 52 3HG GLN 52 7.393 1.638 -3.738 404 HE21 GLN 52 1HE2 GLN 52 7.453 1.110 -1.546 405 HE22 GLN 52 2HE2 GLN 52 8.399 2.009 -0.414 406 HA PRO 53 HA PRO 53 9.167 4.663 -9.525 407 HB2 PRO 53 2HB PRO 53 6.833 5.838 -10.740 408 HB3 PRO 53 3HB PRO 53 7.736 4.412 -11.252 409 HG2 PRO 53 2HG PRO 53 5.176 4.340 -10.264 410 HG3 PRO 53 3HG PRO 53 6.309 2.980 -10.196 411 HD2 PRO 53 2HD PRO 53 5.571 4.944 -8.061 412 HD3 PRO 53 3HD PRO 53 5.864 3.195 -7.936 413 H ASP 54 H ASP 54 6.423 6.799 -8.736 414 HA ASP 54 HA ASP 54 8.014 9.136 -9.253 415 HB2 ASP 54 2HB ASP 54 5.180 8.825 -8.244 416 HB3 ASP 54 3HB ASP 54 5.928 10.368 -8.640 417 H GLY 55 H GLY 55 6.463 7.702 -6.405 418 HA2 GLY 55 2HA GLY 55 7.874 9.660 -4.724 419 HA3 GLY 55 3HA GLY 55 6.495 8.688 -4.223 420 H LYS 56 H LYS 56 9.062 8.969 -2.889 421 HA LYS 56 HA LYS 56 9.860 6.133 -2.953 422 HB2 LYS 56 2HB LYS 56 11.684 8.508 -2.495 423 HB3 LYS 56 3HB LYS 56 12.159 6.818 -2.389 424 HG2 LYS 56 2HG LYS 56 11.157 8.174 -4.886 425 HG3 LYS 56 3HG LYS 56 12.853 7.896 -4.489 426 HD2 LYS 56 2HD LYS 56 12.424 5.472 -4.438 427 HD3 LYS 56 3HD LYS 56 10.746 5.776 -4.894 428 HE2 LYS 56 2HE LYS 56 11.508 6.815 -6.978 429 HE3 LYS 56 3HE LYS 56 13.180 6.501 -6.521 430 HZ1 LYS 56 3HZ LYS 56 12.700 4.122 -6.558 431 HZ2 LYS 56 1HZ LYS 56 12.368 4.835 -8.062 432 HZ3 LYS 56 2HZ LYS 56 11.098 4.440 -7.017 433 H GLY 57 H GLY 57 9.804 5.152 -1.005 434 HA2 GLY 57 2HA GLY 57 10.146 6.667 1.427 435 HA3 GLY 57 3HA GLY 57 8.505 6.098 1.167 436 H SER 58 H SER 58 9.812 5.291 3.367 437 HA SER 58 HA SER 58 10.661 2.547 2.792 438 HB2 SER 58 2HB SER 58 11.132 2.679 5.378 439 HB3 SER 58 3HB SER 58 12.244 3.435 4.238 440 HG SER 58 HG SER 58 11.659 5.362 4.913 441 H LEU 59 H LEU 59 9.026 1.173 2.706 442 HA LEU 59 HA LEU 59 6.593 1.728 4.221 443 HB2 LEU 59 2HB LEU 59 6.574 1.192 1.751 444 HB3 LEU 59 3HB LEU 59 7.074 -0.434 2.172 445 HG LEU 59 HG LEU 59 4.987 -0.700 3.488 446 HD11 LEU 59 1HD1 LEU 59 3.188 0.929 3.175 447 HD12 LEU 59 2HD1 LEU 59 4.294 1.977 2.284 448 HD13 LEU 59 3HD1 LEU 59 4.575 1.647 3.996 449 HD21 LEU 59 3HD2 LEU 59 5.135 -1.477 1.175 450 HD22 LEU 59 1HD2 LEU 59 4.591 0.103 0.612 451 HD23 LEU 59 2HD2 LEU 59 3.510 -0.913 1.565 452 H LYS 60 H LYS 60 6.538 0.922 6.192 453 HA LYS 60 HA LYS 60 8.034 -1.543 6.751 454 HB2 LYS 60 2HB LYS 60 6.996 0.530 8.689 455 HB3 LYS 60 3HB LYS 60 8.045 -0.826 9.074 456 HG2 LYS 60 2HG LYS 60 9.833 0.129 7.771 457 HG3 LYS 60 3HG LYS 60 8.782 1.445 7.243 458 HD2 LYS 60 2HD LYS 60 8.545 2.158 9.591 459 HD3 LYS 60 3HD LYS 60 9.657 0.874 10.074 460 HE2 LYS 60 2HE LYS 60 11.424 1.872 8.745 461 HE3 LYS 60 3HE LYS 60 10.319 3.123 8.177 462 HZ1 LYS 60 3HZ LYS 60 11.731 3.915 9.977 463 HZ2 LYS 60 1HZ LYS 60 11.136 2.705 11.004 464 HZ3 LYS 60 2HZ LYS 60 10.100 3.924 10.442 465 H MET 61 H MET 61 7.070 -3.281 7.685 466 HA MET 61 HA MET 61 4.178 -3.400 7.687 467 HB2 MET 61 2HB MET 61 6.254 -5.454 8.491 468 HB3 MET 61 3HB MET 61 4.527 -5.761 8.375 469 HG2 MET 61 2HG MET 61 4.574 -5.336 5.998 470 HG3 MET 61 3HG MET 61 6.286 -4.919 6.084 471 HE1 MET 61 3HE MET 61 4.332 -7.843 7.911 472 HE2 MET 61 1HE MET 61 4.593 -9.163 6.770 473 HE3 MET 61 2HE MET 61 3.614 -7.772 6.301 474 H GLU 62 H GLU 62 3.109 -4.432 9.667 475 HA GLU 62 HA GLU 62 3.472 -2.759 11.910 476 HB2 GLU 62 2HB GLU 62 1.941 -5.346 11.628 477 HB3 GLU 62 3HB GLU 62 1.826 -4.266 13.011 478 HG2 GLU 62 2HG GLU 62 0.945 -2.507 11.611 479 HG3 GLU 62 3HG GLU 62 1.155 -3.512 10.178 480 H ASP 63 H ASP 63 5.243 -5.426 10.955 481 HA ASP 63 HA ASP 63 6.021 -6.163 13.671 482 HB2 ASP 63 2HB ASP 63 5.667 -7.998 12.101 483 HB3 ASP 63 3HB ASP 63 6.853 -7.307 10.996 484 H GLY 64 H GLY 64 7.151 -4.400 10.905 485 HA2 GLY 64 2HA GLY 64 8.868 -2.682 11.407 486 HA3 GLY 64 3HA GLY 64 9.734 -3.948 12.267 487 H THR 65 H THR 65 8.668 -5.732 9.943 488 HA THR 65 HA THR 65 10.959 -5.857 8.376 489 HB THR 65 HB THR 65 8.207 -6.597 7.381 490 HG1 THR 65 HG1 THR 65 9.888 -7.979 9.234 491 HG21 THR 65 3HG2 THR 65 10.079 -6.845 5.800 492 HG22 THR 65 1HG2 THR 65 9.394 -8.405 6.259 493 HG23 THR 65 2HG2 THR 65 10.917 -7.868 6.968 494 H VAL 66 H VAL 66 11.712 -4.662 6.728 495 HA VAL 66 HA VAL 66 10.085 -2.422 5.803 496 HB VAL 66 HB VAL 66 12.998 -3.033 5.255 497 HG11 VAL 66 1HG1 VAL 66 13.122 -0.685 4.537 498 HG12 VAL 66 2HG1 VAL 66 11.381 -0.529 4.769 499 HG13 VAL 66 3HG1 VAL 66 12.011 -1.619 3.535 500 HG21 VAL 66 3HG2 VAL 66 13.470 -1.277 6.897 501 HG22 VAL 66 1HG2 VAL 66 12.595 -2.628 7.622 502 HG23 VAL 66 2HG2 VAL 66 11.744 -1.133 7.233 503 H LEU 67 H LEU 67 8.997 -2.519 3.993 504 HA LEU 67 HA LEU 67 9.456 -4.674 2.096 505 HB2 LEU 67 2HB LEU 67 7.360 -2.499 2.044 506 HB3 LEU 67 3HB LEU 67 7.356 -3.990 1.121 507 HG LEU 67 HG LEU 67 7.135 -3.832 4.127 508 HD11 LEU 67 1HD1 LEU 67 5.015 -4.361 2.053 509 HD12 LEU 67 2HD1 LEU 67 5.162 -2.906 3.039 510 HD13 LEU 67 3HD1 LEU 67 4.803 -4.454 3.802 511 HD21 LEU 67 3HD2 LEU 67 8.155 -5.903 3.332 512 HD22 LEU 67 1HD2 LEU 67 6.796 -6.152 2.236 513 HD23 LEU 67 2HD2 LEU 67 6.539 -6.189 3.980 514 H LYS 68 H LYS 68 10.656 -4.418 0.339 515 HA LYS 68 HA LYS 68 11.548 -1.702 -0.316 516 HB2 LYS 68 2HB LYS 68 12.683 -4.343 -1.263 517 HB3 LYS 68 3HB LYS 68 13.415 -2.754 -1.453 518 HG2 LYS 68 2HG LYS 68 13.562 -2.592 1.025 519 HG3 LYS 68 3HG LYS 68 12.974 -4.250 1.124 520 HD2 LYS 68 2HD LYS 68 15.514 -3.325 -0.216 521 HD3 LYS 68 3HD LYS 68 15.393 -4.186 1.315 522 HE2 LYS 68 2HE LYS 68 14.696 -5.217 -1.426 523 HE3 LYS 68 3HE LYS 68 16.019 -5.747 -0.388 524 HZ1 LYS 68 3HZ LYS 68 14.506 -7.365 0.048 525 HZ2 LYS 68 1HZ LYS 68 13.163 -6.370 -0.241 526 HZ3 LYS 68 2HZ LYS 68 14.006 -6.256 1.228 527 HA PRO 69 HA PRO 69 8.990 -1.628 -3.972 528 HB2 PRO 69 2HB PRO 69 10.383 0.376 -5.237 529 HB3 PRO 69 3HB PRO 69 9.149 0.652 -4.001 530 HG2 PRO 69 2HG PRO 69 12.130 0.610 -3.731 531 HG3 PRO 69 3HG PRO 69 10.951 1.710 -2.992 532 HD2 PRO 69 2HD PRO 69 12.055 -0.311 -1.611 533 HD3 PRO 69 3HD PRO 69 10.368 0.183 -1.353 534 H ASN 70 H ASN 70 9.477 -3.575 -4.895 535 HA ASN 70 HA ASN 70 10.924 -4.001 -7.147 536 HB2 ASN 70 2HB ASN 70 13.000 -3.359 -6.055 537 HB3 ASN 70 3HB ASN 70 12.676 -4.445 -4.710 538 HD21 ASN 70 1HD2 ASN 70 13.051 -6.645 -4.942 539 HD22 ASN 70 2HD2 ASN 70 13.904 -7.305 -6.300 540 H ASP 71 H ASP 71 10.348 -5.264 -3.926 541 HA ASP 71 HA ASP 71 10.457 -8.004 -4.833 542 HB2 ASP 71 2HB ASP 71 9.763 -6.912 -2.101 543 HB3 ASP 71 3HB ASP 71 10.089 -8.596 -2.491 544 H ARG 72 H ARG 72 8.807 -9.526 -4.216 545 HA ARG 72 HA ARG 72 6.086 -8.459 -4.118 546 HB2 ARG 72 2HB ARG 72 5.428 -10.469 -5.587 547 HB3 ARG 72 3HB ARG 72 6.139 -9.077 -6.380 548 HG2 ARG 72 2HG ARG 72 7.784 -11.463 -5.594 549 HG3 ARG 72 3HG ARG 72 6.910 -11.385 -7.125 550 HD2 ARG 72 2HD ARG 72 8.092 -9.199 -7.542 551 HD3 ARG 72 3HD ARG 72 9.100 -9.572 -6.148 552 HE ARG 72 HE ARG 72 9.072 -11.003 -8.715 553 HH11 ARG 72 1HH1 ARG 72 10.501 -10.577 -5.536 554 HH12 ARG 72 2HH1 ARG 72 11.999 -11.340 -5.975 555 HH21 ARG 72 1HH2 ARG 72 11.043 -11.967 -9.288 556 HH22 ARG 72 2HH2 ARG 72 12.324 -12.101 -8.118 557 H TYR 73 H TYR 73 5.470 -9.028 -2.161 558 HA TYR 73 HA TYR 73 6.695 -11.357 -0.915 559 HB2 TYR 73 2HB TYR 73 4.953 -9.219 0.329 560 HB3 TYR 73 3HB TYR 73 5.884 -10.441 1.190 561 HD1 TYR 73 HD2 TYR 73 8.400 -10.331 1.140 562 HD2 TYR 73 HD1 TYR 73 5.965 -7.213 -0.425 563 HE1 TYR 73 HE2 TYR 73 10.330 -8.800 1.200 564 HE2 TYR 73 HE1 TYR 73 7.882 -5.679 -0.374 565 HH TYR 73 HH TYR 73 10.976 -6.605 -0.187 566 H LEU 74 H LEU 74 5.586 -13.044 -0.016 567 HA LEU 74 HA LEU 74 3.004 -13.586 -1.193 568 HB2 LEU 74 2HB LEU 74 4.773 -15.260 0.597 569 HB3 LEU 74 3HB LEU 74 3.260 -15.810 -0.091 570 HG LEU 74 HG LEU 74 4.935 -16.753 -1.431 571 HD11 LEU 74 1HD1 LEU 74 3.982 -14.273 -2.852 572 HD12 LEU 74 2HD1 LEU 74 3.112 -15.801 -2.714 573 HD13 LEU 74 3HD1 LEU 74 4.624 -15.728 -3.618 574 HD21 LEU 74 3HD2 LEU 74 6.243 -14.038 -1.584 575 HD22 LEU 74 1HD2 LEU 74 6.776 -15.487 -2.437 576 HD23 LEU 74 2HD2 LEU 74 6.825 -15.432 -0.675 577 H LEU 75 H LEU 75 1.479 -12.370 -0.194 578 HA LEU 75 HA LEU 75 1.411 -12.348 2.722 579 HB2 LEU 75 2HB LEU 75 -0.117 -10.742 0.682 580 HB3 LEU 75 3HB LEU 75 -0.396 -10.642 2.411 581 HG LEU 75 HG LEU 75 2.148 -9.903 0.964 582 HD11 LEU 75 1HD1 LEU 75 1.632 -7.643 1.745 583 HD12 LEU 75 2HD1 LEU 75 0.118 -8.229 2.435 584 HD13 LEU 75 3HD1 LEU 75 0.368 -8.274 0.689 585 HD21 LEU 75 3HD2 LEU 75 1.509 -9.822 3.910 586 HD22 LEU 75 1HD2 LEU 75 2.949 -9.141 3.155 587 HD23 LEU 75 2HD2 LEU 75 2.676 -10.883 3.121 588 H ASN 76 H ASN 76 0.536 -14.132 3.468 589 HA ASN 76 HA ASN 76 -1.850 -15.273 2.268 590 HB2 ASN 76 2HB ASN 76 -1.586 -17.014 3.980 591 HB3 ASN 76 3HB ASN 76 -0.094 -16.764 3.084 592 HD21 ASN 76 1HD2 ASN 76 -1.640 -16.625 6.143 593 HD22 ASN 76 2HD2 ASN 76 -0.249 -16.165 7.066 594 H GLU 77 H GLU 77 -1.581 -12.638 3.796 595 HA GLU 77 HA GLU 77 -3.895 -13.052 5.562 596 HB2 GLU 77 2HB GLU 77 -1.765 -12.508 6.779 597 HB3 GLU 77 3HB GLU 77 -1.731 -10.970 5.929 598 HG2 GLU 77 2HG GLU 77 -2.636 -10.827 8.224 599 HG3 GLU 77 3HG GLU 77 -3.755 -10.269 6.982 600 H TRP 78 H TRP 78 -5.610 -11.688 5.258 601 HA TRP 78 HA TRP 78 -5.476 -10.115 2.798 602 HB2 TRP 78 2HB TRP 78 -7.846 -11.155 4.361 603 HB3 TRP 78 3HB TRP 78 -7.960 -10.227 2.869 604 HD1 TRP 78 HD1 TRP 78 -7.229 -13.717 4.170 605 HE1 TRP 78 HE1 TRP 78 -7.033 -15.341 2.174 606 HE3 TRP 78 HE3 TRP 78 -7.225 -10.307 0.362 607 HZ2 TRP 78 HZ2 TRP 78 -6.899 -15.179 -0.641 608 HZ3 TRP 78 HZ3 TRP 78 -7.059 -11.124 -1.953 609 HH2 TRP 78 HH2 TRP 78 -6.899 -13.511 -2.440 610 H LYS 79 H LYS 79 -5.424 -9.601 6.110 611 HA LYS 79 HA LYS 79 -6.212 -6.799 5.712 612 HB2 LYS 79 2HB LYS 79 -8.029 -7.893 6.894 613 HB3 LYS 79 3HB LYS 79 -6.912 -8.584 8.057 614 HG2 LYS 79 2HG LYS 79 -7.073 -5.622 7.799 615 HG3 LYS 79 3HG LYS 79 -8.358 -6.482 8.646 616 HD2 LYS 79 2HD LYS 79 -6.716 -7.472 10.154 617 HD3 LYS 79 3HD LYS 79 -5.412 -6.664 9.284 618 HE2 LYS 79 2HE LYS 79 -6.362 -4.491 9.900 619 HE3 LYS 79 3HE LYS 79 -7.649 -5.310 10.784 620 HZ1 LYS 79 3HZ LYS 79 -6.008 -6.261 12.265 621 HZ2 LYS 79 1HZ LYS 79 -5.848 -4.571 12.241 622 HZ3 LYS 79 2HZ LYS 79 -4.749 -5.542 11.386 623 H PHE 80 H PHE 80 -4.650 -5.399 6.279 624 HA PHE 80 HA PHE 80 -2.852 -5.893 8.455 625 HB2 PHE 80 2HB PHE 80 -2.030 -7.304 6.426 626 HB3 PHE 80 3HB PHE 80 -1.516 -5.757 5.764 627 HD1 PHE 80 HD2 PHE 80 -1.163 -7.943 8.747 628 HD2 PHE 80 HD1 PHE 80 0.536 -4.849 6.371 629 HE1 PHE 80 HE2 PHE 80 0.922 -8.096 10.044 630 HE2 PHE 80 HE1 PHE 80 2.621 -4.997 7.666 631 HZ PHE 80 HZ PHE 80 2.816 -6.621 9.504 632 H ARG 81 H ARG 81 -1.379 -4.075 8.814 633 HA ARG 81 HA ARG 81 -2.220 -1.644 7.360 634 HB2 ARG 81 2HB ARG 81 -1.187 -1.920 10.188 635 HB3 ARG 81 3HB ARG 81 -1.518 -0.391 9.390 636 HG2 ARG 81 2HG ARG 81 -3.869 -0.940 9.238 637 HG3 ARG 81 3HG ARG 81 -3.563 -2.531 9.941 638 HD2 ARG 81 2HD ARG 81 -3.075 0.121 11.298 639 HD3 ARG 81 3HD ARG 81 -4.438 -0.956 11.604 640 HE ARG 81 HE ARG 81 -2.185 -2.489 12.008 641 HH11 ARG 81 1HH1 ARG 81 -3.456 0.485 13.380 642 HH12 ARG 81 2HH1 ARG 81 -2.753 0.199 14.941 643 HH21 ARG 81 1HH2 ARG 81 -1.275 -2.863 14.017 644 HH22 ARG 81 2HH2 ARG 81 -1.528 -1.735 15.322 645 H LEU 82 H LEU 82 -0.686 -0.440 6.379 646 HA LEU 82 HA LEU 82 2.107 -1.323 6.714 647 HB2 LEU 82 2HB LEU 82 0.799 0.004 4.335 648 HB3 LEU 82 3HB LEU 82 2.482 -0.474 4.435 649 HG LEU 82 HG LEU 82 0.137 -2.375 4.524 650 HD11 LEU 82 1HD1 LEU 82 0.873 -3.048 2.290 651 HD12 LEU 82 2HD1 LEU 82 2.090 -1.771 2.309 652 HD13 LEU 82 3HD1 LEU 82 0.376 -1.356 2.331 653 HD21 LEU 82 3HD2 LEU 82 2.067 -3.195 5.767 654 HD22 LEU 82 1HD2 LEU 82 3.104 -2.897 4.373 655 HD23 LEU 82 2HD2 LEU 82 1.833 -4.117 4.283 656 H TYR 83 H TYR 83 3.665 0.170 7.157 657 HA TYR 83 HA TYR 83 2.699 2.887 7.740 658 HB2 TYR 83 2HB TYR 83 5.022 1.319 8.877 659 HB3 TYR 83 3HB TYR 83 4.734 3.022 9.220 660 HD1 TYR 83 HD2 TYR 83 3.324 -0.385 9.621 661 HD2 TYR 83 HD1 TYR 83 3.139 3.691 10.840 662 HE1 TYR 83 HE2 TYR 83 1.812 -1.006 11.458 663 HE2 TYR 83 HE1 TYR 83 1.631 3.079 12.684 664 HH TYR 83 HH TYR 83 0.045 1.280 13.238 665 H TYR 84 H TYR 84 3.195 4.333 6.247 666 HA TYR 84 HA TYR 84 5.518 3.839 4.529 667 HB2 TYR 84 2HB TYR 84 3.339 4.102 3.418 668 HB3 TYR 84 3HB TYR 84 3.157 5.690 4.148 669 HD1 TYR 84 HD1 TYR 84 5.407 3.769 1.879 670 HD2 TYR 84 HD2 TYR 84 3.874 7.576 2.993 671 HE1 TYR 84 HE1 TYR 84 6.513 4.779 -0.072 672 HE2 TYR 84 HE2 TYR 84 4.976 8.599 1.048 673 HH TYR 84 HH TYR 84 6.315 6.752 -1.487 674 H THR 85 H THR 85 7.265 4.707 5.509 675 HA THR 85 HA THR 85 7.150 7.417 6.556 676 HB THR 85 HB THR 85 9.498 5.515 6.308 677 HG1 THR 85 HG1 THR 85 7.824 6.236 8.508 678 HG21 THR 85 3HG2 THR 85 10.204 7.862 6.326 679 HG22 THR 85 1HG2 THR 85 10.654 7.049 7.825 680 HG23 THR 85 2HG2 THR 85 9.265 8.136 7.793 681 H SER 86 H SER 86 7.208 9.016 5.178 682 HA SER 86 HA SER 86 7.866 8.730 2.456 683 HB2 SER 86 2HB SER 86 7.647 11.317 4.007 684 HB3 SER 86 3HB SER 86 7.391 11.081 2.278 685 HG SER 86 HG SER 86 5.768 10.280 4.444 686 H GLN 87 H GLN 87 9.849 8.477 1.662 687 HA GLN 87 HA GLN 87 12.147 9.699 2.975 688 HB2 GLN 87 2HB GLN 87 11.968 7.923 0.531 689 HB3 GLN 87 3HB GLN 87 13.469 8.529 1.216 690 HG2 GLN 87 2HG GLN 87 11.511 6.701 2.587 691 HG3 GLN 87 3HG GLN 87 13.047 6.228 1.870 692 HE21 GLN 87 1HE2 GLN 87 14.382 8.661 2.814 693 HE22 GLN 87 2HE2 GLN 87 14.637 8.442 4.508 694 H SER 88 H SER 88 10.336 9.868 -0.045 695 HA SER 88 HA SER 88 11.831 12.094 -1.040 696 HB2 SER 88 2HB SER 88 9.820 12.265 -2.624 697 HB3 SER 88 3HB SER 88 10.762 10.776 -2.696 698 HG SER 88 HG SER 88 8.266 11.211 -1.429 699 H ASP 89 H ASP 89 10.822 14.240 -1.378 700 HA ASP 89 HA ASP 89 9.347 14.982 1.070 701 HB2 ASP 89 2HB ASP 89 10.807 17.013 1.153 702 HB3 ASP 89 3HB ASP 89 11.665 15.499 1.425 703 H LYS 90 H LYS 90 9.453 15.171 -2.283 704 HA LYS 90 HA LYS 90 8.327 17.813 -2.503 705 HB2 LYS 90 2HB LYS 90 8.848 15.636 -4.519 706 HB3 LYS 90 3HB LYS 90 8.101 17.173 -4.938 707 HG2 LYS 90 2HG LYS 90 10.057 18.379 -4.237 708 HG3 LYS 90 3HG LYS 90 10.805 16.895 -3.644 709 HD2 LYS 90 2HD LYS 90 10.872 16.007 -5.909 710 HD3 LYS 90 3HD LYS 90 10.068 17.458 -6.514 711 HE2 LYS 90 2HE LYS 90 11.939 18.826 -5.897 712 HE3 LYS 90 3HE LYS 90 12.717 17.470 -5.081 713 HZ1 LYS 90 3HZ LYS 90 12.114 17.517 -7.985 714 HZ2 LYS 90 1HZ LYS 90 13.053 16.380 -7.145 715 HZ3 LYS 90 2HZ LYS 90 13.611 17.972 -7.326 716 H GLU 91 H GLU 91 6.369 17.676 -4.331 717 HA GLU 91 HA GLU 91 4.242 16.683 -2.597 718 HB2 GLU 91 2HB GLU 91 4.240 18.741 -4.806 719 HB3 GLU 91 3HB GLU 91 2.819 18.283 -3.874 720 HG2 GLU 91 2HG GLU 91 3.766 19.124 -1.863 721 HG3 GLU 91 3HG GLU 91 5.336 19.352 -2.628 722 H ALA 92 H ALA 92 5.660 14.902 -4.441 723 HA ALA 92 HA ALA 92 3.289 13.870 -5.792 724 HB1 ALA 92 3HB ALA 92 4.471 15.133 -7.516 725 HB2 ALA 92 1HB ALA 92 4.495 13.402 -7.853 726 HB3 ALA 92 2HB ALA 92 5.930 14.193 -7.205 727 H GLN 93 H GLN 93 3.254 12.309 -4.154 728 HA GLN 93 HA GLN 93 5.381 10.283 -4.381 729 HB2 GLN 93 2HB GLN 93 3.632 11.093 -2.093 730 HB3 GLN 93 3HB GLN 93 4.185 9.431 -2.189 731 HG2 GLN 93 2HG GLN 93 5.694 10.554 -0.788 732 HG3 GLN 93 3HG GLN 93 6.525 10.319 -2.320 733 HE21 GLN 93 1HE2 GLN 93 4.080 12.786 -1.728 734 HE22 GLN 93 2HE2 GLN 93 5.167 14.132 -1.839 735 H THR 94 H THR 94 4.559 9.212 -6.154 736 HA THR 94 HA THR 94 1.878 8.050 -5.879 737 HB THR 94 HB THR 94 3.589 8.021 -8.365 738 HG1 THR 94 HG1 THR 94 1.544 9.932 -7.771 739 HG21 THR 94 3HG2 THR 94 0.609 7.807 -7.941 740 HG22 THR 94 1HG2 THR 94 1.697 6.471 -8.311 741 HG23 THR 94 2HG2 THR 94 1.439 7.753 -9.495 742 H ILE 95 H ILE 95 1.817 6.050 -5.114 743 HA ILE 95 HA ILE 95 4.035 4.213 -5.759 744 HB ILE 95 HB ILE 95 3.554 3.029 -3.636 745 HG12 ILE 95 2HG1 ILE 95 1.790 5.416 -3.027 746 HG13 ILE 95 3HG1 ILE 95 1.209 3.792 -3.379 747 HG21 ILE 95 1HG2 ILE 95 4.262 5.944 -3.346 748 HG22 ILE 95 2HG2 ILE 95 5.371 4.627 -3.727 749 HG23 ILE 95 3HG2 ILE 95 4.589 4.692 -2.147 750 HD11 ILE 95 3HD1 ILE 95 2.907 4.592 -1.030 751 HD12 ILE 95 1HD1 ILE 95 2.333 2.961 -1.379 752 HD13 ILE 95 2HD1 ILE 95 1.179 4.242 -1.000 753 H ASP 96 H ASP 96 3.483 2.058 -6.246 754 HA ASP 96 HA ASP 96 0.635 1.685 -6.914 755 HB2 ASP 96 2HB ASP 96 3.110 0.899 -8.437 756 HB3 ASP 96 3HB ASP 96 1.555 0.137 -8.742 757 H LEU 97 H LEU 97 -0.334 0.068 -5.962 758 HA LEU 97 HA LEU 97 1.270 -2.131 -4.845 759 HB2 LEU 97 2HB LEU 97 -1.584 -1.370 -4.208 760 HB3 LEU 97 3HB LEU 97 -0.615 -2.570 -3.378 761 HG LEU 97 HG LEU 97 -0.153 0.416 -3.355 762 HD11 LEU 97 1HD1 LEU 97 -0.717 0.237 -0.988 763 HD12 LEU 97 2HD1 LEU 97 -1.047 -1.483 -1.193 764 HD13 LEU 97 3HD1 LEU 97 -2.057 -0.288 -2.006 765 HD21 LEU 97 3HD2 LEU 97 1.963 -0.791 -3.293 766 HD22 LEU 97 1HD2 LEU 97 1.362 -1.798 -1.976 767 HD23 LEU 97 2HD2 LEU 97 1.608 -0.071 -1.725 768 H TYR 98 H TYR 98 1.272 -3.941 -6.033 769 HA TYR 98 HA TYR 98 -0.982 -4.397 -7.866 770 HB2 TYR 98 2HB TYR 98 1.828 -5.514 -7.947 771 HB3 TYR 98 3HB TYR 98 0.556 -5.893 -9.103 772 HD1 TYR 98 HD2 TYR 98 -0.259 -4.149 -10.659 773 HD2 TYR 98 HD1 TYR 98 3.049 -3.465 -8.074 774 HE1 TYR 98 HE2 TYR 98 0.397 -2.211 -12.021 775 HE2 TYR 98 HE1 TYR 98 3.710 -1.522 -9.427 776 HH TYR 98 HH TYR 98 1.688 -0.092 -11.694 777 H PHE 99 H PHE 99 -2.453 -5.615 -6.897 778 HA PHE 99 HA PHE 99 -1.671 -7.802 -5.132 779 HB2 PHE 99 2HB PHE 99 -4.403 -6.749 -5.913 780 HB3 PHE 99 3HB PHE 99 -4.112 -8.020 -4.731 781 HD1 PHE 99 HD2 PHE 99 -3.755 -4.433 -5.435 782 HD2 PHE 99 HD1 PHE 99 -3.355 -7.520 -2.535 783 HE1 PHE 99 HE2 PHE 99 -3.517 -2.735 -3.671 784 HE2 PHE 99 HE1 PHE 99 -3.121 -5.829 -0.764 785 HZ PHE 99 HZ PHE 99 -3.201 -3.433 -1.335 786 H GLU 100 H GLU 100 -1.264 -9.725 -5.957 787 HA GLU 100 HA GLU 100 -2.530 -10.472 -8.516 788 HB2 GLU 100 2HB GLU 100 0.042 -11.522 -7.336 789 HB3 GLU 100 3HB GLU 100 -0.590 -11.847 -8.942 790 HG2 GLU 100 2HG GLU 100 -0.163 -9.637 -9.653 791 HG3 GLU 100 3HG GLU 100 0.187 -9.108 -8.006 792 H ASP 101 H ASP 101 -3.831 -12.253 -8.511 793 HA ASP 101 HA ASP 101 -3.933 -14.084 -6.309 794 HB2 ASP 101 2HB ASP 101 -4.798 -14.486 -9.186 795 HB3 ASP 101 3HB ASP 101 -5.188 -15.562 -7.854 796 H ASN 102 H ASN 102 -1.892 -13.546 -8.941 797 HA ASN 102 HA ASN 102 -0.110 -14.559 -9.888 798 HB2 ASN 102 2HB ASN 102 0.459 -15.043 -7.443 799 HB3 ASN 102 3HB ASN 102 -0.205 -16.651 -7.710 800 HD21 ASN 102 1HD2 ASN 102 0.955 -18.127 -8.930 801 HD22 ASN 102 2HD2 ASN 102 2.587 -17.854 -9.430 802 H TRP 103 H TRP 103 -3.051 -15.538 -9.993 803 HA TRP 103 HA TRP 103 -2.497 -17.795 -11.761 804 HB2 TRP 103 2HB TRP 103 -3.177 -18.774 -9.636 805 HB3 TRP 103 3HB TRP 103 -4.601 -17.743 -9.586 806 HD1 TRP 103 HD1 TRP 103 -6.593 -18.327 -11.307 807 HE1 TRP 103 HE1 TRP 103 -7.244 -20.538 -12.451 808 HE3 TRP 103 HE3 TRP 103 -2.236 -20.915 -10.599 809 HZ2 TRP 103 HZ2 TRP 103 -6.072 -23.053 -12.963 810 HZ3 TRP 103 HZ3 TRP 103 -2.093 -23.224 -11.442 811 HH2 TRP 103 HH2 TRP 103 -3.971 -24.266 -12.599 812 H GLY 104 H GLY 104 -4.835 -15.356 -10.640 813 HA2 GLY 104 2HA GLY 104 -6.006 -15.443 -13.345 814 HA3 GLY 104 3HA GLY 104 -6.998 -15.314 -11.903 815 H ASN 105 H ASN 105 -6.808 -13.331 -10.620 816 HA ASN 105 HA ASN 105 -6.808 -11.146 -12.556 817 HB2 ASN 105 2HB ASN 105 -8.875 -11.567 -11.346 818 HB3 ASN 105 3HB ASN 105 -8.043 -11.397 -9.806 819 HD21 ASN 105 1HD2 ASN 105 -7.665 -9.396 -8.990 820 HD22 ASN 105 2HD2 ASN 105 -8.262 -7.938 -9.711 821 H LEU 106 H LEU 106 -5.900 -9.147 -12.188 822 HA LEU 106 HA LEU 106 -4.033 -8.896 -9.927 823 HB2 LEU 106 2HB LEU 106 -2.685 -9.219 -11.883 824 HB3 LEU 106 3HB LEU 106 -3.659 -8.098 -12.812 825 HG LEU 106 HG LEU 106 -2.817 -6.233 -11.420 826 HD11 LEU 106 1HD1 LEU 106 -2.318 -7.461 -9.381 827 HD12 LEU 106 2HD1 LEU 106 -0.896 -6.595 -9.959 828 HD13 LEU 106 3HD1 LEU 106 -1.031 -8.336 -10.209 829 HD21 LEU 106 3HD2 LEU 106 -1.738 -6.776 -13.533 830 HD22 LEU 106 1HD2 LEU 106 -0.681 -7.925 -12.712 831 HD23 LEU 106 2HD2 LEU 106 -0.559 -6.202 -12.356 832 H GLN 107 H GLN 107 -4.265 -7.065 -8.762 833 HA GLN 107 HA GLN 107 -5.985 -4.948 -9.884 834 HB2 GLN 107 2HB GLN 107 -7.162 -6.076 -8.082 835 HB3 GLN 107 3HB GLN 107 -5.786 -5.864 -7.009 836 HG2 GLN 107 2HG GLN 107 -6.080 -3.440 -7.116 837 HG3 GLN 107 3HG GLN 107 -7.471 -3.661 -8.175 838 HE21 GLN 107 1HE2 GLN 107 -6.242 -4.015 -4.943 839 HE22 GLN 107 2HE2 GLN 107 -7.772 -4.225 -4.170 840 H GLN 108 H GLN 108 -4.996 -3.097 -10.171 841 HA GLN 108 HA GLN 108 -2.517 -2.547 -8.703 842 HB2 GLN 108 2HB GLN 108 -2.111 -2.448 -11.025 843 HB3 GLN 108 3HB GLN 108 -3.605 -1.582 -11.340 844 HG2 GLN 108 2HG GLN 108 -2.696 0.416 -10.306 845 HG3 GLN 108 3HG GLN 108 -1.220 -0.453 -9.890 846 HE21 GLN 108 1HE2 GLN 108 -0.044 1.106 -11.060 847 HE22 GLN 108 2HE2 GLN 108 0.026 1.045 -12.796 848 H LEU 109 H LEU 109 -2.855 -1.394 -6.925 849 HA LEU 109 HA LEU 109 -4.814 0.795 -7.018 850 HB2 LEU 109 2HB LEU 109 -3.492 -0.580 -4.678 851 HB3 LEU 109 3HB LEU 109 -4.489 0.853 -4.523 852 HG LEU 109 HG LEU 109 -5.393 -1.853 -5.504 853 HD11 LEU 109 1HD1 LEU 109 -6.042 -0.311 -2.995 854 HD12 LEU 109 2HD1 LEU 109 -5.022 -1.745 -3.097 855 HD13 LEU 109 3HD1 LEU 109 -6.744 -1.860 -3.467 856 HD21 LEU 109 3HD2 LEU 109 -7.635 -0.871 -5.555 857 HD22 LEU 109 1HD2 LEU 109 -6.551 -0.067 -6.692 858 HD23 LEU 109 2HD2 LEU 109 -6.952 0.706 -5.159 859 H THR 110 H THR 110 -4.027 2.705 -7.478 860 HA THR 110 HA THR 110 -1.192 3.254 -6.929 861 HB THR 110 HB THR 110 -3.042 4.724 -8.818 862 HG1 THR 110 HG1 THR 110 -1.034 2.810 -9.509 863 HG21 THR 110 3HG2 THR 110 -0.033 4.706 -8.569 864 HG22 THR 110 1HG2 THR 110 -1.102 6.020 -8.076 865 HG23 THR 110 2HG2 THR 110 -0.964 5.586 -9.780 866 H TYR 111 H TYR 111 -0.768 4.551 -5.269 867 HA TYR 111 HA TYR 111 -2.900 6.349 -4.316 868 HB2 TYR 111 2HB TYR 111 -0.597 5.052 -2.852 869 HB3 TYR 111 3HB TYR 111 -1.583 6.329 -2.151 870 HD1 TYR 111 HD1 TYR 111 -1.657 2.851 -3.416 871 HD2 TYR 111 HD2 TYR 111 -3.718 5.865 -1.235 872 HE1 TYR 111 HE1 TYR 111 -3.276 1.170 -2.639 873 HE2 TYR 111 HE2 TYR 111 -5.345 4.195 -0.453 874 HH TYR 111 HH TYR 111 -6.205 2.016 -1.081 875 H ASP 112 H ASP 112 -2.601 8.469 -4.441 876 HA ASP 112 HA ASP 112 0.101 9.473 -5.029 877 HB2 ASP 112 2HB ASP 112 -2.626 10.406 -5.843 878 HB3 ASP 112 3HB ASP 112 -1.305 11.565 -5.757 879 H PHE 113 H PHE 113 1.047 10.219 -3.267 880 HA PHE 113 HA PHE 113 -0.551 11.755 -1.329 881 HB2 PHE 113 2HB PHE 113 2.237 10.600 -1.040 882 HB3 PHE 113 3HB PHE 113 1.324 11.422 0.222 883 HD1 PHE 113 HD2 PHE 113 -1.047 10.377 0.704 884 HD2 PHE 113 HD1 PHE 113 2.207 8.304 -1.087 885 HE1 PHE 113 HE2 PHE 113 -2.036 8.235 1.400 886 HE2 PHE 113 HE1 PHE 113 1.223 6.158 -0.400 887 HZ PHE 113 HZ PHE 113 -0.899 6.121 0.848 888 H ASN 114 H ASN 114 -0.104 13.897 -0.956 889 HA ASN 114 HA ASN 114 2.082 15.128 -2.470 890 HB2 ASN 114 2HB ASN 114 0.486 16.800 -3.420 891 HB3 ASN 114 3HB ASN 114 0.244 15.168 -4.035 892 HD21 ASN 114 1HD2 ASN 114 -1.549 13.963 -3.277 893 HD22 ASN 114 2HD2 ASN 114 -2.930 14.737 -2.580 894 H GLY 115 H GLY 115 2.758 17.111 -1.686 895 HA2 GLY 115 2HA GLY 115 2.174 17.703 1.030 896 HA3 GLY 115 3HA GLY 115 3.140 18.688 -0.063 897 H LYS 116 H LYS 116 1.600 19.568 -1.941 898 HA LYS 116 HA LYS 116 -0.035 21.002 -2.561 899 HB2 LYS 116 2HB LYS 116 -1.417 18.989 -1.985 900 HB3 LYS 116 3HB LYS 116 -1.664 19.677 -0.389 901 HG2 LYS 116 2HG LYS 116 -2.847 21.545 -1.325 902 HG3 LYS 116 3HG LYS 116 -2.494 20.996 -2.963 903 HD2 LYS 116 2HD LYS 116 -4.764 20.399 -2.364 904 HD3 LYS 116 3HD LYS 116 -3.782 18.944 -2.533 905 HE2 LYS 116 2HE LYS 116 -4.215 20.233 0.143 906 HE3 LYS 116 3HE LYS 116 -5.397 19.116 -0.532 907 HZ1 LYS 116 3HZ LYS 116 -2.539 18.483 -0.016 908 HZ2 LYS 116 1HZ LYS 116 -3.694 17.407 -0.633 909 HZ3 LYS 116 2HZ LYS 116 -3.844 17.998 0.946 910 H LEU 117 H LEU 117 1.844 22.072 -1.015 911 HA LEU 117 HA LEU 117 0.764 23.362 1.318 912 HB2 LEU 117 2HB LEU 117 3.357 23.784 -0.170 913 HB3 LEU 117 3HB LEU 117 2.920 24.657 1.281 914 HG LEU 117 HG LEU 117 4.378 22.983 2.010 915 HD11 LEU 117 1HD1 LEU 117 1.605 21.887 2.435 916 HD12 LEU 117 2HD1 LEU 117 2.379 23.150 3.391 917 HD13 LEU 117 3HD1 LEU 117 3.034 21.512 3.402 918 HD21 LEU 117 3HD2 LEU 117 4.182 20.616 1.407 919 HD22 LEU 117 1HD2 LEU 117 4.441 21.638 -0.006 920 HD23 LEU 117 2HD2 LEU 117 2.832 21.008 0.340 921 H GLU 118 H GLU 118 -1.063 24.430 0.417 922 HA GLU 118 HA GLU 118 -0.673 26.512 -1.515 923 HB2 GLU 118 2HB GLU 118 -3.083 27.120 -0.779 924 HB3 GLU 118 3HB GLU 118 -2.814 25.616 -1.645 925 HG2 GLU 118 2HG GLU 118 -3.784 24.495 -0.006 926 HG3 GLU 118 3HG GLU 118 -2.564 25.073 1.126 927 H HIS 119 H HIS 119 -2.492 27.273 1.354 928 HA HIS 119 HA HIS 119 -2.304 28.789 3.000 929 HB2 HIS 119 2HB HIS 119 -0.140 27.345 3.288 930 HB3 HIS 119 3HB HIS 119 0.676 28.818 2.773 931 HD1 HIS 119 HD1 HIS 119 1.753 29.092 5.106 932 HD2 HIS 119 HD2 HIS 119 -2.406 29.156 5.120 933 HE1 HIS 119 HE1 HIS 119 1.093 29.899 7.399 934 HE2 HIS 119 HE2 HIS 119 -1.428 29.754 7.441 935 H HIS 120 H HIS 120 0.615 29.824 1.238 936 HA HIS 120 HA HIS 120 -0.559 32.500 1.120 937 HB2 HIS 120 2HB HIS 120 1.723 33.284 0.530 938 HB3 HIS 120 3HB HIS 120 1.642 32.482 2.089 939 HD1 HIS 120 HD1 HIS 120 3.289 32.355 -1.206 940 HD2 HIS 120 HD2 HIS 120 2.933 29.933 2.158 941 HE1 HIS 120 HE1 HIS 120 5.109 30.629 -1.416 942 HE2 HIS 120 HE2 HIS 120 4.991 29.295 0.724 943 H HIS 121 H HIS 121 -0.796 29.957 -0.718 944 HA HIS 121 HA HIS 121 -1.110 31.607 -3.111 945 HB2 HIS 121 2HB HIS 121 0.388 29.009 -2.940 946 HB3 HIS 121 3HB HIS 121 -0.460 29.441 -4.420 947 HD1 HIS 121 HD1 HIS 121 2.777 29.324 -3.485 948 HD2 HIS 121 HD2 HIS 121 0.439 32.517 -4.778 949 HE1 HIS 121 HE1 HIS 121 4.390 31.017 -4.426 950 HE2 HIS 121 HE2 HIS 121 2.941 32.854 -5.355 951 H HIS 122 H HIS 122 -2.912 31.152 -4.289 952 HA HIS 122 HA HIS 122 -4.440 28.742 -3.584 953 HB2 HIS 122 2HB HIS 122 -5.445 31.579 -3.647 954 HB3 HIS 122 3HB HIS 122 -6.533 30.237 -3.979 955 HD1 HIS 122 HD1 HIS 122 -7.520 29.061 -2.017 956 HD2 HIS 122 HD2 HIS 122 -4.299 31.479 -0.972 957 HE1 HIS 122 HE1 HIS 122 -7.451 29.049 0.497 958 HE2 HIS 122 HE2 HIS 122 -5.372 30.339 1.095 959 H HIS 123 H HIS 123 -4.119 31.463 -5.817 960 HA HIS 123 HA HIS 123 -3.862 31.568 -8.057 961 HB2 HIS 123 2HB HIS 123 -2.439 29.525 -7.750 962 HB3 HIS 123 3HB HIS 123 -3.860 28.551 -8.115 963 HD1 HIS 123 HD1 HIS 123 -3.746 27.738 -10.457 964 HD2 HIS 123 HD2 HIS 123 -2.217 31.590 -10.056 965 HE1 HIS 123 HE1 HIS 123 -3.036 28.436 -12.772 966 HE2 HIS 123 HE2 HIS 123 -1.882 30.657 -12.444 967 H HIS 124 H HIS 124 -6.336 29.442 -6.827 968 HA HIS 124 HA HIS 124 -8.170 30.464 -8.849 969 HB2 HIS 124 2HB HIS 124 -7.371 28.328 -9.759 970 HB3 HIS 124 3HB HIS 124 -7.808 27.513 -8.264 971 HD1 HIS 124 HD1 HIS 124 -10.075 26.507 -8.198 972 HD2 HIS 124 HD2 HIS 124 -9.732 29.414 -11.156 973 HE1 HIS 124 HE1 HIS 124 -12.245 26.444 -9.470 974 HE2 HIS 124 HE2 HIS 124 -12.077 28.320 -11.147 Start of MODEL 4 1 H1 MET 1 1H MET 1 -29.502 8.761 -10.545 2 H2 MET 1 2H MET 1 -28.133 8.744 -9.546 3 H3 MET 1 3H MET 1 -29.382 7.633 -9.286 4 HA MET 1 HA MET 1 -28.957 6.542 -11.338 5 HB2 MET 1 2HB MET 1 -27.063 7.172 -12.756 6 HB3 MET 1 3HB MET 1 -28.237 8.473 -12.646 7 HG2 MET 1 2HG MET 1 -25.714 8.356 -11.013 8 HG3 MET 1 3HG MET 1 -25.842 9.172 -12.571 9 HE1 MET 1 3HE MET 1 -25.685 12.206 -10.136 10 HE2 MET 1 1HE MET 1 -25.029 11.471 -11.598 11 HE3 MET 1 2HE MET 1 -24.785 10.692 -10.035 12 H ASN 2 H ASN 2 -26.717 5.353 -11.860 13 HA ASN 2 HA ASN 2 -26.124 4.049 -9.374 14 HB2 ASN 2 2HB ASN 2 -24.928 2.446 -10.764 15 HB3 ASN 2 3HB ASN 2 -26.481 2.829 -11.497 16 HD21 ASN 2 1HD2 ASN 2 -23.070 2.928 -11.830 17 HD22 ASN 2 2HD2 ASN 2 -23.014 3.592 -13.428 18 H GLU 3 H GLU 3 -25.062 6.814 -9.723 19 HA GLU 3 HA GLU 3 -22.193 6.385 -10.022 20 HB2 GLU 3 2HB GLU 3 -23.296 8.277 -11.194 21 HB3 GLU 3 3HB GLU 3 -23.706 8.970 -9.631 22 HG2 GLU 3 2HG GLU 3 -21.747 10.036 -10.601 23 HG3 GLU 3 3HG GLU 3 -21.348 9.203 -9.098 24 H LEU 4 H LEU 4 -24.461 7.744 -7.631 25 HA LEU 4 HA LEU 4 -22.353 8.198 -5.737 26 HB2 LEU 4 2HB LEU 4 -25.346 8.428 -5.582 27 HB3 LEU 4 3HB LEU 4 -24.329 8.658 -4.175 28 HG LEU 4 HG LEU 4 -23.167 10.506 -5.433 29 HD11 LEU 4 1HD1 LEU 4 -24.325 11.499 -7.330 30 HD12 LEU 4 2HD1 LEU 4 -25.494 10.178 -7.318 31 HD13 LEU 4 3HD1 LEU 4 -23.801 9.857 -7.695 32 HD21 LEU 4 3HD2 LEU 4 -24.826 10.961 -3.721 33 HD22 LEU 4 1HD2 LEU 4 -26.121 10.799 -4.908 34 HD23 LEU 4 2HD2 LEU 4 -24.966 12.124 -5.038 35 H ASP 5 H ASP 5 -21.380 6.380 -5.115 36 HA ASP 5 HA ASP 5 -20.951 4.587 -3.811 37 HB2 ASP 5 2HB ASP 5 -22.291 5.643 -2.081 38 HB3 ASP 5 3HB ASP 5 -23.768 5.007 -2.798 39 H ILE 6 H ILE 6 -20.683 2.631 -4.594 40 HA ILE 6 HA ILE 6 -22.551 1.622 -6.556 41 HB ILE 6 HB ILE 6 -19.958 0.419 -5.563 42 HG12 ILE 6 2HG1 ILE 6 -20.545 2.054 -8.046 43 HG13 ILE 6 3HG1 ILE 6 -19.674 2.633 -6.630 44 HG21 ILE 6 1HG2 ILE 6 -21.440 -1.245 -6.561 45 HG22 ILE 6 2HG2 ILE 6 -20.049 -0.941 -7.601 46 HG23 ILE 6 3HG2 ILE 6 -21.619 -0.242 -7.998 47 HD11 ILE 6 3HD1 ILE 6 -17.912 1.009 -7.044 48 HD12 ILE 6 1HD1 ILE 6 -18.162 2.056 -8.440 49 HD13 ILE 6 2HD1 ILE 6 -18.789 0.408 -8.452 50 H GLN 7 H GLN 7 -24.330 0.678 -5.789 51 HA GLN 7 HA GLN 7 -24.065 -1.213 -3.556 52 HB2 GLN 7 2HB GLN 7 -26.380 0.453 -4.519 53 HB3 GLN 7 3HB GLN 7 -26.614 -0.927 -3.450 54 HG2 GLN 7 2HG GLN 7 -24.874 1.457 -2.857 55 HG3 GLN 7 3HG GLN 7 -26.506 1.199 -2.236 56 HE21 GLN 7 1HE2 GLN 7 -23.929 1.469 -0.849 57 HE22 GLN 7 2HE2 GLN 7 -23.780 0.037 0.120 58 H GLN 8 H GLN 8 -23.504 -3.051 -4.649 59 HA GLN 8 HA GLN 8 -25.604 -4.600 -5.702 60 HB2 GLN 8 2HB GLN 8 -25.061 -3.045 -7.658 61 HB3 GLN 8 3HB GLN 8 -23.528 -3.891 -7.777 62 HG2 GLN 8 2HG GLN 8 -25.183 -4.709 -9.381 63 HG3 GLN 8 3HG GLN 8 -24.655 -5.963 -8.264 64 HE21 GLN 8 1HE2 GLN 8 -27.084 -5.693 -9.904 65 HE22 GLN 8 2HE2 GLN 8 -28.413 -5.849 -8.801 66 H GLU 9 H GLU 9 -24.332 -6.593 -7.008 67 HA GLU 9 HA GLU 9 -22.657 -7.672 -4.899 68 HB2 GLU 9 2HB GLU 9 -23.835 -8.941 -7.377 69 HB3 GLU 9 3HB GLU 9 -22.908 -9.804 -6.158 70 HG2 GLU 9 2HG GLU 9 -25.528 -8.394 -5.712 71 HG3 GLU 9 3HG GLU 9 -25.300 -10.134 -5.878 72 H TYR 10 H TYR 10 -20.536 -7.981 -5.019 73 HA TYR 10 HA TYR 10 -19.216 -8.499 -7.509 74 HB2 TYR 10 2HB TYR 10 -19.287 -6.023 -7.565 75 HB3 TYR 10 3HB TYR 10 -18.451 -5.977 -6.015 76 HD1 TYR 10 HD1 TYR 10 -18.058 -7.336 -9.470 77 HD2 TYR 10 HD2 TYR 10 -16.133 -5.820 -5.989 78 HE1 TYR 10 HE1 TYR 10 -15.898 -7.409 -10.639 79 HE2 TYR 10 HE2 TYR 10 -13.965 -5.888 -7.152 80 HH TYR 10 HH TYR 10 -13.683 -6.306 -10.502 81 HA PRO 11 HA PRO 11 -17.106 -10.807 -4.249 82 HB2 PRO 11 2HB PRO 11 -15.859 -12.113 -6.573 83 HB3 PRO 11 3HB PRO 11 -16.797 -12.825 -5.258 84 HG2 PRO 11 2HG PRO 11 -17.786 -12.630 -7.743 85 HG3 PRO 11 3HG PRO 11 -18.815 -12.443 -6.310 86 HD2 PRO 11 2HD PRO 11 -17.650 -10.333 -8.099 87 HD3 PRO 11 3HD PRO 11 -19.279 -10.438 -7.394 88 H PHE 12 H PHE 12 -15.102 -10.622 -3.418 89 HA PHE 12 HA PHE 12 -12.967 -9.961 -3.078 90 HB2 PHE 12 2HB PHE 12 -12.431 -11.115 -5.214 91 HB3 PHE 12 3HB PHE 12 -12.758 -9.619 -6.079 92 HD1 PHE 12 HD1 PHE 12 -10.594 -11.041 -3.408 93 HD2 PHE 12 HD2 PHE 12 -11.049 -8.099 -6.451 94 HE1 PHE 12 HE1 PHE 12 -8.247 -10.372 -3.108 95 HE2 PHE 12 HE2 PHE 12 -8.703 -7.426 -6.155 96 HZ PHE 12 HZ PHE 12 -7.296 -8.564 -4.483 97 H THR 13 H THR 13 -13.552 -8.181 -1.951 98 HA THR 13 HA THR 13 -13.662 -5.644 -3.450 99 HB THR 13 HB THR 13 -14.800 -6.158 -0.696 100 HG1 THR 13 HG1 THR 13 -15.798 -6.725 -3.205 101 HG21 THR 13 3HG2 THR 13 -16.050 -4.075 -1.138 102 HG22 THR 13 1HG2 THR 13 -15.191 -3.902 -2.668 103 HG23 THR 13 2HG2 THR 13 -14.307 -3.815 -1.144 104 H VAL 14 H VAL 14 -12.069 -4.218 -3.056 105 HA VAL 14 HA VAL 14 -10.295 -4.758 -0.769 106 HB VAL 14 HB VAL 14 -9.595 -3.207 -3.267 107 HG11 VAL 14 1HG1 VAL 14 -7.905 -4.334 -1.039 108 HG12 VAL 14 2HG1 VAL 14 -8.234 -2.632 -1.355 109 HG13 VAL 14 3HG1 VAL 14 -7.279 -3.572 -2.501 110 HG21 VAL 14 3HG2 VAL 14 -9.026 -6.101 -2.611 111 HG22 VAL 14 1HG2 VAL 14 -8.329 -5.208 -3.965 112 HG23 VAL 14 2HG2 VAL 14 -10.065 -5.500 -3.903 113 H GLU 15 H GLU 15 -10.617 -3.391 0.872 114 HA GLU 15 HA GLU 15 -11.167 -0.580 0.213 115 HB2 GLU 15 2HB GLU 15 -12.730 -0.409 2.042 116 HB3 GLU 15 3HB GLU 15 -13.234 -1.728 0.995 117 HG2 GLU 15 2HG GLU 15 -12.167 -3.316 2.567 118 HG3 GLU 15 3HG GLU 15 -11.819 -1.961 3.638 119 H SER 16 H SER 16 -10.528 0.927 1.879 120 HA SER 16 HA SER 16 -8.782 -0.053 3.977 121 HB2 SER 16 2HB SER 16 -6.991 1.595 3.288 122 HB3 SER 16 3HB SER 16 -7.176 0.218 2.203 123 HG SER 16 HG SER 16 -7.140 1.923 0.858 124 H MET 17 H MET 17 -8.403 1.560 5.613 125 HA MET 17 HA MET 17 -10.575 3.330 6.023 126 HB2 MET 17 2HB MET 17 -7.868 3.245 7.367 127 HB3 MET 17 3HB MET 17 -9.226 4.209 7.925 128 HG2 MET 17 2HG MET 17 -10.523 2.146 8.258 129 HG3 MET 17 3HG MET 17 -9.117 1.206 7.761 130 HE1 MET 17 3HE MET 17 -9.205 0.478 11.594 131 HE2 MET 17 1HE MET 17 -9.111 -0.222 9.978 132 HE3 MET 17 2HE MET 17 -10.573 0.620 10.492 133 HA PRO 18 HA PRO 18 -9.498 6.501 3.118 134 HB2 PRO 18 2HB PRO 18 -10.967 8.130 5.154 135 HB3 PRO 18 3HB PRO 18 -11.145 8.103 3.395 136 HG2 PRO 18 2HG PRO 18 -12.906 6.847 4.922 137 HG3 PRO 18 3HG PRO 18 -12.335 6.103 3.415 138 HD2 PRO 18 2HD PRO 18 -11.625 5.456 6.238 139 HD3 PRO 18 3HD PRO 18 -11.784 4.377 4.838 140 H VAL 19 H VAL 19 -7.481 7.205 3.070 141 HA VAL 19 HA VAL 19 -6.193 8.217 5.474 142 HB VAL 19 HB VAL 19 -4.119 8.195 4.110 143 HG11 VAL 19 1HG1 VAL 19 -4.720 6.240 5.434 144 HG12 VAL 19 2HG1 VAL 19 -3.924 5.756 3.938 145 HG13 VAL 19 3HG1 VAL 19 -5.674 5.609 4.091 146 HG21 VAL 19 3HG2 VAL 19 -5.914 7.057 1.968 147 HG22 VAL 19 1HG2 VAL 19 -4.152 7.105 1.901 148 HG23 VAL 19 2HG2 VAL 19 -5.076 8.607 1.915 149 H ALA 20 H ALA 20 -4.509 10.056 4.887 150 HA ALA 20 HA ALA 20 -6.118 12.323 4.129 151 HB1 ALA 20 3HB ALA 20 -4.199 13.655 4.833 152 HB2 ALA 20 1HB ALA 20 -3.237 12.188 5.006 153 HB3 ALA 20 2HB ALA 20 -4.625 12.460 6.059 154 H ASP 21 H ASP 21 -5.600 13.817 2.506 155 HA ASP 21 HA ASP 21 -4.741 12.715 0.032 156 HB2 ASP 21 2HB ASP 21 -4.818 15.677 0.539 157 HB3 ASP 21 3HB ASP 21 -5.274 14.796 -0.913 158 H GLU 22 H GLU 22 -3.160 14.329 2.615 159 HA GLU 22 HA GLU 22 -0.811 14.871 0.939 160 HB2 GLU 22 2HB GLU 22 -1.929 16.538 3.192 161 HB3 GLU 22 3HB GLU 22 -0.424 16.865 2.344 162 HG2 GLU 22 2HG GLU 22 -1.584 17.275 0.299 163 HG3 GLU 22 3HG GLU 22 -3.109 16.739 1.002 164 H ILE 23 H ILE 23 1.187 15.144 2.160 165 HA ILE 23 HA ILE 23 1.350 13.910 4.772 166 HB ILE 23 HB ILE 23 1.504 11.971 3.265 167 HG12 ILE 23 2HG1 ILE 23 4.201 12.637 4.450 168 HG13 ILE 23 3HG1 ILE 23 2.825 12.039 5.371 169 HG21 ILE 23 1HG2 ILE 23 3.421 11.730 1.732 170 HG22 ILE 23 2HG2 ILE 23 3.857 13.410 2.050 171 HG23 ILE 23 3HG2 ILE 23 2.326 13.029 1.260 172 HD11 ILE 23 3HD1 ILE 23 4.276 10.587 3.174 173 HD12 ILE 23 1HD1 ILE 23 2.848 9.987 4.017 174 HD13 ILE 23 2HD1 ILE 23 4.353 10.241 4.901 175 H ALA 24 H ALA 24 3.175 14.599 5.907 176 HA ALA 24 HA ALA 24 4.120 17.133 5.289 177 HB1 ALA 24 3HB ALA 24 4.113 16.145 7.541 178 HB2 ALA 24 1HB ALA 24 5.659 16.887 7.124 179 HB3 ALA 24 2HB ALA 24 5.480 15.133 7.078 180 H GLY 25 H GLY 25 5.652 14.022 4.603 181 HA2 GLY 25 2HA GLY 25 7.041 14.063 2.518 182 HA3 GLY 25 3HA GLY 25 7.812 15.487 3.208 183 H ASP 26 H ASP 26 7.881 14.483 5.893 184 HA ASP 26 HA ASP 26 9.727 12.192 5.646 185 HB2 ASP 26 2HB ASP 26 10.810 13.001 7.717 186 HB3 ASP 26 3HB ASP 26 10.896 14.204 6.436 187 H GLU 27 H GLU 27 6.750 12.720 6.148 188 HA GLU 27 HA GLU 27 6.244 11.874 8.849 189 HB2 GLU 27 2HB GLU 27 4.861 13.547 7.695 190 HB3 GLU 27 3HB GLU 27 4.403 12.351 6.498 191 HG2 GLU 27 2HG GLU 27 3.343 11.039 8.342 192 HG3 GLU 27 3HG GLU 27 3.659 12.411 9.409 193 H THR 28 H THR 28 5.324 9.938 9.503 194 HA THR 28 HA THR 28 5.290 7.774 7.513 195 HB THR 28 HB THR 28 5.227 7.566 10.536 196 HG1 THR 28 HG1 THR 28 7.284 8.058 10.217 197 HG21 THR 28 3HG2 THR 28 5.718 5.187 10.138 198 HG22 THR 28 1HG2 THR 28 5.579 5.456 8.400 199 HG23 THR 28 2HG2 THR 28 4.170 5.662 9.441 200 H VAL 29 H VAL 29 3.344 7.423 6.660 201 HA VAL 29 HA VAL 29 0.963 7.830 8.337 202 HB VAL 29 HB VAL 29 -0.329 7.750 6.200 203 HG11 VAL 29 1HG1 VAL 29 1.837 9.842 6.326 204 HG12 VAL 29 2HG1 VAL 29 0.303 9.876 7.195 205 HG13 VAL 29 3HG1 VAL 29 0.321 9.978 5.434 206 HG21 VAL 29 3HG2 VAL 29 1.200 6.471 4.825 207 HG22 VAL 29 1HG2 VAL 29 2.415 7.746 4.940 208 HG23 VAL 29 2HG2 VAL 29 0.904 8.042 4.080 209 H GLU 30 H GLU 30 -0.422 6.139 8.771 210 HA GLU 30 HA GLU 30 0.554 3.533 7.842 211 HB2 GLU 30 2HB GLU 30 -0.476 2.512 9.792 212 HB3 GLU 30 3HB GLU 30 0.644 3.772 10.274 213 HG2 GLU 30 2HG GLU 30 -2.332 4.162 10.123 214 HG3 GLU 30 3HG GLU 30 -1.487 3.638 11.575 215 H ILE 31 H ILE 31 -0.509 2.880 6.147 216 HA ILE 31 HA ILE 31 -3.295 3.551 5.737 217 HB ILE 31 HB ILE 31 -1.415 1.865 4.062 218 HG12 ILE 31 2HG1 ILE 31 -1.801 3.867 2.460 219 HG13 ILE 31 3HG1 ILE 31 -2.338 4.725 3.901 220 HG21 ILE 31 1HG2 ILE 31 -4.213 2.797 3.430 221 HG22 ILE 31 2HG2 ILE 31 -3.725 1.139 3.779 222 HG23 ILE 31 3HG2 ILE 31 -3.131 1.945 2.327 223 HD11 ILE 31 3HD1 ILE 31 -0.162 4.333 4.937 224 HD12 ILE 31 1HD1 ILE 31 -0.017 5.206 3.411 225 HD13 ILE 31 2HD1 ILE 31 0.373 3.487 3.485 226 H ARG 32 H ARG 32 -4.857 2.401 6.604 227 HA ARG 32 HA ARG 32 -4.299 -0.299 7.548 228 HB2 ARG 32 2HB ARG 32 -6.859 1.240 7.950 229 HB3 ARG 32 3HB ARG 32 -6.253 -0.118 8.889 230 HG2 ARG 32 2HG ARG 32 -5.643 1.499 10.326 231 HG3 ARG 32 3HG ARG 32 -4.248 1.632 9.251 232 HD2 ARG 32 2HD ARG 32 -5.639 3.322 7.938 233 HD3 ARG 32 3HD ARG 32 -6.721 3.343 9.327 234 HE ARG 32 HE ARG 32 -3.879 4.133 9.434 235 HH11 ARG 32 1HH1 ARG 32 -7.210 4.480 10.484 236 HH12 ARG 32 2HH1 ARG 32 -6.884 5.879 11.461 237 HH21 ARG 32 1HH2 ARG 32 -3.456 5.977 10.730 238 HH22 ARG 32 2HH2 ARG 32 -4.762 6.711 11.618 239 H LEU 33 H LEU 33 -4.486 -1.751 6.029 240 HA LEU 33 HA LEU 33 -6.540 -1.407 3.956 241 HB2 LEU 33 2HB LEU 33 -4.206 -1.552 3.202 242 HB3 LEU 33 3HB LEU 33 -4.051 -3.117 3.976 243 HG LEU 33 HG LEU 33 -5.801 -3.996 2.431 244 HD11 LEU 33 1HD1 LEU 33 -5.471 -1.311 1.104 245 HD12 LEU 33 2HD1 LEU 33 -6.927 -1.913 1.897 246 HD13 LEU 33 3HD1 LEU 33 -6.335 -2.691 0.428 247 HD21 LEU 33 3HD2 LEU 33 -3.374 -2.780 1.130 248 HD22 LEU 33 1HD2 LEU 33 -4.336 -4.110 0.486 249 HD23 LEU 33 2HD2 LEU 33 -3.430 -4.320 1.987 250 H GLU 34 H GLU 34 -8.189 -2.777 3.786 251 HA GLU 34 HA GLU 34 -7.988 -5.405 5.081 252 HB2 GLU 34 2HB GLU 34 -10.410 -3.596 5.277 253 HB3 GLU 34 3HB GLU 34 -10.234 -5.192 5.994 254 HG2 GLU 34 2HG GLU 34 -8.473 -4.364 7.451 255 HG3 GLU 34 3HG GLU 34 -8.601 -2.769 6.714 256 H ILE 35 H ILE 35 -8.149 -6.800 3.443 257 HA ILE 35 HA ILE 35 -9.849 -6.103 1.158 258 HB ILE 35 HB ILE 35 -7.861 -8.371 1.338 259 HG12 ILE 35 2HG1 ILE 35 -7.467 -5.625 0.132 260 HG13 ILE 35 3HG1 ILE 35 -6.772 -6.160 1.657 261 HG21 ILE 35 1HG2 ILE 35 -9.571 -8.631 -0.385 262 HG22 ILE 35 2HG2 ILE 35 -7.985 -8.349 -1.102 263 HG23 ILE 35 3HG2 ILE 35 -9.167 -7.042 -1.034 264 HD11 ILE 35 3HD1 ILE 35 -6.208 -7.353 -1.046 265 HD12 ILE 35 1HD1 ILE 35 -5.499 -7.869 0.484 266 HD13 ILE 35 2HD1 ILE 35 -5.152 -6.260 -0.150 267 H LYS 36 H LYS 36 -11.544 -7.317 0.522 268 HA LYS 36 HA LYS 36 -12.313 -9.602 2.210 269 HB2 LYS 36 2HB LYS 36 -14.001 -8.016 0.253 270 HB3 LYS 36 3HB LYS 36 -14.574 -9.261 1.356 271 HG2 LYS 36 2HG LYS 36 -14.030 -7.877 3.259 272 HG3 LYS 36 3HG LYS 36 -13.345 -6.647 2.198 273 HD2 LYS 36 2HD LYS 36 -15.481 -5.848 2.720 274 HD3 LYS 36 3HD LYS 36 -15.657 -6.548 1.112 275 HE2 LYS 36 2HE LYS 36 -16.301 -8.046 3.639 276 HE3 LYS 36 3HE LYS 36 -17.489 -7.078 2.771 277 HZ1 LYS 36 3HZ LYS 36 -17.676 -9.373 2.147 278 HZ2 LYS 36 1HZ LYS 36 -16.039 -9.452 1.715 279 HZ3 LYS 36 2HZ LYS 36 -17.109 -8.489 0.816 280 HA PRO 37 HA PRO 37 -10.729 -11.624 -1.519 281 HB2 PRO 37 2HB PRO 37 -10.247 -14.023 -0.392 282 HB3 PRO 37 3HB PRO 37 -9.185 -12.632 -0.148 283 HG2 PRO 37 2HG PRO 37 -11.326 -13.718 1.646 284 HG3 PRO 37 3HG PRO 37 -9.692 -13.166 2.063 285 HD2 PRO 37 2HD PRO 37 -11.898 -11.620 2.406 286 HD3 PRO 37 3HD PRO 37 -10.296 -10.947 2.040 287 H SER 38 H SER 38 -11.308 -13.445 -2.808 288 HA SER 38 HA SER 38 -13.679 -14.962 -2.093 289 HB2 SER 38 2HB SER 38 -14.715 -14.508 -4.327 290 HB3 SER 38 3HB SER 38 -14.646 -13.083 -3.289 291 HG SER 38 HG SER 38 -12.604 -13.652 -5.159 292 H GLY 39 H GLY 39 -12.885 -16.955 -2.232 293 HA2 GLY 39 2HA GLY 39 -12.220 -18.325 -4.495 294 HA3 GLY 39 3HA GLY 39 -10.692 -17.632 -3.960 295 H ASN 40 H ASN 40 -10.719 -17.759 -1.351 296 HA ASN 40 HA ASN 40 -10.788 -18.908 0.587 297 HB2 ASN 40 2HB ASN 40 -12.755 -20.676 -0.873 298 HB3 ASN 40 3HB ASN 40 -12.386 -20.803 0.844 299 HD21 ASN 40 1HD2 ASN 40 -14.500 -20.342 1.459 300 HD22 ASN 40 2HD2 ASN 40 -15.177 -18.752 1.317 301 H PHE 41 H PHE 41 -9.817 -20.635 1.634 302 HA PHE 41 HA PHE 41 -8.231 -22.210 1.956 303 HB2 PHE 41 2HB PHE 41 -9.220 -23.221 -0.711 304 HB3 PHE 41 3HB PHE 41 -7.976 -24.041 0.223 305 HD1 PHE 41 HD1 PHE 41 -8.750 -24.274 2.840 306 HD2 PHE 41 HD2 PHE 41 -11.296 -24.154 -0.569 307 HE1 PHE 41 HE1 PHE 41 -10.478 -25.498 4.091 308 HE2 PHE 41 HE2 PHE 41 -13.028 -25.379 0.678 309 HZ PHE 41 HZ PHE 41 -12.620 -26.052 3.015 310 H ILE 42 H ILE 42 -7.717 -22.292 -1.513 311 HA ILE 42 HA ILE 42 -5.212 -20.801 -1.199 312 HB ILE 42 HB ILE 42 -5.389 -23.516 -2.535 313 HG12 ILE 42 2HG1 ILE 42 -3.961 -22.692 0.004 314 HG13 ILE 42 3HG1 ILE 42 -5.427 -23.665 -0.071 315 HG21 ILE 42 1HG2 ILE 42 -3.830 -22.013 -3.656 316 HG22 ILE 42 2HG2 ILE 42 -2.967 -23.303 -2.820 317 HG23 ILE 42 3HG2 ILE 42 -3.023 -21.686 -2.121 318 HD11 ILE 42 3HD1 ILE 42 -4.199 -25.408 -1.265 319 HD12 ILE 42 1HD1 ILE 42 -3.485 -25.054 0.308 320 HD13 ILE 42 2HD1 ILE 42 -2.731 -24.434 -1.160 321 H GLY 43 H GLY 43 -4.911 -19.418 -2.826 322 HA2 GLY 43 2HA GLY 43 -6.319 -19.939 -5.369 323 HA3 GLY 43 3HA GLY 43 -6.053 -18.322 -4.723 324 H THR 44 H THR 44 -4.407 -21.202 -5.917 325 HA THR 44 HA THR 44 -2.375 -21.555 -6.850 326 HB THR 44 HB THR 44 -2.425 -18.668 -7.743 327 HG1 THR 44 HG1 THR 44 -4.174 -19.150 -8.811 328 HG21 THR 44 3HG2 THR 44 -0.367 -19.894 -8.225 329 HG22 THR 44 1HG2 THR 44 -1.256 -19.576 -9.713 330 HG23 THR 44 2HG2 THR 44 -1.297 -21.184 -8.987 331 H VAL 45 H VAL 45 -1.248 -18.346 -6.752 332 HA VAL 45 HA VAL 45 -0.082 -18.543 -4.096 333 HB VAL 45 HB VAL 45 1.662 -18.068 -6.528 334 HG11 VAL 45 1HG1 VAL 45 3.513 -18.013 -4.929 335 HG12 VAL 45 2HG1 VAL 45 2.372 -18.212 -3.600 336 HG13 VAL 45 3HG1 VAL 45 2.329 -16.751 -4.586 337 HG21 VAL 45 3HG2 VAL 45 1.103 -20.435 -6.319 338 HG22 VAL 45 1HG2 VAL 45 1.635 -20.419 -4.638 339 HG23 VAL 45 2HG2 VAL 45 2.801 -20.151 -5.933 340 H TYR 46 H TYR 46 -1.354 -16.789 -3.551 341 HA TYR 46 HA TYR 46 -1.630 -14.452 -5.076 342 HB2 TYR 46 2HB TYR 46 -1.890 -14.875 -2.095 343 HB3 TYR 46 3HB TYR 46 -2.313 -13.374 -2.914 344 HD1 TYR 46 HD2 TYR 46 -3.975 -13.696 -4.961 345 HD2 TYR 46 HD1 TYR 46 -3.574 -16.405 -1.706 346 HE1 TYR 46 HE2 TYR 46 -6.229 -14.569 -5.420 347 HE2 TYR 46 HE1 TYR 46 -5.825 -17.287 -2.154 348 HH TYR 46 HH TYR 46 -7.528 -16.614 -5.018 349 H THR 47 H THR 47 -0.060 -13.212 -5.711 350 HA THR 47 HA THR 47 2.338 -12.944 -4.055 351 HB THR 47 HB THR 47 1.992 -12.107 -6.939 352 HG1 THR 47 HG1 THR 47 1.783 -14.522 -6.147 353 HG21 THR 47 3HG2 THR 47 4.424 -12.703 -5.246 354 HG22 THR 47 1HG2 THR 47 3.909 -11.116 -5.816 355 HG23 THR 47 2HG2 THR 47 4.454 -12.331 -6.972 356 H LEU 48 H LEU 48 2.931 -11.026 -3.227 357 HA LEU 48 HA LEU 48 1.240 -8.693 -3.861 358 HB2 LEU 48 2HB LEU 48 0.831 -9.547 -1.606 359 HB3 LEU 48 3HB LEU 48 2.544 -9.470 -1.247 360 HG LEU 48 HG LEU 48 2.448 -7.000 -1.485 361 HD11 LEU 48 1HD1 LEU 48 -0.524 -7.467 -1.710 362 HD12 LEU 48 2HD1 LEU 48 0.531 -6.815 -2.964 363 HD13 LEU 48 3HD1 LEU 48 0.255 -5.900 -1.481 364 HD21 LEU 48 3HD2 LEU 48 1.268 -6.611 0.634 365 HD22 LEU 48 1HD2 LEU 48 2.307 -8.037 0.701 366 HD23 LEU 48 2HD2 LEU 48 0.562 -8.223 0.523 367 H ARG 49 H ARG 49 2.401 -7.268 -5.028 368 HA ARG 49 HA ARG 49 5.223 -6.918 -4.276 369 HB2 ARG 49 2HB ARG 49 5.774 -6.516 -6.664 370 HB3 ARG 49 3HB ARG 49 5.260 -8.161 -6.330 371 HG2 ARG 49 2HG ARG 49 3.056 -7.665 -7.236 372 HG3 ARG 49 3HG ARG 49 3.557 -6.000 -7.539 373 HD2 ARG 49 2HD ARG 49 5.123 -6.660 -9.173 374 HD3 ARG 49 3HD ARG 49 5.020 -8.354 -8.698 375 HE ARG 49 HE ARG 49 2.914 -8.511 -9.784 376 HH11 ARG 49 1HH1 ARG 49 4.480 -5.402 -10.238 377 HH12 ARG 49 2HH1 ARG 49 3.572 -5.006 -11.666 378 HH21 ARG 49 1HH2 ARG 49 1.756 -8.021 -11.687 379 HH22 ARG 49 2HH2 ARG 49 2.061 -6.515 -12.516 380 H TYR 50 H TYR 50 5.981 -4.900 -4.181 381 HA TYR 50 HA TYR 50 3.997 -2.756 -4.502 382 HB2 TYR 50 2HB TYR 50 6.446 -2.915 -2.732 383 HB3 TYR 50 3HB TYR 50 5.390 -1.514 -2.861 384 HD1 TYR 50 HD1 TYR 50 5.587 -5.020 -1.723 385 HD2 TYR 50 HD2 TYR 50 3.329 -1.416 -1.699 386 HE1 TYR 50 HE1 TYR 50 4.156 -5.934 0.056 387 HE2 TYR 50 HE2 TYR 50 1.897 -2.315 0.079 388 HH TYR 50 HH TYR 50 2.674 -5.127 1.824 389 H PHE 51 H PHE 51 4.627 -0.809 -5.476 390 HA PHE 51 HA PHE 51 7.329 -0.532 -6.469 391 HB2 PHE 51 2HB PHE 51 6.191 -1.891 -8.210 392 HB3 PHE 51 3HB PHE 51 4.992 -0.617 -8.392 393 HD1 PHE 51 HD1 PHE 51 8.633 -1.279 -8.647 394 HD2 PHE 51 HD2 PHE 51 5.345 1.115 -9.899 395 HE1 PHE 51 HE1 PHE 51 10.069 -0.186 -10.318 396 HE2 PHE 51 HE2 PHE 51 6.776 2.211 -11.574 397 HZ PHE 51 HZ PHE 51 9.142 1.558 -11.784 398 H GLN 52 H GLN 52 7.896 1.546 -6.331 399 HA GLN 52 HA GLN 52 5.764 3.572 -6.435 400 HB2 GLN 52 2HB GLN 52 8.244 3.445 -4.741 401 HB3 GLN 52 3HB GLN 52 7.509 4.993 -5.131 402 HG2 GLN 52 2HG GLN 52 6.710 4.355 -3.005 403 HG3 GLN 52 3HG GLN 52 5.383 4.133 -4.139 404 HE21 GLN 52 1HE2 GLN 52 4.323 2.679 -2.828 405 HE22 GLN 52 2HE2 GLN 52 4.896 1.072 -2.562 406 HA PRO 53 HA PRO 53 8.107 4.436 -10.239 407 HB2 PRO 53 2HB PRO 53 5.909 6.421 -10.441 408 HB3 PRO 53 3HB PRO 53 6.480 5.250 -11.635 409 HG2 PRO 53 2HG PRO 53 4.178 4.872 -10.333 410 HG3 PRO 53 3HG PRO 53 5.251 3.516 -10.723 411 HD2 PRO 53 2HD PRO 53 4.819 4.906 -8.115 412 HD3 PRO 53 3HD PRO 53 5.104 3.184 -8.445 413 H ASP 54 H ASP 54 6.434 7.070 -8.519 414 HA ASP 54 HA ASP 54 9.021 8.452 -8.314 415 HB2 ASP 54 2HB ASP 54 7.517 9.543 -9.978 416 HB3 ASP 54 3HB ASP 54 6.336 9.794 -8.693 417 H GLY 55 H GLY 55 9.529 8.029 -6.271 418 HA2 GLY 55 2HA GLY 55 8.679 9.364 -4.095 419 HA3 GLY 55 3HA GLY 55 7.539 8.025 -4.165 420 H LYS 56 H LYS 56 9.996 8.867 -2.431 421 HA LYS 56 HA LYS 56 11.188 6.188 -2.398 422 HB2 LYS 56 2HB LYS 56 12.747 8.772 -2.188 423 HB3 LYS 56 3HB LYS 56 13.415 7.153 -2.017 424 HG2 LYS 56 2HG LYS 56 12.721 6.676 -4.349 425 HG3 LYS 56 3HG LYS 56 12.210 8.358 -4.497 426 HD2 LYS 56 2HD LYS 56 14.400 8.143 -5.445 427 HD3 LYS 56 3HD LYS 56 14.536 9.044 -3.933 428 HE2 LYS 56 2HE LYS 56 15.276 7.031 -2.783 429 HE3 LYS 56 3HE LYS 56 15.085 6.099 -4.268 430 HZ1 LYS 56 3HZ LYS 56 16.969 8.370 -3.900 431 HZ2 LYS 56 1HZ LYS 56 16.802 7.426 -5.302 432 HZ3 LYS 56 2HZ LYS 56 17.390 6.724 -3.874 433 H GLY 57 H GLY 57 11.639 5.381 -0.403 434 HA2 GLY 57 2HA GLY 57 11.973 6.732 1.974 435 HA3 GLY 57 3HA GLY 57 10.234 6.552 1.778 436 H SER 58 H SER 58 9.819 5.099 3.344 437 HA SER 58 HA SER 58 10.786 2.389 2.848 438 HB2 SER 58 2HB SER 58 10.872 3.691 5.582 439 HB3 SER 58 3HB SER 58 11.300 2.020 5.216 440 HG SER 58 HG SER 58 12.747 3.369 3.580 441 H LEU 59 H LEU 59 8.957 1.316 2.481 442 HA LEU 59 HA LEU 59 6.562 1.937 4.031 443 HB2 LEU 59 2HB LEU 59 6.365 1.618 1.580 444 HB3 LEU 59 3HB LEU 59 6.962 -0.020 1.758 445 HG LEU 59 HG LEU 59 4.983 -0.642 3.032 446 HD11 LEU 59 1HD1 LEU 59 3.120 0.904 3.316 447 HD12 LEU 59 2HD1 LEU 59 4.067 2.196 2.578 448 HD13 LEU 59 3HD1 LEU 59 4.567 1.507 4.123 449 HD21 LEU 59 3HD2 LEU 59 3.310 -0.391 1.239 450 HD22 LEU 59 1HD2 LEU 59 4.888 -0.890 0.631 451 HD23 LEU 59 2HD2 LEU 59 4.363 0.782 0.448 452 H LYS 60 H LYS 60 6.403 0.989 5.918 453 HA LYS 60 HA LYS 60 7.849 -1.527 6.377 454 HB2 LYS 60 2HB LYS 60 6.733 0.381 8.434 455 HB3 LYS 60 3HB LYS 60 7.896 -0.910 8.696 456 HG2 LYS 60 2HG LYS 60 9.598 0.287 7.523 457 HG3 LYS 60 3HG LYS 60 8.443 1.513 6.991 458 HD2 LYS 60 2HD LYS 60 8.063 2.120 9.359 459 HD3 LYS 60 3HD LYS 60 9.309 0.962 9.827 460 HE2 LYS 60 2HE LYS 60 10.953 2.211 8.500 461 HE3 LYS 60 3HE LYS 60 9.702 3.373 8.053 462 HZ1 LYS 60 3HZ LYS 60 9.494 4.048 10.322 463 HZ2 LYS 60 1HZ LYS 60 11.140 4.106 9.911 464 HZ3 LYS 60 2HZ LYS 60 10.544 2.822 10.845 465 H MET 61 H MET 61 6.828 -3.264 7.392 466 HA MET 61 HA MET 61 3.940 -3.312 7.251 467 HB2 MET 61 2HB MET 61 5.925 -5.409 8.156 468 HB3 MET 61 3HB MET 61 4.187 -5.663 8.062 469 HG2 MET 61 2HG MET 61 4.340 -5.090 5.626 470 HG3 MET 61 3HG MET 61 6.093 -5.129 5.801 471 HE1 MET 61 3HE MET 61 3.327 -8.776 6.406 472 HE2 MET 61 1HE MET 61 2.765 -7.197 5.859 473 HE3 MET 61 2HE MET 61 3.356 -7.400 7.509 474 H GLU 62 H GLU 62 3.159 -4.791 9.377 475 HA GLU 62 HA GLU 62 2.850 -2.810 11.351 476 HB2 GLU 62 2HB GLU 62 2.257 -5.761 11.570 477 HB3 GLU 62 3HB GLU 62 1.580 -4.483 12.568 478 HG2 GLU 62 2HG GLU 62 0.433 -3.550 10.658 479 HG3 GLU 62 3HG GLU 62 1.164 -4.757 9.601 480 H ASP 63 H ASP 63 5.315 -5.133 10.899 481 HA ASP 63 HA ASP 63 6.135 -4.929 13.712 482 HB2 ASP 63 2HB ASP 63 7.410 -6.879 13.435 483 HB3 ASP 63 3HB ASP 63 5.955 -7.197 12.500 484 H GLY 64 H GLY 64 6.693 -3.533 10.732 485 HA2 GLY 64 2HA GLY 64 8.134 -1.610 10.637 486 HA3 GLY 64 3HA GLY 64 9.243 -2.443 11.713 487 H THR 65 H THR 65 8.322 -4.760 9.584 488 HA THR 65 HA THR 65 10.811 -4.781 8.252 489 HB THR 65 HB THR 65 8.260 -6.270 7.612 490 HG1 THR 65 HG1 THR 65 8.950 -7.082 9.502 491 HG21 THR 65 3HG2 THR 65 9.703 -6.186 5.638 492 HG22 THR 65 1HG2 THR 65 9.681 -7.808 6.327 493 HG23 THR 65 2HG2 THR 65 11.069 -6.754 6.600 494 H VAL 66 H VAL 66 11.489 -3.573 6.657 495 HA VAL 66 HA VAL 66 9.724 -1.860 5.180 496 HB VAL 66 HB VAL 66 12.689 -2.343 4.795 497 HG11 VAL 66 1HG1 VAL 66 12.679 -0.170 3.666 498 HG12 VAL 66 2HG1 VAL 66 10.927 -0.089 3.841 499 HG13 VAL 66 3HG1 VAL 66 11.655 -1.340 2.832 500 HG21 VAL 66 3HG2 VAL 66 12.257 -1.554 7.036 501 HG22 VAL 66 1HG2 VAL 66 11.222 -0.267 6.418 502 HG23 VAL 66 2HG2 VAL 66 12.952 -0.244 6.081 503 H LEU 67 H LEU 67 8.916 -2.134 3.217 504 HA LEU 67 HA LEU 67 9.412 -4.669 1.854 505 HB2 LEU 67 2HB LEU 67 7.285 -2.577 1.388 506 HB3 LEU 67 3HB LEU 67 7.342 -4.178 0.668 507 HG LEU 67 HG LEU 67 7.169 -3.779 3.651 508 HD11 LEU 67 1HD1 LEU 67 4.872 -4.142 1.732 509 HD12 LEU 67 2HD1 LEU 67 5.262 -2.651 2.589 510 HD13 LEU 67 3HD1 LEU 67 4.771 -4.084 3.491 511 HD21 LEU 67 3HD2 LEU 67 6.502 -6.090 1.829 512 HD22 LEU 67 1HD2 LEU 67 6.274 -6.063 3.579 513 HD23 LEU 67 2HD2 LEU 67 7.899 -5.971 2.900 514 H LYS 68 H LYS 68 10.159 -4.821 -0.212 515 HA LYS 68 HA LYS 68 11.569 -2.504 -1.243 516 HB2 LYS 68 2HB LYS 68 11.528 -5.406 -2.067 517 HB3 LYS 68 3HB LYS 68 12.463 -4.176 -2.906 518 HG2 LYS 68 2HG LYS 68 13.745 -3.748 -0.888 519 HG3 LYS 68 3HG LYS 68 12.779 -4.938 -0.012 520 HD2 LYS 68 2HD LYS 68 13.600 -6.718 -1.378 521 HD3 LYS 68 3HD LYS 68 14.392 -5.584 -2.472 522 HE2 LYS 68 2HE LYS 68 16.011 -6.623 -0.984 523 HE3 LYS 68 3HE LYS 68 15.894 -4.892 -0.682 524 HZ1 LYS 68 3HZ LYS 68 14.733 -7.078 0.955 525 HZ2 LYS 68 1HZ LYS 68 14.384 -5.434 1.195 526 HZ3 LYS 68 2HZ LYS 68 15.967 -6.006 1.391 527 HA PRO 69 HA PRO 69 8.336 -1.652 -4.235 528 HB2 PRO 69 2HB PRO 69 10.170 0.389 -5.232 529 HB3 PRO 69 3HB PRO 69 8.609 0.593 -4.435 530 HG2 PRO 69 2HG PRO 69 10.951 1.278 -3.263 531 HG3 PRO 69 3HG PRO 69 9.545 0.712 -2.340 532 HD2 PRO 69 2HD PRO 69 12.000 -0.795 -3.175 533 HD3 PRO 69 3HD PRO 69 11.130 -0.824 -1.624 534 H ASN 70 H ASN 70 9.010 -3.754 -5.237 535 HA ASN 70 HA ASN 70 9.690 -3.745 -7.875 536 HB2 ASN 70 2HB ASN 70 11.880 -2.766 -7.200 537 HB3 ASN 70 3HB ASN 70 12.192 -4.193 -6.217 538 HD21 ASN 70 1HD2 ASN 70 12.037 -2.890 -9.416 539 HD22 ASN 70 2HD2 ASN 70 12.754 -4.251 -10.226 540 H ASP 71 H ASP 71 10.144 -5.332 -4.782 541 HA ASP 71 HA ASP 71 10.614 -7.913 -6.021 542 HB2 ASP 71 2HB ASP 71 11.938 -7.158 -4.060 543 HB3 ASP 71 3HB ASP 71 10.470 -7.204 -3.088 544 H ARG 72 H ARG 72 9.446 -9.813 -5.467 545 HA ARG 72 HA ARG 72 6.571 -9.297 -5.215 546 HB2 ARG 72 2HB ARG 72 8.054 -11.728 -6.244 547 HB3 ARG 72 3HB ARG 72 6.308 -11.532 -6.230 548 HG2 ARG 72 2HG ARG 72 6.385 -9.846 -7.881 549 HG3 ARG 72 3HG ARG 72 8.132 -9.665 -7.716 550 HD2 ARG 72 2HD ARG 72 7.677 -10.895 -9.723 551 HD3 ARG 72 3HD ARG 72 8.403 -11.987 -8.548 552 HE ARG 72 HE ARG 72 5.558 -11.949 -9.337 553 HH11 ARG 72 1HH1 ARG 72 8.261 -13.533 -7.765 554 HH12 ARG 72 2HH1 ARG 72 7.500 -15.097 -7.741 555 HH21 ARG 72 1HH2 ARG 72 4.557 -14.015 -9.326 556 HH22 ARG 72 2HH2 ARG 72 5.400 -15.376 -8.641 557 H TYR 73 H TYR 73 5.924 -9.469 -3.150 558 HA TYR 73 HA TYR 73 7.052 -11.535 -1.419 559 HB2 TYR 73 2HB TYR 73 5.073 -9.310 -0.845 560 HB3 TYR 73 3HB TYR 73 5.706 -10.430 0.359 561 HD1 TYR 73 HD2 TYR 73 6.595 -7.653 -1.914 562 HD2 TYR 73 HD1 TYR 73 7.868 -10.119 1.309 563 HE1 TYR 73 HE2 TYR 73 8.514 -6.162 -1.538 564 HE2 TYR 73 HE1 TYR 73 9.786 -8.638 1.692 565 HH TYR 73 HH TYR 73 11.148 -7.028 0.359 566 H LEU 74 H LEU 74 4.979 -12.266 0.164 567 HA LEU 74 HA LEU 74 3.084 -13.489 -1.729 568 HB2 LEU 74 2HB LEU 74 4.794 -15.030 -0.707 569 HB3 LEU 74 3HB LEU 74 4.074 -14.698 0.855 570 HG LEU 74 HG LEU 74 2.307 -15.740 -1.315 571 HD11 LEU 74 1HD1 LEU 74 4.293 -17.158 -1.430 572 HD12 LEU 74 2HD1 LEU 74 2.914 -18.031 -0.758 573 HD13 LEU 74 3HD1 LEU 74 4.190 -17.443 0.308 574 HD21 LEU 74 3HD2 LEU 74 1.224 -16.846 0.586 575 HD22 LEU 74 1HD2 LEU 74 1.346 -15.104 0.838 576 HD23 LEU 74 2HD2 LEU 74 2.457 -16.195 1.666 577 H LEU 75 H LEU 75 0.973 -13.302 -1.313 578 HA LEU 75 HA LEU 75 0.223 -11.753 1.072 579 HB2 LEU 75 2HB LEU 75 -0.256 -10.751 -1.143 580 HB3 LEU 75 3HB LEU 75 -1.269 -12.129 -1.528 581 HG LEU 75 HG LEU 75 -2.746 -11.512 0.388 582 HD11 LEU 75 1HD1 LEU 75 -1.082 -10.244 1.679 583 HD12 LEU 75 2HD1 LEU 75 -2.540 -9.302 1.372 584 HD13 LEU 75 3HD1 LEU 75 -1.081 -8.997 0.432 585 HD21 LEU 75 3HD2 LEU 75 -3.251 -10.871 -1.928 586 HD22 LEU 75 1HD2 LEU 75 -2.356 -9.370 -1.697 587 HD23 LEU 75 2HD2 LEU 75 -3.825 -9.670 -0.770 588 H ASN 76 H ASN 76 -0.307 -13.188 2.629 589 HA ASN 76 HA ASN 76 -2.152 -15.372 1.919 590 HB2 ASN 76 2HB ASN 76 -0.017 -16.036 3.028 591 HB3 ASN 76 3HB ASN 76 -0.488 -15.084 4.434 592 HD21 ASN 76 1HD2 ASN 76 -2.649 -17.037 2.455 593 HD22 ASN 76 2HD2 ASN 76 -3.035 -18.185 3.687 594 H GLU 77 H GLU 77 -1.601 -12.743 4.200 595 HA GLU 77 HA GLU 77 -4.330 -13.046 5.211 596 HB2 GLU 77 2HB GLU 77 -2.014 -11.395 6.242 597 HB3 GLU 77 3HB GLU 77 -3.612 -11.457 6.978 598 HG2 GLU 77 2HG GLU 77 -3.358 -13.810 7.441 599 HG3 GLU 77 3HG GLU 77 -1.809 -13.836 6.601 600 H TRP 78 H TRP 78 -5.726 -11.185 5.305 601 HA TRP 78 HA TRP 78 -5.273 -9.570 2.886 602 HB2 TRP 78 2HB TRP 78 -7.873 -10.616 4.021 603 HB3 TRP 78 3HB TRP 78 -7.711 -9.648 2.559 604 HD1 TRP 78 HD1 TRP 78 -7.082 -13.174 3.897 605 HE1 TRP 78 HE1 TRP 78 -6.678 -14.758 1.908 606 HE3 TRP 78 HE3 TRP 78 -6.891 -9.722 0.138 607 HZ2 TRP 78 HZ2 TRP 78 -6.329 -14.568 -0.888 608 HZ3 TRP 78 HZ3 TRP 78 -6.522 -10.504 -2.161 609 HH2 TRP 78 HH2 TRP 78 -6.244 -12.874 -2.666 610 H LYS 79 H LYS 79 -5.799 -9.379 6.234 611 HA LYS 79 HA LYS 79 -6.402 -6.503 5.935 612 HB2 LYS 79 2HB LYS 79 -7.088 -8.275 8.296 613 HB3 LYS 79 3HB LYS 79 -7.479 -6.569 8.132 614 HG2 LYS 79 2HG LYS 79 -8.978 -7.056 6.290 615 HG3 LYS 79 3HG LYS 79 -8.538 -8.765 6.359 616 HD2 LYS 79 2HD LYS 79 -9.386 -8.802 8.717 617 HD3 LYS 79 3HD LYS 79 -9.986 -7.162 8.464 618 HE2 LYS 79 2HE LYS 79 -10.777 -9.568 6.820 619 HE3 LYS 79 3HE LYS 79 -11.720 -8.909 8.155 620 HZ1 LYS 79 3HZ LYS 79 -12.508 -8.166 5.971 621 HZ2 LYS 79 1HZ LYS 79 -11.018 -7.417 5.685 622 HZ3 LYS 79 2HZ LYS 79 -12.011 -6.864 6.941 623 H PHE 80 H PHE 80 -4.842 -5.168 6.618 624 HA PHE 80 HA PHE 80 -3.159 -5.656 8.842 625 HB2 PHE 80 2HB PHE 80 -0.999 -5.885 7.595 626 HB3 PHE 80 3HB PHE 80 -2.052 -7.288 7.457 627 HD1 PHE 80 HD1 PHE 80 -0.588 -4.439 5.684 628 HD2 PHE 80 HD2 PHE 80 -3.055 -7.892 5.346 629 HE1 PHE 80 HE1 PHE 80 -0.416 -4.316 3.232 630 HE2 PHE 80 HE2 PHE 80 -2.886 -7.775 2.894 631 HZ PHE 80 HZ PHE 80 -1.565 -5.988 1.836 632 H ARG 81 H ARG 81 -1.444 -3.984 9.053 633 HA ARG 81 HA ARG 81 -2.263 -1.514 7.664 634 HB2 ARG 81 2HB ARG 81 -0.806 -1.715 10.304 635 HB3 ARG 81 3HB ARG 81 -1.524 -0.277 9.593 636 HG2 ARG 81 2HG ARG 81 -3.753 -1.384 9.801 637 HG3 ARG 81 3HG ARG 81 -2.958 -2.680 10.697 638 HD2 ARG 81 2HD ARG 81 -3.164 0.228 11.458 639 HD3 ARG 81 3HD ARG 81 -3.899 -1.149 12.273 640 HE ARG 81 HE ARG 81 -0.994 -0.620 12.210 641 HH11 ARG 81 1HH1 ARG 81 -3.841 -1.920 13.769 642 HH12 ARG 81 2HH1 ARG 81 -3.025 -2.247 15.275 643 HH21 ARG 81 1HH2 ARG 81 0.085 -1.031 14.178 644 HH22 ARG 81 2HH2 ARG 81 -0.789 -1.742 15.506 645 H LEU 82 H LEU 82 -0.795 -0.341 6.551 646 HA LEU 82 HA LEU 82 2.012 -1.243 6.648 647 HB2 LEU 82 2HB LEU 82 0.494 0.099 4.405 648 HB3 LEU 82 3HB LEU 82 2.208 -0.273 4.371 649 HG LEU 82 HG LEU 82 0.004 -2.325 4.574 650 HD11 LEU 82 1HD1 LEU 82 0.004 -1.212 2.409 651 HD12 LEU 82 2HD1 LEU 82 0.592 -2.868 2.263 652 HD13 LEU 82 3HD1 LEU 82 1.730 -1.520 2.238 653 HD21 LEU 82 3HD2 LEU 82 1.808 -3.923 4.118 654 HD22 LEU 82 1HD2 LEU 82 2.068 -3.054 5.630 655 HD23 LEU 82 2HD2 LEU 82 2.981 -2.609 4.190 656 H TYR 83 H TYR 83 3.606 0.256 6.975 657 HA TYR 83 HA TYR 83 2.684 2.970 7.686 658 HB2 TYR 83 2HB TYR 83 4.986 1.341 8.788 659 HB3 TYR 83 3HB TYR 83 4.685 3.025 9.197 660 HD1 TYR 83 HD1 TYR 83 3.070 -0.337 9.299 661 HD2 TYR 83 HD2 TYR 83 3.333 3.547 11.014 662 HE1 TYR 83 HE1 TYR 83 1.590 -1.049 11.125 663 HE2 TYR 83 HE2 TYR 83 1.850 2.845 12.844 664 HH TYR 83 HH TYR 83 0.225 1.205 13.367 665 H TYR 84 H TYR 84 3.191 4.338 6.076 666 HA TYR 84 HA TYR 84 5.616 3.794 4.526 667 HB2 TYR 84 2HB TYR 84 3.460 4.049 3.314 668 HB3 TYR 84 3HB TYR 84 3.360 5.709 3.892 669 HD1 TYR 84 HD2 TYR 84 5.874 3.521 2.181 670 HD2 TYR 84 HD1 TYR 84 3.994 7.334 2.384 671 HE1 TYR 84 HE2 TYR 84 7.187 4.265 0.239 672 HE2 TYR 84 HE1 TYR 84 5.300 8.086 0.440 673 HH TYR 84 HH TYR 84 7.323 7.558 -0.743 674 H THR 85 H THR 85 7.329 4.692 5.447 675 HA THR 85 HA THR 85 7.214 7.443 6.425 676 HB THR 85 HB THR 85 9.555 5.520 6.388 677 HG1 THR 85 HG1 THR 85 7.719 6.145 8.486 678 HG21 THR 85 3HG2 THR 85 10.461 7.015 8.135 679 HG22 THR 85 1HG2 THR 85 9.091 8.097 7.891 680 HG23 THR 85 2HG2 THR 85 10.251 7.836 6.587 681 H SER 86 H SER 86 7.600 9.047 5.031 682 HA SER 86 HA SER 86 8.805 8.456 2.460 683 HB2 SER 86 2HB SER 86 7.752 11.088 3.511 684 HB3 SER 86 3HB SER 86 8.086 10.676 1.827 685 HG SER 86 HG SER 86 6.368 8.959 3.148 686 H GLN 87 H GLN 87 10.656 9.427 1.628 687 HA GLN 87 HA GLN 87 12.295 11.055 3.422 688 HB2 GLN 87 2HB GLN 87 13.295 8.543 2.052 689 HB3 GLN 87 3HB GLN 87 14.309 9.706 2.896 690 HG2 GLN 87 2HG GLN 87 13.038 9.210 4.974 691 HG3 GLN 87 3HG GLN 87 12.189 7.941 4.092 692 HE21 GLN 87 1HE2 GLN 87 13.319 6.089 3.471 693 HE22 GLN 87 2HE2 GLN 87 14.840 5.664 4.173 694 H SER 88 H SER 88 14.453 11.559 2.065 695 HA SER 88 HA SER 88 15.427 12.562 0.276 696 HB2 SER 88 2HB SER 88 14.787 10.354 -0.800 697 HB3 SER 88 3HB SER 88 13.365 11.170 -1.443 698 HG SER 88 HG SER 88 14.835 12.660 -2.468 699 H ASP 89 H ASP 89 12.970 13.626 1.644 700 HA ASP 89 HA ASP 89 11.532 15.344 1.589 701 HB2 ASP 89 2HB ASP 89 13.638 16.268 -0.342 702 HB3 ASP 89 3HB ASP 89 12.258 17.265 0.086 703 H LYS 90 H LYS 90 11.086 13.088 -0.306 704 HA LYS 90 HA LYS 90 9.776 14.332 -2.546 705 HB2 LYS 90 2HB LYS 90 10.000 11.509 -1.561 706 HB3 LYS 90 3HB LYS 90 8.819 11.925 -2.796 707 HG2 LYS 90 2HG LYS 90 11.785 12.405 -2.995 708 HG3 LYS 90 3HG LYS 90 10.912 11.067 -3.745 709 HD2 LYS 90 2HD LYS 90 10.398 13.997 -4.287 710 HD3 LYS 90 3HD LYS 90 11.359 12.932 -5.313 711 HE2 LYS 90 2HE LYS 90 9.390 11.508 -5.657 712 HE3 LYS 90 3HE LYS 90 8.435 12.594 -4.650 713 HZ1 LYS 90 3HZ LYS 90 9.802 13.432 -7.152 714 HZ2 LYS 90 1HZ LYS 90 8.686 14.331 -6.245 715 HZ3 LYS 90 2HZ LYS 90 8.178 12.946 -7.082 716 H GLU 91 H GLU 91 8.040 15.481 -2.214 717 HA GLU 91 HA GLU 91 6.172 14.771 -0.103 718 HB2 GLU 91 2HB GLU 91 5.199 16.970 -1.613 719 HB3 GLU 91 3HB GLU 91 5.866 16.982 0.011 720 HG2 GLU 91 2HG GLU 91 7.131 18.552 -1.149 721 HG3 GLU 91 3HG GLU 91 8.152 17.117 -1.107 722 H ALA 92 H ALA 92 6.071 15.447 -3.599 723 HA ALA 92 HA ALA 92 3.482 14.191 -3.862 724 HB1 ALA 92 3HB ALA 92 5.403 15.121 -5.994 725 HB2 ALA 92 1HB ALA 92 4.095 16.076 -5.297 726 HB3 ALA 92 2HB ALA 92 3.727 14.636 -6.247 727 H GLN 93 H GLN 93 3.362 12.055 -3.644 728 HA GLN 93 HA GLN 93 5.418 10.408 -4.956 729 HB2 GLN 93 2HB GLN 93 4.271 9.930 -2.201 730 HB3 GLN 93 3HB GLN 93 5.399 8.872 -3.038 731 HG2 GLN 93 2HG GLN 93 7.109 10.570 -2.958 732 HG3 GLN 93 3HG GLN 93 5.980 11.713 -2.227 733 HE21 GLN 93 1HE2 GLN 93 5.314 11.388 -0.104 734 HE22 GLN 93 2HE2 GLN 93 6.204 10.390 0.993 735 H THR 94 H THR 94 4.676 8.747 -6.093 736 HA THR 94 HA THR 94 1.827 8.041 -5.837 737 HB THR 94 HB THR 94 3.613 7.400 -8.185 738 HG1 THR 94 HG1 THR 94 2.040 9.730 -7.665 739 HG21 THR 94 3HG2 THR 94 1.563 6.087 -8.008 740 HG22 THR 94 1HG2 THR 94 1.471 7.199 -9.375 741 HG23 THR 94 2HG2 THR 94 0.613 7.568 -7.878 742 H ILE 95 H ILE 95 1.437 6.100 -4.911 743 HA ILE 95 HA ILE 95 3.595 4.100 -5.031 744 HB ILE 95 HB ILE 95 2.794 3.132 -2.965 745 HG12 ILE 95 2HG1 ILE 95 0.730 5.348 -2.887 746 HG13 ILE 95 3HG1 ILE 95 0.382 3.660 -3.254 747 HG21 ILE 95 1HG2 ILE 95 4.419 4.926 -2.802 748 HG22 ILE 95 2HG2 ILE 95 3.326 4.954 -1.417 749 HG23 ILE 95 3HG2 ILE 95 3.123 6.118 -2.727 750 HD11 ILE 95 3HD1 ILE 95 1.500 4.695 -0.659 751 HD12 ILE 95 1HD1 ILE 95 1.122 3.013 -1.029 752 HD13 ILE 95 2HD1 ILE 95 -0.171 4.210 -0.952 753 H ASP 96 H ASP 96 3.211 2.213 -5.939 754 HA ASP 96 HA ASP 96 0.486 1.650 -6.887 755 HB2 ASP 96 2HB ASP 96 3.221 0.974 -7.931 756 HB3 ASP 96 3HB ASP 96 1.850 -0.038 -8.360 757 H LEU 97 H LEU 97 -0.536 0.300 -5.542 758 HA LEU 97 HA LEU 97 0.973 -1.870 -4.265 759 HB2 LEU 97 2HB LEU 97 -1.908 -1.091 -3.810 760 HB3 LEU 97 3HB LEU 97 -0.933 -2.159 -2.822 761 HG LEU 97 HG LEU 97 -0.586 0.823 -3.111 762 HD11 LEU 97 1HD1 LEU 97 -2.485 0.221 -1.743 763 HD12 LEU 97 2HD1 LEU 97 -1.183 0.848 -0.730 764 HD13 LEU 97 3HD1 LEU 97 -1.488 -0.888 -0.803 765 HD21 LEU 97 3HD2 LEU 97 1.578 -0.277 -2.874 766 HD22 LEU 97 1HD2 LEU 97 0.991 -1.139 -1.452 767 HD23 LEU 97 2HD2 LEU 97 1.154 0.618 -1.414 768 H TYR 98 H TYR 98 1.096 -3.670 -5.466 769 HA TYR 98 HA TYR 98 -1.127 -4.298 -7.280 770 HB2 TYR 98 2HB TYR 98 1.698 -5.377 -7.266 771 HB3 TYR 98 3HB TYR 98 0.455 -5.774 -8.445 772 HD1 TYR 98 HD2 TYR 98 -0.622 -3.599 -9.593 773 HD2 TYR 98 HD1 TYR 98 3.264 -3.809 -7.878 774 HE1 TYR 98 HE2 TYR 98 0.091 -1.706 -10.986 775 HE2 TYR 98 HE1 TYR 98 3.986 -1.918 -9.269 776 HH TYR 98 HH TYR 98 1.924 0.141 -10.791 777 H PHE 99 H PHE 99 -2.571 -5.569 -6.351 778 HA PHE 99 HA PHE 99 -1.675 -7.891 -4.792 779 HB2 PHE 99 2HB PHE 99 -4.528 -7.087 -5.418 780 HB3 PHE 99 3HB PHE 99 -3.968 -8.163 -4.141 781 HD1 PHE 99 HD2 PHE 99 -2.681 -7.196 -2.218 782 HD2 PHE 99 HD1 PHE 99 -4.699 -4.777 -5.076 783 HE1 PHE 99 HE2 PHE 99 -2.592 -5.288 -0.667 784 HE2 PHE 99 HE1 PHE 99 -4.613 -2.869 -3.533 785 HZ PHE 99 HZ PHE 99 -3.558 -3.124 -1.324 786 H GLU 100 H GLU 100 -1.307 -9.745 -5.920 787 HA GLU 100 HA GLU 100 -2.616 -10.016 -8.529 788 HB2 GLU 100 2HB GLU 100 -0.643 -8.708 -8.945 789 HB3 GLU 100 3HB GLU 100 0.351 -9.824 -8.025 790 HG2 GLU 100 2HG GLU 100 -0.047 -11.551 -9.720 791 HG3 GLU 100 3HG GLU 100 -1.005 -10.396 -10.651 792 H ASP 101 H ASP 101 -3.410 -12.022 -8.611 793 HA ASP 101 HA ASP 101 -1.653 -14.213 -7.755 794 HB2 ASP 101 2HB ASP 101 -3.989 -14.499 -7.083 795 HB3 ASP 101 3HB ASP 101 -4.519 -14.293 -8.749 796 H ASN 102 H ASN 102 -0.450 -15.228 -9.192 797 HA ASN 102 HA ASN 102 0.002 -14.034 -11.677 798 HB2 ASN 102 2HB ASN 102 0.877 -16.785 -10.774 799 HB3 ASN 102 3HB ASN 102 1.586 -15.846 -12.083 800 HD21 ASN 102 1HD2 ASN 102 1.352 -16.275 -8.669 801 HD22 ASN 102 2HD2 ASN 102 2.571 -15.134 -8.222 802 H TRP 103 H TRP 103 -2.004 -16.739 -10.761 803 HA TRP 103 HA TRP 103 -2.772 -17.058 -13.592 804 HB2 TRP 103 2HB TRP 103 -2.959 -19.047 -11.317 805 HB3 TRP 103 3HB TRP 103 -3.635 -19.307 -12.919 806 HD1 TRP 103 HD1 TRP 103 -0.643 -17.757 -13.934 807 HE1 TRP 103 HE1 TRP 103 1.301 -19.413 -14.292 808 HE3 TRP 103 HE3 TRP 103 -2.530 -21.771 -11.383 809 HZ2 TRP 103 HZ2 TRP 103 1.930 -22.074 -13.590 810 HZ3 TRP 103 HZ3 TRP 103 -1.194 -23.834 -11.280 811 HH2 TRP 103 HH2 TRP 103 0.988 -23.980 -12.360 812 H GLY 104 H GLY 104 -3.721 -15.187 -11.343 813 HA2 GLY 104 2HA GLY 104 -6.572 -15.912 -11.525 814 HA3 GLY 104 3HA GLY 104 -5.862 -15.498 -9.973 815 H ASN 105 H ASN 105 -6.217 -13.501 -9.333 816 HA ASN 105 HA ASN 105 -7.106 -11.561 -11.349 817 HB2 ASN 105 2HB ASN 105 -8.798 -12.109 -9.698 818 HB3 ASN 105 3HB ASN 105 -7.688 -11.738 -8.386 819 HD21 ASN 105 1HD2 ASN 105 -9.692 -10.424 -10.909 820 HD22 ASN 105 2HD2 ASN 105 -9.699 -8.795 -10.318 821 H LEU 106 H LEU 106 -6.272 -9.548 -11.485 822 HA LEU 106 HA LEU 106 -4.070 -8.840 -9.659 823 HB2 LEU 106 2HB LEU 106 -3.135 -9.238 -11.829 824 HB3 LEU 106 3HB LEU 106 -4.401 -8.314 -12.612 825 HG LEU 106 HG LEU 106 -3.502 -6.247 -11.610 826 HD11 LEU 106 1HD1 LEU 106 -2.495 -7.214 -9.605 827 HD12 LEU 106 2HD1 LEU 106 -1.325 -6.261 -10.519 828 HD13 LEU 106 3HD1 LEU 106 -1.286 -8.023 -10.602 829 HD21 LEU 106 3HD2 LEU 106 -1.490 -7.884 -13.143 830 HD22 LEU 106 1HD2 LEU 106 -1.478 -6.129 -12.979 831 HD23 LEU 106 2HD2 LEU 106 -2.797 -6.925 -13.836 832 H GLN 107 H GLN 107 -4.590 -7.196 -8.385 833 HA GLN 107 HA GLN 107 -6.474 -5.165 -9.402 834 HB2 GLN 107 2HB GLN 107 -7.217 -6.799 -7.486 835 HB3 GLN 107 3HB GLN 107 -6.205 -5.779 -6.474 836 HG2 GLN 107 2HG GLN 107 -8.395 -4.668 -8.195 837 HG3 GLN 107 3HG GLN 107 -8.679 -5.241 -6.555 838 HE21 GLN 107 1HE2 GLN 107 -8.881 -2.571 -7.798 839 HE22 GLN 107 2HE2 GLN 107 -7.892 -1.537 -6.832 840 H GLN 108 H GLN 108 -5.896 -3.051 -9.139 841 HA GLN 108 HA GLN 108 -3.233 -2.592 -7.958 842 HB2 GLN 108 2HB GLN 108 -3.108 -2.389 -10.362 843 HB3 GLN 108 3HB GLN 108 -4.513 -1.332 -10.388 844 HG2 GLN 108 2HG GLN 108 -3.224 0.345 -9.113 845 HG3 GLN 108 3HG GLN 108 -1.809 -0.701 -9.228 846 HE21 GLN 108 1HE2 GLN 108 -0.793 -0.947 -11.205 847 HE22 GLN 108 2HE2 GLN 108 -1.066 0.128 -12.529 848 H LEU 109 H LEU 109 -3.295 -1.356 -6.208 849 HA LEU 109 HA LEU 109 -5.256 0.837 -6.126 850 HB2 LEU 109 2HB LEU 109 -3.792 -0.581 -3.913 851 HB3 LEU 109 3HB LEU 109 -4.603 0.950 -3.671 852 HG LEU 109 HG LEU 109 -5.887 -1.665 -4.440 853 HD11 LEU 109 1HD1 LEU 109 -7.019 -1.401 -2.280 854 HD12 LEU 109 2HD1 LEU 109 -6.073 0.054 -1.970 855 HD13 LEU 109 3HD1 LEU 109 -5.270 -1.511 -2.098 856 HD21 LEU 109 3HD2 LEU 109 -7.140 1.053 -4.070 857 HD22 LEU 109 1HD2 LEU 109 -8.012 -0.460 -4.309 858 HD23 LEU 109 2HD2 LEU 109 -6.989 0.180 -5.595 859 H THR 110 H THR 110 -4.367 2.623 -6.913 860 HA THR 110 HA THR 110 -1.561 3.188 -6.276 861 HB THR 110 HB THR 110 -1.949 5.016 -8.093 862 HG1 THR 110 HG1 THR 110 -3.541 3.756 -9.638 863 HG21 THR 110 3HG2 THR 110 -1.813 2.079 -8.784 864 HG22 THR 110 1HG2 THR 110 -0.450 3.114 -8.358 865 HG23 THR 110 2HG2 THR 110 -1.346 3.405 -9.851 866 H TYR 111 H TYR 111 -1.191 4.553 -4.705 867 HA TYR 111 HA TYR 111 -3.205 6.625 -4.133 868 HB2 TYR 111 2HB TYR 111 -1.191 5.327 -2.286 869 HB3 TYR 111 3HB TYR 111 -2.190 6.705 -1.842 870 HD1 TYR 111 HD2 TYR 111 -4.631 6.432 -1.597 871 HD2 TYR 111 HD1 TYR 111 -2.084 3.104 -2.331 872 HE1 TYR 111 HE2 TYR 111 -6.420 4.910 -0.867 873 HE2 TYR 111 HE1 TYR 111 -3.862 1.574 -1.599 874 HH TYR 111 HH TYR 111 -7.072 2.534 -1.207 875 H ASP 112 H ASP 112 -2.649 8.580 -4.723 876 HA ASP 112 HA ASP 112 0.210 9.258 -4.930 877 HB2 ASP 112 2HB ASP 112 -1.178 9.399 -7.026 878 HB3 ASP 112 3HB ASP 112 -2.138 10.649 -6.244 879 H PHE 113 H PHE 113 0.933 10.446 -3.314 880 HA PHE 113 HA PHE 113 -1.000 11.926 -1.679 881 HB2 PHE 113 2HB PHE 113 1.824 11.017 -1.089 882 HB3 PHE 113 3HB PHE 113 0.854 11.996 0.006 883 HD1 PHE 113 HD2 PHE 113 -1.141 11.043 1.080 884 HD2 PHE 113 HD1 PHE 113 1.462 8.672 -1.314 885 HE1 PHE 113 HE2 PHE 113 -2.112 9.001 2.052 886 HE2 PHE 113 HE1 PHE 113 0.496 6.630 -0.342 887 HZ PHE 113 HZ PHE 113 -1.292 6.788 1.342 888 H ASN 114 H ASN 114 -0.785 14.063 -1.213 889 HA ASN 114 HA ASN 114 -0.278 16.252 -1.561 890 HB2 ASN 114 2HB ASN 114 2.435 15.041 -2.079 891 HB3 ASN 114 3HB ASN 114 2.154 16.775 -2.165 892 HD21 ASN 114 1HD2 ASN 114 3.768 15.052 -0.355 893 HD22 ASN 114 2HD2 ASN 114 3.285 15.522 1.243 894 H GLY 115 H GLY 115 -1.570 14.929 -3.580 895 HA2 GLY 115 2HA GLY 115 -0.521 15.011 -6.137 896 HA3 GLY 115 3HA GLY 115 -2.225 15.206 -5.753 897 H LYS 116 H LYS 116 0.517 16.670 -7.010 898 HA LYS 116 HA LYS 116 -0.183 19.396 -6.401 899 HB2 LYS 116 2HB LYS 116 1.767 18.316 -8.447 900 HB3 LYS 116 3HB LYS 116 1.660 19.986 -7.900 901 HG2 LYS 116 2HG LYS 116 2.226 19.219 -5.615 902 HG3 LYS 116 3HG LYS 116 2.458 17.592 -6.259 903 HD2 LYS 116 2HD LYS 116 4.193 18.484 -7.783 904 HD3 LYS 116 3HD LYS 116 3.998 20.071 -7.029 905 HE2 LYS 116 2HE LYS 116 4.578 19.049 -4.850 906 HE3 LYS 116 3HE LYS 116 4.887 17.527 -5.680 907 HZ1 LYS 116 3HZ LYS 116 6.641 18.619 -6.944 908 HZ2 LYS 116 1HZ LYS 116 6.922 18.756 -5.275 909 HZ3 LYS 116 2HZ LYS 116 6.330 20.084 -6.147 910 H LEU 117 H LEU 117 -1.754 20.460 -7.330 911 HA LEU 117 HA LEU 117 -3.258 21.245 -8.827 912 HB2 LEU 117 2HB LEU 117 -1.548 19.829 -10.878 913 HB3 LEU 117 3HB LEU 117 -2.889 20.894 -11.259 914 HG LEU 117 HG LEU 117 -0.365 21.720 -9.815 915 HD11 LEU 117 1HD1 LEU 117 0.074 21.227 -12.146 916 HD12 LEU 117 2HD1 LEU 117 0.108 22.971 -11.882 917 HD13 LEU 117 3HD1 LEU 117 -1.297 22.220 -12.639 918 HD21 LEU 117 3HD2 LEU 117 -1.226 23.991 -10.090 919 HD22 LEU 117 1HD2 LEU 117 -2.320 23.008 -9.118 920 HD23 LEU 117 2HD2 LEU 117 -2.705 23.349 -10.806 921 H GLU 118 H GLU 118 -3.146 18.379 -7.685 922 HA GLU 118 HA GLU 118 -5.125 17.147 -9.466 923 HB2 GLU 118 2HB GLU 118 -3.400 16.000 -7.274 924 HB3 GLU 118 3HB GLU 118 -4.723 15.104 -8.008 925 HG2 GLU 118 2HG GLU 118 -2.292 16.173 -9.418 926 HG3 GLU 118 3HG GLU 118 -2.614 14.486 -9.016 927 H HIS 119 H HIS 119 -5.763 19.371 -7.744 928 HA HIS 119 HA HIS 119 -7.370 18.273 -5.597 929 HB2 HIS 119 2HB HIS 119 -6.203 20.534 -5.508 930 HB3 HIS 119 3HB HIS 119 -7.404 21.109 -6.658 931 HD1 HIS 119 HD1 HIS 119 -8.828 22.637 -5.287 932 HD2 HIS 119 HD2 HIS 119 -8.100 19.011 -3.382 933 HE1 HIS 119 HE1 HIS 119 -10.245 22.661 -3.209 934 HE2 HIS 119 HE2 HIS 119 -9.588 20.571 -1.957 935 H HIS 120 H HIS 120 -7.881 17.355 -8.271 936 HA HIS 120 HA HIS 120 -10.154 18.624 -9.386 937 HB2 HIS 120 2HB HIS 120 -9.116 15.802 -9.756 938 HB3 HIS 120 3HB HIS 120 -10.366 16.557 -10.746 939 HD1 HIS 120 HD1 HIS 120 -6.887 15.879 -10.834 940 HD2 HIS 120 HD2 HIS 120 -9.227 19.153 -11.889 941 HE1 HIS 120 HE1 HIS 120 -5.471 17.246 -12.391 942 HE2 HIS 120 HE2 HIS 120 -6.872 19.266 -12.964 943 H HIS 121 H HIS 121 -9.711 16.090 -6.983 944 HA HIS 121 HA HIS 121 -12.560 15.957 -6.520 945 HB2 HIS 121 2HB HIS 121 -11.832 14.842 -4.315 946 HB3 HIS 121 3HB HIS 121 -11.537 13.975 -5.810 947 HD1 HIS 121 HD1 HIS 121 -9.690 15.904 -3.126 948 HD2 HIS 121 HD2 HIS 121 -8.932 13.334 -6.301 949 HE1 HIS 121 HE1 HIS 121 -7.276 15.242 -2.901 950 HE2 HIS 121 HE2 HIS 121 -6.930 13.488 -4.680 951 H HIS 122 H HIS 122 -13.565 17.682 -5.821 952 HA HIS 122 HA HIS 122 -12.026 19.847 -4.694 953 HB2 HIS 122 2HB HIS 122 -14.984 19.677 -5.317 954 HB3 HIS 122 3HB HIS 122 -14.115 21.143 -4.876 955 HD1 HIS 122 HD1 HIS 122 -12.753 22.303 -6.710 956 HD2 HIS 122 HD2 HIS 122 -14.478 18.728 -7.938 957 HE1 HIS 122 HE1 HIS 122 -12.437 22.220 -9.203 958 HE2 HIS 122 HE2 HIS 122 -13.324 19.961 -9.891 959 H HIS 123 H HIS 123 -14.173 17.389 -3.552 960 HA HIS 123 HA HIS 123 -14.317 18.717 -0.939 961 HB2 HIS 123 2HB HIS 123 -15.872 16.313 -1.923 962 HB3 HIS 123 3HB HIS 123 -16.114 17.157 -0.396 963 HD1 HIS 123 HD1 HIS 123 -17.651 16.894 -3.528 964 HD2 HIS 123 HD2 HIS 123 -16.619 20.129 -1.118 965 HE1 HIS 123 HE1 HIS 123 -19.065 18.820 -4.325 966 HE2 HIS 123 HE2 HIS 123 -18.511 20.731 -2.778 967 H HIS 124 H HIS 124 -14.156 15.305 -1.982 968 HA HIS 124 HA HIS 124 -11.566 14.854 -0.978 969 HB2 HIS 124 2HB HIS 124 -13.307 15.102 1.112 970 HB3 HIS 124 3HB HIS 124 -13.380 13.365 0.812 971 HD1 HIS 124 HD1 HIS 124 -11.900 12.321 2.521 972 HD2 HIS 124 HD2 HIS 124 -10.203 15.716 0.822 973 HE1 HIS 124 HE1 HIS 124 -9.575 12.472 3.471 974 HE2 HIS 124 HE2 HIS 124 -8.499 14.399 2.244 Start of MODEL 5 1 H1 MET 1 1H MET 1 -17.497 12.037 -10.272 2 H2 MET 1 2H MET 1 -18.656 10.858 -10.640 3 H3 MET 1 3H MET 1 -17.519 11.323 -11.808 4 HA MET 1 HA MET 1 -15.729 10.413 -10.503 5 HB2 MET 1 2HB MET 1 -16.683 10.761 -8.283 6 HB3 MET 1 3HB MET 1 -17.962 9.604 -8.624 7 HG2 MET 1 2HG MET 1 -16.203 8.682 -7.188 8 HG3 MET 1 3HG MET 1 -16.372 7.802 -8.706 9 HE1 MET 1 3HE MET 1 -12.527 7.583 -7.853 10 HE2 MET 1 1HE MET 1 -14.000 6.662 -8.156 11 HE3 MET 1 2HE MET 1 -13.851 7.632 -6.691 12 H ASN 2 H ASN 2 -15.175 8.876 -11.896 13 HA ASN 2 HA ASN 2 -15.308 7.186 -13.404 14 HB2 ASN 2 2HB ASN 2 -17.298 6.172 -11.376 15 HB3 ASN 2 3HB ASN 2 -17.007 5.306 -12.880 16 HD21 ASN 2 1HD2 ASN 2 -14.507 7.047 -11.148 17 HD22 ASN 2 2HD2 ASN 2 -13.622 5.649 -10.648 18 H GLU 3 H GLU 3 -15.979 8.345 -15.144 19 HA GLU 3 HA GLU 3 -18.675 9.374 -15.232 20 HB2 GLU 3 2HB GLU 3 -16.506 9.643 -17.309 21 HB3 GLU 3 3HB GLU 3 -17.934 10.651 -17.129 22 HG2 GLU 3 2HG GLU 3 -15.619 10.473 -15.213 23 HG3 GLU 3 3HG GLU 3 -15.969 11.802 -16.315 24 H LEU 4 H LEU 4 -17.496 6.442 -15.979 25 HA LEU 4 HA LEU 4 -19.259 6.120 -18.312 26 HB2 LEU 4 2HB LEU 4 -16.931 4.439 -17.379 27 HB3 LEU 4 3HB LEU 4 -18.033 3.947 -18.649 28 HG LEU 4 HG LEU 4 -16.123 4.763 -19.746 29 HD11 LEU 4 1HD1 LEU 4 -16.894 6.748 -20.938 30 HD12 LEU 4 2HD1 LEU 4 -18.142 6.997 -19.714 31 HD13 LEU 4 3HD1 LEU 4 -18.182 5.561 -20.739 32 HD21 LEU 4 3HD2 LEU 4 -15.093 6.932 -19.290 33 HD22 LEU 4 1HD2 LEU 4 -15.061 5.884 -17.873 34 HD23 LEU 4 2HD2 LEU 4 -16.235 7.196 -17.972 35 H ASP 5 H ASP 5 -20.008 3.620 -18.338 36 HA ASP 5 HA ASP 5 -21.614 3.317 -15.959 37 HB2 ASP 5 2HB ASP 5 -22.646 2.842 -18.117 38 HB3 ASP 5 3HB ASP 5 -21.437 1.607 -18.452 39 H ILE 6 H ILE 6 -20.683 2.524 -14.225 40 HA ILE 6 HA ILE 6 -18.373 0.914 -14.195 41 HB ILE 6 HB ILE 6 -20.434 1.253 -12.004 42 HG12 ILE 6 2HG1 ILE 6 -17.882 2.808 -12.510 43 HG13 ILE 6 3HG1 ILE 6 -19.504 3.401 -12.852 44 HG21 ILE 6 1HG2 ILE 6 -17.545 0.384 -11.891 45 HG22 ILE 6 2HG2 ILE 6 -18.958 -0.635 -11.605 46 HG23 ILE 6 3HG2 ILE 6 -18.577 0.679 -10.493 47 HD11 ILE 6 3HD1 ILE 6 -18.663 4.314 -10.773 48 HD12 ILE 6 1HD1 ILE 6 -18.415 2.688 -10.140 49 HD13 ILE 6 2HD1 ILE 6 -20.048 3.264 -10.474 50 H GLN 7 H GLN 7 -18.244 -1.119 -14.844 51 HA GLN 7 HA GLN 7 -20.584 -2.804 -14.954 52 HB2 GLN 7 2HB GLN 7 -19.082 -4.430 -16.040 53 HB3 GLN 7 3HB GLN 7 -19.028 -2.854 -16.815 54 HG2 GLN 7 2HG GLN 7 -16.964 -2.441 -15.338 55 HG3 GLN 7 3HG GLN 7 -16.964 -4.191 -15.119 56 HE21 GLN 7 1HE2 GLN 7 -15.091 -4.567 -16.199 57 HE22 GLN 7 2HE2 GLN 7 -14.913 -4.335 -17.910 58 H GLN 8 H GLN 8 -21.061 -4.484 -13.675 59 HA GLN 8 HA GLN 8 -19.825 -4.499 -11.073 60 HB2 GLN 8 2HB GLN 8 -22.342 -4.733 -11.751 61 HB3 GLN 8 3HB GLN 8 -21.944 -6.430 -11.955 62 HG2 GLN 8 2HG GLN 8 -21.473 -4.912 -9.405 63 HG3 GLN 8 3HG GLN 8 -22.953 -5.800 -9.754 64 HE21 GLN 8 1HE2 GLN 8 -22.885 -8.054 -9.857 65 HE22 GLN 8 2HE2 GLN 8 -21.590 -8.955 -9.138 66 H GLU 9 H GLU 9 -17.879 -5.461 -11.002 67 HA GLU 9 HA GLU 9 -17.747 -8.294 -11.794 68 HB2 GLU 9 2HB GLU 9 -15.588 -6.202 -12.108 69 HB3 GLU 9 3HB GLU 9 -15.321 -7.927 -12.295 70 HG2 GLU 9 2HG GLU 9 -17.019 -7.894 -14.133 71 HG3 GLU 9 3HG GLU 9 -17.008 -6.132 -14.011 72 H TYR 10 H TYR 10 -18.206 -6.749 -9.199 73 HA TYR 10 HA TYR 10 -15.894 -7.808 -7.729 74 HB2 TYR 10 2HB TYR 10 -16.117 -5.910 -6.138 75 HB3 TYR 10 3HB TYR 10 -15.671 -5.414 -7.764 76 HD1 TYR 10 HD2 TYR 10 -17.615 -4.563 -9.286 77 HD2 TYR 10 HD1 TYR 10 -17.885 -4.874 -5.048 78 HE1 TYR 10 HE2 TYR 10 -19.479 -2.957 -9.288 79 HE2 TYR 10 HE1 TYR 10 -19.745 -3.272 -5.044 80 HH TYR 10 HH TYR 10 -21.423 -2.384 -7.816 81 HA PRO 11 HA PRO 11 -19.375 -9.777 -5.610 82 HB2 PRO 11 2HB PRO 11 -17.780 -12.132 -5.377 83 HB3 PRO 11 3HB PRO 11 -19.173 -11.878 -6.426 84 HG2 PRO 11 2HG PRO 11 -16.564 -12.229 -7.299 85 HG3 PRO 11 3HG PRO 11 -17.866 -11.496 -8.249 86 HD2 PRO 11 2HD PRO 11 -15.667 -10.187 -6.711 87 HD3 PRO 11 3HD PRO 11 -16.401 -9.714 -8.259 88 H PHE 12 H PHE 12 -16.465 -8.585 -4.792 89 HA PHE 12 HA PHE 12 -16.758 -9.351 -1.981 90 HB2 PHE 12 2HB PHE 12 -14.292 -9.529 -1.760 91 HB3 PHE 12 3HB PHE 12 -14.965 -10.757 -2.823 92 HD1 PHE 12 HD1 PHE 12 -14.526 -10.718 -5.208 93 HD2 PHE 12 HD2 PHE 12 -12.862 -7.780 -2.617 94 HE1 PHE 12 HE1 PHE 12 -12.942 -10.065 -6.976 95 HE2 PHE 12 HE2 PHE 12 -11.280 -7.118 -4.380 96 HZ PHE 12 HZ PHE 12 -11.319 -8.259 -6.562 97 H THR 13 H THR 13 -15.018 -7.864 -0.706 98 HA THR 13 HA THR 13 -15.368 -5.131 -1.752 99 HB THR 13 HB THR 13 -15.888 -5.979 1.107 100 HG1 THR 13 HG1 THR 13 -17.649 -5.377 -1.053 101 HG21 THR 13 3HG2 THR 13 -16.750 -3.719 1.398 102 HG22 THR 13 1HG2 THR 13 -16.374 -3.338 -0.281 103 HG23 THR 13 2HG2 THR 13 -15.071 -3.665 0.862 104 H VAL 14 H VAL 14 -13.567 -3.923 -1.663 105 HA VAL 14 HA VAL 14 -11.362 -4.829 0.067 106 HB VAL 14 HB VAL 14 -11.278 -2.927 -2.289 107 HG11 VAL 14 1HG1 VAL 14 -9.568 -2.395 -0.650 108 HG12 VAL 14 2HG1 VAL 14 -8.836 -3.110 -2.086 109 HG13 VAL 14 3HG1 VAL 14 -9.039 -4.077 -0.626 110 HG21 VAL 14 3HG2 VAL 14 -10.405 -5.803 -2.044 111 HG22 VAL 14 1HG2 VAL 14 -10.023 -4.751 -3.407 112 HG23 VAL 14 2HG2 VAL 14 -11.701 -5.168 -3.056 113 H GLU 15 H GLU 15 -10.825 -3.649 1.794 114 HA GLU 15 HA GLU 15 -12.151 -1.045 2.148 115 HB2 GLU 15 2HB GLU 15 -10.917 -2.891 4.203 116 HB3 GLU 15 3HB GLU 15 -11.746 -1.381 4.551 117 HG2 GLU 15 2HG GLU 15 -13.051 -3.724 3.196 118 HG3 GLU 15 3HG GLU 15 -13.082 -3.457 4.935 119 H SER 16 H SER 16 -10.996 0.771 2.607 120 HA SER 16 HA SER 16 -8.140 0.593 3.068 121 HB2 SER 16 2HB SER 16 -8.339 0.636 0.606 122 HB3 SER 16 3HB SER 16 -9.285 2.120 0.711 123 HG SER 16 HG SER 16 -6.613 1.809 0.712 124 H MET 17 H MET 17 -7.789 1.851 4.740 125 HA MET 17 HA MET 17 -9.520 3.896 5.648 126 HB2 MET 17 2HB MET 17 -8.134 2.823 7.249 127 HB3 MET 17 3HB MET 17 -6.679 3.139 6.316 128 HG2 MET 17 2HG MET 17 -6.884 5.524 6.804 129 HG3 MET 17 3HG MET 17 -8.345 5.205 7.738 130 HE1 MET 17 3HE MET 17 -5.697 6.768 8.728 131 HE2 MET 17 1HE MET 17 -5.510 6.146 10.368 132 HE3 MET 17 2HE MET 17 -7.109 6.586 9.769 133 HA PRO 18 HA PRO 18 -8.382 7.309 3.047 134 HB2 PRO 18 2HB PRO 18 -8.880 9.311 4.896 135 HB3 PRO 18 3HB PRO 18 -10.092 8.575 3.845 136 HG2 PRO 18 2HG PRO 18 -9.458 7.988 6.704 137 HG3 PRO 18 3HG PRO 18 -11.034 8.058 5.893 138 HD2 PRO 18 2HD PRO 18 -9.865 5.715 6.479 139 HD3 PRO 18 3HD PRO 18 -10.802 5.937 4.986 140 H VAL 19 H VAL 19 -6.178 6.956 2.877 141 HA VAL 19 HA VAL 19 -4.362 7.773 4.953 142 HB VAL 19 HB VAL 19 -2.593 7.324 3.248 143 HG11 VAL 19 1HG1 VAL 19 -3.340 5.571 4.759 144 HG12 VAL 19 2HG1 VAL 19 -2.961 4.897 3.173 145 HG13 VAL 19 3HG1 VAL 19 -4.641 5.145 3.647 146 HG21 VAL 19 3HG2 VAL 19 -3.832 7.905 1.238 147 HG22 VAL 19 1HG2 VAL 19 -4.948 6.568 1.517 148 HG23 VAL 19 2HG2 VAL 19 -3.257 6.239 1.139 149 H ALA 20 H ALA 20 -6.154 9.371 2.699 150 HA ALA 20 HA ALA 20 -6.334 11.546 2.119 151 HB1 ALA 20 3HB ALA 20 -4.938 13.253 3.160 152 HB2 ALA 20 1HB ALA 20 -3.894 12.000 3.829 153 HB3 ALA 20 2HB ALA 20 -5.572 12.125 4.358 154 H ASP 21 H ASP 21 -5.106 13.318 0.953 155 HA ASP 21 HA ASP 21 -3.265 12.052 -0.947 156 HB2 ASP 21 2HB ASP 21 -4.047 14.126 -2.378 157 HB3 ASP 21 3HB ASP 21 -5.036 12.677 -2.276 158 H GLU 22 H GLU 22 -2.802 13.552 1.671 159 HA GLU 22 HA GLU 22 -0.721 15.339 0.615 160 HB2 GLU 22 2HB GLU 22 -2.544 16.730 1.464 161 HB3 GLU 22 3HB GLU 22 -2.528 15.858 2.990 162 HG2 GLU 22 2HG GLU 22 -1.453 18.009 3.221 163 HG3 GLU 22 3HG GLU 22 -0.290 16.709 3.457 164 H ILE 23 H ILE 23 1.201 15.394 1.821 165 HA ILE 23 HA ILE 23 1.499 13.854 4.227 166 HB ILE 23 HB ILE 23 1.505 12.060 2.485 167 HG12 ILE 23 2HG1 ILE 23 4.176 12.474 3.844 168 HG13 ILE 23 3HG1 ILE 23 2.739 11.829 4.628 169 HG21 ILE 23 1HG2 ILE 23 2.481 13.321 0.646 170 HG22 ILE 23 2HG2 ILE 23 3.424 11.868 0.975 171 HG23 ILE 23 3HG2 ILE 23 4.009 13.439 1.522 172 HD11 ILE 23 3HD1 ILE 23 2.768 9.930 3.080 173 HD12 ILE 23 1HD1 ILE 23 4.253 10.049 4.021 174 HD13 ILE 23 2HD1 ILE 23 4.233 10.573 2.337 175 H ALA 24 H ALA 24 3.447 14.316 5.269 176 HA ALA 24 HA ALA 24 5.055 16.422 3.970 177 HB1 ALA 24 3HB ALA 24 3.800 17.191 5.930 178 HB2 ALA 24 1HB ALA 24 5.543 17.269 6.199 179 HB3 ALA 24 2HB ALA 24 4.596 15.964 6.916 180 H GLY 25 H GLY 25 7.341 16.514 4.654 181 HA2 GLY 25 2HA GLY 25 8.662 14.051 4.354 182 HA3 GLY 25 3HA GLY 25 9.411 15.552 4.882 183 H ASP 26 H ASP 26 9.605 12.658 5.732 184 HA ASP 26 HA ASP 26 10.314 11.649 7.640 185 HB2 ASP 26 2HB ASP 26 11.073 13.922 8.376 186 HB3 ASP 26 3HB ASP 26 9.512 14.136 9.160 187 H GLU 27 H GLU 27 7.197 12.850 7.175 188 HA GLU 27 HA GLU 27 5.919 11.823 9.498 189 HB2 GLU 27 2HB GLU 27 4.873 13.603 8.249 190 HB3 GLU 27 3HB GLU 27 4.849 12.628 6.790 191 HG2 GLU 27 2HG GLU 27 3.206 11.156 7.726 192 HG3 GLU 27 3HG GLU 27 3.320 11.956 9.291 193 H THR 28 H THR 28 4.548 10.012 9.674 194 HA THR 28 HA THR 28 4.916 7.930 7.626 195 HB THR 28 HB THR 28 4.893 7.486 10.620 196 HG1 THR 28 HG1 THR 28 6.870 8.257 9.079 197 HG21 THR 28 3HG2 THR 28 5.431 5.166 10.073 198 HG22 THR 28 1HG2 THR 28 5.330 5.541 8.352 199 HG23 THR 28 2HG2 THR 28 3.888 5.635 9.361 200 H VAL 29 H VAL 29 3.004 7.443 6.777 201 HA VAL 29 HA VAL 29 0.580 7.901 8.366 202 HB VAL 29 HB VAL 29 -0.630 7.706 6.186 203 HG11 VAL 29 1HG1 VAL 29 1.536 9.803 6.310 204 HG12 VAL 29 2HG1 VAL 29 -0.041 9.886 7.096 205 HG13 VAL 29 3HG1 VAL 29 0.069 9.897 5.337 206 HG21 VAL 29 3HG2 VAL 29 2.161 7.674 5.030 207 HG22 VAL 29 1HG2 VAL 29 0.670 7.853 4.102 208 HG23 VAL 29 2HG2 VAL 29 0.995 6.352 4.969 209 H GLU 30 H GLU 30 -1.037 6.323 8.533 210 HA GLU 30 HA GLU 30 0.012 3.594 8.336 211 HB2 GLU 30 2HB GLU 30 -2.384 4.665 9.843 212 HB3 GLU 30 3HB GLU 30 -1.830 2.997 9.871 213 HG2 GLU 30 2HG GLU 30 0.307 3.773 10.849 214 HG3 GLU 30 3HG GLU 30 -0.359 5.407 10.909 215 H ILE 31 H ILE 31 -0.486 2.567 6.549 216 HA ILE 31 HA ILE 31 -2.967 3.138 5.133 217 HB ILE 31 HB ILE 31 -0.769 1.188 4.403 218 HG12 ILE 31 2HG1 ILE 31 -1.252 4.011 3.412 219 HG13 ILE 31 3HG1 ILE 31 0.048 3.520 4.492 220 HG21 ILE 31 1HG2 ILE 31 -1.759 1.240 2.173 221 HG22 ILE 31 2HG2 ILE 31 -3.018 2.330 2.749 222 HG23 ILE 31 3HG2 ILE 31 -2.930 0.683 3.370 223 HD11 ILE 31 3HD1 ILE 31 0.833 3.797 2.207 224 HD12 ILE 31 1HD1 ILE 31 -0.323 2.582 1.657 225 HD13 ILE 31 2HD1 ILE 31 0.992 2.124 2.739 226 H ARG 32 H ARG 32 -4.622 2.257 6.202 227 HA ARG 32 HA ARG 32 -4.466 -0.482 7.202 228 HB2 ARG 32 2HB ARG 32 -5.797 1.863 8.018 229 HB3 ARG 32 3HB ARG 32 -7.054 0.766 7.472 230 HG2 ARG 32 2HG ARG 32 -6.307 -0.923 9.033 231 HG3 ARG 32 3HG ARG 32 -4.959 0.105 9.530 232 HD2 ARG 32 2HD ARG 32 -6.631 1.826 10.220 233 HD3 ARG 32 3HD ARG 32 -7.901 0.652 9.888 234 HE ARG 32 HE ARG 32 -6.936 -0.726 11.668 235 HH11 ARG 32 1HH1 ARG 32 -6.017 2.636 11.515 236 HH12 ARG 32 2HH1 ARG 32 -5.646 2.762 13.205 237 HH21 ARG 32 1HH2 ARG 32 -6.487 -0.586 13.903 238 HH22 ARG 32 2HH2 ARG 32 -5.952 0.931 14.580 239 H LEU 33 H LEU 33 -4.705 -1.918 5.578 240 HA LEU 33 HA LEU 33 -6.940 -1.474 3.712 241 HB2 LEU 33 2HB LEU 33 -4.596 -1.184 2.773 242 HB3 LEU 33 3HB LEU 33 -4.371 -2.901 3.034 243 HG LEU 33 HG LEU 33 -6.668 -1.929 1.366 244 HD11 LEU 33 1HD1 LEU 33 -3.845 -2.366 0.407 245 HD12 LEU 33 2HD1 LEU 33 -4.681 -0.816 0.486 246 HD13 LEU 33 3HD1 LEU 33 -5.253 -2.071 -0.613 247 HD21 LEU 33 3HD2 LEU 33 -6.562 -4.300 2.024 248 HD22 LEU 33 1HD2 LEU 33 -4.976 -4.425 1.264 249 HD23 LEU 33 2HD2 LEU 33 -6.399 -4.082 0.282 250 H GLU 34 H GLU 34 -8.368 -3.074 3.517 251 HA GLU 34 HA GLU 34 -7.723 -5.713 4.652 252 HB2 GLU 34 2HB GLU 34 -10.191 -4.056 5.209 253 HB3 GLU 34 3HB GLU 34 -10.041 -5.757 5.621 254 HG2 GLU 34 2HG GLU 34 -8.357 -5.314 7.220 255 HG3 GLU 34 3HG GLU 34 -8.149 -3.665 6.647 256 H ILE 35 H ILE 35 -7.906 -7.093 2.977 257 HA ILE 35 HA ILE 35 -9.952 -6.625 0.955 258 HB ILE 35 HB ILE 35 -7.952 -8.887 1.137 259 HG12 ILE 35 2HG1 ILE 35 -7.892 -6.375 -0.557 260 HG13 ILE 35 3HG1 ILE 35 -6.894 -6.656 0.868 261 HG21 ILE 35 1HG2 ILE 35 -9.719 -7.989 -1.141 262 HG22 ILE 35 2HG2 ILE 35 -9.940 -9.442 -0.168 263 HG23 ILE 35 3HG2 ILE 35 -8.523 -9.286 -1.207 264 HD11 ILE 35 3HD1 ILE 35 -5.623 -7.046 -1.142 265 HD12 ILE 35 1HD1 ILE 35 -6.816 -8.217 -1.702 266 HD13 ILE 35 2HD1 ILE 35 -5.847 -8.562 -0.269 267 H LYS 36 H LYS 36 -11.904 -7.419 1.154 268 HA LYS 36 HA LYS 36 -12.336 -9.706 2.955 269 HB2 LYS 36 2HB LYS 36 -14.112 -7.370 2.236 270 HB3 LYS 36 3HB LYS 36 -14.699 -8.791 3.089 271 HG2 LYS 36 2HG LYS 36 -13.630 -8.256 5.021 272 HG3 LYS 36 3HG LYS 36 -12.318 -7.416 4.194 273 HD2 LYS 36 2HD LYS 36 -13.811 -5.917 5.505 274 HD3 LYS 36 3HD LYS 36 -13.709 -5.505 3.796 275 HE2 LYS 36 2HE LYS 36 -15.841 -6.576 3.375 276 HE3 LYS 36 3HE LYS 36 -15.932 -7.104 5.055 277 HZ1 LYS 36 3HZ LYS 36 -17.244 -5.059 4.462 278 HZ2 LYS 36 1HZ LYS 36 -15.770 -4.239 4.290 279 HZ3 LYS 36 2HZ LYS 36 -16.202 -4.899 5.793 280 HA PRO 37 HA PRO 37 -13.589 -11.394 -1.077 281 HB2 PRO 37 2HB PRO 37 -12.409 -13.872 -0.448 282 HB3 PRO 37 3HB PRO 37 -11.729 -12.613 -1.474 283 HG2 PRO 37 2HG PRO 37 -10.741 -13.458 1.015 284 HG3 PRO 37 3HG PRO 37 -10.249 -12.011 0.121 285 HD2 PRO 37 2HD PRO 37 -12.117 -12.277 2.420 286 HD3 PRO 37 3HD PRO 37 -11.053 -10.925 1.972 287 H SER 38 H SER 38 -15.508 -12.332 -1.384 288 HA SER 38 HA SER 38 -16.963 -13.471 0.790 289 HB2 SER 38 2HB SER 38 -18.662 -13.926 -1.074 290 HB3 SER 38 3HB SER 38 -18.239 -12.238 -0.775 291 HG SER 38 HG SER 38 -17.784 -12.212 -2.826 292 H GLY 39 H GLY 39 -15.461 -14.735 -2.155 293 HA2 GLY 39 2HA GLY 39 -14.569 -17.105 -1.064 294 HA3 GLY 39 3HA GLY 39 -16.184 -17.445 -1.672 295 H ASN 40 H ASN 40 -13.306 -18.160 -2.482 296 HA ASN 40 HA ASN 40 -13.864 -18.232 -5.290 297 HB2 ASN 40 2HB ASN 40 -12.795 -15.937 -4.923 298 HB3 ASN 40 3HB ASN 40 -11.325 -16.797 -4.474 299 HD21 ASN 40 1HD2 ASN 40 -10.168 -15.945 -6.222 300 HD22 ASN 40 2HD2 ASN 40 -10.454 -16.464 -7.851 301 H PHE 41 H PHE 41 -12.108 -19.480 -6.431 302 HA PHE 41 HA PHE 41 -11.397 -21.747 -4.852 303 HB2 PHE 41 2HB PHE 41 -10.630 -20.996 -7.682 304 HB3 PHE 41 3HB PHE 41 -10.303 -22.556 -6.937 305 HD1 PHE 41 HD1 PHE 41 -12.104 -24.118 -6.479 306 HD2 PHE 41 HD2 PHE 41 -12.842 -20.393 -8.400 307 HE1 PHE 41 HE1 PHE 41 -14.314 -24.926 -7.190 308 HE2 PHE 41 HE2 PHE 41 -15.052 -21.196 -9.115 309 HZ PHE 41 HZ PHE 41 -15.795 -23.464 -8.508 310 H ILE 42 H ILE 42 -9.827 -21.648 -3.413 311 HA ILE 42 HA ILE 42 -7.636 -19.796 -3.632 312 HB ILE 42 HB ILE 42 -6.902 -20.749 -1.469 313 HG12 ILE 42 2HG1 ILE 42 -9.364 -22.497 -1.732 314 HG13 ILE 42 3HG1 ILE 42 -7.705 -23.068 -1.873 315 HG21 ILE 42 1HG2 ILE 42 -8.871 -19.981 -0.185 316 HG22 ILE 42 2HG2 ILE 42 -9.813 -19.993 -1.679 317 HG23 ILE 42 3HG2 ILE 42 -8.445 -18.894 -1.507 318 HD11 ILE 42 3HD1 ILE 42 -7.291 -22.415 0.443 319 HD12 ILE 42 1HD1 ILE 42 -8.623 -23.564 0.312 320 HD13 ILE 42 2HD1 ILE 42 -8.957 -21.852 0.580 321 H GLY 43 H GLY 43 -7.872 -22.019 -5.588 322 HA2 GLY 43 2HA GLY 43 -5.738 -23.854 -5.054 323 HA3 GLY 43 3HA GLY 43 -6.555 -23.633 -6.595 324 H THR 44 H THR 44 -5.889 -20.658 -6.279 325 HA THR 44 HA THR 44 -3.240 -20.868 -7.493 326 HB THR 44 HB THR 44 -4.964 -19.725 -8.820 327 HG1 THR 44 HG1 THR 44 -3.758 -17.629 -8.989 328 HG21 THR 44 3HG2 THR 44 -5.880 -17.575 -8.094 329 HG22 THR 44 1HG2 THR 44 -5.050 -17.739 -6.547 330 HG23 THR 44 2HG2 THR 44 -6.333 -18.867 -6.982 331 H VAL 45 H VAL 45 -1.910 -18.731 -7.060 332 HA VAL 45 HA VAL 45 -1.781 -18.424 -4.132 333 HB VAL 45 HB VAL 45 0.501 -18.291 -6.118 334 HG11 VAL 45 1HG1 VAL 45 1.950 -18.226 -4.157 335 HG12 VAL 45 2HG1 VAL 45 0.535 -18.201 -3.104 336 HG13 VAL 45 3HG1 VAL 45 0.854 -16.845 -4.187 337 HG21 VAL 45 3HG2 VAL 45 1.259 -20.387 -5.105 338 HG22 VAL 45 1HG2 VAL 45 -0.326 -20.569 -5.856 339 HG23 VAL 45 2HG2 VAL 45 -0.192 -20.428 -4.102 340 H TYR 46 H TYR 46 -1.689 -16.391 -3.297 341 HA TYR 46 HA TYR 46 -1.673 -14.159 -5.216 342 HB2 TYR 46 2HB TYR 46 -3.049 -14.386 -2.529 343 HB3 TYR 46 3HB TYR 46 -2.949 -12.898 -3.465 344 HD1 TYR 46 HD1 TYR 46 -4.110 -12.735 -5.649 345 HD2 TYR 46 HD2 TYR 46 -4.618 -16.089 -3.082 346 HE1 TYR 46 HE1 TYR 46 -6.136 -13.368 -6.886 347 HE2 TYR 46 HE2 TYR 46 -6.645 -16.734 -4.314 348 HH TYR 46 HH TYR 46 -7.428 -15.491 -7.311 349 H THR 47 H THR 47 0.016 -12.855 -5.125 350 HA THR 47 HA THR 47 1.517 -12.683 -2.594 351 HB THR 47 HB THR 47 3.511 -12.172 -4.186 352 HG1 THR 47 HG1 THR 47 2.084 -12.234 -6.096 353 HG21 THR 47 3HG2 THR 47 4.090 -14.550 -4.277 354 HG22 THR 47 1HG2 THR 47 2.414 -14.974 -3.927 355 HG23 THR 47 2HG2 THR 47 3.380 -14.129 -2.718 356 H LEU 48 H LEU 48 2.334 -10.685 -2.006 357 HA LEU 48 HA LEU 48 1.157 -8.425 -3.477 358 HB2 LEU 48 2HB LEU 48 0.328 -8.623 -1.209 359 HB3 LEU 48 3HB LEU 48 1.965 -8.673 -0.577 360 HG LEU 48 HG LEU 48 2.308 -6.348 -1.389 361 HD11 LEU 48 1HD1 LEU 48 -0.649 -6.434 -1.964 362 HD12 LEU 48 2HD1 LEU 48 0.634 -6.359 -3.173 363 HD13 LEU 48 3HD1 LEU 48 0.394 -5.015 -2.057 364 HD21 LEU 48 3HD2 LEU 48 0.930 -5.280 0.341 365 HD22 LEU 48 1HD2 LEU 48 1.709 -6.752 0.923 366 HD23 LEU 48 2HD2 LEU 48 -0.002 -6.769 0.500 367 H ARG 49 H ARG 49 2.417 -6.978 -4.388 368 HA ARG 49 HA ARG 49 5.041 -6.370 -3.317 369 HB2 ARG 49 2HB ARG 49 6.111 -6.534 -5.570 370 HB3 ARG 49 3HB ARG 49 5.661 -8.087 -4.885 371 HG2 ARG 49 2HG ARG 49 3.736 -8.217 -6.335 372 HG3 ARG 49 3HG ARG 49 4.064 -6.598 -6.962 373 HD2 ARG 49 2HD ARG 49 6.152 -7.342 -7.910 374 HD3 ARG 49 3HD ARG 49 5.958 -8.934 -7.180 375 HE ARG 49 HE ARG 49 4.071 -9.294 -8.691 376 HH11 ARG 49 1HH1 ARG 49 6.262 -6.665 -9.446 377 HH12 ARG 49 2HH1 ARG 49 5.928 -6.701 -11.149 378 HH21 ARG 49 1HH2 ARG 49 3.658 -9.366 -10.953 379 HH22 ARG 49 2HH2 ARG 49 4.464 -8.224 -11.996 380 H TYR 50 H TYR 50 5.846 -4.288 -4.149 381 HA TYR 50 HA TYR 50 3.808 -2.775 -5.610 382 HB2 TYR 50 2HB TYR 50 3.824 -0.946 -4.099 383 HB3 TYR 50 3HB TYR 50 3.592 -2.392 -3.127 384 HD1 TYR 50 HD1 TYR 50 5.488 -3.260 -1.749 385 HD2 TYR 50 HD2 TYR 50 5.704 0.469 -3.786 386 HE1 TYR 50 HE1 TYR 50 7.364 -2.581 -0.311 387 HE2 TYR 50 HE2 TYR 50 7.579 1.154 -2.356 388 HH TYR 50 HH TYR 50 9.178 -1.058 -0.229 389 H PHE 51 H PHE 51 4.643 -0.587 -6.253 390 HA PHE 51 HA PHE 51 7.513 -0.643 -6.864 391 HB2 PHE 51 2HB PHE 51 5.215 -0.256 -8.748 392 HB3 PHE 51 3HB PHE 51 6.752 0.532 -9.074 393 HD1 PHE 51 HD2 PHE 51 8.819 -0.932 -9.233 394 HD2 PHE 51 HD1 PHE 51 4.858 -2.473 -9.360 395 HE1 PHE 51 HE2 PHE 51 9.654 -2.977 -10.314 396 HE2 PHE 51 HE1 PHE 51 5.684 -4.523 -10.440 397 HZ PHE 51 HZ PHE 51 8.086 -4.775 -10.919 398 H GLN 52 H GLN 52 8.508 1.356 -7.090 399 HA GLN 52 HA GLN 52 6.997 3.643 -6.004 400 HB2 GLN 52 2HB GLN 52 9.856 2.781 -5.697 401 HB3 GLN 52 3HB GLN 52 9.429 4.475 -5.521 402 HG2 GLN 52 2HG GLN 52 8.062 2.318 -3.956 403 HG3 GLN 52 3HG GLN 52 9.558 3.073 -3.413 404 HE21 GLN 52 1HE2 GLN 52 8.557 3.943 -1.598 405 HE22 GLN 52 2HE2 GLN 52 7.475 5.293 -1.701 406 HA PRO 53 HA PRO 53 8.039 4.784 -10.343 407 HB2 PRO 53 2HB PRO 53 5.439 6.085 -10.369 408 HB3 PRO 53 3HB PRO 53 6.022 4.752 -11.367 409 HG2 PRO 53 2HG PRO 53 4.099 4.447 -9.481 410 HG3 PRO 53 3HG PRO 53 5.225 3.155 -9.930 411 HD2 PRO 53 2HD PRO 53 5.312 5.007 -7.571 412 HD3 PRO 53 3HD PRO 53 5.631 3.258 -7.644 413 H ASP 54 H ASP 54 6.051 6.908 -8.252 414 HA ASP 54 HA ASP 54 7.834 9.126 -9.016 415 HB2 ASP 54 2HB ASP 54 4.922 9.293 -8.198 416 HB3 ASP 54 3HB ASP 54 5.949 10.649 -8.646 417 H GLY 55 H GLY 55 9.257 9.255 -7.357 418 HA2 GLY 55 2HA GLY 55 9.534 10.488 -5.269 419 HA3 GLY 55 3HA GLY 55 8.070 9.706 -4.694 420 H LYS 56 H LYS 56 9.496 9.217 -2.846 421 HA LYS 56 HA LYS 56 10.495 6.550 -3.035 422 HB2 LYS 56 2HB LYS 56 12.442 7.677 -3.940 423 HB3 LYS 56 3HB LYS 56 12.452 8.816 -2.602 424 HG2 LYS 56 2HG LYS 56 13.075 7.070 -1.060 425 HG3 LYS 56 3HG LYS 56 12.930 5.851 -2.333 426 HD2 LYS 56 2HD LYS 56 14.780 6.746 -3.518 427 HD3 LYS 56 3HD LYS 56 14.810 8.197 -2.516 428 HE2 LYS 56 2HE LYS 56 15.385 5.400 -1.539 429 HE3 LYS 56 3HE LYS 56 16.611 6.593 -1.965 430 HZ1 LYS 56 3HZ LYS 56 15.410 8.049 -0.242 431 HZ2 LYS 56 1HZ LYS 56 16.419 6.804 0.318 432 HZ3 LYS 56 2HZ LYS 56 14.740 6.596 0.313 433 H GLY 57 H GLY 57 10.265 5.564 -1.139 434 HA2 GLY 57 2HA GLY 57 10.623 6.837 1.386 435 HA3 GLY 57 3HA GLY 57 8.916 6.645 0.998 436 H SER 58 H SER 58 9.878 5.355 3.193 437 HA SER 58 HA SER 58 10.445 2.615 2.326 438 HB2 SER 58 2HB SER 58 10.972 2.303 4.813 439 HB3 SER 58 3HB SER 58 12.067 3.338 3.894 440 HG SER 58 HG SER 58 10.127 4.040 5.806 441 H LEU 59 H LEU 59 8.736 1.345 2.117 442 HA LEU 59 HA LEU 59 6.380 1.791 3.791 443 HB2 LEU 59 2HB LEU 59 6.108 1.544 1.336 444 HB3 LEU 59 3HB LEU 59 6.760 -0.080 1.449 445 HG LEU 59 HG LEU 59 4.848 -0.726 2.880 446 HD11 LEU 59 1HD1 LEU 59 2.916 0.778 3.016 447 HD12 LEU 59 2HD1 LEU 59 3.865 2.052 2.255 448 HD13 LEU 59 3HD1 LEU 59 4.329 1.436 3.840 449 HD21 LEU 59 3HD2 LEU 59 4.776 -1.114 0.473 450 HD22 LEU 59 1HD2 LEU 59 4.094 0.494 0.227 451 HD23 LEU 59 2HD2 LEU 59 3.174 -0.731 1.102 452 H LYS 60 H LYS 60 6.461 0.809 5.688 453 HA LYS 60 HA LYS 60 7.663 -1.879 5.838 454 HB2 LYS 60 2HB LYS 60 8.937 -0.175 7.065 455 HB3 LYS 60 3HB LYS 60 7.491 0.289 7.949 456 HG2 LYS 60 2HG LYS 60 7.430 -1.810 9.077 457 HG3 LYS 60 3HG LYS 60 8.731 -2.441 8.076 458 HD2 LYS 60 2HD LYS 60 9.615 -1.844 10.233 459 HD3 LYS 60 3HD LYS 60 10.238 -0.719 9.028 460 HE2 LYS 60 2HE LYS 60 8.732 0.986 9.728 461 HE3 LYS 60 3HE LYS 60 7.835 -0.140 10.744 462 HZ1 LYS 60 3HZ LYS 60 9.753 -0.351 12.171 463 HZ2 LYS 60 1HZ LYS 60 9.319 1.278 12.035 464 HZ3 LYS 60 2HZ LYS 60 10.660 0.677 11.184 465 H MET 61 H MET 61 6.593 -3.440 7.169 466 HA MET 61 HA MET 61 3.742 -3.047 7.460 467 HB2 MET 61 2HB MET 61 5.512 -5.367 8.259 468 HB3 MET 61 3HB MET 61 3.759 -5.359 8.386 469 HG2 MET 61 2HG MET 61 3.606 -5.060 5.951 470 HG3 MET 61 3HG MET 61 5.364 -5.142 5.849 471 HE1 MET 61 3HE MET 61 2.985 -7.204 8.200 472 HE2 MET 61 1HE MET 61 2.709 -8.655 7.234 473 HE3 MET 61 2HE MET 61 2.067 -7.101 6.698 474 H GLU 62 H GLU 62 3.127 -4.317 9.845 475 HA GLU 62 HA GLU 62 3.111 -2.171 11.586 476 HB2 GLU 62 2HB GLU 62 2.888 -5.095 12.320 477 HB3 GLU 62 3HB GLU 62 2.403 -3.751 13.342 478 HG2 GLU 62 2HG GLU 62 0.405 -4.447 12.441 479 HG3 GLU 62 3HG GLU 62 0.856 -3.112 11.382 480 H ASP 63 H ASP 63 5.061 -1.244 11.921 481 HA ASP 63 HA ASP 63 6.910 -0.697 13.079 482 HB2 ASP 63 2HB ASP 63 5.720 -1.559 15.043 483 HB3 ASP 63 3HB ASP 63 6.347 -3.170 14.720 484 H GLY 64 H GLY 64 6.735 -3.514 11.258 485 HA2 GLY 64 2HA GLY 64 9.635 -3.728 11.138 486 HA3 GLY 64 3HA GLY 64 8.814 -5.130 11.807 487 H THR 65 H THR 65 10.348 -5.412 9.594 488 HA THR 65 HA THR 65 10.346 -6.362 7.544 489 HB THR 65 HB THR 65 7.338 -6.453 7.855 490 HG1 THR 65 HG1 THR 65 7.757 -8.070 9.148 491 HG21 THR 65 3HG2 THR 65 8.018 -6.634 5.510 492 HG22 THR 65 1HG2 THR 65 7.407 -8.175 6.110 493 HG23 THR 65 2HG2 THR 65 9.143 -7.926 5.931 494 H VAL 66 H VAL 66 11.177 -4.628 6.444 495 HA VAL 66 HA VAL 66 9.382 -2.639 5.320 496 HB VAL 66 HB VAL 66 12.352 -3.016 4.869 497 HG11 VAL 66 1HG1 VAL 66 12.299 -0.727 4.021 498 HG12 VAL 66 2HG1 VAL 66 10.551 -0.679 4.251 499 HG13 VAL 66 3HG1 VAL 66 11.254 -1.782 3.071 500 HG21 VAL 66 3HG2 VAL 66 10.909 -1.124 6.722 501 HG22 VAL 66 1HG2 VAL 66 12.649 -1.172 6.438 502 HG23 VAL 66 2HG2 VAL 66 11.844 -2.538 7.211 503 H LEU 67 H LEU 67 8.359 -2.953 3.462 504 HA LEU 67 HA LEU 67 8.902 -5.275 1.865 505 HB2 LEU 67 2HB LEU 67 6.997 -2.982 1.379 506 HB3 LEU 67 3HB LEU 67 7.012 -4.500 0.502 507 HG LEU 67 HG LEU 67 6.386 -4.178 3.442 508 HD11 LEU 67 1HD1 LEU 67 4.630 -3.285 2.013 509 HD12 LEU 67 2HD1 LEU 67 4.108 -4.776 2.797 510 HD13 LEU 67 3HD1 LEU 67 4.589 -4.794 1.100 511 HD21 LEU 67 3HD2 LEU 67 5.750 -6.537 3.350 512 HD22 LEU 67 1HD2 LEU 67 7.456 -6.316 2.957 513 HD23 LEU 67 2HD2 LEU 67 6.287 -6.621 1.671 514 H LYS 68 H LYS 68 9.588 -5.317 -0.300 515 HA LYS 68 HA LYS 68 11.188 -2.951 -1.029 516 HB2 LYS 68 2HB LYS 68 11.779 -5.883 -1.483 517 HB3 LYS 68 3HB LYS 68 12.755 -4.561 -2.108 518 HG2 LYS 68 2HG LYS 68 13.390 -3.891 0.088 519 HG3 LYS 68 3HG LYS 68 12.226 -4.996 0.819 520 HD2 LYS 68 2HD LYS 68 14.616 -5.831 -0.832 521 HD3 LYS 68 3HD LYS 68 14.540 -5.855 0.930 522 HE2 LYS 68 2HE LYS 68 12.605 -7.399 0.772 523 HE3 LYS 68 3HE LYS 68 12.825 -7.440 -0.974 524 HZ1 LYS 68 3HZ LYS 68 15.068 -8.332 -0.599 525 HZ2 LYS 68 1HZ LYS 68 13.857 -9.342 0.021 526 HZ3 LYS 68 2HZ LYS 68 14.769 -8.373 1.071 527 HA PRO 69 HA PRO 69 9.247 -2.551 -4.993 528 HB2 PRO 69 2HB PRO 69 11.998 -2.930 -6.099 529 HB3 PRO 69 3HB PRO 69 10.797 -1.688 -6.470 530 HG2 PRO 69 2HG PRO 69 12.872 -1.132 -4.902 531 HG3 PRO 69 3HG PRO 69 11.263 -0.472 -4.550 532 HD2 PRO 69 2HD PRO 69 12.744 -2.674 -3.200 533 HD3 PRO 69 3HD PRO 69 11.597 -1.501 -2.524 534 H ASN 70 H ASN 70 8.105 -4.137 -5.749 535 HA ASN 70 HA ASN 70 7.412 -6.296 -6.039 536 HB2 ASN 70 2HB ASN 70 7.713 -6.949 -8.258 537 HB3 ASN 70 3HB ASN 70 7.861 -5.207 -8.259 538 HD21 ASN 70 1HD2 ASN 70 10.688 -5.311 -7.313 539 HD22 ASN 70 2HD2 ASN 70 11.592 -5.810 -8.699 540 H ASP 71 H ASP 71 9.031 -6.683 -3.967 541 HA ASP 71 HA ASP 71 10.860 -8.828 -4.654 542 HB2 ASP 71 2HB ASP 71 11.451 -8.910 -2.316 543 HB3 ASP 71 3HB ASP 71 11.446 -7.235 -2.849 544 H ARG 72 H ARG 72 7.638 -8.442 -3.647 545 HA ARG 72 HA ARG 72 5.873 -9.871 -3.663 546 HB2 ARG 72 2HB ARG 72 7.971 -11.655 -4.799 547 HB3 ARG 72 3HB ARG 72 6.459 -12.371 -4.262 548 HG2 ARG 72 2HG ARG 72 5.227 -10.913 -5.779 549 HG3 ARG 72 3HG ARG 72 6.747 -10.184 -6.313 550 HD2 ARG 72 2HD ARG 72 7.510 -12.263 -7.204 551 HD3 ARG 72 3HD ARG 72 6.149 -13.129 -6.495 552 HE ARG 72 HE ARG 72 4.934 -11.357 -8.140 553 HH11 ARG 72 1HH1 ARG 72 7.545 -13.648 -8.610 554 HH12 ARG 72 2HH1 ARG 72 7.135 -13.965 -10.269 555 HH21 ARG 72 1HH2 ARG 72 4.410 -11.760 -10.338 556 HH22 ARG 72 2HH2 ARG 72 5.374 -12.892 -11.245 557 H TYR 73 H TYR 73 5.059 -10.139 -1.722 558 HA TYR 73 HA TYR 73 6.254 -12.227 -0.019 559 HB2 TYR 73 2HB TYR 73 4.917 -9.657 0.638 560 HB3 TYR 73 3HB TYR 73 4.589 -11.023 1.699 561 HD1 TYR 73 HD2 TYR 73 7.375 -9.061 0.210 562 HD2 TYR 73 HD1 TYR 73 6.107 -11.606 3.372 563 HE1 TYR 73 HE2 TYR 73 9.499 -8.664 1.376 564 HE2 TYR 73 HE1 TYR 73 8.232 -11.217 4.551 565 HH TYR 73 HH TYR 73 10.504 -8.792 3.482 566 H LEU 74 H LEU 74 5.102 -13.999 0.376 567 HA LEU 74 HA LEU 74 2.482 -14.279 -0.821 568 HB2 LEU 74 2HB LEU 74 4.419 -16.029 -0.753 569 HB3 LEU 74 3HB LEU 74 3.850 -16.358 0.870 570 HG LEU 74 HG LEU 74 2.121 -16.597 -1.594 571 HD11 LEU 74 1HD1 LEU 74 2.441 -19.001 -1.397 572 HD12 LEU 74 2HD1 LEU 74 3.579 -18.752 -0.074 573 HD13 LEU 74 3HD1 LEU 74 3.972 -18.180 -1.695 574 HD21 LEU 74 3HD2 LEU 74 0.655 -17.904 -0.125 575 HD22 LEU 74 1HD2 LEU 74 0.853 -16.251 0.457 576 HD23 LEU 74 2HD2 LEU 74 1.726 -17.569 1.237 577 H LEU 75 H LEU 75 0.820 -13.460 0.287 578 HA LEU 75 HA LEU 75 0.941 -13.550 3.222 579 HB2 LEU 75 2HB LEU 75 -0.618 -11.697 1.421 580 HB3 LEU 75 3HB LEU 75 -0.682 -11.686 3.171 581 HG LEU 75 HG LEU 75 1.746 -11.060 1.491 582 HD11 LEU 75 1HD1 LEU 75 0.063 -9.307 1.419 583 HD12 LEU 75 2HD1 LEU 75 1.463 -8.797 2.365 584 HD13 LEU 75 3HD1 LEU 75 -0.019 -9.298 3.180 585 HD21 LEU 75 3HD2 LEU 75 1.373 -10.965 4.482 586 HD22 LEU 75 1HD2 LEU 75 2.810 -10.456 3.596 587 HD23 LEU 75 2HD2 LEU 75 2.333 -12.154 3.604 588 H ASN 76 H ASN 76 -0.270 -15.019 4.142 589 HA ASN 76 HA ASN 76 -2.614 -16.113 2.836 590 HB2 ASN 76 2HB ASN 76 -1.335 -16.643 5.528 591 HB3 ASN 76 3HB ASN 76 -2.805 -17.446 4.984 592 HD21 ASN 76 1HD2 ASN 76 0.626 -17.082 4.461 593 HD22 ASN 76 2HD2 ASN 76 0.827 -18.518 3.503 594 H GLU 77 H GLU 77 -1.884 -13.497 4.780 595 HA GLU 77 HA GLU 77 -4.593 -13.266 5.858 596 HB2 GLU 77 2HB GLU 77 -2.711 -12.847 7.395 597 HB3 GLU 77 3HB GLU 77 -2.124 -11.576 6.335 598 HG2 GLU 77 2HG GLU 77 -3.307 -10.717 8.300 599 HG3 GLU 77 3HG GLU 77 -4.068 -10.236 6.784 600 H TRP 78 H TRP 78 -6.007 -11.715 5.140 601 HA TRP 78 HA TRP 78 -5.289 -10.571 2.544 602 HB2 TRP 78 2HB TRP 78 -7.961 -11.114 3.838 603 HB3 TRP 78 3HB TRP 78 -7.777 -10.295 2.291 604 HD1 TRP 78 HD1 TRP 78 -7.166 -13.742 3.914 605 HE1 TRP 78 HE1 TRP 78 -7.154 -15.517 2.048 606 HE3 TRP 78 HE3 TRP 78 -7.477 -10.655 -0.144 607 HZ2 TRP 78 HZ2 TRP 78 -7.272 -15.597 -0.772 608 HZ3 TRP 78 HZ3 TRP 78 -7.526 -11.660 -2.388 609 HH2 TRP 78 HH2 TRP 78 -7.423 -14.080 -2.694 610 H LYS 79 H LYS 79 -5.384 -9.564 5.669 611 HA LYS 79 HA LYS 79 -5.772 -6.785 4.799 612 HB2 LYS 79 2HB LYS 79 -6.825 -6.249 6.952 613 HB3 LYS 79 3HB LYS 79 -7.763 -7.436 6.054 614 HG2 LYS 79 2HG LYS 79 -6.605 -9.188 7.424 615 HG3 LYS 79 3HG LYS 79 -6.005 -7.883 8.437 616 HD2 LYS 79 2HD LYS 79 -8.235 -7.224 9.015 617 HD3 LYS 79 3HD LYS 79 -8.921 -8.367 7.858 618 HE2 LYS 79 2HE LYS 79 -7.259 -9.131 10.256 619 HE3 LYS 79 3HE LYS 79 -9.021 -9.159 10.205 620 HZ1 LYS 79 3HZ LYS 79 -8.952 -10.819 8.489 621 HZ2 LYS 79 1HZ LYS 79 -8.016 -11.347 9.799 622 HZ3 LYS 79 2HZ LYS 79 -7.257 -10.744 8.405 623 H PHE 80 H PHE 80 -4.465 -5.271 5.841 624 HA PHE 80 HA PHE 80 -2.470 -6.133 7.724 625 HB2 PHE 80 2HB PHE 80 -0.564 -5.547 6.142 626 HB3 PHE 80 3HB PHE 80 -1.386 -7.073 5.842 627 HD1 PHE 80 HD1 PHE 80 -1.034 -3.586 4.675 628 HD2 PHE 80 HD2 PHE 80 -2.509 -7.486 3.805 629 HE1 PHE 80 HE1 PHE 80 -1.440 -2.911 2.346 630 HE2 PHE 80 HE2 PHE 80 -2.924 -6.811 1.477 631 HZ PHE 80 HZ PHE 80 -2.387 -4.524 0.744 632 H ARG 81 H ARG 81 -1.015 -4.424 8.352 633 HA ARG 81 HA ARG 81 -2.114 -1.740 7.809 634 HB2 ARG 81 2HB ARG 81 -0.793 -2.911 10.259 635 HB3 ARG 81 3HB ARG 81 -0.906 -1.180 10.012 636 HG2 ARG 81 2HG ARG 81 -2.649 -1.946 11.496 637 HG3 ARG 81 3HG ARG 81 -3.345 -1.340 9.999 638 HD2 ARG 81 2HD ARG 81 -4.297 -3.501 11.001 639 HD3 ARG 81 3HD ARG 81 -3.950 -3.464 9.275 640 HE ARG 81 HE ARG 81 -1.668 -4.479 10.321 641 HH11 ARG 81 1HH1 ARG 81 -5.021 -5.327 10.862 642 HH12 ARG 81 2HH1 ARG 81 -4.712 -7.035 10.945 643 HH21 ARG 81 1HH2 ARG 81 -1.253 -6.703 10.382 644 HH22 ARG 81 2HH2 ARG 81 -2.556 -7.829 10.663 645 H LEU 82 H LEU 82 -0.767 -0.359 6.802 646 HA LEU 82 HA LEU 82 2.062 -1.159 6.613 647 HB2 LEU 82 2HB LEU 82 0.359 0.386 4.662 648 HB3 LEU 82 3HB LEU 82 2.089 0.156 4.496 649 HG LEU 82 HG LEU 82 0.005 -2.026 4.462 650 HD11 LEU 82 1HD1 LEU 82 1.728 -0.893 2.264 651 HD12 LEU 82 2HD1 LEU 82 -0.011 -0.660 2.445 652 HD13 LEU 82 3HD1 LEU 82 0.633 -2.268 2.115 653 HD21 LEU 82 3HD2 LEU 82 2.997 -2.168 4.084 654 HD22 LEU 82 1HD2 LEU 82 1.865 -3.502 3.851 655 HD23 LEU 82 2HD2 LEU 82 2.089 -2.804 5.455 656 H TYR 83 H TYR 83 3.611 0.245 7.078 657 HA TYR 83 HA TYR 83 2.807 2.943 7.919 658 HB2 TYR 83 2HB TYR 83 5.020 1.131 8.906 659 HB3 TYR 83 3HB TYR 83 4.951 2.851 9.289 660 HD1 TYR 83 HD2 TYR 83 3.385 -0.416 9.859 661 HD2 TYR 83 HD1 TYR 83 3.277 3.732 10.790 662 HE1 TYR 83 HE2 TYR 83 1.840 -0.879 11.716 663 HE2 TYR 83 HE1 TYR 83 1.735 3.281 12.649 664 HH TYR 83 HH TYR 83 0.105 1.591 13.296 665 H TYR 84 H TYR 84 3.214 4.273 6.312 666 HA TYR 84 HA TYR 84 5.587 3.810 4.658 667 HB2 TYR 84 2HB TYR 84 3.396 3.986 3.499 668 HB3 TYR 84 3HB TYR 84 3.231 5.628 4.113 669 HD1 TYR 84 HD2 TYR 84 5.674 3.541 2.203 670 HD2 TYR 84 HD1 TYR 84 3.876 7.365 2.724 671 HE1 TYR 84 HE2 TYR 84 6.914 4.379 0.256 672 HE2 TYR 84 HE1 TYR 84 5.112 8.214 0.774 673 HH TYR 84 HH TYR 84 7.036 7.742 -0.534 674 H THR 85 H THR 85 7.299 4.815 5.417 675 HA THR 85 HA THR 85 7.008 7.454 6.644 676 HB THR 85 HB THR 85 9.442 5.655 6.511 677 HG1 THR 85 HG1 THR 85 7.583 6.141 8.631 678 HG21 THR 85 3HG2 THR 85 9.994 8.040 6.780 679 HG22 THR 85 1HG2 THR 85 10.364 7.112 8.235 680 HG23 THR 85 2HG2 THR 85 8.921 8.123 8.178 681 H SER 86 H SER 86 7.224 9.166 5.365 682 HA SER 86 HA SER 86 8.509 8.984 2.802 683 HB2 SER 86 2HB SER 86 8.011 11.555 2.931 684 HB3 SER 86 3HB SER 86 6.678 10.409 2.759 685 HG SER 86 HG SER 86 6.870 12.183 4.587 686 H GLN 87 H GLN 87 10.622 8.721 2.910 687 HA GLN 87 HA GLN 87 12.230 10.336 4.737 688 HB2 GLN 87 2HB GLN 87 14.078 8.792 4.024 689 HB3 GLN 87 3HB GLN 87 12.732 7.998 4.833 690 HG2 GLN 87 2HG GLN 87 11.854 7.246 2.708 691 HG3 GLN 87 3HG GLN 87 13.127 8.112 1.853 692 HE21 GLN 87 1HE2 GLN 87 13.704 6.408 4.838 693 HE22 GLN 87 2HE2 GLN 87 14.646 5.134 4.150 694 H SER 88 H SER 88 11.406 10.039 1.411 695 HA SER 88 HA SER 88 13.451 12.039 0.728 696 HB2 SER 88 2HB SER 88 12.370 9.880 -1.105 697 HB3 SER 88 3HB SER 88 13.655 11.031 -1.475 698 HG SER 88 HG SER 88 14.743 10.040 0.446 699 H ASP 89 H ASP 89 10.920 12.661 1.707 700 HA ASP 89 HA ASP 89 9.070 13.107 -0.449 701 HB2 ASP 89 2HB ASP 89 8.185 12.713 1.775 702 HB3 ASP 89 3HB ASP 89 9.085 14.084 2.414 703 H LYS 90 H LYS 90 9.719 14.492 -1.957 704 HA LYS 90 HA LYS 90 10.227 17.258 -1.091 705 HB2 LYS 90 2HB LYS 90 11.383 15.973 -3.574 706 HB3 LYS 90 3HB LYS 90 11.718 17.586 -2.962 707 HG2 LYS 90 2HG LYS 90 12.823 16.619 -1.011 708 HG3 LYS 90 3HG LYS 90 12.486 14.999 -1.627 709 HD2 LYS 90 2HD LYS 90 14.180 17.107 -2.962 710 HD3 LYS 90 3HD LYS 90 14.763 15.651 -2.157 711 HE2 LYS 90 2HE LYS 90 13.623 14.261 -3.796 712 HE3 LYS 90 3HE LYS 90 12.972 15.698 -4.583 713 HZ1 LYS 90 3HZ LYS 90 15.260 16.391 -5.071 714 HZ2 LYS 90 1HZ LYS 90 14.884 14.894 -5.777 715 HZ3 LYS 90 2HZ LYS 90 15.840 14.957 -4.380 716 H GLU 91 H GLU 91 9.286 15.174 -3.778 717 HA GLU 91 HA GLU 91 7.348 17.202 -4.652 718 HB2 GLU 91 2HB GLU 91 8.627 14.914 -6.161 719 HB3 GLU 91 3HB GLU 91 7.383 15.968 -6.821 720 HG2 GLU 91 2HG GLU 91 10.088 16.879 -5.864 721 HG3 GLU 91 3HG GLU 91 9.648 16.579 -7.547 722 H ALA 92 H ALA 92 5.674 15.657 -6.147 723 HA ALA 92 HA ALA 92 3.948 14.535 -4.230 724 HB1 ALA 92 3HB ALA 92 3.947 14.205 -7.228 725 HB2 ALA 92 1HB ALA 92 3.142 15.487 -6.323 726 HB3 ALA 92 2HB ALA 92 2.607 13.817 -6.149 727 H GLN 93 H GLN 93 3.765 12.544 -3.428 728 HA GLN 93 HA GLN 93 5.554 10.473 -4.479 729 HB2 GLN 93 2HB GLN 93 4.175 10.789 -1.816 730 HB3 GLN 93 3HB GLN 93 4.954 9.290 -2.302 731 HG2 GLN 93 2HG GLN 93 7.080 10.493 -2.549 732 HG3 GLN 93 3HG GLN 93 6.288 11.972 -2.009 733 HE21 GLN 93 1HE2 GLN 93 5.793 12.235 0.144 734 HE22 GLN 93 2HE2 GLN 93 6.369 11.165 1.371 735 H THR 94 H THR 94 4.776 8.832 -5.580 736 HA THR 94 HA THR 94 1.913 8.190 -5.342 737 HB THR 94 HB THR 94 3.479 8.254 -7.931 738 HG1 THR 94 HG1 THR 94 1.933 10.144 -6.591 739 HG21 THR 94 3HG2 THR 94 0.528 7.849 -7.418 740 HG22 THR 94 1HG2 THR 94 1.668 6.585 -7.877 741 HG23 THR 94 2HG2 THR 94 1.313 7.899 -8.997 742 H ILE 95 H ILE 95 1.759 6.197 -4.594 743 HA ILE 95 HA ILE 95 3.844 4.257 -5.353 744 HB ILE 95 HB ILE 95 3.344 3.041 -3.279 745 HG12 ILE 95 2HG1 ILE 95 1.588 5.408 -2.581 746 HG13 ILE 95 3HG1 ILE 95 1.001 3.806 -3.011 747 HG21 ILE 95 1HG2 ILE 95 4.049 5.938 -2.838 748 HG22 ILE 95 2HG2 ILE 95 5.163 4.650 -3.297 749 HG23 ILE 95 3HG2 ILE 95 4.381 4.618 -1.716 750 HD11 ILE 95 3HD1 ILE 95 2.688 4.484 -0.610 751 HD12 ILE 95 1HD1 ILE 95 2.095 2.878 -1.035 752 HD13 ILE 95 2HD1 ILE 95 0.955 4.154 -0.606 753 H ASP 96 H ASP 96 3.238 2.245 -6.062 754 HA ASP 96 HA ASP 96 0.342 1.881 -6.478 755 HB2 ASP 96 2HB ASP 96 2.653 1.192 -8.289 756 HB3 ASP 96 3HB ASP 96 1.060 0.472 -8.488 757 H LEU 97 H LEU 97 -0.438 0.345 -5.243 758 HA LEU 97 HA LEU 97 1.275 -1.838 -4.330 759 HB2 LEU 97 2HB LEU 97 -1.577 -1.124 -3.627 760 HB3 LEU 97 3HB LEU 97 -0.669 -2.441 -2.912 761 HG LEU 97 HG LEU 97 0.004 0.494 -2.661 762 HD11 LEU 97 1HD1 LEU 97 -2.004 -0.189 -1.417 763 HD12 LEU 97 2HD1 LEU 97 -0.668 0.242 -0.350 764 HD13 LEU 97 3HD1 LEU 97 -1.066 -1.454 -0.623 765 HD21 LEU 97 3HD2 LEU 97 1.998 -0.907 -2.649 766 HD22 LEU 97 1HD2 LEU 97 1.278 -1.936 -1.411 767 HD23 LEU 97 2HD2 LEU 97 1.675 -0.259 -1.040 768 H TYR 98 H TYR 98 1.396 -3.641 -5.496 769 HA TYR 98 HA TYR 98 -0.781 -4.245 -7.370 770 HB2 TYR 98 2HB TYR 98 2.087 -5.201 -7.301 771 HB3 TYR 98 3HB TYR 98 0.885 -5.746 -8.463 772 HD1 TYR 98 HD2 TYR 98 2.810 -2.798 -7.321 773 HD2 TYR 98 HD1 TYR 98 0.380 -4.469 -10.386 774 HE1 TYR 98 HE2 TYR 98 3.400 -0.929 -8.802 775 HE2 TYR 98 HE1 TYR 98 0.969 -2.606 -11.878 776 HH TYR 98 HH TYR 98 1.774 -0.328 -11.755 777 H PHE 99 H PHE 99 -2.249 -5.508 -6.379 778 HA PHE 99 HA PHE 99 -1.386 -7.805 -4.816 779 HB2 PHE 99 2HB PHE 99 -4.160 -6.974 -5.729 780 HB3 PHE 99 3HB PHE 99 -3.804 -8.290 -4.615 781 HD1 PHE 99 HD2 PHE 99 -2.958 -7.815 -2.367 782 HD2 PHE 99 HD1 PHE 99 -4.122 -4.700 -5.021 783 HE1 PHE 99 HE2 PHE 99 -3.032 -6.241 -0.481 784 HE2 PHE 99 HE1 PHE 99 -4.199 -3.119 -3.136 785 HZ PHE 99 HZ PHE 99 -3.658 -3.890 -0.864 786 H GLU 100 H GLU 100 -0.782 -9.624 -5.798 787 HA GLU 100 HA GLU 100 -1.451 -9.844 -8.654 788 HB2 GLU 100 2HB GLU 100 0.836 -9.128 -8.283 789 HB3 GLU 100 3HB GLU 100 1.117 -10.495 -7.216 790 HG2 GLU 100 2HG GLU 100 0.796 -12.020 -9.091 791 HG3 GLU 100 3HG GLU 100 0.525 -10.644 -10.161 792 H ASP 101 H ASP 101 -2.477 -11.593 -9.238 793 HA ASP 101 HA ASP 101 -2.478 -14.010 -7.637 794 HB2 ASP 101 2HB ASP 101 -4.521 -13.223 -8.850 795 HB3 ASP 101 3HB ASP 101 -3.672 -13.462 -10.372 796 H ASN 102 H ASN 102 -1.600 -15.985 -8.377 797 HA ASN 102 HA ASN 102 0.940 -15.939 -9.433 798 HB2 ASN 102 2HB ASN 102 -0.045 -17.855 -8.203 799 HB3 ASN 102 3HB ASN 102 -1.015 -18.241 -9.619 800 HD21 ASN 102 1HD2 ASN 102 -0.142 -20.223 -9.990 801 HD22 ASN 102 2HD2 ASN 102 1.498 -20.471 -10.482 802 H TRP 103 H TRP 103 -2.123 -16.376 -11.146 803 HA TRP 103 HA TRP 103 -0.766 -15.752 -13.651 804 HB2 TRP 103 2HB TRP 103 -1.687 -17.698 -14.829 805 HB3 TRP 103 3HB TRP 103 -0.584 -18.174 -13.544 806 HD1 TRP 103 HD1 TRP 103 -1.664 -19.373 -11.379 807 HE1 TRP 103 HE1 TRP 103 -3.880 -20.651 -11.070 808 HE3 TRP 103 HE3 TRP 103 -4.103 -17.768 -15.579 809 HZ2 TRP 103 HZ2 TRP 103 -6.341 -20.927 -12.434 810 HZ3 TRP 103 HZ3 TRP 103 -6.386 -18.584 -16.001 811 HH2 TRP 103 HH2 TRP 103 -7.479 -20.132 -14.460 812 H GLY 104 H GLY 104 -3.556 -15.644 -11.702 813 HA2 GLY 104 2HA GLY 104 -5.465 -15.407 -13.842 814 HA3 GLY 104 3HA GLY 104 -5.775 -15.182 -12.132 815 H ASN 105 H ASN 105 -5.668 -13.130 -11.243 816 HA ASN 105 HA ASN 105 -5.698 -11.004 -13.286 817 HB2 ASN 105 2HB ASN 105 -7.408 -11.367 -10.825 818 HB3 ASN 105 3HB ASN 105 -7.353 -9.868 -11.748 819 HD21 ASN 105 1HD2 ASN 105 -8.280 -9.779 -13.769 820 HD22 ASN 105 2HD2 ASN 105 -9.354 -11.011 -14.359 821 H LEU 106 H LEU 106 -4.909 -8.985 -12.806 822 HA LEU 106 HA LEU 106 -3.308 -8.770 -10.344 823 HB2 LEU 106 2HB LEU 106 -1.961 -8.718 -12.386 824 HB3 LEU 106 3HB LEU 106 -2.947 -7.420 -13.027 825 HG LEU 106 HG LEU 106 -2.149 -5.948 -11.193 826 HD11 LEU 106 1HD1 LEU 106 -0.283 -8.239 -10.585 827 HD12 LEU 106 2HD1 LEU 106 -1.606 -7.684 -9.559 828 HD13 LEU 106 3HD1 LEU 106 -0.226 -6.630 -9.864 829 HD21 LEU 106 3HD2 LEU 106 0.102 -5.631 -12.107 830 HD22 LEU 106 1HD2 LEU 106 -1.088 -5.897 -13.380 831 HD23 LEU 106 2HD2 LEU 106 -0.004 -7.202 -12.902 832 H GLN 107 H GLN 107 -4.087 -7.367 -8.888 833 HA GLN 107 HA GLN 107 -5.862 -5.215 -9.853 834 HB2 GLN 107 2HB GLN 107 -6.818 -7.196 -8.407 835 HB3 GLN 107 3HB GLN 107 -6.061 -6.342 -7.073 836 HG2 GLN 107 2HG GLN 107 -8.031 -5.048 -8.938 837 HG3 GLN 107 3HG GLN 107 -8.511 -5.887 -7.468 838 HE21 GLN 107 1HE2 GLN 107 -6.181 -4.977 -5.963 839 HE22 GLN 107 2HE2 GLN 107 -6.455 -3.308 -5.621 840 H GLN 108 H GLN 108 -4.893 -3.328 -9.669 841 HA GLN 108 HA GLN 108 -2.812 -3.056 -7.606 842 HB2 GLN 108 2HB GLN 108 -1.658 -1.534 -9.128 843 HB3 GLN 108 3HB GLN 108 -1.921 -3.098 -9.886 844 HG2 GLN 108 2HG GLN 108 -4.001 -2.029 -10.927 845 HG3 GLN 108 3HG GLN 108 -3.292 -0.493 -10.434 846 HE21 GLN 108 1HE2 GLN 108 -2.931 0.259 -12.473 847 HE22 GLN 108 2HE2 GLN 108 -1.774 -0.434 -13.554 848 H LEU 109 H LEU 109 -2.897 -1.406 -6.232 849 HA LEU 109 HA LEU 109 -4.999 0.619 -6.646 850 HB2 LEU 109 2HB LEU 109 -3.901 -0.517 -4.072 851 HB3 LEU 109 3HB LEU 109 -4.991 0.854 -4.154 852 HG LEU 109 HG LEU 109 -5.629 -1.952 -5.071 853 HD11 LEU 109 1HD1 LEU 109 -7.164 -1.965 -3.157 854 HD12 LEU 109 2HD1 LEU 109 -6.545 -0.389 -2.662 855 HD13 LEU 109 3HD1 LEU 109 -5.483 -1.796 -2.656 856 HD21 LEU 109 3HD2 LEU 109 -6.779 -0.249 -6.396 857 HD22 LEU 109 1HD2 LEU 109 -7.372 0.508 -4.919 858 HD23 LEU 109 2HD2 LEU 109 -7.907 -1.116 -5.353 859 H THR 110 H THR 110 -4.148 2.473 -7.259 860 HA THR 110 HA THR 110 -1.441 3.170 -6.434 861 HB THR 110 HB THR 110 -2.092 3.481 -8.805 862 HG1 THR 110 HG1 THR 110 -0.462 4.815 -8.264 863 HG21 THR 110 3HG2 THR 110 -3.562 5.378 -9.408 864 HG22 THR 110 1HG2 THR 110 -3.977 5.569 -7.705 865 HG23 THR 110 2HG2 THR 110 -4.422 4.092 -8.561 866 H TYR 111 H TYR 111 -0.946 4.846 -5.091 867 HA TYR 111 HA TYR 111 -3.201 6.359 -3.964 868 HB2 TYR 111 2HB TYR 111 -0.918 5.070 -2.465 869 HB3 TYR 111 3HB TYR 111 -1.935 6.326 -1.764 870 HD1 TYR 111 HD1 TYR 111 -4.422 5.895 -1.581 871 HD2 TYR 111 HD2 TYR 111 -1.620 2.817 -2.469 872 HE1 TYR 111 HE1 TYR 111 -6.081 4.208 -0.919 873 HE2 TYR 111 HE2 TYR 111 -3.272 1.117 -1.810 874 HH TYR 111 HH TYR 111 -6.553 1.820 -1.367 875 H ASP 112 H ASP 112 -3.004 8.433 -4.204 876 HA ASP 112 HA ASP 112 -0.409 9.561 -4.937 877 HB2 ASP 112 2HB ASP 112 -3.222 10.645 -5.128 878 HB3 ASP 112 3HB ASP 112 -1.792 11.613 -5.468 879 H PHE 113 H PHE 113 0.775 10.597 -3.522 880 HA PHE 113 HA PHE 113 -0.567 11.941 -1.266 881 HB2 PHE 113 2HB PHE 113 2.173 10.656 -1.335 882 HB3 PHE 113 3HB PHE 113 1.536 11.591 0.010 883 HD1 PHE 113 HD1 PHE 113 -0.332 10.709 1.348 884 HD2 PHE 113 HD2 PHE 113 1.550 8.391 -1.683 885 HE1 PHE 113 HE1 PHE 113 -1.306 8.664 2.312 886 HE2 PHE 113 HE2 PHE 113 0.576 6.344 -0.730 887 HZ PHE 113 HZ PHE 113 -0.854 6.476 1.270 888 H ASN 114 H ASN 114 -0.224 14.062 -1.105 889 HA ASN 114 HA ASN 114 0.867 16.057 -1.035 890 HB2 ASN 114 2HB ASN 114 2.943 14.700 -0.663 891 HB3 ASN 114 3HB ASN 114 3.204 14.716 -2.402 892 HD21 ASN 114 1HD2 ASN 114 3.208 16.577 0.513 893 HD22 ASN 114 2HD2 ASN 114 4.033 17.959 -0.122 894 H GLY 115 H GLY 115 0.341 14.306 -3.920 895 HA2 GLY 115 2HA GLY 115 0.679 16.768 -5.518 896 HA3 GLY 115 3HA GLY 115 0.862 15.145 -6.164 897 H LYS 116 H LYS 116 -0.795 17.114 -7.282 898 HA LYS 116 HA LYS 116 -2.879 17.519 -8.050 899 HB2 LYS 116 2HB LYS 116 -3.095 14.575 -7.436 900 HB3 LYS 116 3HB LYS 116 -4.377 15.471 -8.243 901 HG2 LYS 116 2HG LYS 116 -3.031 15.923 -10.121 902 HG3 LYS 116 3HG LYS 116 -1.558 15.444 -9.278 903 HD2 LYS 116 2HD LYS 116 -3.820 13.590 -10.021 904 HD3 LYS 116 3HD LYS 116 -2.310 13.764 -10.919 905 HE2 LYS 116 2HE LYS 116 -1.107 13.146 -8.787 906 HE3 LYS 116 3HE LYS 116 -2.681 12.727 -8.117 907 HZ1 LYS 116 3HZ LYS 116 -2.956 11.104 -9.909 908 HZ2 LYS 116 1HZ LYS 116 -1.578 10.782 -8.975 909 HZ3 LYS 116 2HZ LYS 116 -1.415 11.494 -10.507 910 H LEU 117 H LEU 117 -3.208 18.960 -6.276 911 HA LEU 117 HA LEU 117 -5.131 17.933 -4.303 912 HB2 LEU 117 2HB LEU 117 -2.903 19.917 -3.899 913 HB3 LEU 117 3HB LEU 117 -4.190 19.654 -2.736 914 HG LEU 117 HG LEU 117 -2.190 17.582 -3.641 915 HD11 LEU 117 1HD1 LEU 117 -1.208 19.310 -2.227 916 HD12 LEU 117 2HD1 LEU 117 -1.310 17.767 -1.379 917 HD13 LEU 117 3HD1 LEU 117 -2.468 19.048 -1.022 918 HD21 LEU 117 3HD2 LEU 117 -4.373 17.445 -1.566 919 HD22 LEU 117 1HD2 LEU 117 -3.165 16.199 -1.876 920 HD23 LEU 117 2HD2 LEU 117 -4.352 16.601 -3.115 921 H GLU 118 H GLU 118 -6.939 18.628 -5.383 922 HA GLU 118 HA GLU 118 -7.373 21.524 -5.091 923 HB2 GLU 118 2HB GLU 118 -8.779 19.622 -6.986 924 HB3 GLU 118 3HB GLU 118 -9.221 21.305 -6.738 925 HG2 GLU 118 2HG GLU 118 -6.936 21.938 -7.519 926 HG3 GLU 118 3HG GLU 118 -6.671 20.245 -7.927 927 H HIS 119 H HIS 119 -9.877 21.874 -4.638 928 HA HIS 119 HA HIS 119 -10.186 20.563 -2.101 929 HB2 HIS 119 2HB HIS 119 -11.952 22.585 -3.491 930 HB3 HIS 119 3HB HIS 119 -12.187 22.015 -1.842 931 HD1 HIS 119 HD1 HIS 119 -10.930 24.828 -3.470 932 HD2 HIS 119 HD2 HIS 119 -9.478 22.439 -0.392 933 HE1 HIS 119 HE1 HIS 119 -9.226 26.232 -2.265 934 HE2 HIS 119 HE2 HIS 119 -8.536 24.838 -0.279 935 H HIS 120 H HIS 120 -10.540 18.423 -2.553 936 HA HIS 120 HA HIS 120 -11.777 16.538 -2.743 937 HB2 HIS 120 2HB HIS 120 -13.359 18.031 -1.345 938 HB3 HIS 120 3HB HIS 120 -14.279 18.211 -2.835 939 HD1 HIS 120 HD1 HIS 120 -16.025 16.467 -3.230 940 HD2 HIS 120 HD2 HIS 120 -13.079 15.178 -0.583 941 HE1 HIS 120 HE1 HIS 120 -16.784 14.216 -2.405 942 HE2 HIS 120 HE2 HIS 120 -15.031 13.487 -0.743 943 H HIS 121 H HIS 121 -10.978 18.149 -5.115 944 HA HIS 121 HA HIS 121 -12.439 16.631 -7.098 945 HB2 HIS 121 2HB HIS 121 -12.485 19.654 -7.032 946 HB3 HIS 121 3HB HIS 121 -12.738 18.747 -8.513 947 HD1 HIS 121 HD1 HIS 121 -14.861 17.010 -8.368 948 HD2 HIS 121 HD2 HIS 121 -14.757 20.162 -5.657 949 HE1 HIS 121 HE1 HIS 121 -17.227 17.289 -7.559 950 HE2 HIS 121 HE2 HIS 121 -17.166 19.297 -6.044 951 H HIS 122 H HIS 122 -11.451 17.041 -9.301 952 HA HIS 122 HA HIS 122 -9.042 18.604 -9.380 953 HB2 HIS 122 2HB HIS 122 -7.559 16.888 -10.246 954 HB3 HIS 122 3HB HIS 122 -8.143 16.404 -8.664 955 HD1 HIS 122 HD1 HIS 122 -8.897 14.046 -8.515 956 HD2 HIS 122 HD2 HIS 122 -9.022 15.478 -12.420 957 HE1 HIS 122 HE1 HIS 122 -9.535 12.076 -9.945 958 HE2 HIS 122 HE2 HIS 122 -9.362 12.920 -12.322 959 H HIS 123 H HIS 123 -8.853 19.575 -11.316 960 HA HIS 123 HA HIS 123 -10.577 18.539 -13.478 961 HB2 HIS 123 2HB HIS 123 -11.509 20.628 -13.922 962 HB3 HIS 123 3HB HIS 123 -11.468 20.591 -12.170 963 HD1 HIS 123 HD1 HIS 123 -9.410 22.026 -11.062 964 HD2 HIS 123 HD2 HIS 123 -10.297 22.750 -15.065 965 HE1 HIS 123 HE1 HIS 123 -8.337 24.231 -11.618 966 HE2 HIS 123 HE2 HIS 123 -8.733 24.554 -14.082 967 H HIS 124 H HIS 124 -10.012 19.978 -15.574 968 HA HIS 124 HA HIS 124 -7.073 19.838 -15.810 969 HB2 HIS 124 2HB HIS 124 -9.070 19.493 -18.055 970 HB3 HIS 124 3HB HIS 124 -7.337 19.196 -18.117 971 HD1 HIS 124 HD1 HIS 124 -6.725 17.288 -15.993 972 HD2 HIS 124 HD2 HIS 124 -10.363 17.152 -18.007 973 HE1 HIS 124 HE1 HIS 124 -7.601 14.952 -15.662 974 HE2 HIS 124 HE2 HIS 124 -9.693 14.835 -17.070 Start of MODEL 6 1 H1 MET 1 1H MET 1 -13.233 -19.610 18.349 2 H2 MET 1 2H MET 1 -13.716 -18.585 17.090 3 H3 MET 1 3H MET 1 -12.336 -18.216 18.002 4 HA MET 1 HA MET 1 -11.212 -20.167 17.177 5 HB2 MET 1 2HB MET 1 -12.195 -21.514 15.411 6 HB3 MET 1 3HB MET 1 -13.247 -21.533 16.818 7 HG2 MET 1 2HG MET 1 -14.622 -19.768 15.709 8 HG3 MET 1 3HG MET 1 -13.626 -19.980 14.273 9 HE1 MET 1 3HE MET 1 -16.334 -23.272 16.041 10 HE2 MET 1 1HE MET 1 -16.190 -21.649 16.716 11 HE3 MET 1 2HE MET 1 -14.826 -22.762 16.802 12 H ASN 2 H ASN 2 -10.121 -20.171 15.019 13 HA ASN 2 HA ASN 2 -9.798 -17.428 14.200 14 HB2 ASN 2 2HB ASN 2 -7.888 -19.037 14.452 15 HB3 ASN 2 3HB ASN 2 -8.485 -19.890 13.033 16 HD21 ASN 2 1HD2 ASN 2 -6.753 -19.515 11.734 17 HD22 ASN 2 2HD2 ASN 2 -6.310 -17.940 11.160 18 H GLU 3 H GLU 3 -9.912 -16.663 12.027 19 HA GLU 3 HA GLU 3 -11.840 -18.128 10.347 20 HB2 GLU 3 2HB GLU 3 -11.569 -15.136 10.716 21 HB3 GLU 3 3HB GLU 3 -12.642 -15.918 9.562 22 HG2 GLU 3 2HG GLU 3 -13.896 -16.929 11.358 23 HG3 GLU 3 3HG GLU 3 -12.781 -16.260 12.548 24 H LEU 4 H LEU 4 -11.738 -16.750 8.059 25 HA LEU 4 HA LEU 4 -10.606 -16.481 6.121 26 HB2 LEU 4 2HB LEU 4 -8.619 -15.400 8.095 27 HB3 LEU 4 3HB LEU 4 -8.257 -15.446 6.381 28 HG LEU 4 HG LEU 4 -9.022 -13.256 6.910 29 HD11 LEU 4 1HD1 LEU 4 -11.015 -13.051 5.490 30 HD12 LEU 4 2HD1 LEU 4 -11.209 -14.804 5.546 31 HD13 LEU 4 3HD1 LEU 4 -9.782 -14.099 4.784 32 HD21 LEU 4 3HD2 LEU 4 -11.210 -12.795 7.898 33 HD22 LEU 4 1HD2 LEU 4 -10.178 -13.713 8.995 34 HD23 LEU 4 2HD2 LEU 4 -11.471 -14.526 8.115 35 H ASP 5 H ASP 5 -10.474 -19.088 7.369 36 HA ASP 5 HA ASP 5 -7.838 -20.100 6.758 37 HB2 ASP 5 2HB ASP 5 -9.097 -21.144 8.563 38 HB3 ASP 5 3HB ASP 5 -10.404 -21.546 7.453 39 H ILE 6 H ILE 6 -10.964 -19.908 5.230 40 HA ILE 6 HA ILE 6 -10.235 -21.569 3.005 41 HB ILE 6 HB ILE 6 -12.373 -20.562 1.983 42 HG12 ILE 6 2HG1 ILE 6 -14.001 -19.754 3.729 43 HG13 ILE 6 3HG1 ILE 6 -12.650 -19.578 4.836 44 HG21 ILE 6 1HG2 ILE 6 -12.251 -22.804 2.849 45 HG22 ILE 6 2HG2 ILE 6 -13.782 -22.066 3.320 46 HG23 ILE 6 3HG2 ILE 6 -12.477 -22.211 4.497 47 HD11 ILE 6 3HD1 ILE 6 -11.650 -17.924 3.337 48 HD12 ILE 6 1HD1 ILE 6 -13.270 -17.452 3.855 49 HD13 ILE 6 2HD1 ILE 6 -13.016 -18.103 2.236 50 H GLN 7 H GLN 7 -10.653 -20.543 0.717 51 HA GLN 7 HA GLN 7 -8.985 -18.128 0.628 52 HB2 GLN 7 2HB GLN 7 -9.159 -20.342 -1.419 53 HB3 GLN 7 3HB GLN 7 -8.193 -18.883 -1.581 54 HG2 GLN 7 2HG GLN 7 -6.525 -20.005 -0.661 55 HG3 GLN 7 3HG GLN 7 -7.415 -19.926 0.858 56 HE21 GLN 7 1HE2 GLN 7 -9.535 -21.703 -0.305 57 HE22 GLN 7 2HE2 GLN 7 -8.856 -23.289 -0.226 58 H GLN 8 H GLN 8 -9.267 -16.883 -1.438 59 HA GLN 8 HA GLN 8 -12.146 -16.481 -1.825 60 HB2 GLN 8 2HB GLN 8 -11.106 -14.606 -0.770 61 HB3 GLN 8 3HB GLN 8 -9.783 -14.605 -1.921 62 HG2 GLN 8 2HG GLN 8 -12.534 -14.142 -2.938 63 HG3 GLN 8 3HG GLN 8 -11.743 -12.854 -2.035 64 HE21 GLN 8 1HE2 GLN 8 -9.761 -12.010 -2.844 65 HE22 GLN 8 2HE2 GLN 8 -9.390 -12.108 -4.529 66 H GLU 9 H GLU 9 -13.000 -16.763 -3.759 67 HA GLU 9 HA GLU 9 -11.281 -16.576 -6.134 68 HB2 GLU 9 2HB GLU 9 -11.825 -18.972 -5.437 69 HB3 GLU 9 3HB GLU 9 -13.494 -18.609 -5.855 70 HG2 GLU 9 2HG GLU 9 -12.826 -18.127 -8.147 71 HG3 GLU 9 3HG GLU 9 -11.145 -18.466 -7.731 72 H TYR 10 H TYR 10 -14.227 -15.964 -4.523 73 HA TYR 10 HA TYR 10 -15.445 -14.791 -6.919 74 HB2 TYR 10 2HB TYR 10 -16.475 -16.323 -4.692 75 HB3 TYR 10 3HB TYR 10 -17.296 -14.769 -4.795 76 HD1 TYR 10 HD1 TYR 10 -16.093 -17.320 -7.270 77 HD2 TYR 10 HD2 TYR 10 -19.303 -14.882 -5.902 78 HE1 TYR 10 HE1 TYR 10 -17.518 -18.189 -9.076 79 HE2 TYR 10 HE2 TYR 10 -20.732 -15.745 -7.703 80 HH TYR 10 HH TYR 10 -20.521 -16.760 -9.887 81 HA PRO 11 HA PRO 11 -15.590 -10.446 -5.912 82 HB2 PRO 11 2HB PRO 11 -18.091 -11.003 -4.369 83 HB3 PRO 11 3HB PRO 11 -17.726 -9.674 -5.475 84 HG2 PRO 11 2HG PRO 11 -19.120 -11.941 -6.176 85 HG3 PRO 11 3HG PRO 11 -18.252 -10.901 -7.316 86 HD2 PRO 11 2HD PRO 11 -17.666 -13.613 -6.602 87 HD3 PRO 11 3HD PRO 11 -16.771 -12.560 -7.714 88 H PHE 12 H PHE 12 -14.484 -9.367 -4.480 89 HA PHE 12 HA PHE 12 -14.664 -10.051 -1.641 90 HB2 PHE 12 2HB PHE 12 -12.208 -9.840 -1.440 91 HB3 PHE 12 3HB PHE 12 -12.672 -11.181 -2.479 92 HD1 PHE 12 HD1 PHE 12 -12.670 -10.696 -5.038 93 HD2 PHE 12 HD2 PHE 12 -10.639 -8.316 -2.152 94 HE1 PHE 12 HE1 PHE 12 -11.187 -9.835 -6.797 95 HE2 PHE 12 HE2 PHE 12 -9.158 -7.444 -3.914 96 HZ PHE 12 HZ PHE 12 -9.428 -8.207 -6.239 97 H THR 13 H THR 13 -14.386 -8.321 -0.248 98 HA THR 13 HA THR 13 -14.672 -5.715 -1.528 99 HB THR 13 HB THR 13 -15.003 -6.517 1.371 100 HG1 THR 13 HG1 THR 13 -16.990 -7.021 0.844 101 HG21 THR 13 3HG2 THR 13 -15.801 -3.959 -0.031 102 HG22 THR 13 1HG2 THR 13 -14.444 -4.133 1.086 103 HG23 THR 13 2HG2 THR 13 -16.095 -4.361 1.659 104 H VAL 14 H VAL 14 -13.083 -4.291 -1.601 105 HA VAL 14 HA VAL 14 -10.724 -4.701 0.106 106 HB VAL 14 HB VAL 14 -10.944 -3.066 -2.435 107 HG11 VAL 14 1HG1 VAL 14 -9.241 -2.215 -0.920 108 HG12 VAL 14 2HG1 VAL 14 -8.493 -2.986 -2.320 109 HG13 VAL 14 3HG1 VAL 14 -8.544 -3.828 -0.772 110 HG21 VAL 14 3HG2 VAL 14 -9.682 -5.764 -1.982 111 HG22 VAL 14 1HG2 VAL 14 -9.622 -4.833 -3.480 112 HG23 VAL 14 2HG2 VAL 14 -11.163 -5.451 -2.886 113 H GLU 15 H GLU 15 -10.663 -3.420 1.823 114 HA GLU 15 HA GLU 15 -12.096 -0.862 1.718 115 HB2 GLU 15 2HB GLU 15 -11.065 -2.434 4.090 116 HB3 GLU 15 3HB GLU 15 -12.006 -0.950 4.173 117 HG2 GLU 15 2HG GLU 15 -13.934 -2.012 3.308 118 HG3 GLU 15 3HG GLU 15 -13.016 -3.443 2.841 119 H SER 16 H SER 16 -10.993 0.955 1.601 120 HA SER 16 HA SER 16 -8.158 0.952 2.393 121 HB2 SER 16 2HB SER 16 -9.370 2.405 0.024 122 HB3 SER 16 3HB SER 16 -7.675 2.444 0.514 123 HG SER 16 HG SER 16 -8.343 -0.092 0.300 124 H MET 17 H MET 17 -7.698 2.385 3.888 125 HA MET 17 HA MET 17 -9.664 4.374 4.656 126 HB2 MET 17 2HB MET 17 -7.051 3.458 5.854 127 HB3 MET 17 3HB MET 17 -7.950 4.826 6.495 128 HG2 MET 17 2HG MET 17 -9.076 2.052 6.220 129 HG3 MET 17 3HG MET 17 -8.332 2.685 7.691 130 HE1 MET 17 3HE MET 17 -9.278 5.723 7.636 131 HE2 MET 17 1HE MET 17 -9.286 4.709 9.080 132 HE3 MET 17 2HE MET 17 -10.728 5.621 8.633 133 HA PRO 18 HA PRO 18 -7.567 7.823 2.681 134 HB2 PRO 18 2HB PRO 18 -8.686 9.429 4.894 135 HB3 PRO 18 3HB PRO 18 -8.935 9.597 3.154 136 HG2 PRO 18 2HG PRO 18 -10.875 8.677 4.749 137 HG3 PRO 18 3HG PRO 18 -10.640 8.033 3.112 138 HD2 PRO 18 2HD PRO 18 -9.813 6.863 5.749 139 HD3 PRO 18 3HD PRO 18 -10.535 6.059 4.339 140 H VAL 19 H VAL 19 -5.440 7.440 3.107 141 HA VAL 19 HA VAL 19 -4.486 7.300 5.812 142 HB VAL 19 HB VAL 19 -2.308 6.716 4.767 143 HG11 VAL 19 1HG1 VAL 19 -3.868 4.956 5.301 144 HG12 VAL 19 2HG1 VAL 19 -3.086 4.592 3.760 145 HG13 VAL 19 3HG1 VAL 19 -4.734 5.218 3.788 146 HG21 VAL 19 3HG2 VAL 19 -2.604 8.074 2.717 147 HG22 VAL 19 1HG2 VAL 19 -3.814 6.921 2.163 148 HG23 VAL 19 2HG2 VAL 19 -2.141 6.402 2.382 149 H ALA 20 H ALA 20 -4.119 9.517 3.090 150 HA ALA 20 HA ALA 20 -3.378 11.678 4.776 151 HB1 ALA 20 3HB ALA 20 -1.089 12.020 4.020 152 HB2 ALA 20 1HB ALA 20 -1.159 10.522 3.093 153 HB3 ALA 20 2HB ALA 20 -1.247 10.472 4.853 154 H ASP 21 H ASP 21 -4.418 13.266 3.764 155 HA ASP 21 HA ASP 21 -4.691 13.392 0.917 156 HB2 ASP 21 2HB ASP 21 -5.741 15.561 1.311 157 HB3 ASP 21 3HB ASP 21 -6.371 14.373 2.446 158 H GLU 22 H GLU 22 -2.513 14.633 3.318 159 HA GLU 22 HA GLU 22 -0.520 14.921 1.267 160 HB2 GLU 22 2HB GLU 22 0.144 17.157 1.707 161 HB3 GLU 22 3HB GLU 22 -1.594 17.218 1.485 162 HG2 GLU 22 2HG GLU 22 -1.385 18.567 3.295 163 HG3 GLU 22 3HG GLU 22 -1.600 17.018 4.110 164 H ILE 23 H ILE 23 1.661 15.065 2.264 165 HA ILE 23 HA ILE 23 1.632 14.010 5.006 166 HB ILE 23 HB ILE 23 1.895 12.143 3.419 167 HG12 ILE 23 2HG1 ILE 23 4.519 12.608 4.822 168 HG13 ILE 23 3HG1 ILE 23 3.034 12.263 5.705 169 HG21 ILE 23 1HG2 ILE 23 4.446 13.511 2.573 170 HG22 ILE 23 2HG2 ILE 23 2.990 13.349 1.593 171 HG23 ILE 23 3HG2 ILE 23 3.899 11.914 2.059 172 HD11 ILE 23 3HD1 ILE 23 4.283 10.482 3.628 173 HD12 ILE 23 1HD1 ILE 23 2.835 10.134 4.571 174 HD13 ILE 23 2HD1 ILE 23 4.399 10.269 5.375 175 H ALA 24 H ALA 24 3.191 14.748 6.342 176 HA ALA 24 HA ALA 24 4.561 17.139 5.482 177 HB1 ALA 24 3HB ALA 24 3.338 17.129 7.577 178 HB2 ALA 24 1HB ALA 24 5.053 17.430 7.865 179 HB3 ALA 24 2HB ALA 24 4.369 15.838 8.193 180 H GLY 25 H GLY 25 5.602 14.606 4.454 181 HA2 GLY 25 2HA GLY 25 7.700 13.795 3.954 182 HA3 GLY 25 3HA GLY 25 8.373 15.075 4.951 183 H ASP 26 H ASP 26 8.374 14.739 7.288 184 HA ASP 26 HA ASP 26 9.516 12.232 7.941 185 HB2 ASP 26 2HB ASP 26 8.578 14.490 9.713 186 HB3 ASP 26 3HB ASP 26 9.469 13.091 10.294 187 H GLU 27 H GLU 27 6.302 13.199 7.754 188 HA GLU 27 HA GLU 27 5.154 11.781 9.889 189 HB2 GLU 27 2HB GLU 27 4.161 12.951 7.355 190 HB3 GLU 27 3HB GLU 27 3.151 11.732 8.121 191 HG2 GLU 27 2HG GLU 27 4.160 14.234 9.450 192 HG3 GLU 27 3HG GLU 27 2.552 14.007 8.766 193 H THR 28 H THR 28 4.056 9.878 9.955 194 HA THR 28 HA THR 28 4.655 7.925 7.839 195 HB THR 28 HB THR 28 4.619 7.387 10.818 196 HG1 THR 28 HG1 THR 28 6.534 8.403 9.433 197 HG21 THR 28 3HG2 THR 28 5.162 5.546 8.483 198 HG22 THR 28 1HG2 THR 28 3.772 5.479 9.567 199 HG23 THR 28 2HG2 THR 28 5.388 5.128 10.181 200 H VAL 29 H VAL 29 2.848 7.294 6.927 201 HA VAL 29 HA VAL 29 0.348 7.745 8.380 202 HB VAL 29 HB VAL 29 -0.712 7.579 6.098 203 HG11 VAL 29 1HG1 VAL 29 1.366 9.726 6.512 204 HG12 VAL 29 2HG1 VAL 29 -0.254 9.707 7.208 205 HG13 VAL 29 3HG1 VAL 29 -0.047 9.840 5.462 206 HG21 VAL 29 3HG2 VAL 29 0.743 7.890 4.152 207 HG22 VAL 29 1HG2 VAL 29 1.077 6.359 4.960 208 HG23 VAL 29 2HG2 VAL 29 2.165 7.730 5.184 209 H GLU 30 H GLU 30 -1.103 6.211 8.749 210 HA GLU 30 HA GLU 30 -0.236 3.473 8.565 211 HB2 GLU 30 2HB GLU 30 -1.377 4.332 10.581 212 HB3 GLU 30 3HB GLU 30 -2.815 4.652 9.623 213 HG2 GLU 30 2HG GLU 30 -2.819 2.165 9.086 214 HG3 GLU 30 3HG GLU 30 -1.631 2.004 10.380 215 H ILE 31 H ILE 31 -0.305 2.799 6.472 216 HA ILE 31 HA ILE 31 -2.682 3.186 4.872 217 HB ILE 31 HB ILE 31 -0.285 1.421 4.335 218 HG12 ILE 31 2HG1 ILE 31 -0.910 4.217 3.353 219 HG13 ILE 31 3HG1 ILE 31 0.324 3.798 4.537 220 HG21 ILE 31 1HG2 ILE 31 -1.063 1.490 1.991 221 HG22 ILE 31 2HG2 ILE 31 -2.498 2.371 2.518 222 HG23 ILE 31 3HG2 ILE 31 -2.228 0.719 3.070 223 HD11 ILE 31 3HD1 ILE 31 0.282 2.928 1.660 224 HD12 ILE 31 1HD1 ILE 31 1.522 2.520 2.848 225 HD13 ILE 31 2HD1 ILE 31 1.293 4.197 2.351 226 H ARG 32 H ARG 32 -4.375 2.172 5.709 227 HA ARG 32 HA ARG 32 -4.009 -0.528 6.776 228 HB2 ARG 32 2HB ARG 32 -4.943 1.162 8.300 229 HB3 ARG 32 3HB ARG 32 -6.264 1.442 7.174 230 HG2 ARG 32 2HG ARG 32 -7.078 -0.806 7.512 231 HG3 ARG 32 3HG ARG 32 -5.704 -1.170 8.560 232 HD2 ARG 32 2HD ARG 32 -6.452 0.594 10.106 233 HD3 ARG 32 3HD ARG 32 -7.851 0.886 9.072 234 HE ARG 32 HE ARG 32 -8.550 -1.426 9.583 235 HH11 ARG 32 1HH1 ARG 32 -6.251 0.154 11.702 236 HH12 ARG 32 2HH1 ARG 32 -6.658 -0.821 13.082 237 HH21 ARG 32 1HH2 ARG 32 -9.108 -2.682 11.365 238 HH22 ARG 32 2HH2 ARG 32 -8.313 -2.432 12.896 239 H LEU 33 H LEU 33 -4.435 -2.067 5.363 240 HA LEU 33 HA LEU 33 -6.775 -1.718 3.618 241 HB2 LEU 33 2HB LEU 33 -4.340 -3.460 3.281 242 HB3 LEU 33 3HB LEU 33 -5.780 -3.618 2.297 243 HG LEU 33 HG LEU 33 -3.822 -1.346 2.365 244 HD11 LEU 33 1HD1 LEU 33 -3.270 -3.215 0.934 245 HD12 LEU 33 2HD1 LEU 33 -3.715 -1.811 -0.037 246 HD13 LEU 33 3HD1 LEU 33 -4.864 -3.130 0.184 247 HD21 LEU 33 3HD2 LEU 33 -6.522 -1.377 1.026 248 HD22 LEU 33 1HD2 LEU 33 -5.291 -0.127 0.849 249 HD23 LEU 33 2HD2 LEU 33 -6.071 -0.384 2.411 250 H GLU 34 H GLU 34 -8.439 -2.969 3.917 251 HA GLU 34 HA GLU 34 -8.067 -5.510 5.318 252 HB2 GLU 34 2HB GLU 34 -10.201 -3.458 5.924 253 HB3 GLU 34 3HB GLU 34 -10.279 -5.131 6.467 254 HG2 GLU 34 2HG GLU 34 -8.037 -4.733 7.567 255 HG3 GLU 34 3HG GLU 34 -8.288 -3.018 7.244 256 H ILE 35 H ILE 35 -8.570 -7.008 3.959 257 HA ILE 35 HA ILE 35 -10.598 -6.460 1.911 258 HB ILE 35 HB ILE 35 -8.294 -8.418 1.892 259 HG12 ILE 35 2HG1 ILE 35 -8.729 -5.930 0.223 260 HG13 ILE 35 3HG1 ILE 35 -7.759 -5.960 1.690 261 HG21 ILE 35 1HG2 ILE 35 -10.196 -9.293 0.653 262 HG22 ILE 35 2HG2 ILE 35 -8.896 -8.825 -0.443 263 HG23 ILE 35 3HG2 ILE 35 -10.311 -7.785 -0.261 264 HD11 ILE 35 3HD1 ILE 35 -7.216 -7.493 -0.838 265 HD12 ILE 35 1HD1 ILE 35 -6.264 -7.598 0.644 266 HD13 ILE 35 2HD1 ILE 35 -6.344 -6.077 -0.246 267 H LYS 36 H LYS 36 -12.486 -7.324 2.330 268 HA LYS 36 HA LYS 36 -12.611 -9.839 3.844 269 HB2 LYS 36 2HB LYS 36 -14.765 -7.766 3.367 270 HB3 LYS 36 3HB LYS 36 -14.970 -9.244 4.295 271 HG2 LYS 36 2HG LYS 36 -13.146 -8.404 5.818 272 HG3 LYS 36 3HG LYS 36 -13.276 -6.858 4.974 273 HD2 LYS 36 2HD LYS 36 -15.613 -6.677 5.607 274 HD3 LYS 36 3HD LYS 36 -15.555 -8.267 6.364 275 HE2 LYS 36 2HE LYS 36 -15.361 -6.779 8.151 276 HE3 LYS 36 3HE LYS 36 -13.706 -7.296 7.840 277 HZ1 LYS 36 3HZ LYS 36 -14.971 -4.716 7.118 278 HZ2 LYS 36 1HZ LYS 36 -13.488 -5.213 6.462 279 HZ3 LYS 36 2HZ LYS 36 -13.643 -4.980 8.137 280 HA PRO 37 HA PRO 37 -13.726 -11.487 -0.216 281 HB2 PRO 37 2HB PRO 37 -13.466 -14.092 0.502 282 HB3 PRO 37 3HB PRO 37 -12.092 -13.075 0.058 283 HG2 PRO 37 2HG PRO 37 -13.060 -13.874 2.768 284 HG3 PRO 37 3HG PRO 37 -11.400 -13.724 2.168 285 HD2 PRO 37 2HD PRO 37 -12.624 -11.836 3.711 286 HD3 PRO 37 3HD PRO 37 -11.337 -11.466 2.544 287 H SER 38 H SER 38 -15.782 -11.703 -0.845 288 HA SER 38 HA SER 38 -17.812 -12.408 1.108 289 HB2 SER 38 2HB SER 38 -18.119 -11.607 -1.796 290 HB3 SER 38 3HB SER 38 -19.400 -11.668 -0.585 291 HG SER 38 HG SER 38 -17.745 -10.139 0.550 292 H GLY 39 H GLY 39 -16.243 -13.762 -1.702 293 HA2 GLY 39 2HA GLY 39 -17.951 -16.160 -1.475 294 HA3 GLY 39 3HA GLY 39 -17.028 -15.717 -2.905 295 H ASN 40 H ASN 40 -17.062 -18.171 -1.147 296 HA ASN 40 HA ASN 40 -14.188 -18.177 -0.491 297 HB2 ASN 40 2HB ASN 40 -14.682 -19.734 1.383 298 HB3 ASN 40 3HB ASN 40 -15.390 -18.141 1.602 299 HD21 ASN 40 1HD2 ASN 40 -17.630 -17.897 1.427 300 HD22 ASN 40 2HD2 ASN 40 -18.701 -19.243 1.568 301 H PHE 41 H PHE 41 -13.074 -19.539 -1.640 302 HA PHE 41 HA PHE 41 -14.116 -22.145 -2.403 303 HB2 PHE 41 2HB PHE 41 -13.386 -20.005 -4.412 304 HB3 PHE 41 3HB PHE 41 -13.390 -21.714 -4.822 305 HD1 PHE 41 HD1 PHE 41 -15.583 -22.996 -4.425 306 HD2 PHE 41 HD2 PHE 41 -15.320 -18.755 -4.625 307 HE1 PHE 41 HE1 PHE 41 -17.981 -22.876 -4.954 308 HE2 PHE 41 HE2 PHE 41 -17.716 -18.629 -5.156 309 HZ PHE 41 HZ PHE 41 -19.050 -20.688 -5.321 310 H ILE 42 H ILE 42 -12.095 -22.764 -4.274 311 HA ILE 42 HA ILE 42 -9.788 -23.042 -2.588 312 HB ILE 42 HB ILE 42 -10.147 -23.702 -5.520 313 HG12 ILE 42 2HG1 ILE 42 -11.676 -24.969 -4.108 314 HG13 ILE 42 3HG1 ILE 42 -10.406 -26.029 -4.708 315 HG21 ILE 42 1HG2 ILE 42 -7.985 -24.562 -3.600 316 HG22 ILE 42 2HG2 ILE 42 -7.794 -23.420 -4.930 317 HG23 ILE 42 3HG2 ILE 42 -8.166 -25.109 -5.267 318 HD11 ILE 42 3HD1 ILE 42 -10.877 -26.506 -2.394 319 HD12 ILE 42 1HD1 ILE 42 -10.576 -24.823 -1.957 320 HD13 ILE 42 2HD1 ILE 42 -9.255 -25.829 -2.548 321 H GLY 43 H GLY 43 -10.579 -21.218 -5.530 322 HA2 GLY 43 2HA GLY 43 -9.857 -19.129 -6.153 323 HA3 GLY 43 3HA GLY 43 -8.997 -19.020 -4.627 324 H THR 44 H THR 44 -6.943 -18.643 -4.923 325 HA THR 44 HA THR 44 -5.219 -20.122 -6.599 326 HB THR 44 HB THR 44 -6.344 -18.988 -8.420 327 HG1 THR 44 HG1 THR 44 -4.574 -17.804 -9.308 328 HG21 THR 44 3HG2 THR 44 -6.439 -16.549 -8.590 329 HG22 THR 44 1HG2 THR 44 -5.716 -16.411 -6.987 330 HG23 THR 44 2HG2 THR 44 -7.312 -17.138 -7.173 331 H VAL 45 H VAL 45 -3.007 -18.937 -6.698 332 HA VAL 45 HA VAL 45 -2.499 -18.009 -4.007 333 HB VAL 45 HB VAL 45 -0.536 -18.373 -6.276 334 HG11 VAL 45 1HG1 VAL 45 -0.068 -18.108 -3.306 335 HG12 VAL 45 2HG1 VAL 45 0.273 -16.868 -4.514 336 HG13 VAL 45 3HG1 VAL 45 1.169 -18.386 -4.530 337 HG21 VAL 45 3HG2 VAL 45 0.037 -20.493 -5.156 338 HG22 VAL 45 1HG2 VAL 45 -1.624 -20.473 -5.748 339 HG23 VAL 45 2HG2 VAL 45 -1.297 -20.237 -4.032 340 H TYR 46 H TYR 46 -2.941 -15.955 -3.564 341 HA TYR 46 HA TYR 46 -2.498 -13.887 -5.562 342 HB2 TYR 46 2HB TYR 46 -3.695 -13.782 -2.786 343 HB3 TYR 46 3HB TYR 46 -3.510 -12.377 -3.830 344 HD1 TYR 46 HD2 TYR 46 -4.736 -12.347 -6.039 345 HD2 TYR 46 HD1 TYR 46 -5.546 -15.229 -3.012 346 HE1 TYR 46 HE2 TYR 46 -6.897 -12.844 -7.096 347 HE2 TYR 46 HE1 TYR 46 -7.712 -15.735 -4.064 348 HH TYR 46 HH TYR 46 -9.312 -14.743 -5.567 349 H THR 47 H THR 47 -0.748 -12.699 -5.658 350 HA THR 47 HA THR 47 1.074 -12.642 -3.333 351 HB THR 47 HB THR 47 1.868 -12.368 -6.244 352 HG1 THR 47 HG1 THR 47 1.383 -14.602 -4.658 353 HG21 THR 47 3HG2 THR 47 4.118 -12.846 -5.400 354 HG22 THR 47 1HG2 THR 47 3.487 -12.946 -3.756 355 HG23 THR 47 2HG2 THR 47 3.446 -11.411 -4.625 356 H LEU 48 H LEU 48 2.153 -10.649 -2.924 357 HA LEU 48 HA LEU 48 0.752 -8.334 -4.085 358 HB2 LEU 48 2HB LEU 48 0.200 -8.647 -1.758 359 HB3 LEU 48 3HB LEU 48 1.895 -8.733 -1.322 360 HG LEU 48 HG LEU 48 2.194 -6.382 -1.847 361 HD11 LEU 48 1HD1 LEU 48 -0.720 -6.422 -2.622 362 HD12 LEU 48 2HD1 LEU 48 0.646 -6.192 -3.714 363 HD13 LEU 48 3HD1 LEU 48 0.287 -4.980 -2.484 364 HD21 LEU 48 3HD2 LEU 48 0.728 -5.424 -0.126 365 HD22 LEU 48 1HD2 LEU 48 1.441 -6.956 0.388 366 HD23 LEU 48 2HD2 LEU 48 -0.240 -6.899 -0.146 367 H ARG 49 H ARG 49 1.962 -7.176 -5.387 368 HA ARG 49 HA ARG 49 4.875 -7.129 -4.952 369 HB2 ARG 49 2HB ARG 49 4.023 -8.009 -7.143 370 HB3 ARG 49 3HB ARG 49 3.352 -6.420 -7.468 371 HG2 ARG 49 2HG ARG 49 5.538 -5.438 -7.518 372 HG3 ARG 49 3HG ARG 49 6.271 -6.955 -6.992 373 HD2 ARG 49 2HD ARG 49 6.618 -6.855 -9.320 374 HD3 ARG 49 3HD ARG 49 5.303 -8.000 -9.079 375 HE ARG 49 HE ARG 49 4.996 -5.233 -10.059 376 HH11 ARG 49 1HH1 ARG 49 3.769 -8.515 -9.734 377 HH12 ARG 49 2HH1 ARG 49 2.535 -8.297 -10.924 378 HH21 ARG 49 1HH2 ARG 49 3.358 -4.955 -11.618 379 HH22 ARG 49 2HH2 ARG 49 2.300 -6.280 -12.000 380 H TYR 50 H TYR 50 5.880 -5.243 -4.508 381 HA TYR 50 HA TYR 50 4.171 -2.856 -4.260 382 HB2 TYR 50 2HB TYR 50 6.853 -3.379 -2.958 383 HB3 TYR 50 3HB TYR 50 5.750 -2.054 -2.610 384 HD1 TYR 50 HD1 TYR 50 6.367 -5.641 -2.173 385 HD2 TYR 50 HD2 TYR 50 3.831 -2.378 -1.192 386 HE1 TYR 50 HE1 TYR 50 5.365 -6.971 -0.369 387 HE2 TYR 50 HE2 TYR 50 2.815 -3.698 0.613 388 HH TYR 50 HH TYR 50 2.528 -6.039 1.261 389 H PHE 51 H PHE 51 4.756 -0.950 -5.267 390 HA PHE 51 HA PHE 51 7.442 -0.629 -6.300 391 HB2 PHE 51 2HB PHE 51 6.225 -1.833 -8.120 392 HB3 PHE 51 3HB PHE 51 5.078 -0.499 -8.185 393 HD1 PHE 51 HD2 PHE 51 8.783 -0.959 -8.227 394 HD2 PHE 51 HD1 PHE 51 5.389 0.996 -9.885 395 HE1 PHE 51 HE2 PHE 51 10.241 0.203 -9.831 396 HE2 PHE 51 HE1 PHE 51 6.842 2.165 -11.491 397 HZ PHE 51 HZ PHE 51 9.273 1.767 -11.465 398 H GLN 52 H GLN 52 8.026 1.513 -6.505 399 HA GLN 52 HA GLN 52 5.915 3.510 -6.043 400 HB2 GLN 52 2HB GLN 52 7.304 3.170 -4.009 401 HB3 GLN 52 3HB GLN 52 8.732 3.607 -4.939 402 HG2 GLN 52 2HG GLN 52 7.932 5.834 -5.249 403 HG3 GLN 52 3HG GLN 52 6.371 5.425 -4.542 404 HE21 GLN 52 1HE2 GLN 52 6.505 6.972 -2.964 405 HE22 GLN 52 2HE2 GLN 52 7.579 6.852 -1.619 406 HA PRO 53 HA PRO 53 7.751 4.511 -10.107 407 HB2 PRO 53 2HB PRO 53 5.341 6.237 -10.156 408 HB3 PRO 53 3HB PRO 53 5.914 5.069 -11.351 409 HG2 PRO 53 2HG PRO 53 3.803 4.524 -9.812 410 HG3 PRO 53 3HG PRO 53 4.978 3.265 -10.235 411 HD2 PRO 53 2HD PRO 53 4.678 4.796 -7.680 412 HD3 PRO 53 3HD PRO 53 5.045 3.076 -7.928 413 H ASP 54 H ASP 54 6.214 6.876 -7.935 414 HA ASP 54 HA ASP 54 8.409 8.732 -8.527 415 HB2 ASP 54 2HB ASP 54 5.459 9.300 -8.642 416 HB3 ASP 54 3HB ASP 54 6.609 10.585 -8.287 417 H GLY 55 H GLY 55 8.966 10.155 -6.869 418 HA2 GLY 55 2HA GLY 55 8.756 11.105 -4.716 419 HA3 GLY 55 3HA GLY 55 7.563 9.879 -4.313 420 H LYS 56 H LYS 56 8.989 9.891 -2.333 421 HA LYS 56 HA LYS 56 10.752 7.612 -2.512 422 HB2 LYS 56 2HB LYS 56 12.245 9.547 -2.989 423 HB3 LYS 56 3HB LYS 56 11.786 10.250 -1.444 424 HG2 LYS 56 2HG LYS 56 12.773 8.371 -0.273 425 HG3 LYS 56 3HG LYS 56 13.189 7.613 -1.811 426 HD2 LYS 56 2HD LYS 56 14.571 9.617 -2.344 427 HD3 LYS 56 3HD LYS 56 14.251 10.210 -0.713 428 HE2 LYS 56 2HE LYS 56 16.415 9.053 -0.880 429 HE3 LYS 56 3HE LYS 56 15.312 8.260 0.245 430 HZ1 LYS 56 3HZ LYS 56 16.439 6.659 -1.175 431 HZ2 LYS 56 1HZ LYS 56 15.816 7.418 -2.559 432 HZ3 LYS 56 2HZ LYS 56 14.772 6.647 -1.470 433 H GLY 57 H GLY 57 10.625 6.408 -0.685 434 HA2 GLY 57 2HA GLY 57 10.246 7.461 1.902 435 HA3 GLY 57 3HA GLY 57 8.694 6.951 1.252 436 H SER 58 H SER 58 9.149 5.619 3.332 437 HA SER 58 HA SER 58 10.243 3.049 2.414 438 HB2 SER 58 2HB SER 58 10.757 2.612 4.865 439 HB3 SER 58 3HB SER 58 11.777 3.805 4.065 440 HG SER 58 HG SER 58 10.258 5.404 4.972 441 H LEU 59 H LEU 59 8.637 1.691 2.095 442 HA LEU 59 HA LEU 59 6.208 1.894 3.694 443 HB2 LEU 59 2HB LEU 59 6.082 1.644 1.203 444 HB3 LEU 59 3HB LEU 59 6.799 0.053 1.370 445 HG LEU 59 HG LEU 59 4.865 -0.709 2.656 446 HD11 LEU 59 1HD1 LEU 59 4.264 1.401 3.716 447 HD12 LEU 59 2HD1 LEU 59 2.883 0.702 2.873 448 HD13 LEU 59 3HD1 LEU 59 3.762 2.053 2.157 449 HD21 LEU 59 3HD2 LEU 59 4.830 -1.002 0.257 450 HD22 LEU 59 1HD2 LEU 59 4.169 0.619 0.040 451 HD23 LEU 59 2HD2 LEU 59 3.208 -0.625 0.838 452 H LYS 60 H LYS 60 5.964 0.697 5.440 453 HA LYS 60 HA LYS 60 7.778 -1.598 5.778 454 HB2 LYS 60 2HB LYS 60 6.676 0.205 7.928 455 HB3 LYS 60 3HB LYS 60 7.872 -1.064 8.129 456 HG2 LYS 60 2HG LYS 60 9.549 0.181 7.108 457 HG3 LYS 60 3HG LYS 60 8.393 1.271 6.331 458 HD2 LYS 60 2HD LYS 60 7.781 2.198 8.482 459 HD3 LYS 60 3HD LYS 60 8.852 1.065 9.302 460 HE2 LYS 60 2HE LYS 60 10.780 2.093 8.250 461 HE3 LYS 60 3HE LYS 60 9.727 3.187 7.349 462 HZ1 LYS 60 3HZ LYS 60 10.747 4.150 9.397 463 HZ2 LYS 60 1HZ LYS 60 9.808 3.073 10.313 464 HZ3 LYS 60 2HZ LYS 60 9.056 4.244 9.345 465 H MET 61 H MET 61 6.955 -3.490 6.428 466 HA MET 61 HA MET 61 4.145 -3.931 6.655 467 HB2 MET 61 2HB MET 61 6.470 -5.700 7.470 468 HB3 MET 61 3HB MET 61 4.793 -6.214 7.389 469 HG2 MET 61 2HG MET 61 6.314 -5.167 5.023 470 HG3 MET 61 3HG MET 61 6.239 -6.873 5.455 471 HE1 MET 61 3HE MET 61 2.575 -7.848 4.817 472 HE2 MET 61 1HE MET 61 3.343 -7.471 6.361 473 HE3 MET 61 2HE MET 61 4.218 -8.400 5.143 474 H GLU 62 H GLU 62 3.250 -2.722 8.278 475 HA GLU 62 HA GLU 62 2.864 -1.796 10.313 476 HB2 GLU 62 2HB GLU 62 3.451 -4.667 10.971 477 HB3 GLU 62 3HB GLU 62 3.027 -3.518 12.236 478 HG2 GLU 62 2HG GLU 62 0.940 -3.003 11.056 479 HG3 GLU 62 3HG GLU 62 1.361 -4.176 9.816 480 H ASP 63 H ASP 63 5.465 -1.329 9.309 481 HA ASP 63 HA ASP 63 7.409 -0.325 9.892 482 HB2 ASP 63 2HB ASP 63 5.887 0.954 11.414 483 HB3 ASP 63 3HB ASP 63 6.255 -0.198 12.690 484 H GLY 64 H GLY 64 6.944 -3.301 10.270 485 HA2 GLY 64 2HA GLY 64 9.214 -3.787 12.090 486 HA3 GLY 64 3HA GLY 64 7.934 -4.948 11.779 487 H THR 65 H THR 65 8.495 -3.656 8.854 488 HA THR 65 HA THR 65 10.924 -5.042 8.152 489 HB THR 65 HB THR 65 8.288 -6.049 7.043 490 HG1 THR 65 HG1 THR 65 9.868 -6.846 9.149 491 HG21 THR 65 3HG2 THR 65 10.092 -6.054 5.375 492 HG22 THR 65 1HG2 THR 65 9.634 -7.691 5.842 493 HG23 THR 65 2HG2 THR 65 11.108 -6.970 6.488 494 H VAL 66 H VAL 66 11.866 -3.985 6.501 495 HA VAL 66 HA VAL 66 10.351 -1.918 5.111 496 HB VAL 66 HB VAL 66 13.287 -2.622 4.892 497 HG11 VAL 66 1HG1 VAL 66 13.523 -0.391 3.901 498 HG12 VAL 66 2HG1 VAL 66 11.773 -0.182 3.971 499 HG13 VAL 66 3HG1 VAL 66 12.471 -1.427 2.936 500 HG21 VAL 66 3HG2 VAL 66 11.931 -0.468 6.509 501 HG22 VAL 66 1HG2 VAL 66 13.672 -0.698 6.349 502 HG23 VAL 66 2HG2 VAL 66 12.691 -1.924 7.153 503 H LEU 67 H LEU 67 9.693 -2.030 3.043 504 HA LEU 67 HA LEU 67 10.038 -4.612 1.706 505 HB2 LEU 67 2HB LEU 67 8.035 -2.403 1.236 506 HB3 LEU 67 3HB LEU 67 8.039 -3.967 0.436 507 HG LEU 67 HG LEU 67 7.805 -3.699 3.428 508 HD11 LEU 67 1HD1 LEU 67 5.584 -3.837 1.395 509 HD12 LEU 67 2HD1 LEU 67 5.964 -2.464 2.437 510 HD13 LEU 67 3HD1 LEU 67 5.390 -3.975 3.142 511 HD21 LEU 67 3HD2 LEU 67 7.081 -5.904 1.498 512 HD22 LEU 67 1HD2 LEU 67 6.861 -5.946 3.247 513 HD23 LEU 67 2HD2 LEU 67 8.486 -5.883 2.562 514 H LYS 68 H LYS 68 10.680 -4.815 -0.417 515 HA LYS 68 HA LYS 68 12.138 -2.522 -1.511 516 HB2 LYS 68 2HB LYS 68 13.321 -4.682 -1.224 517 HB3 LYS 68 3HB LYS 68 12.185 -5.435 -2.334 518 HG2 LYS 68 2HG LYS 68 12.948 -3.853 -4.094 519 HG3 LYS 68 3HG LYS 68 14.172 -3.265 -2.967 520 HD2 LYS 68 2HD LYS 68 15.125 -5.511 -2.825 521 HD3 LYS 68 3HD LYS 68 13.893 -6.106 -3.939 522 HE2 LYS 68 2HE LYS 68 14.742 -4.508 -5.642 523 HE3 LYS 68 3HE LYS 68 16.042 -4.076 -4.530 524 HZ1 LYS 68 3HZ LYS 68 16.949 -6.226 -4.670 525 HZ2 LYS 68 1HZ LYS 68 16.578 -5.799 -6.267 526 HZ3 LYS 68 2HZ LYS 68 15.569 -6.861 -5.421 527 HA PRO 69 HA PRO 69 8.666 -1.987 -4.262 528 HB2 PRO 69 2HB PRO 69 10.162 0.206 -5.453 529 HB3 PRO 69 3HB PRO 69 8.701 0.261 -4.464 530 HG2 PRO 69 2HG PRO 69 11.112 1.157 -3.592 531 HG3 PRO 69 3HG PRO 69 9.876 0.495 -2.508 532 HD2 PRO 69 2HD PRO 69 12.331 -0.825 -3.611 533 HD3 PRO 69 3HD PRO 69 11.644 -0.907 -1.973 534 H ASN 70 H ASN 70 9.113 -3.923 -5.398 535 HA ASN 70 HA ASN 70 9.049 -3.802 -8.079 536 HB2 ASN 70 2HB ASN 70 11.203 -4.428 -8.990 537 HB3 ASN 70 3HB ASN 70 11.389 -2.925 -8.096 538 HD21 ASN 70 1HD2 ASN 70 12.122 -6.330 -8.177 539 HD22 ASN 70 2HD2 ASN 70 13.327 -6.299 -6.936 540 H ASP 71 H ASP 71 9.917 -5.495 -5.224 541 HA ASP 71 HA ASP 71 10.028 -8.090 -6.522 542 HB2 ASP 71 2HB ASP 71 11.494 -7.230 -4.536 543 HB3 ASP 71 3HB ASP 71 10.110 -7.684 -3.549 544 H ARG 72 H ARG 72 8.651 -9.829 -6.037 545 HA ARG 72 HA ARG 72 5.943 -9.012 -5.265 546 HB2 ARG 72 2HB ARG 72 6.854 -11.653 -6.427 547 HB3 ARG 72 3HB ARG 72 5.199 -11.088 -6.258 548 HG2 ARG 72 2HG ARG 72 5.689 -9.271 -7.858 549 HG3 ARG 72 3HG ARG 72 7.304 -9.947 -8.086 550 HD2 ARG 72 2HD ARG 72 4.676 -11.290 -8.688 551 HD3 ARG 72 3HD ARG 72 5.844 -10.685 -9.862 552 HE ARG 72 HE ARG 72 7.389 -12.413 -8.958 553 HH11 ARG 72 1HH1 ARG 72 3.920 -12.805 -8.666 554 HH12 ARG 72 2HH1 ARG 72 4.003 -14.536 -8.511 555 HH21 ARG 72 1HH2 ARG 72 7.494 -14.695 -8.745 556 HH22 ARG 72 2HH2 ARG 72 6.019 -15.597 -8.568 557 H TYR 73 H TYR 73 5.410 -9.268 -3.193 558 HA TYR 73 HA TYR 73 6.872 -11.253 -1.603 559 HB2 TYR 73 2HB TYR 73 5.331 -8.777 -0.838 560 HB3 TYR 73 3HB TYR 73 5.894 -9.950 0.346 561 HD1 TYR 73 HD1 TYR 73 7.016 -7.522 -2.221 562 HD2 TYR 73 HD2 TYR 73 8.137 -9.945 1.091 563 HE1 TYR 73 HE1 TYR 73 9.174 -6.349 -2.101 564 HE2 TYR 73 HE2 TYR 73 10.301 -8.786 1.215 565 HH TYR 73 HH TYR 73 11.788 -7.482 -0.261 566 H LEU 74 H LEU 74 5.922 -13.047 -0.958 567 HA LEU 74 HA LEU 74 2.986 -13.223 -0.949 568 HB2 LEU 74 2HB LEU 74 4.260 -15.003 -2.120 569 HB3 LEU 74 3HB LEU 74 5.052 -15.409 -0.610 570 HG LEU 74 HG LEU 74 2.863 -16.040 0.349 571 HD11 LEU 74 1HD1 LEU 74 0.939 -16.302 -1.159 572 HD12 LEU 74 2HD1 LEU 74 1.849 -15.491 -2.435 573 HD13 LEU 74 3HD1 LEU 74 1.419 -14.617 -0.965 574 HD21 LEU 74 3HD2 LEU 74 2.567 -18.095 -0.967 575 HD22 LEU 74 1HD2 LEU 74 4.264 -17.750 -0.635 576 HD23 LEU 74 2HD2 LEU 74 3.593 -17.417 -2.232 577 H LEU 75 H LEU 75 2.531 -12.077 0.924 578 HA LEU 75 HA LEU 75 3.749 -13.077 3.420 579 HB2 LEU 75 2HB LEU 75 2.944 -10.239 2.773 580 HB3 LEU 75 3HB LEU 75 3.643 -10.791 4.284 581 HG LEU 75 HG LEU 75 5.067 -10.930 1.623 582 HD11 LEU 75 1HD1 LEU 75 6.340 -9.003 2.359 583 HD12 LEU 75 2HD1 LEU 75 5.386 -8.911 3.839 584 HD13 LEU 75 3HD1 LEU 75 4.623 -8.602 2.276 585 HD21 LEU 75 3HD2 LEU 75 6.044 -11.272 4.455 586 HD22 LEU 75 1HD2 LEU 75 7.047 -11.301 3.006 587 HD23 LEU 75 2HD2 LEU 75 5.838 -12.557 3.264 588 H ASN 76 H ASN 76 2.321 -11.762 5.288 589 HA ASN 76 HA ASN 76 -0.121 -13.084 5.505 590 HB2 ASN 76 2HB ASN 76 1.081 -12.053 7.408 591 HB3 ASN 76 3HB ASN 76 0.679 -10.457 6.785 592 HD21 ASN 76 1HD2 ASN 76 -0.413 -9.921 8.676 593 HD22 ASN 76 2HD2 ASN 76 -1.969 -10.576 9.054 594 H GLU 77 H GLU 77 -2.087 -12.725 4.690 595 HA GLU 77 HA GLU 77 -2.323 -10.421 2.880 596 HB2 GLU 77 2HB GLU 77 -3.692 -11.972 1.450 597 HB3 GLU 77 3HB GLU 77 -1.991 -12.399 1.593 598 HG2 GLU 77 2HG GLU 77 -2.824 -13.916 3.542 599 HG3 GLU 77 3HG GLU 77 -4.386 -13.752 2.744 600 H TRP 78 H TRP 78 -4.663 -10.187 2.115 601 HA TRP 78 HA TRP 78 -6.826 -9.697 2.433 602 HB2 TRP 78 2HB TRP 78 -6.730 -11.408 4.909 603 HB3 TRP 78 3HB TRP 78 -8.177 -10.838 4.085 604 HD1 TRP 78 HD1 TRP 78 -6.512 -13.885 4.475 605 HE1 TRP 78 HE1 TRP 78 -6.709 -15.455 2.446 606 HE3 TRP 78 HE3 TRP 78 -7.984 -10.481 0.971 607 HZ2 TRP 78 HZ2 TRP 78 -7.391 -15.268 -0.285 608 HZ3 TRP 78 HZ3 TRP 78 -8.383 -11.249 -1.330 609 HH2 TRP 78 HH2 TRP 78 -8.090 -13.597 -1.941 610 H LYS 79 H LYS 79 -5.402 -9.755 5.715 611 HA LYS 79 HA LYS 79 -6.317 -6.959 6.012 612 HB2 LYS 79 2HB LYS 79 -7.794 -8.508 7.262 613 HB3 LYS 79 3HB LYS 79 -6.396 -9.124 8.130 614 HG2 LYS 79 2HG LYS 79 -6.047 -6.741 8.945 615 HG3 LYS 79 3HG LYS 79 -7.670 -6.415 8.330 616 HD2 LYS 79 2HD LYS 79 -6.982 -8.576 10.324 617 HD3 LYS 79 3HD LYS 79 -7.623 -6.990 10.748 618 HE2 LYS 79 2HE LYS 79 -9.126 -8.604 8.760 619 HE3 LYS 79 3HE LYS 79 -9.177 -9.126 10.441 620 HZ1 LYS 79 3HZ LYS 79 -9.962 -6.440 9.414 621 HZ2 LYS 79 1HZ LYS 79 -9.948 -6.902 11.048 622 HZ3 LYS 79 2HZ LYS 79 -11.008 -7.661 9.969 623 H PHE 80 H PHE 80 -4.705 -5.591 6.519 624 HA PHE 80 HA PHE 80 -2.652 -6.226 8.380 625 HB2 PHE 80 2HB PHE 80 -1.956 -7.484 6.249 626 HB3 PHE 80 3HB PHE 80 -1.647 -5.897 5.553 627 HD1 PHE 80 HD1 PHE 80 -0.699 -8.189 8.283 628 HD2 PHE 80 HD2 PHE 80 0.333 -4.731 6.039 629 HE1 PHE 80 HE1 PHE 80 1.532 -8.192 9.316 630 HE2 PHE 80 HE2 PHE 80 2.566 -4.722 7.071 631 HZ PHE 80 HZ PHE 80 3.168 -6.455 8.709 632 H ARG 81 H ARG 81 -1.121 -4.420 8.665 633 HA ARG 81 HA ARG 81 -2.183 -1.893 7.579 634 HB2 ARG 81 2HB ARG 81 -0.787 -2.069 10.245 635 HB3 ARG 81 3HB ARG 81 -1.790 -0.769 9.619 636 HG2 ARG 81 2HG ARG 81 -3.232 -1.698 11.110 637 HG3 ARG 81 3HG ARG 81 -3.646 -2.633 9.667 638 HD2 ARG 81 2HD ARG 81 -1.914 -4.319 10.454 639 HD3 ARG 81 3HD ARG 81 -1.914 -3.453 11.987 640 HE ARG 81 HE ARG 81 -4.481 -3.956 11.795 641 HH11 ARG 81 1HH1 ARG 81 -1.752 -6.045 11.084 642 HH12 ARG 81 2HH1 ARG 81 -2.657 -7.508 11.345 643 HH21 ARG 81 1HH2 ARG 81 -5.650 -5.894 12.175 644 HH22 ARG 81 2HH2 ARG 81 -4.851 -7.430 11.963 645 H LEU 82 H LEU 82 -0.751 -0.567 6.624 646 HA LEU 82 HA LEU 82 2.078 -1.390 6.733 647 HB2 LEU 82 2HB LEU 82 0.550 0.054 4.561 648 HB3 LEU 82 3HB LEU 82 2.281 -0.217 4.536 649 HG LEU 82 HG LEU 82 0.202 -2.405 4.549 650 HD11 LEU 82 1HD1 LEU 82 0.183 -1.083 2.477 651 HD12 LEU 82 2HD1 LEU 82 0.767 -2.726 2.217 652 HD13 LEU 82 3HD1 LEU 82 1.909 -1.383 2.285 653 HD21 LEU 82 3HD2 LEU 82 3.201 -2.456 4.233 654 HD22 LEU 82 1HD2 LEU 82 2.134 -3.831 3.938 655 HD23 LEU 82 2HD2 LEU 82 2.259 -3.144 5.557 656 H TYR 83 H TYR 83 3.619 0.102 7.236 657 HA TYR 83 HA TYR 83 2.617 2.762 7.987 658 HB2 TYR 83 2HB TYR 83 4.806 1.051 9.132 659 HB3 TYR 83 3HB TYR 83 4.810 2.795 9.377 660 HD1 TYR 83 HD2 TYR 83 2.695 -0.237 9.862 661 HD2 TYR 83 HD1 TYR 83 3.561 3.737 11.110 662 HE1 TYR 83 HE2 TYR 83 1.142 -0.498 11.751 663 HE2 TYR 83 HE1 TYR 83 2.009 3.489 13.000 664 HH TYR 83 HH TYR 83 0.751 0.473 13.958 665 H TYR 84 H TYR 84 3.001 4.147 6.428 666 HA TYR 84 HA TYR 84 5.446 3.870 4.856 667 HB2 TYR 84 2HB TYR 84 3.389 4.085 3.572 668 HB3 TYR 84 3HB TYR 84 2.993 5.581 4.411 669 HD1 TYR 84 HD1 TYR 84 5.763 4.115 2.368 670 HD2 TYR 84 HD2 TYR 84 3.492 7.577 3.353 671 HE1 TYR 84 HE1 TYR 84 6.980 5.397 0.658 672 HE2 TYR 84 HE2 TYR 84 4.700 8.863 1.643 673 HH TYR 84 HH TYR 84 6.849 8.789 0.465 674 H THR 85 H THR 85 7.060 4.729 6.034 675 HA THR 85 HA THR 85 6.817 7.446 7.055 676 HB THR 85 HB THR 85 9.274 5.672 6.972 677 HG1 THR 85 HG1 THR 85 7.340 6.064 9.037 678 HG21 THR 85 3HG2 THR 85 9.821 8.015 7.252 679 HG22 THR 85 1HG2 THR 85 10.060 7.173 8.783 680 HG23 THR 85 2HG2 THR 85 8.627 8.172 8.540 681 H SER 86 H SER 86 6.969 9.036 5.577 682 HA SER 86 HA SER 86 8.063 8.431 2.984 683 HB2 SER 86 2HB SER 86 5.997 9.841 3.409 684 HB3 SER 86 3HB SER 86 7.087 11.126 3.929 685 HG SER 86 HG SER 86 6.708 11.444 1.774 686 H GLN 87 H GLN 87 9.777 9.481 1.966 687 HA GLN 87 HA GLN 87 11.672 10.838 3.774 688 HB2 GLN 87 2HB GLN 87 12.218 9.068 1.380 689 HB3 GLN 87 3HB GLN 87 13.449 9.999 2.216 690 HG2 GLN 87 2HG GLN 87 11.787 7.805 3.432 691 HG3 GLN 87 3HG GLN 87 13.454 7.654 2.883 692 HE21 GLN 87 1HE2 GLN 87 15.091 8.726 4.028 693 HE22 GLN 87 2HE2 GLN 87 14.861 9.222 5.673 694 H SER 88 H SER 88 9.452 11.518 1.650 695 HA SER 88 HA SER 88 10.950 13.685 0.388 696 HB2 SER 88 2HB SER 88 10.957 11.846 -1.236 697 HB3 SER 88 3HB SER 88 9.205 11.711 -1.114 698 HG SER 88 HG SER 88 10.494 13.139 -2.820 699 H ASP 89 H ASP 89 9.796 15.513 0.094 700 HA ASP 89 HA ASP 89 6.924 15.445 0.733 701 HB2 ASP 89 2HB ASP 89 7.281 17.936 1.292 702 HB3 ASP 89 3HB ASP 89 7.875 16.747 2.443 703 H LYS 90 H LYS 90 9.097 17.766 -0.852 704 HA LYS 90 HA LYS 90 8.982 18.839 -2.847 705 HB2 LYS 90 2HB LYS 90 8.574 15.993 -3.755 706 HB3 LYS 90 3HB LYS 90 9.157 17.316 -4.756 707 HG2 LYS 90 2HG LYS 90 11.094 17.557 -3.248 708 HG3 LYS 90 3HG LYS 90 10.525 16.158 -2.337 709 HD2 LYS 90 2HD LYS 90 10.677 14.811 -4.418 710 HD3 LYS 90 3HD LYS 90 11.367 16.212 -5.235 711 HE2 LYS 90 2HE LYS 90 12.539 14.779 -2.853 712 HE3 LYS 90 3HE LYS 90 13.110 14.665 -4.515 713 HZ1 LYS 90 3HZ LYS 90 14.464 16.178 -3.214 714 HZ2 LYS 90 1HZ LYS 90 13.107 17.133 -2.852 715 HZ3 LYS 90 2HZ LYS 90 13.665 17.018 -4.449 716 H GLU 91 H GLU 91 6.968 16.570 -4.487 717 HA GLU 91 HA GLU 91 4.640 18.300 -4.141 718 HB2 GLU 91 2HB GLU 91 4.271 18.604 -6.477 719 HB3 GLU 91 3HB GLU 91 5.914 19.113 -6.121 720 HG2 GLU 91 2HG GLU 91 5.215 16.412 -7.247 721 HG3 GLU 91 3HG GLU 91 5.615 17.811 -8.240 722 H ALA 92 H ALA 92 5.935 15.163 -5.132 723 HA ALA 92 HA ALA 92 3.296 14.028 -4.687 724 HB1 ALA 92 3HB ALA 92 4.679 13.643 -7.331 725 HB2 ALA 92 1HB ALA 92 3.291 14.697 -7.052 726 HB3 ALA 92 2HB ALA 92 3.136 12.954 -6.833 727 H GLN 93 H GLN 93 3.347 12.060 -3.842 728 HA GLN 93 HA GLN 93 5.695 10.344 -4.324 729 HB2 GLN 93 2HB GLN 93 4.113 10.582 -1.750 730 HB3 GLN 93 3HB GLN 93 5.310 9.336 -2.065 731 HG2 GLN 93 2HG GLN 93 6.424 10.912 -0.767 732 HG3 GLN 93 3HG GLN 93 6.961 11.238 -2.415 733 HE21 GLN 93 1HE2 GLN 93 7.499 13.339 -2.010 734 HE22 GLN 93 2HE2 GLN 93 6.328 14.576 -1.706 735 H THR 94 H THR 94 4.988 8.775 -5.651 736 HA THR 94 HA THR 94 2.181 7.919 -5.375 737 HB THR 94 HB THR 94 3.893 7.492 -7.818 738 HG1 THR 94 HG1 THR 94 2.176 9.720 -7.256 739 HG21 THR 94 3HG2 THR 94 0.902 7.655 -7.413 740 HG22 THR 94 1HG2 THR 94 1.831 6.173 -7.639 741 HG23 THR 94 2HG2 THR 94 1.722 7.355 -8.945 742 H ILE 95 H ILE 95 1.882 5.941 -4.560 743 HA ILE 95 HA ILE 95 3.939 3.897 -5.107 744 HB ILE 95 HB ILE 95 3.210 2.717 -3.068 745 HG12 ILE 95 2HG1 ILE 95 1.627 5.223 -2.459 746 HG13 ILE 95 3HG1 ILE 95 0.916 3.697 -2.976 747 HG21 ILE 95 1HG2 ILE 95 4.248 4.248 -1.448 748 HG22 ILE 95 2HG2 ILE 95 4.114 5.557 -2.623 749 HG23 ILE 95 3HG2 ILE 95 5.145 4.167 -2.964 750 HD11 ILE 95 3HD1 ILE 95 1.770 2.620 -0.962 751 HD12 ILE 95 1HD1 ILE 95 0.738 3.995 -0.572 752 HD13 ILE 95 2HD1 ILE 95 2.492 4.145 -0.447 753 H ASP 96 H ASP 96 3.222 1.847 -5.741 754 HA ASP 96 HA ASP 96 0.365 1.671 -6.435 755 HB2 ASP 96 2HB ASP 96 2.070 2.314 -8.332 756 HB3 ASP 96 3HB ASP 96 2.473 0.604 -8.287 757 H LEU 97 H LEU 97 -0.466 -0.059 -5.473 758 HA LEU 97 HA LEU 97 1.315 -2.262 -4.689 759 HB2 LEU 97 2HB LEU 97 -1.491 -1.636 -3.762 760 HB3 LEU 97 3HB LEU 97 -0.448 -2.884 -3.112 761 HG LEU 97 HG LEU 97 0.072 0.087 -2.935 762 HD11 LEU 97 1HD1 LEU 97 -0.837 -1.893 -0.853 763 HD12 LEU 97 2HD1 LEU 97 -1.802 -0.591 -1.549 764 HD13 LEU 97 3HD1 LEU 97 -0.397 -0.212 -0.552 765 HD21 LEU 97 3HD2 LEU 97 1.860 -0.574 -1.377 766 HD22 LEU 97 1HD2 LEU 97 2.140 -1.171 -3.014 767 HD23 LEU 97 2HD2 LEU 97 1.549 -2.267 -1.766 768 H TYR 98 H TYR 98 1.263 -4.105 -5.816 769 HA TYR 98 HA TYR 98 -1.015 -4.533 -7.626 770 HB2 TYR 98 2HB TYR 98 1.734 -5.776 -7.752 771 HB3 TYR 98 3HB TYR 98 0.480 -5.876 -8.978 772 HD1 TYR 98 HD2 TYR 98 -0.202 -3.743 -10.167 773 HD2 TYR 98 HD1 TYR 98 3.271 -4.016 -7.733 774 HE1 TYR 98 HE2 TYR 98 0.705 -1.730 -11.242 775 HE2 TYR 98 HE1 TYR 98 4.185 -2.004 -8.801 776 HH TYR 98 HH TYR 98 2.353 0.097 -10.609 777 H PHE 99 H PHE 99 -2.477 -5.815 -6.666 778 HA PHE 99 HA PHE 99 -1.581 -8.259 -5.321 779 HB2 PHE 99 2HB PHE 99 -4.353 -7.105 -5.733 780 HB3 PHE 99 3HB PHE 99 -4.016 -8.604 -4.876 781 HD1 PHE 99 HD2 PHE 99 -3.694 -4.945 -4.768 782 HD2 PHE 99 HD1 PHE 99 -3.170 -8.596 -2.647 783 HE1 PHE 99 HE2 PHE 99 -3.418 -3.684 -2.677 784 HE2 PHE 99 HE1 PHE 99 -2.892 -7.337 -0.549 785 HZ PHE 99 HZ PHE 99 -3.015 -4.880 -0.564 786 H GLU 100 H GLU 100 -1.223 -10.007 -6.557 787 HA GLU 100 HA GLU 100 -2.759 -10.244 -9.068 788 HB2 GLU 100 2HB GLU 100 -0.708 -11.143 -10.129 789 HB3 GLU 100 3HB GLU 100 -0.534 -9.471 -9.607 790 HG2 GLU 100 2HG GLU 100 0.712 -10.129 -7.687 791 HG3 GLU 100 3HG GLU 100 0.400 -11.828 -8.016 792 H ASP 101 H ASP 101 -3.221 -12.289 -9.803 793 HA ASP 101 HA ASP 101 -2.739 -14.510 -7.939 794 HB2 ASP 101 2HB ASP 101 -4.848 -15.200 -8.330 795 HB3 ASP 101 3HB ASP 101 -5.109 -13.648 -9.110 796 H ASN 102 H ASN 102 -2.916 -16.682 -9.521 797 HA ASN 102 HA ASN 102 -0.347 -16.738 -10.654 798 HB2 ASN 102 2HB ASN 102 -2.618 -18.709 -10.703 799 HB3 ASN 102 3HB ASN 102 -1.074 -19.035 -11.482 800 HD21 ASN 102 1HD2 ASN 102 0.463 -17.607 -9.470 801 HD22 ASN 102 2HD2 ASN 102 0.476 -18.613 -8.068 802 H TRP 103 H TRP 103 -3.547 -16.390 -12.254 803 HA TRP 103 HA TRP 103 -2.032 -16.481 -14.774 804 HB2 TRP 103 2HB TRP 103 -4.144 -17.467 -15.817 805 HB3 TRP 103 3HB TRP 103 -3.137 -18.510 -14.825 806 HD1 TRP 103 HD1 TRP 103 -6.144 -16.177 -13.926 807 HE1 TRP 103 HE1 TRP 103 -7.804 -17.568 -12.533 808 HE3 TRP 103 HE3 TRP 103 -3.660 -20.645 -13.929 809 HZ2 TRP 103 HZ2 TRP 103 -8.030 -20.205 -11.569 810 HZ3 TRP 103 HZ3 TRP 103 -4.670 -22.553 -12.747 811 HH2 TRP 103 HH2 TRP 103 -6.807 -22.337 -11.594 812 H GLY 104 H GLY 104 -4.659 -14.749 -13.136 813 HA2 GLY 104 2HA GLY 104 -4.851 -13.115 -15.586 814 HA3 GLY 104 3HA GLY 104 -6.311 -13.831 -14.939 815 H ASN 105 H ASN 105 -5.695 -13.376 -12.164 816 HA ASN 105 HA ASN 105 -6.848 -10.739 -12.102 817 HB2 ASN 105 2HB ASN 105 -7.446 -12.755 -10.605 818 HB3 ASN 105 3HB ASN 105 -6.001 -12.340 -9.688 819 HD21 ASN 105 1HD2 ASN 105 -8.744 -12.351 -8.821 820 HD22 ASN 105 2HD2 ASN 105 -9.124 -10.744 -8.313 821 H LEU 106 H LEU 106 -5.746 -8.914 -11.974 822 HA LEU 106 HA LEU 106 -3.563 -8.704 -10.086 823 HB2 LEU 106 2HB LEU 106 -2.197 -9.158 -11.932 824 HB3 LEU 106 3HB LEU 106 -3.210 -8.238 -13.034 825 HG LEU 106 HG LEU 106 -2.441 -6.146 -11.934 826 HD11 LEU 106 1HD1 LEU 106 -1.886 -7.145 -9.750 827 HD12 LEU 106 2HD1 LEU 106 -0.576 -6.173 -10.419 828 HD13 LEU 106 3HD1 LEU 106 -0.494 -7.933 -10.493 829 HD21 LEU 106 3HD2 LEU 106 -1.357 -6.935 -13.959 830 HD22 LEU 106 1HD2 LEU 106 -0.258 -7.930 -13.004 831 HD23 LEU 106 2HD2 LEU 106 -0.185 -6.172 -12.886 832 H GLN 107 H GLN 107 -4.125 -7.066 -8.869 833 HA GLN 107 HA GLN 107 -5.633 -4.831 -10.072 834 HB2 GLN 107 2HB GLN 107 -7.044 -6.198 -8.608 835 HB3 GLN 107 3HB GLN 107 -5.881 -6.017 -7.303 836 HG2 GLN 107 2HG GLN 107 -6.300 -3.588 -7.305 837 HG3 GLN 107 3HG GLN 107 -7.520 -3.825 -8.554 838 HE21 GLN 107 1HE2 GLN 107 -7.018 -6.066 -5.918 839 HE22 GLN 107 2HE2 GLN 107 -8.506 -5.739 -5.109 840 H GLN 108 H GLN 108 -4.547 -3.016 -10.063 841 HA GLN 108 HA GLN 108 -2.363 -2.657 -8.142 842 HB2 GLN 108 2HB GLN 108 -1.721 -0.749 -9.665 843 HB3 GLN 108 3HB GLN 108 -1.614 -2.355 -10.370 844 HG2 GLN 108 2HG GLN 108 -3.728 -2.004 -11.520 845 HG3 GLN 108 3HG GLN 108 -3.872 -0.407 -10.790 846 HE21 GLN 108 1HE2 GLN 108 -1.026 0.176 -11.057 847 HE22 GLN 108 2HE2 GLN 108 -0.766 0.501 -12.738 848 H LEU 109 H LEU 109 -2.806 -1.584 -6.375 849 HA LEU 109 HA LEU 109 -4.860 0.503 -6.406 850 HB2 LEU 109 2HB LEU 109 -3.325 -0.707 -4.101 851 HB3 LEU 109 3HB LEU 109 -4.584 0.504 -3.951 852 HG LEU 109 HG LEU 109 -4.953 -2.319 -4.967 853 HD11 LEU 109 1HD1 LEU 109 -5.830 -0.986 -2.410 854 HD12 LEU 109 2HD1 LEU 109 -4.586 -2.226 -2.571 855 HD13 LEU 109 3HD1 LEU 109 -6.270 -2.614 -2.924 856 HD21 LEU 109 3HD2 LEU 109 -6.454 -0.783 -6.101 857 HD22 LEU 109 1HD2 LEU 109 -6.961 -0.106 -4.553 858 HD23 LEU 109 2HD2 LEU 109 -7.347 -1.780 -4.950 859 H THR 110 H THR 110 -4.147 2.427 -7.004 860 HA THR 110 HA THR 110 -1.347 3.125 -6.517 861 HB THR 110 HB THR 110 -3.328 4.563 -8.284 862 HG1 THR 110 HG1 THR 110 -1.758 2.251 -8.703 863 HG21 THR 110 3HG2 THR 110 -0.306 4.563 -8.200 864 HG22 THR 110 1HG2 THR 110 -1.355 5.872 -7.670 865 HG23 THR 110 2HG2 THR 110 -1.299 5.426 -9.378 866 H TYR 111 H TYR 111 -0.914 4.326 -4.813 867 HA TYR 111 HA TYR 111 -2.909 6.308 -3.921 868 HB2 TYR 111 2HB TYR 111 -0.684 4.996 -2.333 869 HB3 TYR 111 3HB TYR 111 -1.796 6.211 -1.713 870 HD1 TYR 111 HD1 TYR 111 -4.190 5.650 -1.400 871 HD2 TYR 111 HD2 TYR 111 -1.329 2.708 -2.527 872 HE1 TYR 111 HE1 TYR 111 -5.761 3.878 -0.745 873 HE2 TYR 111 HE2 TYR 111 -2.895 0.927 -1.878 874 HH TYR 111 HH TYR 111 -6.175 1.496 -1.252 875 H ASP 112 H ASP 112 -2.396 8.386 -4.125 876 HA ASP 112 HA ASP 112 0.404 9.045 -4.781 877 HB2 ASP 112 2HB ASP 112 -1.045 9.174 -6.762 878 HB3 ASP 112 3HB ASP 112 -2.114 10.285 -5.915 879 H PHE 113 H PHE 113 1.297 10.207 -3.246 880 HA PHE 113 HA PHE 113 -0.396 11.871 -1.513 881 HB2 PHE 113 2HB PHE 113 2.492 11.090 -1.071 882 HB3 PHE 113 3HB PHE 113 1.371 11.757 0.109 883 HD1 PHE 113 HD1 PHE 113 -0.592 10.340 0.828 884 HD2 PHE 113 HD2 PHE 113 2.692 8.794 -1.388 885 HE1 PHE 113 HE1 PHE 113 -1.186 8.060 1.529 886 HE2 PHE 113 HE2 PHE 113 2.101 6.514 -0.692 887 HZ PHE 113 HZ PHE 113 0.156 6.147 0.774 888 H ASN 114 H ASN 114 0.826 13.843 -0.635 889 HA ASN 114 HA ASN 114 2.859 14.991 -2.318 890 HB2 ASN 114 2HB ASN 114 1.720 16.920 -3.047 891 HB3 ASN 114 3HB ASN 114 0.568 15.627 -3.353 892 HD21 ASN 114 1HD2 ASN 114 -1.245 15.431 -2.012 893 HD22 ASN 114 2HD2 ASN 114 -1.797 16.746 -1.035 894 H GLY 115 H GLY 115 3.595 17.127 -1.306 895 HA2 GLY 115 2HA GLY 115 2.788 17.347 1.507 896 HA3 GLY 115 3HA GLY 115 4.484 17.054 1.149 897 H LYS 116 H LYS 116 2.205 19.104 -0.612 898 HA LYS 116 HA LYS 116 3.732 21.450 0.252 899 HB2 LYS 116 2HB LYS 116 4.680 20.548 -1.888 900 HB3 LYS 116 3HB LYS 116 3.135 20.892 -2.652 901 HG2 LYS 116 2HG LYS 116 3.419 23.274 -2.036 902 HG3 LYS 116 3HG LYS 116 5.025 22.884 -1.421 903 HD2 LYS 116 2HD LYS 116 5.251 23.757 -3.644 904 HD3 LYS 116 3HD LYS 116 5.616 22.030 -3.681 905 HE2 LYS 116 2HE LYS 116 3.459 21.535 -4.604 906 HE3 LYS 116 3HE LYS 116 2.929 23.201 -4.381 907 HZ1 LYS 116 3HZ LYS 116 4.599 23.904 -5.983 908 HZ2 LYS 116 1HZ LYS 116 3.525 22.790 -6.674 909 HZ3 LYS 116 2HZ LYS 116 5.083 22.296 -6.218 910 H LEU 117 H LEU 117 0.775 20.089 -1.004 911 HA LEU 117 HA LEU 117 -0.518 22.525 -1.651 912 HB2 LEU 117 2HB LEU 117 -1.210 20.326 -2.522 913 HB3 LEU 117 3HB LEU 117 -1.725 19.861 -0.910 914 HG LEU 117 HG LEU 117 -3.418 21.677 -0.957 915 HD11 LEU 117 1HD1 LEU 117 -2.335 23.182 -2.518 916 HD12 LEU 117 2HD1 LEU 117 -3.940 22.745 -3.102 917 HD13 LEU 117 3HD1 LEU 117 -2.510 21.998 -3.813 918 HD21 LEU 117 3HD2 LEU 117 -4.940 20.576 -2.501 919 HD22 LEU 117 1HD2 LEU 117 -4.003 19.386 -1.595 920 HD23 LEU 117 2HD2 LEU 117 -3.586 19.749 -3.271 921 H GLU 118 H GLU 118 -0.614 24.045 -0.150 922 HA GLU 118 HA GLU 118 -1.195 25.213 1.700 923 HB2 GLU 118 2HB GLU 118 -3.417 24.146 1.458 924 HB3 GLU 118 3HB GLU 118 -2.872 22.811 2.466 925 HG2 GLU 118 2HG GLU 118 -2.439 24.485 4.279 926 HG3 GLU 118 3HG GLU 118 -3.239 25.683 3.264 927 H HIS 119 H HIS 119 -1.015 21.840 2.792 928 HA HIS 119 HA HIS 119 0.265 20.757 4.280 929 HB2 HIS 119 2HB HIS 119 2.166 21.637 3.009 930 HB3 HIS 119 3HB HIS 119 2.164 23.097 3.992 931 HD1 HIS 119 HD1 HIS 119 2.378 19.347 4.641 932 HD2 HIS 119 HD2 HIS 119 3.992 22.950 5.969 933 HE1 HIS 119 HE1 HIS 119 4.077 18.734 6.400 934 HE2 HIS 119 HE2 HIS 119 4.909 20.937 7.309 935 H HIS 120 H HIS 120 1.313 23.909 5.486 936 HA HIS 120 HA HIS 120 1.441 24.633 7.647 937 HB2 HIS 120 2HB HIS 120 -0.873 25.314 6.883 938 HB3 HIS 120 3HB HIS 120 -1.494 23.900 7.721 939 HD1 HIS 120 HD1 HIS 120 -2.620 24.717 9.782 940 HD2 HIS 120 HD2 HIS 120 0.956 26.729 9.058 941 HE1 HIS 120 HE1 HIS 120 -2.287 26.257 11.741 942 HE2 HIS 120 HE2 HIS 120 -0.087 27.409 11.326 943 H HIS 121 H HIS 121 -1.076 22.913 9.086 944 HA HIS 121 HA HIS 121 0.358 20.482 9.654 945 HB2 HIS 121 2HB HIS 121 -0.106 22.542 11.818 946 HB3 HIS 121 3HB HIS 121 0.048 20.831 12.184 947 HD1 HIS 121 HD1 HIS 121 2.435 19.738 11.426 948 HD2 HIS 121 HD2 HIS 121 2.242 23.888 11.699 949 HE1 HIS 121 HE1 HIS 121 4.821 20.523 11.558 950 HE2 HIS 121 HE2 HIS 121 4.681 23.043 11.551 951 H HIS 122 H HIS 122 -1.328 19.226 9.027 952 HA HIS 122 HA HIS 122 -3.988 19.935 10.009 953 HB2 HIS 122 2HB HIS 122 -4.840 18.147 8.500 954 HB3 HIS 122 3HB HIS 122 -3.975 19.424 7.661 955 HD1 HIS 122 HD1 HIS 122 -4.025 15.765 8.163 956 HD2 HIS 122 HD2 HIS 122 -1.382 18.637 6.711 957 HE1 HIS 122 HE1 HIS 122 -2.306 14.502 6.836 958 HE2 HIS 122 HE2 HIS 122 -0.785 16.269 5.870 959 H HIS 123 H HIS 123 -4.693 19.146 11.807 960 HA HIS 123 HA HIS 123 -3.398 16.873 13.062 961 HB2 HIS 123 2HB HIS 123 -4.202 19.054 14.214 962 HB3 HIS 123 3HB HIS 123 -5.809 18.348 14.121 963 HD1 HIS 123 HD1 HIS 123 -6.467 16.886 16.021 964 HD2 HIS 123 HD2 HIS 123 -2.346 17.378 15.759 965 HE1 HIS 123 HE1 HIS 123 -5.524 15.807 18.088 966 HE2 HIS 123 HE2 HIS 123 -3.057 16.345 18.024 967 H HIS 124 H HIS 124 -4.457 16.016 10.801 968 HA HIS 124 HA HIS 124 -6.671 14.308 11.538 969 HB2 HIS 124 2HB HIS 124 -7.924 16.215 10.775 970 HB3 HIS 124 3HB HIS 124 -6.869 16.426 9.384 971 HD1 HIS 124 HD1 HIS 124 -7.570 15.333 7.265 972 HD2 HIS 124 HD2 HIS 124 -9.608 13.826 10.565 973 HE1 HIS 124 HE1 HIS 124 -9.349 13.817 6.332 974 HE2 HIS 124 HE2 HIS 124 -10.669 13.040 8.336 Start of MODEL 7 1 H1 MET 1 1H MET 1 -16.147 -7.364 -14.513 2 H2 MET 1 2H MET 1 -16.390 -5.883 -15.298 3 H3 MET 1 3H MET 1 -14.858 -6.272 -14.691 4 HA MET 1 HA MET 1 -14.844 -6.551 -17.045 5 HB2 MET 1 2HB MET 1 -14.857 -9.116 -15.460 6 HB3 MET 1 3HB MET 1 -14.439 -9.077 -17.164 7 HG2 MET 1 2HG MET 1 -12.430 -9.077 -15.896 8 HG3 MET 1 3HG MET 1 -12.616 -7.483 -16.623 9 HE1 MET 1 3HE MET 1 -10.738 -6.592 -14.976 10 HE2 MET 1 1HE MET 1 -10.601 -8.179 -14.217 11 HE3 MET 1 2HE MET 1 -10.822 -6.742 -13.220 12 H ASN 2 H ASN 2 -17.477 -8.298 -15.467 13 HA ASN 2 HA ASN 2 -19.394 -9.237 -16.220 14 HB2 ASN 2 2HB ASN 2 -19.736 -6.907 -17.143 15 HB3 ASN 2 3HB ASN 2 -19.106 -7.494 -18.679 16 HD21 ASN 2 1HD2 ASN 2 -21.723 -6.407 -18.074 17 HD22 ASN 2 2HD2 ASN 2 -22.867 -7.631 -18.506 18 H GLU 3 H GLU 3 -18.477 -11.252 -16.429 19 HA GLU 3 HA GLU 3 -17.602 -11.999 -19.141 20 HB2 GLU 3 2HB GLU 3 -15.879 -12.119 -17.321 21 HB3 GLU 3 3HB GLU 3 -16.865 -13.345 -16.539 22 HG2 GLU 3 2HG GLU 3 -16.583 -14.822 -18.435 23 HG3 GLU 3 3HG GLU 3 -15.667 -13.582 -19.289 24 H LEU 4 H LEU 4 -19.907 -12.196 -19.542 25 HA LEU 4 HA LEU 4 -21.634 -13.513 -20.159 26 HB2 LEU 4 2HB LEU 4 -20.103 -15.716 -18.781 27 HB3 LEU 4 3HB LEU 4 -21.583 -15.955 -19.690 28 HG LEU 4 HG LEU 4 -18.962 -14.955 -20.807 29 HD11 LEU 4 1HD1 LEU 4 -18.914 -17.082 -21.988 30 HD12 LEU 4 2HD1 LEU 4 -20.417 -17.566 -21.203 31 HD13 LEU 4 3HD1 LEU 4 -18.957 -17.334 -20.244 32 HD21 LEU 4 3HD2 LEU 4 -20.890 -13.947 -21.931 33 HD22 LEU 4 1HD2 LEU 4 -21.565 -15.550 -22.212 34 HD23 LEU 4 2HD2 LEU 4 -20.049 -15.085 -22.985 35 H ASP 5 H ASP 5 -20.807 -14.885 -16.948 36 HA ASP 5 HA ASP 5 -23.603 -14.558 -16.212 37 HB2 ASP 5 2HB ASP 5 -23.013 -15.832 -14.169 38 HB3 ASP 5 3HB ASP 5 -22.625 -16.693 -15.650 39 H ILE 6 H ILE 6 -24.317 -13.415 -14.402 40 HA ILE 6 HA ILE 6 -22.509 -11.221 -13.624 41 HB ILE 6 HB ILE 6 -24.498 -9.696 -13.765 42 HG12 ILE 6 2HG1 ILE 6 -25.718 -12.039 -15.246 43 HG13 ILE 6 3HG1 ILE 6 -26.252 -11.424 -13.684 44 HG21 ILE 6 1HG2 ILE 6 -23.657 -11.023 -16.338 45 HG22 ILE 6 2HG2 ILE 6 -22.785 -9.740 -15.502 46 HG23 ILE 6 3HG2 ILE 6 -24.378 -9.422 -16.191 47 HD11 ILE 6 3HD1 ILE 6 -26.334 -9.930 -16.296 48 HD12 ILE 6 1HD1 ILE 6 -26.876 -9.314 -14.734 49 HD13 ILE 6 2HD1 ILE 6 -27.705 -10.681 -15.479 50 H GLN 7 H GLN 7 -24.437 -9.861 -12.047 51 HA GLN 7 HA GLN 7 -25.303 -9.763 -9.969 52 HB2 GLN 7 2HB GLN 7 -25.769 -12.699 -10.450 53 HB3 GLN 7 3HB GLN 7 -26.250 -11.892 -8.962 54 HG2 GLN 7 2HG GLN 7 -27.720 -10.421 -10.201 55 HG3 GLN 7 3HG GLN 7 -27.188 -11.141 -11.722 56 HE21 GLN 7 1HE2 GLN 7 -29.860 -10.984 -10.438 57 HE22 GLN 7 2HE2 GLN 7 -30.414 -12.625 -10.352 58 H GLN 8 H GLN 8 -23.516 -9.103 -8.937 59 HA GLN 8 HA GLN 8 -21.794 -9.088 -7.485 60 HB2 GLN 8 2HB GLN 8 -22.702 -11.910 -6.918 61 HB3 GLN 8 3HB GLN 8 -21.383 -11.126 -6.055 62 HG2 GLN 8 2HG GLN 8 -24.254 -10.214 -6.129 63 HG3 GLN 8 3HG GLN 8 -23.442 -11.018 -4.786 64 HE21 GLN 8 1HE2 GLN 8 -24.750 -8.423 -4.892 65 HE22 GLN 8 2HE2 GLN 8 -23.559 -7.263 -4.422 66 H GLU 9 H GLU 9 -20.267 -8.748 -9.011 67 HA GLU 9 HA GLU 9 -18.886 -11.009 -10.211 68 HB2 GLU 9 2HB GLU 9 -19.285 -9.011 -11.574 69 HB3 GLU 9 3HB GLU 9 -18.408 -8.027 -10.412 70 HG2 GLU 9 2HG GLU 9 -16.364 -9.287 -10.906 71 HG3 GLU 9 3HG GLU 9 -17.250 -10.232 -12.102 72 H TYR 10 H TYR 10 -18.556 -8.755 -7.602 73 HA TYR 10 HA TYR 10 -15.730 -9.146 -7.248 74 HB2 TYR 10 2HB TYR 10 -17.772 -7.821 -5.457 75 HB3 TYR 10 3HB TYR 10 -16.031 -7.776 -5.217 76 HD1 TYR 10 HD1 TYR 10 -14.661 -6.842 -7.272 77 HD2 TYR 10 HD2 TYR 10 -18.782 -6.066 -6.566 78 HE1 TYR 10 HE1 TYR 10 -14.512 -4.822 -8.664 79 HE2 TYR 10 HE2 TYR 10 -18.644 -4.044 -7.959 80 HH TYR 10 HH TYR 10 -16.117 -3.393 -10.031 81 HA PRO 11 HA PRO 11 -16.411 -12.670 -4.519 82 HB2 PRO 11 2HB PRO 11 -13.947 -13.703 -4.748 83 HB3 PRO 11 3HB PRO 11 -15.149 -13.893 -6.028 84 HG2 PRO 11 2HG PRO 11 -12.807 -12.063 -5.886 85 HG3 PRO 11 3HG PRO 11 -13.499 -12.900 -7.287 86 HD2 PRO 11 2HD PRO 11 -13.930 -10.225 -6.596 87 HD3 PRO 11 3HD PRO 11 -14.908 -11.175 -7.728 88 H PHE 12 H PHE 12 -14.847 -9.824 -4.241 89 HA PHE 12 HA PHE 12 -14.314 -10.191 -1.430 90 HB2 PHE 12 2HB PHE 12 -12.015 -9.276 -1.558 91 HB3 PHE 12 3HB PHE 12 -12.153 -10.837 -2.355 92 HD1 PHE 12 HD2 PHE 12 -11.709 -7.225 -2.867 93 HD2 PHE 12 HD1 PHE 12 -11.833 -11.053 -4.721 94 HE1 PHE 12 HE2 PHE 12 -10.732 -6.261 -4.908 95 HE2 PHE 12 HE1 PHE 12 -10.848 -10.095 -6.765 96 HZ PHE 12 HZ PHE 12 -10.298 -7.700 -6.861 97 H THR 13 H THR 13 -13.813 -8.102 -0.377 98 HA THR 13 HA THR 13 -14.765 -5.782 -1.936 99 HB THR 13 HB THR 13 -15.202 -6.325 1.015 100 HG1 THR 13 HG1 THR 13 -17.007 -6.312 -1.197 101 HG21 THR 13 3HG2 THR 13 -16.590 -4.318 0.986 102 HG22 THR 13 1HG2 THR 13 -16.199 -4.056 -0.714 103 HG23 THR 13 2HG2 THR 13 -14.936 -3.934 0.511 104 H VAL 14 H VAL 14 -13.362 -4.112 -2.022 105 HA VAL 14 HA VAL 14 -10.912 -4.304 -0.451 106 HB VAL 14 HB VAL 14 -11.580 -2.335 -2.648 107 HG11 VAL 14 1HG1 VAL 14 -9.829 -1.562 -1.131 108 HG12 VAL 14 2HG1 VAL 14 -9.168 -1.949 -2.718 109 HG13 VAL 14 3HG1 VAL 14 -8.945 -3.069 -1.376 110 HG21 VAL 14 3HG2 VAL 14 -10.192 -3.741 -4.093 111 HG22 VAL 14 1HG2 VAL 14 -11.595 -4.624 -3.494 112 HG23 VAL 14 2HG2 VAL 14 -10.006 -4.904 -2.781 113 H GLU 15 H GLU 15 -11.263 -3.570 1.548 114 HA GLU 15 HA GLU 15 -12.431 -0.881 1.830 115 HB2 GLU 15 2HB GLU 15 -12.263 -3.180 3.783 116 HB3 GLU 15 3HB GLU 15 -12.771 -1.557 4.236 117 HG2 GLU 15 2HG GLU 15 -14.681 -1.684 2.797 118 HG3 GLU 15 3HG GLU 15 -14.126 -3.215 2.123 119 H SER 16 H SER 16 -11.130 0.711 2.440 120 HA SER 16 HA SER 16 -8.797 0.212 4.055 121 HB2 SER 16 2HB SER 16 -7.275 1.299 2.336 122 HB3 SER 16 3HB SER 16 -7.808 -0.338 1.953 123 HG SER 16 HG SER 16 -7.944 1.241 0.203 124 H MET 17 H MET 17 -7.634 2.277 4.521 125 HA MET 17 HA MET 17 -9.568 4.426 4.808 126 HB2 MET 17 2HB MET 17 -6.765 4.046 5.868 127 HB3 MET 17 3HB MET 17 -7.692 5.519 6.114 128 HG2 MET 17 2HG MET 17 -8.516 2.776 7.034 129 HG3 MET 17 3HG MET 17 -7.770 4.013 8.045 130 HE1 MET 17 3HE MET 17 -10.508 2.594 8.824 131 HE2 MET 17 1HE MET 17 -11.440 3.988 9.375 132 HE3 MET 17 2HE MET 17 -9.730 3.848 9.792 133 HA PRO 18 HA PRO 18 -7.995 6.515 1.181 134 HB2 PRO 18 2HB PRO 18 -9.324 8.858 2.396 135 HB3 PRO 18 3HB PRO 18 -9.578 8.120 0.812 136 HG2 PRO 18 2HG PRO 18 -11.384 7.874 2.775 137 HG3 PRO 18 3HG PRO 18 -11.065 6.553 1.634 138 HD2 PRO 18 2HD PRO 18 -10.125 6.890 4.457 139 HD3 PRO 18 3HD PRO 18 -10.683 5.424 3.623 140 H VAL 19 H VAL 19 -5.824 6.557 1.691 141 HA VAL 19 HA VAL 19 -4.870 8.415 3.710 142 HB VAL 19 HB VAL 19 -2.623 7.433 3.209 143 HG11 VAL 19 1HG1 VAL 19 -4.005 6.601 5.036 144 HG12 VAL 19 2HG1 VAL 19 -3.097 5.287 4.289 145 HG13 VAL 19 3HG1 VAL 19 -4.812 5.487 3.933 146 HG21 VAL 19 3HG2 VAL 19 -3.013 6.746 0.902 147 HG22 VAL 19 1HG2 VAL 19 -4.229 5.588 1.438 148 HG23 VAL 19 2HG2 VAL 19 -2.538 5.363 1.886 149 H ALA 20 H ALA 20 -5.770 8.826 0.644 150 HA ALA 20 HA ALA 20 -3.596 10.393 -0.350 151 HB1 ALA 20 3HB ALA 20 -5.237 9.448 -1.876 152 HB2 ALA 20 1HB ALA 20 -5.208 11.206 -2.009 153 HB3 ALA 20 2HB ALA 20 -6.514 10.411 -1.128 154 H ASP 21 H ASP 21 -3.094 11.634 1.481 155 HA ASP 21 HA ASP 21 -4.865 13.918 1.979 156 HB2 ASP 21 2HB ASP 21 -5.076 11.942 3.683 157 HB3 ASP 21 3HB ASP 21 -3.513 12.500 4.266 158 H GLU 22 H GLU 22 -3.276 14.935 4.092 159 HA GLU 22 HA GLU 22 -1.084 16.000 2.501 160 HB2 GLU 22 2HB GLU 22 -2.050 16.797 5.252 161 HB3 GLU 22 3HB GLU 22 -0.902 17.683 4.256 162 HG2 GLU 22 2HG GLU 22 -2.633 18.122 2.613 163 HG3 GLU 22 3HG GLU 22 -3.788 17.181 3.559 164 H ILE 23 H ILE 23 1.062 15.897 3.072 165 HA ILE 23 HA ILE 23 1.895 14.555 5.482 166 HB ILE 23 HB ILE 23 1.359 12.698 3.850 167 HG12 ILE 23 2HG1 ILE 23 4.269 12.913 4.656 168 HG13 ILE 23 3HG1 ILE 23 2.960 12.416 5.721 169 HG21 ILE 23 1HG2 ILE 23 2.040 13.798 1.803 170 HG22 ILE 23 2HG2 ILE 23 2.934 12.294 2.014 171 HG23 ILE 23 3HG2 ILE 23 3.715 13.838 2.355 172 HD11 ILE 23 3HD1 ILE 23 3.883 10.971 3.249 173 HD12 ILE 23 1HD1 ILE 23 2.541 10.480 4.285 174 HD13 ILE 23 2HD1 ILE 23 4.185 10.498 4.921 175 H ALA 24 H ALA 24 4.318 14.559 5.629 176 HA ALA 24 HA ALA 24 5.515 16.629 3.926 177 HB1 ALA 24 3HB ALA 24 5.796 16.453 6.928 178 HB2 ALA 24 1HB ALA 24 4.857 17.659 6.048 179 HB3 ALA 24 2HB ALA 24 6.611 17.612 5.877 180 H GLY 25 H GLY 25 7.984 16.683 4.368 181 HA2 GLY 25 2HA GLY 25 9.078 14.210 3.633 182 HA3 GLY 25 3HA GLY 25 9.993 15.601 4.197 183 H ASP 26 H ASP 26 9.676 12.497 4.734 184 HA ASP 26 HA ASP 26 10.468 11.130 6.351 185 HB2 ASP 26 2HB ASP 26 12.022 13.026 6.895 186 HB3 ASP 26 3HB ASP 26 10.859 13.558 8.104 187 H GLU 27 H GLU 27 7.650 12.642 6.376 188 HA GLU 27 HA GLU 27 6.757 11.898 9.028 189 HB2 GLU 27 2HB GLU 27 5.806 13.884 7.928 190 HB3 GLU 27 3HB GLU 27 5.183 12.874 6.632 191 HG2 GLU 27 2HG GLU 27 3.459 13.523 8.249 192 HG3 GLU 27 3HG GLU 27 3.673 11.775 8.156 193 H THR 28 H THR 28 5.113 10.316 9.421 194 HA THR 28 HA THR 28 5.175 8.111 7.458 195 HB THR 28 HB THR 28 5.089 7.830 10.467 196 HG1 THR 28 HG1 THR 28 7.132 8.541 9.041 197 HG21 THR 28 3HG2 THR 28 5.538 5.804 8.272 198 HG22 THR 28 1HG2 THR 28 4.088 5.953 9.265 199 HG23 THR 28 2HG2 THR 28 5.616 5.477 10.003 200 H VAL 29 H VAL 29 3.270 7.227 6.901 201 HA VAL 29 HA VAL 29 0.890 7.934 8.490 202 HB VAL 29 HB VAL 29 1.046 7.613 5.482 203 HG11 VAL 29 1HG1 VAL 29 -1.303 8.300 5.479 204 HG12 VAL 29 2HG1 VAL 29 -1.304 8.302 7.244 205 HG13 VAL 29 3HG1 VAL 29 -1.069 6.793 6.362 206 HG21 VAL 29 3HG2 VAL 29 0.569 10.061 7.179 207 HG22 VAL 29 1HG2 VAL 29 0.463 9.999 5.419 208 HG23 VAL 29 2HG2 VAL 29 2.008 9.714 6.220 209 H GLU 30 H GLU 30 -0.405 6.272 9.083 210 HA GLU 30 HA GLU 30 0.407 3.579 8.374 211 HB2 GLU 30 2HB GLU 30 -0.156 4.127 10.722 212 HB3 GLU 30 3HB GLU 30 -1.794 4.523 10.222 213 HG2 GLU 30 2HG GLU 30 -2.088 2.198 9.453 214 HG3 GLU 30 3HG GLU 30 -0.480 1.820 10.065 215 H ILE 31 H ILE 31 -0.396 2.615 6.659 216 HA ILE 31 HA ILE 31 -3.026 3.457 5.629 217 HB ILE 31 HB ILE 31 -0.924 1.892 4.128 218 HG12 ILE 31 2HG1 ILE 31 -1.369 4.884 4.017 219 HG13 ILE 31 3HG1 ILE 31 -0.028 4.110 4.854 220 HG21 ILE 31 1HG2 ILE 31 -2.158 2.764 2.157 221 HG22 ILE 31 2HG2 ILE 31 -3.344 3.461 3.261 222 HG23 ILE 31 3HG2 ILE 31 -3.126 1.712 3.191 223 HD11 ILE 31 3HD1 ILE 31 0.777 3.205 2.747 224 HD12 ILE 31 1HD1 ILE 31 0.632 4.959 2.671 225 HD13 ILE 31 2HD1 ILE 31 -0.583 3.941 1.902 226 H ARG 32 H ARG 32 -4.523 2.071 6.522 227 HA ARG 32 HA ARG 32 -3.814 -0.732 6.817 228 HB2 ARG 32 2HB ARG 32 -5.906 -1.007 8.006 229 HB3 ARG 32 3HB ARG 32 -5.040 0.378 8.640 230 HG2 ARG 32 2HG ARG 32 -7.130 1.245 8.547 231 HG3 ARG 32 3HG ARG 32 -6.575 1.668 6.928 232 HD2 ARG 32 2HD ARG 32 -8.854 0.707 6.947 233 HD3 ARG 32 3HD ARG 32 -7.715 -0.231 5.984 234 HE ARG 32 HE ARG 32 -7.649 -1.431 8.430 235 HH11 ARG 32 1HH1 ARG 32 -10.234 -0.626 6.214 236 HH12 ARG 32 2HH1 ARG 32 -11.220 -1.981 6.657 237 HH21 ARG 32 1HH2 ARG 32 -8.906 -3.233 8.990 238 HH22 ARG 32 2HH2 ARG 32 -10.439 -3.509 8.208 239 H LEU 33 H LEU 33 -4.447 -2.336 5.586 240 HA LEU 33 HA LEU 33 -6.356 -1.775 3.411 241 HB2 LEU 33 2HB LEU 33 -3.759 -3.265 3.399 242 HB3 LEU 33 3HB LEU 33 -5.038 -3.779 2.321 243 HG LEU 33 HG LEU 33 -3.515 -2.375 1.115 244 HD11 LEU 33 1HD1 LEU 33 -5.017 -0.634 0.318 245 HD12 LEU 33 2HD1 LEU 33 -6.051 -0.874 1.726 246 HD13 LEU 33 3HD1 LEU 33 -5.862 -2.165 0.539 247 HD21 LEU 33 3HD2 LEU 33 -3.118 -0.043 1.730 248 HD22 LEU 33 1HD2 LEU 33 -2.532 -1.156 2.966 249 HD23 LEU 33 2HD2 LEU 33 -4.042 -0.280 3.211 250 H GLU 34 H GLU 34 -8.086 -3.076 3.365 251 HA GLU 34 HA GLU 34 -7.834 -5.744 4.550 252 HB2 GLU 34 2HB GLU 34 -9.040 -4.000 6.050 253 HB3 GLU 34 3HB GLU 34 -10.357 -4.149 4.891 254 HG2 GLU 34 2HG GLU 34 -10.126 -6.684 5.321 255 HG3 GLU 34 3HG GLU 34 -9.246 -6.193 6.761 256 H ILE 35 H ILE 35 -8.119 -7.082 2.901 257 HA ILE 35 HA ILE 35 -10.129 -6.386 0.876 258 HB ILE 35 HB ILE 35 -8.110 -8.633 0.729 259 HG12 ILE 35 2HG1 ILE 35 -7.946 -5.867 -0.492 260 HG13 ILE 35 3HG1 ILE 35 -6.989 -6.427 0.877 261 HG21 ILE 35 1HG2 ILE 35 -10.057 -8.920 -0.702 262 HG22 ILE 35 2HG2 ILE 35 -8.627 -8.568 -1.672 263 HG23 ILE 35 3HG2 ILE 35 -9.823 -7.306 -1.374 264 HD11 ILE 35 3HD1 ILE 35 -5.948 -8.117 -0.559 265 HD12 ILE 35 1HD1 ILE 35 -5.691 -6.477 -1.163 266 HD13 ILE 35 2HD1 ILE 35 -6.890 -7.521 -1.927 267 H LYS 36 H LYS 36 -11.907 -6.879 2.151 268 HA LYS 36 HA LYS 36 -12.165 -9.251 3.669 269 HB2 LYS 36 2HB LYS 36 -13.464 -7.217 4.137 270 HB3 LYS 36 3HB LYS 36 -14.310 -7.398 2.606 271 HG2 LYS 36 2HG LYS 36 -15.252 -9.521 3.398 272 HG3 LYS 36 3HG LYS 36 -14.425 -9.298 4.939 273 HD2 LYS 36 2HD LYS 36 -16.327 -7.241 3.857 274 HD3 LYS 36 3HD LYS 36 -16.900 -8.629 4.777 275 HE2 LYS 36 2HE LYS 36 -16.672 -6.849 6.320 276 HE3 LYS 36 3HE LYS 36 -15.321 -7.939 6.609 277 HZ1 LYS 36 3HZ LYS 36 -13.817 -6.453 5.694 278 HZ2 LYS 36 1HZ LYS 36 -14.881 -5.443 6.533 279 HZ3 LYS 36 2HZ LYS 36 -15.011 -5.581 4.852 280 HA PRO 37 HA PRO 37 -12.921 -11.739 0.030 281 HB2 PRO 37 2HB PRO 37 -12.437 -14.129 1.155 282 HB3 PRO 37 3HB PRO 37 -11.134 -12.997 0.772 283 HG2 PRO 37 2HG PRO 37 -12.418 -13.593 3.397 284 HG3 PRO 37 3HG PRO 37 -10.713 -13.276 3.028 285 HD2 PRO 37 2HD PRO 37 -12.484 -11.415 4.064 286 HD3 PRO 37 3HD PRO 37 -10.988 -11.015 3.197 287 H SER 38 H SER 38 -14.876 -12.214 -0.689 288 HA SER 38 HA SER 38 -17.018 -13.010 1.074 289 HB2 SER 38 2HB SER 38 -17.383 -11.547 -0.921 290 HB3 SER 38 3HB SER 38 -16.945 -12.903 -1.958 291 HG SER 38 HG SER 38 -19.154 -12.848 -1.810 292 H GLY 39 H GLY 39 -14.877 -14.442 -1.298 293 HA2 GLY 39 2HA GLY 39 -15.502 -17.082 -0.183 294 HA3 GLY 39 3HA GLY 39 -15.562 -16.865 -1.927 295 H ASN 40 H ASN 40 -13.605 -17.631 0.701 296 HA ASN 40 HA ASN 40 -11.143 -17.036 -0.800 297 HB2 ASN 40 2HB ASN 40 -11.232 -16.148 1.500 298 HB3 ASN 40 3HB ASN 40 -11.500 -17.775 2.118 299 HD21 ASN 40 1HD2 ASN 40 -9.623 -17.493 3.412 300 HD22 ASN 40 2HD2 ASN 40 -8.046 -17.691 2.720 301 H PHE 41 H PHE 41 -10.513 -18.669 -2.039 302 HA PHE 41 HA PHE 41 -11.258 -21.402 -1.275 303 HB2 PHE 41 2HB PHE 41 -10.300 -20.347 -3.946 304 HB3 PHE 41 3HB PHE 41 -10.875 -21.979 -3.624 305 HD1 PHE 41 HD2 PHE 41 -13.293 -22.228 -2.801 306 HD2 PHE 41 HD1 PHE 41 -11.776 -18.688 -4.615 307 HE1 PHE 41 HE2 PHE 41 -15.587 -21.518 -3.331 308 HE2 PHE 41 HE1 PHE 41 -14.071 -17.970 -5.144 309 HZ PHE 41 HZ PHE 41 -15.980 -19.389 -4.503 310 H ILE 42 H ILE 42 -9.636 -23.102 -2.097 311 HA ILE 42 HA ILE 42 -7.089 -22.543 -0.888 312 HB ILE 42 HB ILE 42 -8.094 -24.736 -0.556 313 HG12 ILE 42 2HG1 ILE 42 -6.165 -26.164 -1.201 314 HG13 ILE 42 3HG1 ILE 42 -5.568 -24.855 -2.216 315 HG21 ILE 42 1HG2 ILE 42 -7.795 -25.125 -3.528 316 HG22 ILE 42 2HG2 ILE 42 -9.311 -24.945 -2.647 317 HG23 ILE 42 3HG2 ILE 42 -8.295 -26.360 -2.373 318 HD11 ILE 42 3HD1 ILE 42 -4.391 -24.919 -0.102 319 HD12 ILE 42 1HD1 ILE 42 -5.913 -24.768 0.772 320 HD13 ILE 42 2HD1 ILE 42 -5.341 -23.439 -0.234 321 H GLY 43 H GLY 43 -5.175 -22.166 -1.903 322 HA2 GLY 43 2HA GLY 43 -3.739 -22.093 -3.814 323 HA3 GLY 43 3HA GLY 43 -5.165 -22.155 -4.845 324 H THR 44 H THR 44 -6.466 -20.205 -2.976 325 HA THR 44 HA THR 44 -5.558 -17.770 -4.228 326 HB THR 44 HB THR 44 -7.626 -18.019 -2.036 327 HG1 THR 44 HG1 THR 44 -7.695 -18.929 -4.653 328 HG21 THR 44 3HG2 THR 44 -6.929 -15.747 -2.681 329 HG22 THR 44 1HG2 THR 44 -8.608 -16.066 -3.120 330 HG23 THR 44 2HG2 THR 44 -7.350 -16.105 -4.356 331 H VAL 45 H VAL 45 -3.482 -17.464 -3.392 332 HA VAL 45 HA VAL 45 -3.238 -17.336 -0.467 333 HB VAL 45 HB VAL 45 -1.726 -18.918 -1.587 334 HG11 VAL 45 1HG1 VAL 45 -0.592 -16.488 -2.961 335 HG12 VAL 45 2HG1 VAL 45 -1.452 -17.826 -3.724 336 HG13 VAL 45 3HG1 VAL 45 0.122 -18.099 -2.979 337 HG21 VAL 45 3HG2 VAL 45 -1.022 -17.908 0.506 338 HG22 VAL 45 1HG2 VAL 45 -0.309 -16.551 -0.367 339 HG23 VAL 45 2HG2 VAL 45 0.366 -18.168 -0.551 340 H TYR 46 H TYR 46 -2.914 -15.510 -3.392 341 HA TYR 46 HA TYR 46 -2.687 -13.316 -3.834 342 HB2 TYR 46 2HB TYR 46 -3.687 -13.311 -1.096 343 HB3 TYR 46 3HB TYR 46 -2.721 -11.885 -1.469 344 HD1 TYR 46 HD2 TYR 46 -5.409 -13.946 -3.067 345 HD2 TYR 46 HD1 TYR 46 -3.837 -10.068 -2.326 346 HE1 TYR 46 HE2 TYR 46 -7.315 -12.951 -4.261 347 HE2 TYR 46 HE1 TYR 46 -5.735 -9.060 -3.520 348 HH TYR 46 HH TYR 46 -8.486 -10.934 -4.515 349 H THR 47 H THR 47 -1.126 -11.815 -4.098 350 HA THR 47 HA THR 47 1.257 -11.974 -2.418 351 HB THR 47 HB THR 47 1.371 -12.091 -5.441 352 HG1 THR 47 HG1 THR 47 1.007 -14.040 -3.600 353 HG21 THR 47 3HG2 THR 47 3.536 -12.370 -3.348 354 HG22 THR 47 1HG2 THR 47 3.294 -10.972 -4.399 355 HG23 THR 47 2HG2 THR 47 3.758 -12.526 -5.091 356 H LEU 48 H LEU 48 2.158 -10.039 -2.041 357 HA LEU 48 HA LEU 48 0.965 -7.721 -3.401 358 HB2 LEU 48 2HB LEU 48 0.572 -7.903 -0.978 359 HB3 LEU 48 3HB LEU 48 2.297 -7.958 -0.694 360 HG LEU 48 HG LEU 48 1.017 -5.757 -0.257 361 HD11 LEU 48 1HD1 LEU 48 3.527 -5.764 -1.918 362 HD12 LEU 48 2HD1 LEU 48 3.430 -5.883 -0.161 363 HD13 LEU 48 3HD1 LEU 48 2.930 -4.400 -0.975 364 HD21 LEU 48 3HD2 LEU 48 1.344 -5.584 -3.237 365 HD22 LEU 48 1HD2 LEU 48 0.813 -4.284 -2.169 366 HD23 LEU 48 2HD2 LEU 48 -0.188 -5.723 -2.370 367 H ARG 49 H ARG 49 2.226 -6.758 -4.843 368 HA ARG 49 HA ARG 49 5.130 -6.755 -4.335 369 HB2 ARG 49 2HB ARG 49 4.423 -7.889 -6.464 370 HB3 ARG 49 3HB ARG 49 3.786 -6.344 -7.014 371 HG2 ARG 49 2HG ARG 49 5.969 -5.364 -7.010 372 HG3 ARG 49 3HG ARG 49 6.659 -6.784 -6.224 373 HD2 ARG 49 2HD ARG 49 7.243 -6.961 -8.499 374 HD3 ARG 49 3HD ARG 49 5.920 -8.098 -8.256 375 HE ARG 49 HE ARG 49 5.623 -5.445 -9.520 376 HH11 ARG 49 1HH1 ARG 49 4.720 -8.813 -9.182 377 HH12 ARG 49 2HH1 ARG 49 3.587 -8.779 -10.495 378 HH21 ARG 49 1HH2 ARG 49 4.157 -5.405 -11.281 379 HH22 ARG 49 2HH2 ARG 49 3.294 -6.860 -11.712 380 H TYR 50 H TYR 50 6.075 -4.863 -3.990 381 HA TYR 50 HA TYR 50 4.384 -2.476 -4.191 382 HB2 TYR 50 2HB TYR 50 5.108 -2.882 -1.929 383 HB3 TYR 50 3HB TYR 50 6.780 -3.081 -2.445 384 HD1 TYR 50 HD1 TYR 50 4.080 -0.492 -2.732 385 HD2 TYR 50 HD2 TYR 50 8.191 -1.319 -1.995 386 HE1 TYR 50 HE1 TYR 50 4.489 1.903 -2.355 387 HE2 TYR 50 HE2 TYR 50 8.608 1.074 -1.617 388 HH TYR 50 HH TYR 50 6.077 3.354 -1.267 389 H PHE 51 H PHE 51 4.978 -0.761 -5.366 390 HA PHE 51 HA PHE 51 7.688 -0.625 -6.476 391 HB2 PHE 51 2HB PHE 51 6.280 -1.726 -8.166 392 HB3 PHE 51 3HB PHE 51 5.133 -0.396 -8.086 393 HD1 PHE 51 HD2 PHE 51 8.681 -1.155 -8.884 394 HD2 PHE 51 HD1 PHE 51 5.340 1.402 -9.524 395 HE1 PHE 51 HE2 PHE 51 9.915 0.008 -10.664 396 HE2 PHE 51 HE1 PHE 51 6.570 2.567 -11.307 397 HZ PHE 51 HZ PHE 51 8.863 1.872 -11.879 398 H GLN 52 H GLN 52 8.404 1.493 -6.817 399 HA GLN 52 HA GLN 52 6.509 3.636 -6.191 400 HB2 GLN 52 2HB GLN 52 8.248 4.747 -4.790 401 HB3 GLN 52 3HB GLN 52 7.653 3.242 -4.109 402 HG2 GLN 52 2HG GLN 52 9.655 2.093 -4.954 403 HG3 GLN 52 3HG GLN 52 10.257 3.627 -5.572 404 HE21 GLN 52 1HE2 GLN 52 8.546 3.325 -2.544 405 HE22 GLN 52 2HE2 GLN 52 9.907 3.640 -1.523 406 HA PRO 53 HA PRO 53 8.727 5.117 -9.830 407 HB2 PRO 53 2HB PRO 53 6.428 6.678 -10.479 408 HB3 PRO 53 3HB PRO 53 6.980 5.196 -11.262 409 HG2 PRO 53 2HG PRO 53 4.655 5.453 -9.769 410 HG3 PRO 53 3HG PRO 53 5.459 3.923 -10.152 411 HD2 PRO 53 2HD PRO 53 5.529 5.529 -7.636 412 HD3 PRO 53 3HD PRO 53 5.564 3.766 -7.855 413 H ASP 54 H ASP 54 6.384 7.611 -9.092 414 HA ASP 54 HA ASP 54 8.568 9.335 -8.159 415 HB2 ASP 54 2HB ASP 54 5.854 10.037 -9.300 416 HB3 ASP 54 3HB ASP 54 6.959 11.223 -8.612 417 H GLY 55 H GLY 55 8.670 8.688 -6.084 418 HA2 GLY 55 2HA GLY 55 7.397 9.840 -4.036 419 HA3 GLY 55 3HA GLY 55 6.298 8.519 -4.432 420 H LYS 56 H LYS 56 9.302 9.404 -3.017 421 HA LYS 56 HA LYS 56 10.120 6.596 -2.786 422 HB2 LYS 56 2HB LYS 56 11.761 8.222 -3.691 423 HB3 LYS 56 3HB LYS 56 11.684 9.110 -2.176 424 HG2 LYS 56 2HG LYS 56 12.522 7.098 -1.004 425 HG3 LYS 56 3HG LYS 56 12.704 6.303 -2.568 426 HD2 LYS 56 2HD LYS 56 14.222 8.141 -3.265 427 HD3 LYS 56 3HD LYS 56 14.098 8.811 -1.638 428 HE2 LYS 56 2HE LYS 56 15.014 6.702 -0.738 429 HE3 LYS 56 3HE LYS 56 15.204 6.106 -2.386 430 HZ1 LYS 56 3HZ LYS 56 16.655 8.053 -2.810 431 HZ2 LYS 56 1HZ LYS 56 17.280 6.982 -1.651 432 HZ3 LYS 56 2HZ LYS 56 16.569 8.438 -1.161 433 H GLY 57 H GLY 57 10.100 5.566 -0.895 434 HA2 GLY 57 2HA GLY 57 10.374 6.822 1.615 435 HA3 GLY 57 3HA GLY 57 8.674 6.507 1.293 436 H SER 58 H SER 58 9.794 5.326 3.425 437 HA SER 58 HA SER 58 10.428 2.584 2.596 438 HB2 SER 58 2HB SER 58 10.585 3.833 5.352 439 HB3 SER 58 3HB SER 58 11.208 2.253 4.876 440 HG SER 58 HG SER 58 12.192 4.114 3.224 441 H LEU 59 H LEU 59 8.672 1.390 2.313 442 HA LEU 59 HA LEU 59 6.343 1.790 4.048 443 HB2 LEU 59 2HB LEU 59 6.082 1.825 1.553 444 HB3 LEU 59 3HB LEU 59 6.576 0.144 1.522 445 HG LEU 59 HG LEU 59 4.598 -0.432 2.905 446 HD11 LEU 59 1HD1 LEU 59 2.805 1.263 3.105 447 HD12 LEU 59 2HD1 LEU 59 3.935 2.480 2.514 448 HD13 LEU 59 3HD1 LEU 59 4.245 1.658 4.042 449 HD21 LEU 59 3HD2 LEU 59 4.513 -0.620 0.474 450 HD22 LEU 59 1HD2 LEU 59 3.981 1.060 0.358 451 HD23 LEU 59 2HD2 LEU 59 2.948 -0.142 1.135 452 H LYS 60 H LYS 60 6.519 0.606 5.851 453 HA LYS 60 HA LYS 60 7.541 -2.144 5.601 454 HB2 LYS 60 2HB LYS 60 8.175 -1.976 7.979 455 HB3 LYS 60 3HB LYS 60 8.989 -0.776 6.987 456 HG2 LYS 60 2HG LYS 60 7.339 0.907 7.731 457 HG3 LYS 60 3HG LYS 60 6.624 -0.309 8.791 458 HD2 LYS 60 2HD LYS 60 8.789 -0.539 9.948 459 HD3 LYS 60 3HD LYS 60 9.456 0.726 8.914 460 HE2 LYS 60 2HE LYS 60 8.835 1.681 11.035 461 HE3 LYS 60 3HE LYS 60 7.749 2.287 9.784 462 HZ1 LYS 60 3HZ LYS 60 7.154 0.140 11.752 463 HZ2 LYS 60 1HZ LYS 60 6.121 0.615 10.499 464 HZ3 LYS 60 2HZ LYS 60 6.501 1.705 11.735 465 H MET 61 H MET 61 6.475 -3.813 6.675 466 HA MET 61 HA MET 61 3.672 -3.262 7.285 467 HB2 MET 61 2HB MET 61 5.161 -5.878 6.972 468 HB3 MET 61 3HB MET 61 3.438 -5.737 7.289 469 HG2 MET 61 2HG MET 61 3.173 -4.521 5.167 470 HG3 MET 61 3HG MET 61 4.891 -4.754 4.845 471 HE1 MET 61 3HE MET 61 5.103 -8.670 4.528 472 HE2 MET 61 1HE MET 61 5.301 -7.742 6.016 473 HE3 MET 61 2HE MET 61 6.008 -7.155 4.511 474 H GLU 62 H GLU 62 2.876 -4.978 9.104 475 HA GLU 62 HA GLU 62 3.899 -3.881 11.527 476 HB2 GLU 62 2HB GLU 62 1.957 -6.155 11.090 477 HB3 GLU 62 3HB GLU 62 2.273 -5.384 12.638 478 HG2 GLU 62 2HG GLU 62 1.455 -3.257 11.725 479 HG3 GLU 62 3HG GLU 62 1.095 -4.067 10.199 480 H ASP 63 H ASP 63 4.558 -6.743 9.709 481 HA ASP 63 HA ASP 63 5.859 -8.249 11.726 482 HB2 ASP 63 2HB ASP 63 6.123 -8.206 8.726 483 HB3 ASP 63 3HB ASP 63 7.112 -9.261 9.725 484 H GLY 64 H GLY 64 6.672 -5.336 10.245 485 HA2 GLY 64 2HA GLY 64 8.544 -4.005 10.748 486 HA3 GLY 64 3HA GLY 64 9.389 -5.440 11.316 487 H THR 65 H THR 65 8.133 -6.568 8.671 488 HA THR 65 HA THR 65 10.507 -6.472 7.138 489 HB THR 65 HB THR 65 7.783 -7.301 6.137 490 HG1 THR 65 HG1 THR 65 8.256 -9.359 7.069 491 HG21 THR 65 3HG2 THR 65 9.081 -8.926 4.836 492 HG22 THR 65 1HG2 THR 65 10.571 -8.291 5.531 493 HG23 THR 65 2HG2 THR 65 9.583 -7.274 4.482 494 H VAL 66 H VAL 66 11.150 -4.683 6.081 495 HA VAL 66 HA VAL 66 9.274 -2.737 5.084 496 HB VAL 66 HB VAL 66 12.252 -2.939 4.588 497 HG11 VAL 66 1HG1 VAL 66 12.107 -0.553 4.042 498 HG12 VAL 66 2HG1 VAL 66 10.356 -0.615 4.252 499 HG13 VAL 66 3HG1 VAL 66 11.120 -1.528 2.950 500 HG21 VAL 66 3HG2 VAL 66 12.475 -1.262 6.371 501 HG22 VAL 66 1HG2 VAL 66 11.778 -2.768 6.971 502 HG23 VAL 66 2HG2 VAL 66 10.741 -1.373 6.677 503 H LEU 67 H LEU 67 8.455 -2.594 3.094 504 HA LEU 67 HA LEU 67 8.731 -4.840 1.340 505 HB2 LEU 67 2HB LEU 67 7.252 -2.239 0.935 506 HB3 LEU 67 3HB LEU 67 7.065 -3.690 -0.032 507 HG LEU 67 HG LEU 67 6.362 -3.435 2.896 508 HD11 LEU 67 1HD1 LEU 67 4.052 -3.604 2.140 509 HD12 LEU 67 2HD1 LEU 67 4.597 -3.618 0.462 510 HD13 LEU 67 3HD1 LEU 67 4.847 -2.184 1.460 511 HD21 LEU 67 3HD2 LEU 67 5.939 -5.722 0.972 512 HD22 LEU 67 1HD2 LEU 67 5.365 -5.645 2.640 513 HD23 LEU 67 2HD2 LEU 67 7.096 -5.690 2.304 514 H LYS 68 H LYS 68 9.491 -4.852 -0.762 515 HA LYS 68 HA LYS 68 11.525 -2.807 -1.319 516 HB2 LYS 68 2HB LYS 68 12.370 -5.083 -0.898 517 HB3 LYS 68 3HB LYS 68 11.357 -5.703 -2.192 518 HG2 LYS 68 2HG LYS 68 13.627 -5.512 -2.941 519 HG3 LYS 68 3HG LYS 68 12.627 -4.340 -3.798 520 HD2 LYS 68 2HD LYS 68 13.424 -2.560 -2.394 521 HD3 LYS 68 3HD LYS 68 14.312 -3.701 -1.382 522 HE2 LYS 68 2HE LYS 68 14.825 -3.202 -4.310 523 HE3 LYS 68 3HE LYS 68 15.763 -2.515 -2.984 524 HZ1 LYS 68 3HZ LYS 68 15.512 -5.392 -3.682 525 HZ2 LYS 68 1HZ LYS 68 16.285 -4.815 -2.290 526 HZ3 LYS 68 2HZ LYS 68 16.899 -4.429 -3.820 527 HA PRO 69 HA PRO 69 8.899 -1.667 -4.753 528 HB2 PRO 69 2HB PRO 69 10.678 -0.018 -5.996 529 HB3 PRO 69 3HB PRO 69 9.742 0.446 -4.572 530 HG2 PRO 69 2HG PRO 69 12.573 -0.507 -4.746 531 HG3 PRO 69 3HG PRO 69 11.891 0.811 -3.773 532 HD2 PRO 69 2HD PRO 69 12.449 -1.604 -2.718 533 HD3 PRO 69 3HD PRO 69 11.076 -0.627 -2.165 534 H ASN 70 H ASN 70 9.344 -4.048 -5.329 535 HA ASN 70 HA ASN 70 9.561 -4.512 -7.957 536 HB2 ASN 70 2HB ASN 70 11.799 -5.274 -8.507 537 HB3 ASN 70 3HB ASN 70 11.890 -3.612 -7.939 538 HD21 ASN 70 1HD2 ASN 70 12.659 -6.930 -7.254 539 HD22 ASN 70 2HD2 ASN 70 13.740 -6.619 -5.935 540 H ASP 71 H ASP 71 10.080 -5.567 -4.743 541 HA ASP 71 HA ASP 71 10.325 -8.376 -5.490 542 HB2 ASP 71 2HB ASP 71 11.700 -7.179 -3.644 543 HB3 ASP 71 3HB ASP 71 10.243 -7.339 -2.666 544 H ARG 72 H ARG 72 8.955 -9.996 -4.468 545 HA ARG 72 HA ARG 72 6.195 -8.997 -4.226 546 HB2 ARG 72 2HB ARG 72 7.090 -11.759 -5.070 547 HB3 ARG 72 3HB ARG 72 5.458 -11.111 -5.134 548 HG2 ARG 72 2HG ARG 72 6.176 -9.486 -6.812 549 HG3 ARG 72 3HG ARG 72 7.806 -10.154 -6.755 550 HD2 ARG 72 2HD ARG 72 6.791 -12.368 -7.414 551 HD3 ARG 72 3HD ARG 72 5.286 -11.496 -7.710 552 HE ARG 72 HE ARG 72 7.707 -10.562 -9.071 553 HH11 ARG 72 1HH1 ARG 72 4.598 -12.183 -9.238 554 HH12 ARG 72 2HH1 ARG 72 4.543 -12.160 -10.976 555 HH21 ARG 72 1HH2 ARG 72 7.635 -10.564 -11.363 556 HH22 ARG 72 2HH2 ARG 72 6.258 -11.246 -12.177 557 H TYR 73 H TYR 73 5.107 -9.397 -2.427 558 HA TYR 73 HA TYR 73 6.234 -11.291 -0.459 559 HB2 TYR 73 2HB TYR 73 4.845 -8.629 -0.043 560 HB3 TYR 73 3HB TYR 73 5.176 -9.770 1.259 561 HD1 TYR 73 HD2 TYR 73 6.740 -7.508 -1.211 562 HD2 TYR 73 HD1 TYR 73 7.353 -9.963 2.207 563 HE1 TYR 73 HE2 TYR 73 8.968 -6.521 -0.907 564 HE2 TYR 73 HE1 TYR 73 9.581 -8.976 2.525 565 HH TYR 73 HH TYR 73 10.587 -6.165 1.000 566 H LEU 74 H LEU 74 4.909 -13.065 -0.440 567 HA LEU 74 HA LEU 74 2.155 -12.787 -1.183 568 HB2 LEU 74 2HB LEU 74 1.952 -15.099 -1.091 569 HB3 LEU 74 3HB LEU 74 3.595 -14.833 -1.625 570 HG LEU 74 HG LEU 74 2.904 -15.426 1.245 571 HD11 LEU 74 1HD1 LEU 74 3.467 -17.750 0.765 572 HD12 LEU 74 2HD1 LEU 74 3.667 -17.356 -0.943 573 HD13 LEU 74 3HD1 LEU 74 2.076 -17.227 -0.189 574 HD21 LEU 74 3HD2 LEU 74 5.117 -14.433 0.828 575 HD22 LEU 74 1HD2 LEU 74 5.469 -15.722 -0.323 576 HD23 LEU 74 2HD2 LEU 74 5.240 -16.102 1.382 577 H LEU 75 H LEU 75 0.408 -12.610 0.043 578 HA LEU 75 HA LEU 75 0.762 -12.642 2.965 579 HB2 LEU 75 2HB LEU 75 -0.822 -10.629 1.355 580 HB3 LEU 75 3HB LEU 75 -0.737 -10.695 3.105 581 HG LEU 75 HG LEU 75 1.617 -10.144 1.295 582 HD11 LEU 75 1HD1 LEU 75 1.439 -7.833 2.174 583 HD12 LEU 75 2HD1 LEU 75 -0.109 -8.265 2.901 584 HD13 LEU 75 3HD1 LEU 75 0.084 -8.305 1.147 585 HD21 LEU 75 3HD2 LEU 75 2.725 -9.468 3.382 586 HD22 LEU 75 1HD2 LEU 75 2.280 -11.175 3.379 587 HD23 LEU 75 2HD2 LEU 75 1.317 -10.013 4.291 588 H ASN 76 H ASN 76 -0.371 -14.390 3.563 589 HA ASN 76 HA ASN 76 -2.584 -15.341 1.991 590 HB2 ASN 76 2HB ASN 76 -0.962 -16.863 3.137 591 HB3 ASN 76 3HB ASN 76 -1.629 -16.345 4.682 592 HD21 ASN 76 1HD2 ASN 76 -3.548 -16.817 1.792 593 HD22 ASN 76 2HD2 ASN 76 -4.420 -18.199 2.366 594 H GLU 77 H GLU 77 -2.178 -13.473 4.897 595 HA GLU 77 HA GLU 77 -4.988 -13.665 5.587 596 HB2 GLU 77 2HB GLU 77 -3.234 -13.459 7.355 597 HB3 GLU 77 3HB GLU 77 -2.871 -11.845 6.756 598 HG2 GLU 77 2HG GLU 77 -5.037 -11.053 7.360 599 HG3 GLU 77 3HG GLU 77 -5.581 -12.682 7.751 600 H TRP 78 H TRP 78 -6.525 -12.189 5.124 601 HA TRP 78 HA TRP 78 -5.908 -10.476 2.876 602 HB2 TRP 78 2HB TRP 78 -8.530 -11.181 4.207 603 HB3 TRP 78 3HB TRP 78 -8.383 -10.217 2.742 604 HD1 TRP 78 HD1 TRP 78 -7.357 -13.786 3.922 605 HE1 TRP 78 HE1 TRP 78 -7.652 -15.386 1.930 606 HE3 TRP 78 HE3 TRP 78 -8.825 -10.411 0.364 607 HZ2 TRP 78 HZ2 TRP 78 -8.409 -15.245 -0.773 608 HZ3 TRP 78 HZ3 TRP 78 -9.322 -11.233 -1.901 609 HH2 TRP 78 HH2 TRP 78 -9.118 -13.601 -2.457 610 H LYS 79 H LYS 79 -5.697 -9.972 6.082 611 HA LYS 79 HA LYS 79 -6.467 -7.133 5.834 612 HB2 LYS 79 2HB LYS 79 -6.458 -8.761 8.386 613 HB3 LYS 79 3HB LYS 79 -6.981 -7.094 8.204 614 HG2 LYS 79 2HG LYS 79 -8.787 -7.923 6.683 615 HG3 LYS 79 3HG LYS 79 -8.323 -9.561 7.140 616 HD2 LYS 79 2HD LYS 79 -8.797 -9.073 9.471 617 HD3 LYS 79 3HD LYS 79 -9.195 -7.405 9.063 618 HE2 LYS 79 2HE LYS 79 -11.016 -8.296 7.587 619 HE3 LYS 79 3HE LYS 79 -10.673 -9.898 8.234 620 HZ1 LYS 79 3HZ LYS 79 -11.227 -9.101 10.443 621 HZ2 LYS 79 1HZ LYS 79 -12.523 -8.836 9.379 622 HZ3 LYS 79 2HZ LYS 79 -11.524 -7.545 9.838 623 H PHE 80 H PHE 80 -4.829 -5.682 6.232 624 HA PHE 80 HA PHE 80 -2.693 -6.320 8.032 625 HB2 PHE 80 2HB PHE 80 -0.842 -6.203 6.399 626 HB3 PHE 80 3HB PHE 80 -1.868 -7.608 6.154 627 HD1 PHE 80 HD2 PHE 80 -3.388 -7.711 4.211 628 HD2 PHE 80 HD1 PHE 80 -0.634 -4.506 4.741 629 HE1 PHE 80 HE2 PHE 80 -3.653 -7.095 1.841 630 HE2 PHE 80 HE1 PHE 80 -0.891 -3.893 2.374 631 HZ PHE 80 HZ PHE 80 -2.400 -5.185 0.920 632 H ARG 81 H ARG 81 -1.100 -4.614 8.243 633 HA ARG 81 HA ARG 81 -2.130 -1.982 7.409 634 HB2 ARG 81 2HB ARG 81 -0.578 -2.810 9.857 635 HB3 ARG 81 3HB ARG 81 -0.728 -1.134 9.356 636 HG2 ARG 81 2HG ARG 81 -3.143 -1.256 9.629 637 HG3 ARG 81 3HG ARG 81 -3.011 -2.957 10.095 638 HD2 ARG 81 2HD ARG 81 -1.690 -2.361 12.032 639 HD3 ARG 81 3HD ARG 81 -1.677 -0.669 11.540 640 HE ARG 81 HE ARG 81 -4.079 -0.635 11.983 641 HH11 ARG 81 1HH1 ARG 81 -2.220 -3.291 13.321 642 HH12 ARG 81 2HH1 ARG 81 -3.328 -3.563 14.635 643 HH21 ARG 81 1HH2 ARG 81 -5.517 -0.971 13.717 644 HH22 ARG 81 2HH2 ARG 81 -5.203 -2.228 14.875 645 H LEU 82 H LEU 82 -0.725 -0.508 6.533 646 HA LEU 82 HA LEU 82 2.063 -1.379 6.136 647 HB2 LEU 82 2HB LEU 82 0.358 0.321 4.306 648 HB3 LEU 82 3HB LEU 82 2.044 -0.074 4.049 649 HG LEU 82 HG LEU 82 -0.199 -2.090 4.105 650 HD11 LEU 82 1HD1 LEU 82 -0.362 -0.601 2.177 651 HD12 LEU 82 2HD1 LEU 82 0.133 -2.223 1.691 652 HD13 LEU 82 3HD1 LEU 82 1.325 -0.926 1.778 653 HD21 LEU 82 3HD2 LEU 82 1.499 -3.611 3.193 654 HD22 LEU 82 1HD2 LEU 82 1.934 -3.027 4.801 655 HD23 LEU 82 2HD2 LEU 82 2.716 -2.346 3.374 656 H TYR 83 H TYR 83 3.647 0.101 6.644 657 HA TYR 83 HA TYR 83 2.715 2.722 7.623 658 HB2 TYR 83 2HB TYR 83 5.023 1.008 8.568 659 HB3 TYR 83 3HB TYR 83 4.778 2.679 9.071 660 HD1 TYR 83 HD1 TYR 83 3.527 -0.762 9.361 661 HD2 TYR 83 HD2 TYR 83 2.993 3.282 10.574 662 HE1 TYR 83 HE1 TYR 83 2.019 -1.506 11.159 663 HE2 TYR 83 HE2 TYR 83 1.487 2.551 12.372 664 HH TYR 83 HH TYR 83 0.002 0.622 12.848 665 H TYR 84 H TYR 84 3.223 4.285 6.240 666 HA TYR 84 HA TYR 84 5.566 3.897 4.510 667 HB2 TYR 84 2HB TYR 84 3.430 4.072 3.329 668 HB3 TYR 84 3HB TYR 84 3.115 5.622 4.100 669 HD1 TYR 84 HD1 TYR 84 5.664 3.949 1.947 670 HD2 TYR 84 HD2 TYR 84 3.662 7.561 2.964 671 HE1 TYR 84 HE1 TYR 84 6.799 5.092 0.089 672 HE2 TYR 84 HE2 TYR 84 4.786 8.714 1.108 673 HH TYR 84 HH TYR 84 6.780 8.490 -0.257 674 H THR 85 H THR 85 7.293 4.942 5.211 675 HA THR 85 HA THR 85 6.996 7.645 6.326 676 HB THR 85 HB THR 85 9.458 5.884 6.290 677 HG1 THR 85 HG1 THR 85 7.748 6.396 8.512 678 HG21 THR 85 3HG2 THR 85 9.942 8.275 6.526 679 HG22 THR 85 1HG2 THR 85 10.277 7.412 8.026 680 HG23 THR 85 2HG2 THR 85 8.810 8.379 7.874 681 H SER 86 H SER 86 7.050 9.153 4.749 682 HA SER 86 HA SER 86 8.171 8.748 2.196 683 HB2 SER 86 2HB SER 86 7.444 11.337 3.586 684 HB3 SER 86 3HB SER 86 7.787 11.171 1.865 685 HG SER 86 HG SER 86 5.530 11.110 2.380 686 H GLN 87 H GLN 87 10.177 8.892 1.484 687 HA GLN 87 HA GLN 87 12.189 10.199 3.176 688 HB2 GLN 87 2HB GLN 87 12.483 8.209 0.919 689 HB3 GLN 87 3HB GLN 87 13.834 8.968 1.749 690 HG2 GLN 87 2HG GLN 87 13.144 7.954 3.845 691 HG3 GLN 87 3HG GLN 87 11.753 7.227 3.046 692 HE21 GLN 87 1HE2 GLN 87 15.204 7.158 3.412 693 HE22 GLN 87 2HE2 GLN 87 15.453 5.603 2.699 694 H SER 88 H SER 88 10.566 10.354 0.111 695 HA SER 88 HA SER 88 12.363 12.405 -0.895 696 HB2 SER 88 2HB SER 88 10.771 12.450 -2.840 697 HB3 SER 88 3HB SER 88 11.492 10.867 -2.543 698 HG SER 88 HG SER 88 8.949 11.669 -1.566 699 H ASP 89 H ASP 89 12.154 14.447 -0.345 700 HA ASP 89 HA ASP 89 9.930 15.448 1.142 701 HB2 ASP 89 2HB ASP 89 11.137 17.552 1.144 702 HB3 ASP 89 3HB ASP 89 12.294 16.245 1.386 703 H LYS 90 H LYS 90 10.701 15.169 -2.150 704 HA LYS 90 HA LYS 90 9.386 17.260 -3.387 705 HB2 LYS 90 2HB LYS 90 9.492 14.379 -4.312 706 HB3 LYS 90 3HB LYS 90 9.250 15.795 -5.330 707 HG2 LYS 90 2HG LYS 90 11.732 15.336 -3.691 708 HG3 LYS 90 3HG LYS 90 11.558 14.827 -5.372 709 HD2 LYS 90 2HD LYS 90 11.313 17.074 -6.113 710 HD3 LYS 90 3HD LYS 90 11.147 17.665 -4.458 711 HE2 LYS 90 2HE LYS 90 13.633 16.262 -5.387 712 HE3 LYS 90 3HE LYS 90 13.403 17.992 -5.639 713 HZ1 LYS 90 3HZ LYS 90 13.270 18.352 -3.315 714 HZ2 LYS 90 1HZ LYS 90 14.635 17.381 -3.571 715 HZ3 LYS 90 2HZ LYS 90 13.207 16.696 -2.966 716 H GLU 91 H GLU 91 7.342 17.895 -3.321 717 HA GLU 91 HA GLU 91 5.405 16.407 -1.867 718 HB2 GLU 91 2HB GLU 91 5.133 18.949 -3.463 719 HB3 GLU 91 3HB GLU 91 3.876 18.279 -2.431 720 HG2 GLU 91 2HG GLU 91 5.432 18.460 -0.509 721 HG3 GLU 91 3HG GLU 91 6.585 19.266 -1.573 722 H ALA 92 H ALA 92 5.405 14.496 -3.164 723 HA ALA 92 HA ALA 92 3.017 14.112 -4.496 724 HB1 ALA 92 3HB ALA 92 5.314 14.300 -6.453 725 HB2 ALA 92 1HB ALA 92 3.957 15.422 -6.349 726 HB3 ALA 92 2HB ALA 92 3.680 13.746 -6.818 727 H GLN 93 H GLN 93 3.262 12.384 -2.959 728 HA GLN 93 HA GLN 93 5.200 10.321 -3.746 729 HB2 GLN 93 2HB GLN 93 3.459 10.489 -1.276 730 HB3 GLN 93 3HB GLN 93 4.573 9.181 -1.637 731 HG2 GLN 93 2HG GLN 93 5.720 10.498 -0.112 732 HG3 GLN 93 3HG GLN 93 6.392 10.964 -1.672 733 HE21 GLN 93 1HE2 GLN 93 7.090 12.922 -0.747 734 HE22 GLN 93 2HE2 GLN 93 5.993 14.226 -0.446 735 H THR 94 H THR 94 4.327 9.291 -5.467 736 HA THR 94 HA THR 94 1.650 8.122 -5.097 737 HB THR 94 HB THR 94 3.221 8.436 -7.670 738 HG1 THR 94 HG1 THR 94 0.819 9.822 -7.058 739 HG21 THR 94 3HG2 THR 94 1.679 6.526 -7.690 740 HG22 THR 94 1HG2 THR 94 1.127 7.807 -8.769 741 HG23 THR 94 2HG2 THR 94 0.360 7.589 -7.197 742 H ILE 95 H ILE 95 1.645 6.064 -4.488 743 HA ILE 95 HA ILE 95 3.982 4.404 -5.179 744 HB ILE 95 HB ILE 95 3.437 3.037 -3.181 745 HG12 ILE 95 2HG1 ILE 95 1.498 5.283 -2.560 746 HG13 ILE 95 3HG1 ILE 95 1.055 3.633 -2.984 747 HG21 ILE 95 1HG2 ILE 95 3.978 5.956 -2.665 748 HG22 ILE 95 2HG2 ILE 95 5.170 4.720 -3.068 749 HG23 ILE 95 3HG2 ILE 95 4.303 4.643 -1.532 750 HD11 ILE 95 3HD1 ILE 95 2.128 2.818 -0.952 751 HD12 ILE 95 1HD1 ILE 95 0.875 4.010 -0.593 752 HD13 ILE 95 2HD1 ILE 95 2.577 4.469 -0.527 753 H ASP 96 H ASP 96 3.672 2.337 -5.910 754 HA ASP 96 HA ASP 96 0.958 1.754 -6.883 755 HB2 ASP 96 2HB ASP 96 3.698 1.133 -7.951 756 HB3 ASP 96 3HB ASP 96 2.328 0.134 -8.417 757 H LEU 97 H LEU 97 -0.059 0.337 -5.630 758 HA LEU 97 HA LEU 97 1.463 -1.882 -4.456 759 HB2 LEU 97 2HB LEU 97 -1.364 -0.958 -3.917 760 HB3 LEU 97 3HB LEU 97 -0.561 -2.290 -3.106 761 HG LEU 97 HG LEU 97 0.283 0.603 -2.962 762 HD11 LEU 97 1HD1 LEU 97 -0.523 0.534 -0.682 763 HD12 LEU 97 2HD1 LEU 97 -1.038 -1.138 -0.891 764 HD13 LEU 97 3HD1 LEU 97 -1.830 0.148 -1.801 765 HD21 LEU 97 3HD2 LEU 97 1.304 -1.820 -1.483 766 HD22 LEU 97 1HD2 LEU 97 1.814 -0.151 -1.218 767 HD23 LEU 97 2HD2 LEU 97 2.166 -0.948 -2.752 768 H TYR 98 H TYR 98 1.588 -3.584 -5.750 769 HA TYR 98 HA TYR 98 -0.654 -4.161 -7.549 770 HB2 TYR 98 2HB TYR 98 2.159 -5.282 -7.530 771 HB3 TYR 98 3HB TYR 98 0.917 -5.660 -8.720 772 HD1 TYR 98 HD1 TYR 98 -0.075 -3.617 -10.006 773 HD2 TYR 98 HD2 TYR 98 3.646 -3.565 -7.952 774 HE1 TYR 98 HE1 TYR 98 0.639 -1.694 -11.365 775 HE2 TYR 98 HE2 TYR 98 4.372 -1.641 -9.298 776 HH TYR 98 HH TYR 98 2.375 0.280 -11.007 777 H PHE 99 H PHE 99 -2.132 -5.461 -6.712 778 HA PHE 99 HA PHE 99 -1.296 -7.617 -4.912 779 HB2 PHE 99 2HB PHE 99 -4.070 -6.619 -5.604 780 HB3 PHE 99 3HB PHE 99 -3.696 -7.861 -4.415 781 HD1 PHE 99 HD1 PHE 99 -2.526 -7.257 -2.326 782 HD2 PHE 99 HD2 PHE 99 -3.858 -4.309 -5.093 783 HE1 PHE 99 HE1 PHE 99 -2.311 -5.531 -0.586 784 HE2 PHE 99 HE2 PHE 99 -3.642 -2.579 -3.359 785 HZ PHE 99 HZ PHE 99 -2.870 -3.189 -1.103 786 H GLU 100 H GLU 100 -0.834 -9.459 -5.866 787 HA GLU 100 HA GLU 100 -2.338 -10.242 -8.283 788 HB2 GLU 100 2HB GLU 100 0.341 -11.334 -7.414 789 HB3 GLU 100 3HB GLU 100 -0.441 -11.521 -8.977 790 HG2 GLU 100 2HG GLU 100 -0.129 -9.150 -9.426 791 HG3 GLU 100 3HG GLU 100 0.650 -8.951 -7.857 792 H ASP 101 H ASP 101 -2.815 -12.581 -8.444 793 HA ASP 101 HA ASP 101 -2.239 -14.122 -6.038 794 HB2 ASP 101 2HB ASP 101 -4.508 -13.293 -5.642 795 HB3 ASP 101 3HB ASP 101 -5.028 -13.942 -7.196 796 H ASN 102 H ASN 102 -2.319 -16.382 -6.335 797 HA ASN 102 HA ASN 102 -1.378 -17.161 -8.945 798 HB2 ASN 102 2HB ASN 102 -0.372 -17.970 -6.803 799 HB3 ASN 102 3HB ASN 102 -1.864 -18.842 -6.474 800 HD21 ASN 102 1HD2 ASN 102 -0.322 -18.524 -9.620 801 HD22 ASN 102 2HD2 ASN 102 0.085 -20.194 -9.786 802 H TRP 103 H TRP 103 -4.329 -17.265 -7.191 803 HA TRP 103 HA TRP 103 -5.462 -19.318 -8.959 804 HB2 TRP 103 2HB TRP 103 -5.673 -19.782 -6.589 805 HB3 TRP 103 3HB TRP 103 -6.374 -18.196 -6.302 806 HD1 TRP 103 HD1 TRP 103 -8.935 -17.849 -6.969 807 HE1 TRP 103 HE1 TRP 103 -10.849 -19.526 -7.354 808 HE3 TRP 103 HE3 TRP 103 -6.169 -22.112 -7.510 809 HZ2 TRP 103 HZ2 TRP 103 -11.143 -22.296 -7.816 810 HZ3 TRP 103 HZ3 TRP 103 -7.344 -24.233 -7.915 811 HH2 TRP 103 HH2 TRP 103 -9.779 -24.323 -8.064 812 H GLY 104 H GLY 104 -6.098 -16.072 -7.659 813 HA2 GLY 104 2HA GLY 104 -8.450 -15.821 -9.356 814 HA3 GLY 104 3HA GLY 104 -7.943 -14.700 -8.106 815 H ASN 105 H ASN 105 -6.951 -12.856 -8.704 816 HA ASN 105 HA ASN 105 -6.295 -12.558 -11.552 817 HB2 ASN 105 2HB ASN 105 -7.660 -10.532 -11.680 818 HB3 ASN 105 3HB ASN 105 -8.646 -11.918 -11.229 819 HD21 ASN 105 1HD2 ASN 105 -8.989 -8.996 -10.809 820 HD22 ASN 105 2HD2 ASN 105 -9.242 -8.811 -9.109 821 H LEU 106 H LEU 106 -5.991 -9.840 -11.622 822 HA LEU 106 HA LEU 106 -3.928 -9.209 -9.616 823 HB2 LEU 106 2HB LEU 106 -2.726 -9.716 -11.601 824 HB3 LEU 106 3HB LEU 106 -3.875 -8.861 -12.607 825 HG LEU 106 HG LEU 106 -3.092 -6.717 -11.627 826 HD11 LEU 106 1HD1 LEU 106 -0.952 -8.412 -10.357 827 HD12 LEU 106 2HD1 LEU 106 -2.268 -7.611 -9.497 828 HD13 LEU 106 3HD1 LEU 106 -1.047 -6.651 -10.333 829 HD21 LEU 106 3HD2 LEU 106 -2.195 -7.464 -13.743 830 HD22 LEU 106 1HD2 LEU 106 -0.986 -8.445 -12.913 831 HD23 LEU 106 2HD2 LEU 106 -0.926 -6.688 -12.795 832 H GLN 107 H GLN 107 -4.283 -7.337 -8.579 833 HA GLN 107 HA GLN 107 -5.831 -5.246 -9.953 834 HB2 GLN 107 2HB GLN 107 -7.318 -6.335 -8.342 835 HB3 GLN 107 3HB GLN 107 -6.140 -6.074 -7.062 836 HG2 GLN 107 2HG GLN 107 -6.411 -3.677 -7.252 837 HG3 GLN 107 3HG GLN 107 -7.523 -3.886 -8.604 838 HE21 GLN 107 1HE2 GLN 107 -9.613 -4.562 -8.211 839 HE22 GLN 107 2HE2 GLN 107 -10.299 -4.571 -6.623 840 H GLN 108 H GLN 108 -4.841 -3.341 -9.976 841 HA GLN 108 HA GLN 108 -2.593 -2.931 -8.127 842 HB2 GLN 108 2HB GLN 108 -1.627 -1.426 -9.757 843 HB3 GLN 108 3HB GLN 108 -1.983 -2.967 -10.521 844 HG2 GLN 108 2HG GLN 108 -3.708 -0.507 -10.752 845 HG3 GLN 108 3HG GLN 108 -2.489 -0.994 -11.925 846 HE21 GLN 108 1HE2 GLN 108 -5.642 -1.614 -10.643 847 HE22 GLN 108 2HE2 GLN 108 -6.132 -2.771 -11.839 848 H LEU 109 H LEU 109 -2.595 -1.250 -6.760 849 HA LEU 109 HA LEU 109 -4.671 0.814 -7.097 850 HB2 LEU 109 2HB LEU 109 -3.789 -0.498 -4.524 851 HB3 LEU 109 3HB LEU 109 -4.835 0.903 -4.612 852 HG LEU 109 HG LEU 109 -5.490 -1.832 -5.707 853 HD11 LEU 109 1HD1 LEU 109 -5.476 -1.795 -3.278 854 HD12 LEU 109 2HD1 LEU 109 -7.127 -1.916 -3.890 855 HD13 LEU 109 3HD1 LEU 109 -6.524 -0.375 -3.279 856 HD21 LEU 109 3HD2 LEU 109 -7.189 0.655 -5.521 857 HD22 LEU 109 1HD2 LEU 109 -7.723 -0.933 -6.077 858 HD23 LEU 109 2HD2 LEU 109 -6.524 -0.031 -7.003 859 H THR 110 H THR 110 -3.738 2.703 -7.435 860 HA THR 110 HA THR 110 -1.079 3.226 -6.319 861 HB THR 110 HB THR 110 -1.088 5.208 -7.838 862 HG1 THR 110 HG1 THR 110 -3.402 5.399 -7.984 863 HG21 THR 110 3HG2 THR 110 -0.070 3.125 -8.577 864 HG22 THR 110 1HG2 THR 110 -0.853 3.943 -9.927 865 HG23 THR 110 2HG2 THR 110 -1.632 2.554 -9.169 866 H TYR 111 H TYR 111 -0.849 4.478 -4.587 867 HA TYR 111 HA TYR 111 -3.091 6.242 -3.856 868 HB2 TYR 111 2HB TYR 111 -1.092 4.789 -2.130 869 HB3 TYR 111 3HB TYR 111 -2.047 6.137 -1.518 870 HD1 TYR 111 HD1 TYR 111 -4.527 5.942 -1.414 871 HD2 TYR 111 HD2 TYR 111 -2.060 2.619 -2.396 872 HE1 TYR 111 HE1 TYR 111 -6.400 4.424 -0.935 873 HE2 TYR 111 HE2 TYR 111 -3.925 1.089 -1.913 874 HH TYR 111 HH TYR 111 -7.107 2.111 -1.610 875 H ASP 112 H ASP 112 -2.754 8.364 -3.517 876 HA ASP 112 HA ASP 112 -0.056 9.384 -4.104 877 HB2 ASP 112 2HB ASP 112 -2.734 10.746 -4.496 878 HB3 ASP 112 3HB ASP 112 -1.166 11.445 -4.880 879 H PHE 113 H PHE 113 0.849 10.913 -2.784 880 HA PHE 113 HA PHE 113 -0.699 11.728 -0.412 881 HB2 PHE 113 2HB PHE 113 2.171 10.834 -0.598 882 HB3 PHE 113 3HB PHE 113 1.580 11.789 0.755 883 HD1 PHE 113 HD1 PHE 113 -0.021 10.853 2.336 884 HD2 PHE 113 HD2 PHE 113 1.607 8.523 -0.835 885 HE1 PHE 113 HE1 PHE 113 -0.737 8.796 3.481 886 HE2 PHE 113 HE2 PHE 113 0.886 6.465 0.303 887 HZ PHE 113 HZ PHE 113 -0.288 6.601 2.466 888 H ASN 114 H ASN 114 -0.373 13.760 0.396 889 HA ASN 114 HA ASN 114 0.369 15.889 0.644 890 HB2 ASN 114 2HB ASN 114 2.660 14.877 0.090 891 HB3 ASN 114 3HB ASN 114 2.401 15.483 -1.539 892 HD21 ASN 114 1HD2 ASN 114 1.033 17.919 -0.670 893 HD22 ASN 114 2HD2 ASN 114 2.272 18.933 -0.011 894 H GLY 115 H GLY 115 0.774 15.199 -2.835 895 HA2 GLY 115 2HA GLY 115 -0.574 16.004 -4.580 896 HA3 GLY 115 3HA GLY 115 -1.443 17.001 -3.421 897 H LYS 116 H LYS 116 -0.022 17.496 -6.079 898 HA LYS 116 HA LYS 116 2.148 19.261 -5.403 899 HB2 LYS 116 2HB LYS 116 0.723 18.814 -8.030 900 HB3 LYS 116 3HB LYS 116 2.171 19.784 -7.825 901 HG2 LYS 116 2HG LYS 116 3.415 17.815 -7.132 902 HG3 LYS 116 3HG LYS 116 1.956 16.832 -7.284 903 HD2 LYS 116 2HD LYS 116 1.845 17.373 -9.671 904 HD3 LYS 116 3HD LYS 116 3.308 18.346 -9.517 905 HE2 LYS 116 2HE LYS 116 3.125 15.395 -8.935 906 HE3 LYS 116 3HE LYS 116 3.727 16.090 -10.438 907 HZ1 LYS 116 3HZ LYS 116 5.539 15.511 -8.965 908 HZ2 LYS 116 1HZ LYS 116 4.903 16.499 -7.746 909 HZ3 LYS 116 2HZ LYS 116 5.478 17.196 -9.177 910 H LEU 117 H LEU 117 1.032 20.698 -3.971 911 HA LEU 117 HA LEU 117 0.112 22.714 -3.458 912 HB2 LEU 117 2HB LEU 117 0.490 23.250 -6.404 913 HB3 LEU 117 3HB LEU 117 0.197 24.463 -5.176 914 HG LEU 117 HG LEU 117 2.644 22.706 -5.344 915 HD11 LEU 117 1HD1 LEU 117 2.540 24.381 -7.122 916 HD12 LEU 117 2HD1 LEU 117 3.817 24.740 -5.961 917 HD13 LEU 117 3HD1 LEU 117 2.306 25.645 -5.913 918 HD21 LEU 117 3HD2 LEU 117 3.531 24.134 -3.569 919 HD22 LEU 117 1HD2 LEU 117 2.081 23.279 -3.042 920 HD23 LEU 117 2HD2 LEU 117 1.989 24.984 -3.480 921 H GLU 118 H GLU 118 -1.712 20.637 -3.962 922 HA GLU 118 HA GLU 118 -4.006 22.174 -4.981 923 HB2 GLU 118 2HB GLU 118 -3.278 20.320 -6.524 924 HB3 GLU 118 3HB GLU 118 -3.658 19.181 -5.240 925 HG2 GLU 118 2HG GLU 118 -5.984 19.894 -5.283 926 HG3 GLU 118 3HG GLU 118 -5.608 21.064 -6.549 927 H HIS 119 H HIS 119 -5.926 21.956 -3.839 928 HA HIS 119 HA HIS 119 -7.278 21.668 -2.040 929 HB2 HIS 119 2HB HIS 119 -5.599 19.183 -1.793 930 HB3 HIS 119 3HB HIS 119 -6.807 19.586 -0.578 931 HD1 HIS 119 HD1 HIS 119 -6.420 17.801 -3.689 932 HD2 HIS 119 HD2 HIS 119 -9.496 19.880 -1.803 933 HE1 HIS 119 HE1 HIS 119 -8.546 17.024 -4.789 934 HE2 HIS 119 HE2 HIS 119 -10.399 18.179 -3.529 935 H HIS 120 H HIS 120 -4.959 23.362 -1.850 936 HA HIS 120 HA HIS 120 -4.414 23.081 1.024 937 HB2 HIS 120 2HB HIS 120 -2.188 23.952 0.754 938 HB3 HIS 120 3HB HIS 120 -2.397 22.588 -0.331 939 HD1 HIS 120 HD1 HIS 120 -0.381 25.170 -0.485 940 HD2 HIS 120 HD2 HIS 120 -3.662 24.309 -2.889 941 HE1 HIS 120 HE1 HIS 120 0.000 26.433 -2.626 942 HE2 HIS 120 HE2 HIS 120 -2.030 25.954 -4.046 943 H HIS 121 H HIS 121 -5.832 24.438 1.877 944 HA HIS 121 HA HIS 121 -5.642 27.266 1.056 945 HB2 HIS 121 2HB HIS 121 -7.950 25.720 2.239 946 HB3 HIS 121 3HB HIS 121 -7.898 27.478 2.244 947 HD1 HIS 121 HD1 HIS 121 -8.917 28.574 0.278 948 HD2 HIS 121 HD2 HIS 121 -7.792 24.651 -0.534 949 HE1 HIS 121 HE1 HIS 121 -9.707 28.108 -2.069 950 HE2 HIS 121 HE2 HIS 121 -8.920 25.767 -2.576 951 H HIS 122 H HIS 122 -6.260 25.140 3.831 952 HA HIS 122 HA HIS 122 -5.497 25.135 5.963 953 HB2 HIS 122 2HB HIS 122 -3.313 26.675 4.588 954 HB3 HIS 122 3HB HIS 122 -3.262 26.398 6.324 955 HD1 HIS 122 HD1 HIS 122 -1.458 24.722 6.563 956 HD2 HIS 122 HD2 HIS 122 -4.149 23.703 3.555 957 HE1 HIS 122 HE1 HIS 122 -0.782 22.425 5.793 958 HE2 HIS 122 HE2 HIS 122 -2.567 21.732 4.156 959 H HIS 123 H HIS 123 -4.498 26.737 7.712 960 HA HIS 123 HA HIS 123 -5.398 29.473 7.515 961 HB2 HIS 123 2HB HIS 123 -6.923 27.476 9.017 962 HB3 HIS 123 3HB HIS 123 -6.379 28.808 10.031 963 HD1 HIS 123 HD1 HIS 123 -9.360 28.048 8.777 964 HD2 HIS 123 HD2 HIS 123 -6.866 31.253 7.896 965 HE1 HIS 123 HE1 HIS 123 -10.860 29.850 7.882 966 HE2 HIS 123 HE2 HIS 123 -9.358 31.848 7.566 967 H HIS 124 H HIS 124 -4.855 30.525 9.818 968 HA HIS 124 HA HIS 124 -2.750 29.212 11.258 969 HB2 HIS 124 2HB HIS 124 -1.702 30.187 9.091 970 HB3 HIS 124 3HB HIS 124 -1.928 31.750 9.870 971 HD1 HIS 124 HD1 HIS 124 -0.167 32.461 11.503 972 HD2 HIS 124 HD2 HIS 124 0.028 28.405 10.598 973 HE1 HIS 124 HE1 HIS 124 1.940 31.624 12.588 974 HE2 HIS 124 HE2 HIS 124 1.914 29.126 12.212 Start of MODEL 8 1 H1 MET 1 1H MET 1 -33.607 -15.018 12.083 2 H2 MET 1 2H MET 1 -33.299 -14.545 10.483 3 H3 MET 1 3H MET 1 -34.405 -13.668 11.428 4 HA MET 1 HA MET 1 -32.301 -12.505 11.219 5 HB2 MET 1 2HB MET 1 -33.632 -12.219 13.260 6 HB3 MET 1 3HB MET 1 -32.842 -13.614 13.983 7 HG2 MET 1 2HG MET 1 -31.927 -11.544 14.842 8 HG3 MET 1 3HG MET 1 -30.709 -12.443 13.939 9 HE1 MET 1 3HE MET 1 -29.770 -8.684 13.256 10 HE2 MET 1 1HE MET 1 -29.197 -10.237 13.864 11 HE3 MET 1 2HE MET 1 -30.436 -9.348 14.749 12 H ASN 2 H ASN 2 -30.176 -12.689 10.877 13 HA ASN 2 HA ASN 2 -28.045 -13.465 10.869 14 HB2 ASN 2 2HB ASN 2 -28.425 -13.624 13.363 15 HB3 ASN 2 3HB ASN 2 -28.843 -15.316 13.126 16 HD21 ASN 2 1HD2 ASN 2 -27.165 -16.034 14.381 17 HD22 ASN 2 2HD2 ASN 2 -25.507 -15.963 13.874 18 H GLU 3 H GLU 3 -26.831 -15.817 10.874 19 HA GLU 3 HA GLU 3 -26.486 -17.773 9.785 20 HB2 GLU 3 2HB GLU 3 -29.496 -17.939 9.900 21 HB3 GLU 3 3HB GLU 3 -28.498 -19.196 9.185 22 HG2 GLU 3 2HG GLU 3 -27.371 -19.515 11.327 23 HG3 GLU 3 3HG GLU 3 -28.384 -18.260 12.041 24 H LEU 4 H LEU 4 -27.534 -15.096 8.412 25 HA LEU 4 HA LEU 4 -28.243 -16.145 5.808 26 HB2 LEU 4 2HB LEU 4 -27.923 -13.326 6.829 27 HB3 LEU 4 3HB LEU 4 -28.361 -13.723 5.178 28 HG LEU 4 HG LEU 4 -29.973 -14.380 7.646 29 HD11 LEU 4 1HD1 LEU 4 -30.026 -12.015 7.054 30 HD12 LEU 4 2HD1 LEU 4 -31.578 -12.787 6.728 31 HD13 LEU 4 3HD1 LEU 4 -30.473 -12.434 5.399 32 HD21 LEU 4 3HD2 LEU 4 -30.568 -14.888 4.733 33 HD22 LEU 4 1HD2 LEU 4 -31.675 -15.166 6.078 34 HD23 LEU 4 2HD2 LEU 4 -30.193 -16.113 5.944 35 H ASP 5 H ASP 5 -25.778 -17.034 6.494 36 HA ASP 5 HA ASP 5 -23.810 -15.401 5.121 37 HB2 ASP 5 2HB ASP 5 -23.141 -16.803 7.065 38 HB3 ASP 5 3HB ASP 5 -23.574 -18.243 6.151 39 H ILE 6 H ILE 6 -24.975 -15.259 3.157 40 HA ILE 6 HA ILE 6 -24.696 -17.620 1.458 41 HB ILE 6 HB ILE 6 -26.939 -16.963 0.399 42 HG12 ILE 6 2HG1 ILE 6 -28.552 -16.069 2.211 43 HG13 ILE 6 3HG1 ILE 6 -27.109 -15.473 3.018 44 HG21 ILE 6 1HG2 ILE 6 -28.193 -18.356 1.985 45 HG22 ILE 6 2HG2 ILE 6 -26.870 -18.205 3.143 46 HG23 ILE 6 3HG2 ILE 6 -26.606 -19.026 1.605 47 HD11 ILE 6 3HD1 ILE 6 -28.164 -13.730 1.710 48 HD12 ILE 6 1HD1 ILE 6 -28.032 -14.717 0.255 49 HD13 ILE 6 2HD1 ILE 6 -26.576 -14.123 1.052 50 H GLN 7 H GLN 7 -24.898 -17.075 -0.857 51 HA GLN 7 HA GLN 7 -24.149 -14.294 -1.396 52 HB2 GLN 7 2HB GLN 7 -22.396 -14.981 -2.918 53 HB3 GLN 7 3HB GLN 7 -22.099 -15.659 -1.330 54 HG2 GLN 7 2HG GLN 7 -23.304 -17.180 -3.636 55 HG3 GLN 7 3HG GLN 7 -21.594 -17.193 -3.214 56 HE21 GLN 7 1HE2 GLN 7 -24.762 -18.318 -2.398 57 HE22 GLN 7 2HE2 GLN 7 -24.278 -19.444 -1.171 58 H GLN 8 H GLN 8 -25.585 -13.448 -2.695 59 HA GLN 8 HA GLN 8 -26.986 -15.037 -4.683 60 HB2 GLN 8 2HB GLN 8 -27.314 -12.197 -5.061 61 HB3 GLN 8 3HB GLN 8 -28.517 -13.393 -4.617 62 HG2 GLN 8 2HG GLN 8 -28.613 -11.826 -2.905 63 HG3 GLN 8 3HG GLN 8 -27.641 -13.129 -2.227 64 HE21 GLN 8 1HE2 GLN 8 -27.784 -10.278 -1.523 65 HE22 GLN 8 2HE2 GLN 8 -26.163 -9.678 -1.671 66 H GLU 9 H GLU 9 -25.028 -12.104 -4.700 67 HA GLU 9 HA GLU 9 -23.417 -13.235 -6.891 68 HB2 GLU 9 2HB GLU 9 -24.121 -10.316 -6.478 69 HB3 GLU 9 3HB GLU 9 -23.011 -10.931 -7.694 70 HG2 GLU 9 2HG GLU 9 -24.800 -12.057 -8.827 71 HG3 GLU 9 3HG GLU 9 -25.937 -11.611 -7.553 72 H TYR 10 H TYR 10 -23.734 -11.210 -4.086 73 HA TYR 10 HA TYR 10 -22.387 -10.535 -2.430 74 HB2 TYR 10 2HB TYR 10 -21.992 -13.031 -2.275 75 HB3 TYR 10 3HB TYR 10 -20.501 -12.771 -3.181 76 HD1 TYR 10 HD1 TYR 10 -18.615 -11.607 -2.159 77 HD2 TYR 10 HD2 TYR 10 -22.206 -12.266 0.020 78 HE1 TYR 10 HE1 TYR 10 -17.454 -11.010 -0.078 79 HE2 TYR 10 HE2 TYR 10 -21.056 -11.673 2.110 80 HH TYR 10 HH TYR 10 -18.084 -10.108 2.176 81 HA PRO 11 HA PRO 11 -19.622 -8.053 -5.004 82 HB2 PRO 11 2HB PRO 11 -19.935 -5.781 -3.562 83 HB3 PRO 11 3HB PRO 11 -21.088 -6.294 -4.799 84 HG2 PRO 11 2HG PRO 11 -21.253 -6.556 -1.828 85 HG3 PRO 11 3HG PRO 11 -22.524 -6.138 -2.989 86 HD2 PRO 11 2HD PRO 11 -22.229 -8.628 -1.908 87 HD3 PRO 11 3HD PRO 11 -22.952 -8.328 -3.499 88 H PHE 12 H PHE 12 -17.495 -7.609 -4.683 89 HA PHE 12 HA PHE 12 -16.387 -8.263 -2.068 90 HB2 PHE 12 2HB PHE 12 -14.206 -8.231 -3.166 91 HB3 PHE 12 3HB PHE 12 -15.321 -9.244 -4.073 92 HD1 PHE 12 HD1 PHE 12 -13.500 -6.050 -4.041 93 HD2 PHE 12 HD2 PHE 12 -15.965 -8.676 -6.311 94 HE1 PHE 12 HE1 PHE 12 -12.966 -4.784 -6.084 95 HE2 PHE 12 HE2 PHE 12 -15.430 -7.416 -8.353 96 HZ PHE 12 HZ PHE 12 -13.928 -5.467 -8.242 97 H THR 13 H THR 13 -14.632 -6.792 -1.219 98 HA THR 13 HA THR 13 -14.987 -3.997 -1.977 99 HB THR 13 HB THR 13 -15.393 -4.874 0.889 100 HG1 THR 13 HG1 THR 13 -17.153 -4.626 -1.237 101 HG21 THR 13 3HG2 THR 13 -14.468 -2.606 0.580 102 HG22 THR 13 1HG2 THR 13 -16.102 -2.571 1.246 103 HG23 THR 13 2HG2 THR 13 -15.837 -2.205 -0.460 104 H VAL 14 H VAL 14 -13.068 -3.045 -2.038 105 HA VAL 14 HA VAL 14 -10.854 -4.070 -0.445 106 HB VAL 14 HB VAL 14 -10.916 -1.719 -2.354 107 HG11 VAL 14 1HG1 VAL 14 -9.141 -1.555 -0.683 108 HG12 VAL 14 2HG1 VAL 14 -8.480 -1.865 -2.289 109 HG13 VAL 14 3HG1 VAL 14 -8.583 -3.172 -1.110 110 HG21 VAL 14 3HG2 VAL 14 -9.724 -3.219 -3.910 111 HG22 VAL 14 1HG2 VAL 14 -11.357 -3.783 -3.547 112 HG23 VAL 14 2HG2 VAL 14 -9.967 -4.552 -2.780 113 H GLU 15 H GLU 15 -10.670 -3.412 1.585 114 HA GLU 15 HA GLU 15 -11.998 -0.910 2.359 115 HB2 GLU 15 2HB GLU 15 -12.745 -3.061 3.390 116 HB3 GLU 15 3HB GLU 15 -11.141 -3.238 4.084 117 HG2 GLU 15 2HG GLU 15 -11.474 -1.177 5.357 118 HG3 GLU 15 3HG GLU 15 -13.095 -1.025 4.673 119 H SER 16 H SER 16 -10.816 0.752 2.987 120 HA SER 16 HA SER 16 -8.252 0.427 4.249 121 HB2 SER 16 2HB SER 16 -7.768 0.284 1.777 122 HB3 SER 16 3HB SER 16 -8.407 1.917 1.614 123 HG SER 16 HG SER 16 -5.971 1.374 2.057 124 H MET 17 H MET 17 -7.326 2.710 4.672 125 HA MET 17 HA MET 17 -9.585 4.365 5.546 126 HB2 MET 17 2HB MET 17 -6.734 4.152 6.506 127 HB3 MET 17 3HB MET 17 -7.795 5.467 6.995 128 HG2 MET 17 2HG MET 17 -8.307 2.540 7.454 129 HG3 MET 17 3HG MET 17 -7.723 3.690 8.656 130 HE1 MET 17 3HE MET 17 -9.648 3.064 10.340 131 HE2 MET 17 1HE MET 17 -10.229 1.856 9.194 132 HE3 MET 17 2HE MET 17 -11.355 3.013 9.903 133 HA PRO 18 HA PRO 18 -8.665 7.557 2.614 134 HB2 PRO 18 2HB PRO 18 -9.376 9.450 4.785 135 HB3 PRO 18 3HB PRO 18 -10.082 9.268 3.174 136 HG2 PRO 18 2HG PRO 18 -11.391 8.449 5.350 137 HG3 PRO 18 3HG PRO 18 -11.466 7.530 3.835 138 HD2 PRO 18 2HD PRO 18 -9.866 6.987 6.307 139 HD3 PRO 18 3HD PRO 18 -10.734 5.849 5.256 140 H VAL 19 H VAL 19 -6.516 7.684 2.297 141 HA VAL 19 HA VAL 19 -4.933 9.246 4.230 142 HB VAL 19 HB VAL 19 -2.953 7.888 3.571 143 HG11 VAL 19 1HG1 VAL 19 -4.145 7.354 5.626 144 HG12 VAL 19 2HG1 VAL 19 -3.544 5.883 4.863 145 HG13 VAL 19 3HG1 VAL 19 -5.251 6.311 4.732 146 HG21 VAL 19 3HG2 VAL 19 -3.733 7.103 1.396 147 HG22 VAL 19 1HG2 VAL 19 -4.997 6.152 2.179 148 HG23 VAL 19 2HG2 VAL 19 -3.301 5.740 2.427 149 H ALA 20 H ALA 20 -6.317 9.483 1.361 150 HA ALA 20 HA ALA 20 -3.962 10.415 -0.107 151 HB1 ALA 20 3HB ALA 20 -5.359 8.731 -1.217 152 HB2 ALA 20 1HB ALA 20 -5.304 10.247 -2.118 153 HB3 ALA 20 2HB ALA 20 -6.728 9.842 -1.159 154 H ASP 21 H ASP 21 -3.788 12.395 1.044 155 HA ASP 21 HA ASP 21 -5.280 14.427 -0.372 156 HB2 ASP 21 2HB ASP 21 -5.518 15.808 1.760 157 HB3 ASP 21 3HB ASP 21 -6.633 14.468 1.548 158 H GLU 22 H GLU 22 -3.120 14.725 2.442 159 HA GLU 22 HA GLU 22 -0.942 15.519 0.662 160 HB2 GLU 22 2HB GLU 22 -2.173 17.283 2.772 161 HB3 GLU 22 3HB GLU 22 -0.505 17.492 2.258 162 HG2 GLU 22 2HG GLU 22 -2.871 17.587 0.401 163 HG3 GLU 22 3HG GLU 22 -2.131 19.003 1.143 164 H ILE 23 H ILE 23 1.133 15.549 1.728 165 HA ILE 23 HA ILE 23 1.262 14.412 4.400 166 HB ILE 23 HB ILE 23 1.165 12.432 2.922 167 HG12 ILE 23 2HG1 ILE 23 3.898 12.861 4.154 168 HG13 ILE 23 3HG1 ILE 23 2.456 12.339 5.021 169 HG21 ILE 23 1HG2 ILE 23 2.999 11.946 1.379 170 HG22 ILE 23 2HG2 ILE 23 3.695 13.534 1.707 171 HG23 ILE 23 3HG2 ILE 23 2.127 13.407 0.913 172 HD11 ILE 23 3HD1 ILE 23 3.809 10.826 2.801 173 HD12 ILE 23 1HD1 ILE 23 2.388 10.302 3.703 174 HD13 ILE 23 2HD1 ILE 23 3.939 10.476 4.524 175 H ALA 24 H ALA 24 3.143 14.918 5.471 176 HA ALA 24 HA ALA 24 4.787 16.958 4.172 177 HB1 ALA 24 3HB ALA 24 3.794 17.475 6.352 178 HB2 ALA 24 1HB ALA 24 5.557 17.499 6.420 179 HB3 ALA 24 2HB ALA 24 4.667 16.121 7.070 180 H GLY 25 H GLY 25 7.184 16.919 5.063 181 HA2 GLY 25 2HA GLY 25 8.333 14.478 4.064 182 HA3 GLY 25 3HA GLY 25 9.212 15.895 4.624 183 H ASP 26 H ASP 26 9.217 12.841 5.148 184 HA ASP 26 HA ASP 26 9.747 11.437 6.839 185 HB2 ASP 26 2HB ASP 26 11.454 13.147 7.356 186 HB3 ASP 26 3HB ASP 26 10.298 13.975 8.393 187 H GLU 27 H GLU 27 7.132 11.824 6.429 188 HA GLU 27 HA GLU 27 6.005 11.749 9.146 189 HB2 GLU 27 2HB GLU 27 5.053 13.632 7.987 190 HB3 GLU 27 3HB GLU 27 4.723 12.656 6.561 191 HG2 GLU 27 2HG GLU 27 2.988 11.482 7.648 192 HG3 GLU 27 3HG GLU 27 3.461 12.099 9.227 193 H THR 28 H THR 28 5.204 9.867 9.759 194 HA THR 28 HA THR 28 5.024 7.717 7.795 195 HB THR 28 HB THR 28 4.880 7.585 10.814 196 HG1 THR 28 HG1 THR 28 7.064 6.830 9.147 197 HG21 THR 28 3HG2 THR 28 5.357 5.187 10.474 198 HG22 THR 28 1HG2 THR 28 5.231 5.424 8.732 199 HG23 THR 28 2HG2 THR 28 3.818 5.665 9.759 200 H VAL 29 H VAL 29 3.132 7.353 6.891 201 HA VAL 29 HA VAL 29 0.670 8.018 8.353 202 HB VAL 29 HB VAL 29 1.083 7.463 5.405 203 HG11 VAL 29 1HG1 VAL 29 -1.142 6.796 6.121 204 HG12 VAL 29 2HG1 VAL 29 -1.219 8.254 5.130 205 HG13 VAL 29 3HG1 VAL 29 -1.385 8.369 6.883 206 HG21 VAL 29 3HG2 VAL 29 0.515 10.049 6.845 207 HG22 VAL 29 1HG2 VAL 29 0.663 9.840 5.098 208 HG23 VAL 29 2HG2 VAL 29 2.061 9.581 6.140 209 H GLU 30 H GLU 30 -0.812 6.480 8.866 210 HA GLU 30 HA GLU 30 -0.039 3.702 8.560 211 HB2 GLU 30 2HB GLU 30 -0.897 4.464 10.723 212 HB3 GLU 30 3HB GLU 30 -2.401 4.964 9.964 213 HG2 GLU 30 2HG GLU 30 -2.348 2.396 9.198 214 HG3 GLU 30 3HG GLU 30 -1.455 2.271 10.712 215 H ILE 31 H ILE 31 -0.727 2.468 6.952 216 HA ILE 31 HA ILE 31 -3.257 3.173 5.621 217 HB ILE 31 HB ILE 31 -0.949 1.514 4.577 218 HG12 ILE 31 2HG1 ILE 31 -1.133 3.307 2.710 219 HG13 ILE 31 3HG1 ILE 31 -2.038 4.238 3.899 220 HG21 ILE 31 1HG2 ILE 31 -2.247 1.285 2.510 221 HG22 ILE 31 2HG2 ILE 31 -3.611 2.090 3.286 222 HG23 ILE 31 3HG2 ILE 31 -3.057 0.527 3.882 223 HD11 ILE 31 3HD1 ILE 31 -0.119 4.194 5.399 224 HD12 ILE 31 1HD1 ILE 31 0.299 4.892 3.834 225 HD13 ILE 31 2HD1 ILE 31 0.783 3.241 4.218 226 H ARG 32 H ARG 32 -4.765 2.148 6.779 227 HA ARG 32 HA ARG 32 -4.409 -0.584 7.673 228 HB2 ARG 32 2HB ARG 32 -5.628 1.060 9.060 229 HB3 ARG 32 3HB ARG 32 -6.823 1.241 7.783 230 HG2 ARG 32 2HG ARG 32 -7.290 -1.225 8.047 231 HG3 ARG 32 3HG ARG 32 -6.310 -1.159 9.514 232 HD2 ARG 32 2HD ARG 32 -7.786 0.593 10.401 233 HD3 ARG 32 3HD ARG 32 -8.776 0.480 8.947 234 HE ARG 32 HE ARG 32 -8.630 -1.444 11.140 235 HH11 ARG 32 1HH1 ARG 32 -9.848 -0.669 7.941 236 HH12 ARG 32 2HH1 ARG 32 -11.140 -1.835 7.999 237 HH21 ARG 32 1HH2 ARG 32 -10.328 -2.973 11.226 238 HH22 ARG 32 2HH2 ARG 32 -11.403 -3.146 9.865 239 H LEU 33 H LEU 33 -4.463 -2.051 6.043 240 HA LEU 33 HA LEU 33 -6.508 -1.691 3.956 241 HB2 LEU 33 2HB LEU 33 -4.081 -1.530 3.295 242 HB3 LEU 33 3HB LEU 33 -3.904 -3.210 3.750 243 HG LEU 33 HG LEU 33 -5.927 -2.426 1.676 244 HD11 LEU 33 1HD1 LEU 33 -3.828 -1.393 0.977 245 HD12 LEU 33 2HD1 LEU 33 -4.220 -2.775 -0.045 246 HD13 LEU 33 3HD1 LEU 33 -2.987 -2.926 1.205 247 HD21 LEU 33 3HD2 LEU 33 -4.256 -4.902 2.101 248 HD22 LEU 33 1HD2 LEU 33 -5.481 -4.673 0.853 249 HD23 LEU 33 2HD2 LEU 33 -5.951 -4.715 2.552 250 H GLU 34 H GLU 34 -8.025 -3.191 3.757 251 HA GLU 34 HA GLU 34 -7.477 -5.948 4.528 252 HB2 GLU 34 2HB GLU 34 -8.518 -4.700 6.511 253 HB3 GLU 34 3HB GLU 34 -9.976 -4.580 5.532 254 HG2 GLU 34 2HG GLU 34 -9.824 -7.115 5.316 255 HG3 GLU 34 3HG GLU 34 -8.652 -7.033 6.625 256 H ILE 35 H ILE 35 -8.214 -7.232 2.941 257 HA ILE 35 HA ILE 35 -10.222 -6.103 1.102 258 HB ILE 35 HB ILE 35 -8.268 -8.349 0.562 259 HG12 ILE 35 2HG1 ILE 35 -8.213 -5.467 -0.366 260 HG13 ILE 35 3HG1 ILE 35 -7.137 -6.171 0.835 261 HG21 ILE 35 1HG2 ILE 35 -10.122 -6.847 -1.288 262 HG22 ILE 35 2HG2 ILE 35 -10.323 -8.514 -0.747 263 HG23 ILE 35 3HG2 ILE 35 -8.955 -8.080 -1.771 264 HD11 ILE 35 3HD1 ILE 35 -6.203 -7.649 -0.848 265 HD12 ILE 35 1HD1 ILE 35 -6.065 -5.961 -1.343 266 HD13 ILE 35 2HD1 ILE 35 -7.308 -6.989 -2.054 267 H LYS 36 H LYS 36 -12.191 -6.924 1.208 268 HA LYS 36 HA LYS 36 -12.519 -9.653 2.240 269 HB2 LYS 36 2HB LYS 36 -15.039 -8.799 2.251 270 HB3 LYS 36 3HB LYS 36 -13.939 -8.465 3.579 271 HG2 LYS 36 2HG LYS 36 -13.467 -6.255 2.592 272 HG3 LYS 36 3HG LYS 36 -14.652 -6.595 1.329 273 HD2 LYS 36 2HD LYS 36 -15.599 -5.215 3.123 274 HD3 LYS 36 3HD LYS 36 -16.412 -6.777 2.999 275 HE2 LYS 36 2HE LYS 36 -16.028 -6.206 5.327 276 HE3 LYS 36 3HE LYS 36 -15.069 -7.614 4.878 277 HZ1 LYS 36 3HZ LYS 36 -13.149 -6.098 4.602 278 HZ2 LYS 36 1HZ LYS 36 -13.738 -6.141 6.187 279 HZ3 LYS 36 2HZ LYS 36 -14.090 -4.817 5.192 280 HA PRO 37 HA PRO 37 -13.154 -10.398 -2.126 281 HB2 PRO 37 2HB PRO 37 -12.496 -12.986 -2.106 282 HB3 PRO 37 3HB PRO 37 -11.274 -11.723 -1.908 283 HG2 PRO 37 2HG PRO 37 -12.564 -13.454 0.162 284 HG3 PRO 37 3HG PRO 37 -10.872 -12.948 0.019 285 HD2 PRO 37 2HD PRO 37 -12.732 -11.771 1.688 286 HD3 PRO 37 3HD PRO 37 -11.250 -10.986 1.109 287 H SER 38 H SER 38 -14.481 -11.824 -3.428 288 HA SER 38 HA SER 38 -17.042 -12.304 -2.170 289 HB2 SER 38 2HB SER 38 -16.912 -11.148 -4.348 290 HB3 SER 38 3HB SER 38 -16.175 -12.581 -5.064 291 HG SER 38 HG SER 38 -18.807 -12.042 -4.501 292 H GLY 39 H GLY 39 -14.467 -14.141 -3.743 293 HA2 GLY 39 2HA GLY 39 -15.916 -16.621 -3.713 294 HA3 GLY 39 3HA GLY 39 -14.231 -16.400 -4.145 295 H ASN 40 H ASN 40 -16.154 -15.936 -1.197 296 HA ASN 40 HA ASN 40 -16.064 -16.851 0.869 297 HB2 ASN 40 2HB ASN 40 -14.244 -18.918 -0.378 298 HB3 ASN 40 3HB ASN 40 -14.985 -19.033 1.215 299 HD21 ASN 40 1HD2 ASN 40 -17.189 -19.441 1.387 300 HD22 ASN 40 2HD2 ASN 40 -18.120 -20.028 0.051 301 H PHE 41 H PHE 41 -12.754 -17.481 -0.307 302 HA PHE 41 HA PHE 41 -11.442 -15.587 1.290 303 HB2 PHE 41 2HB PHE 41 -12.304 -16.764 3.212 304 HB3 PHE 41 3HB PHE 41 -11.804 -18.315 2.553 305 HD1 PHE 41 HD2 PHE 41 -10.503 -15.099 3.857 306 HD2 PHE 41 HD1 PHE 41 -9.703 -19.197 3.041 307 HE1 PHE 41 HE2 PHE 41 -8.370 -14.923 5.070 308 HE2 PHE 41 HE1 PHE 41 -7.569 -19.027 4.251 309 HZ PHE 41 HZ PHE 41 -6.901 -16.886 5.267 310 H ILE 42 H ILE 42 -11.457 -18.735 -0.218 311 HA ILE 42 HA ILE 42 -8.612 -19.007 -0.279 312 HB ILE 42 HB ILE 42 -9.884 -21.019 -0.141 313 HG12 ILE 42 2HG1 ILE 42 -8.715 -20.782 -2.923 314 HG13 ILE 42 3HG1 ILE 42 -7.809 -21.140 -1.457 315 HG21 ILE 42 1HG2 ILE 42 -11.213 -20.236 -2.731 316 HG22 ILE 42 2HG2 ILE 42 -11.961 -20.223 -1.133 317 HG23 ILE 42 3HG2 ILE 42 -11.454 -21.749 -1.858 318 HD11 ILE 42 3HD1 ILE 42 -9.948 -22.865 -2.677 319 HD12 ILE 42 1HD1 ILE 42 -9.056 -23.222 -1.199 320 HD13 ILE 42 2HD1 ILE 42 -8.208 -23.149 -2.743 321 H GLY 43 H GLY 43 -7.325 -17.962 -1.594 322 HA2 GLY 43 2HA GLY 43 -8.208 -17.451 -4.364 323 HA3 GLY 43 3HA GLY 43 -6.927 -16.563 -3.539 324 H THR 44 H THR 44 -5.665 -17.212 -5.537 325 HA THR 44 HA THR 44 -4.856 -20.020 -5.440 326 HB THR 44 HB THR 44 -3.477 -19.494 -7.458 327 HG1 THR 44 HG1 THR 44 -4.638 -16.922 -7.050 328 HG21 THR 44 3HG2 THR 44 -5.370 -19.314 -8.991 329 HG22 THR 44 1HG2 THR 44 -6.401 -18.796 -7.656 330 HG23 THR 44 2HG2 THR 44 -5.723 -20.424 -7.665 331 H VAL 45 H VAL 45 -2.688 -17.405 -6.259 332 HA VAL 45 HA VAL 45 -1.218 -17.801 -3.750 333 HB VAL 45 HB VAL 45 0.095 -17.591 -6.470 334 HG11 VAL 45 1HG1 VAL 45 2.183 -18.012 -5.263 335 HG12 VAL 45 2HG1 VAL 45 1.301 -17.992 -3.736 336 HG13 VAL 45 3HG1 VAL 45 1.400 -16.529 -4.715 337 HG21 VAL 45 3HG2 VAL 45 -0.151 -19.956 -4.614 338 HG22 VAL 45 1HG2 VAL 45 0.858 -19.902 -6.062 339 HG23 VAL 45 2HG2 VAL 45 -0.896 -19.781 -6.203 340 H TYR 46 H TYR 46 -1.966 -15.885 -2.947 341 HA TYR 46 HA TYR 46 -2.014 -13.510 -4.568 342 HB2 TYR 46 2HB TYR 46 -3.517 -14.359 -2.479 343 HB3 TYR 46 3HB TYR 46 -2.410 -13.272 -1.649 344 HD1 TYR 46 HD2 TYR 46 -4.225 -13.200 -4.915 345 HD2 TYR 46 HD1 TYR 46 -3.360 -11.198 -1.264 346 HE1 TYR 46 HE2 TYR 46 -5.599 -11.300 -5.642 347 HE2 TYR 46 HE1 TYR 46 -4.731 -9.287 -1.986 348 HH TYR 46 HH TYR 46 -6.837 -9.441 -4.648 349 H THR 47 H THR 47 -0.057 -12.755 -5.056 350 HA THR 47 HA THR 47 1.832 -12.330 -2.841 351 HB THR 47 HB THR 47 3.568 -12.080 -4.660 352 HG1 THR 47 HG1 THR 47 1.455 -13.174 -6.240 353 HG21 THR 47 3HG2 THR 47 3.828 -14.496 -4.987 354 HG22 THR 47 1HG2 THR 47 2.171 -14.750 -4.443 355 HG23 THR 47 2HG2 THR 47 3.378 -14.116 -3.325 356 H LEU 48 H LEU 48 2.690 -10.324 -2.494 357 HA LEU 48 HA LEU 48 1.349 -8.135 -3.921 358 HB2 LEU 48 2HB LEU 48 0.848 -8.159 -1.563 359 HB3 LEU 48 3HB LEU 48 2.548 -8.278 -1.157 360 HG LEU 48 HG LEU 48 2.909 -6.002 -2.060 361 HD11 LEU 48 1HD1 LEU 48 -0.089 -5.988 -2.373 362 HD12 LEU 48 2HD1 LEU 48 1.101 -5.923 -3.674 363 HD13 LEU 48 3HD1 LEU 48 0.967 -4.583 -2.534 364 HD21 LEU 48 3HD2 LEU 48 1.744 -4.805 -0.253 365 HD22 LEU 48 1HD2 LEU 48 2.526 -6.284 0.308 366 HD23 LEU 48 2HD2 LEU 48 0.781 -6.249 0.058 367 H ARG 49 H ARG 49 2.495 -6.823 -5.150 368 HA ARG 49 HA ARG 49 5.406 -6.652 -4.735 369 HB2 ARG 49 2HB ARG 49 3.719 -6.337 -7.193 370 HB3 ARG 49 3HB ARG 49 5.285 -5.546 -7.093 371 HG2 ARG 49 2HG ARG 49 6.253 -7.817 -6.579 372 HG3 ARG 49 3HG ARG 49 4.683 -8.483 -7.039 373 HD2 ARG 49 2HD ARG 49 6.373 -6.709 -8.792 374 HD3 ARG 49 3HD ARG 49 6.353 -8.469 -8.880 375 HE ARG 49 HE ARG 49 3.832 -8.102 -9.306 376 HH11 ARG 49 1HH1 ARG 49 6.369 -5.908 -10.365 377 HH12 ARG 49 2HH1 ARG 49 5.504 -5.410 -11.791 378 HH21 ARG 49 1HH2 ARG 49 2.718 -7.463 -11.154 379 HH22 ARG 49 2HH2 ARG 49 3.429 -6.314 -12.250 380 H TYR 50 H TYR 50 6.247 -4.779 -4.132 381 HA TYR 50 HA TYR 50 4.487 -2.431 -4.028 382 HB2 TYR 50 2HB TYR 50 5.421 -3.141 -1.878 383 HB3 TYR 50 3HB TYR 50 7.051 -3.054 -2.536 384 HD1 TYR 50 HD1 TYR 50 4.091 -0.759 -2.468 385 HD2 TYR 50 HD2 TYR 50 8.240 -1.284 -1.705 386 HE1 TYR 50 HE1 TYR 50 4.243 1.578 -1.727 387 HE2 TYR 50 HE2 TYR 50 8.405 1.052 -0.962 388 HH TYR 50 HH TYR 50 5.635 2.983 -0.372 389 H PHE 51 H PHE 51 4.852 -0.821 -5.433 390 HA PHE 51 HA PHE 51 7.519 -0.610 -6.662 391 HB2 PHE 51 2HB PHE 51 5.894 -1.865 -8.122 392 HB3 PHE 51 3HB PHE 51 4.912 -0.411 -8.183 393 HD1 PHE 51 HD1 PHE 51 8.156 -1.872 -9.129 394 HD2 PHE 51 HD2 PHE 51 5.447 1.365 -9.652 395 HE1 PHE 51 HE1 PHE 51 9.456 -1.105 -11.072 396 HE2 PHE 51 HE2 PHE 51 6.739 2.140 -11.595 397 HZ PHE 51 HZ PHE 51 8.747 0.904 -12.309 398 H GLN 52 H GLN 52 8.203 1.468 -7.085 399 HA GLN 52 HA GLN 52 6.289 3.627 -6.491 400 HB2 GLN 52 2HB GLN 52 9.190 3.477 -5.652 401 HB3 GLN 52 3HB GLN 52 8.197 4.920 -5.527 402 HG2 GLN 52 2HG GLN 52 6.660 3.683 -4.036 403 HG3 GLN 52 3HG GLN 52 7.760 2.310 -4.098 404 HE21 GLN 52 1HE2 GLN 52 9.712 2.408 -3.004 405 HE22 GLN 52 2HE2 GLN 52 10.049 3.625 -1.823 406 HA PRO 53 HA PRO 53 7.985 4.578 -10.595 407 HB2 PRO 53 2HB PRO 53 5.718 5.466 -11.687 408 HB3 PRO 53 3HB PRO 53 5.998 3.737 -11.443 409 HG2 PRO 53 2HG PRO 53 4.365 5.642 -9.809 410 HG3 PRO 53 3HG PRO 53 3.987 3.982 -10.302 411 HD2 PRO 53 2HD PRO 53 4.986 4.683 -7.828 412 HD3 PRO 53 3HD PRO 53 5.152 3.075 -8.559 413 H ASP 54 H ASP 54 6.929 6.410 -8.020 414 HA ASP 54 HA ASP 54 8.068 8.827 -9.059 415 HB2 ASP 54 2HB ASP 54 5.913 9.085 -10.087 416 HB3 ASP 54 3HB ASP 54 5.091 8.661 -8.592 417 H GLY 55 H GLY 55 9.076 9.783 -7.410 418 HA2 GLY 55 2HA GLY 55 9.137 10.854 -5.317 419 HA3 GLY 55 3HA GLY 55 7.754 9.896 -4.808 420 H LYS 56 H LYS 56 9.461 9.976 -2.938 421 HA LYS 56 HA LYS 56 10.868 7.397 -3.043 422 HB2 LYS 56 2HB LYS 56 12.518 9.224 -3.325 423 HB3 LYS 56 3HB LYS 56 11.960 9.946 -1.825 424 HG2 LYS 56 2HG LYS 56 12.653 7.865 -0.643 425 HG3 LYS 56 3HG LYS 56 13.370 7.312 -2.158 426 HD2 LYS 56 2HD LYS 56 14.823 9.269 -2.195 427 HD3 LYS 56 3HD LYS 56 14.088 9.853 -0.703 428 HE2 LYS 56 2HE LYS 56 14.850 7.761 0.411 429 HE3 LYS 56 3HE LYS 56 15.716 7.344 -1.067 430 HZ1 LYS 56 3HZ LYS 56 17.028 9.355 -0.835 431 HZ2 LYS 56 1HZ LYS 56 17.160 8.407 0.566 432 HZ3 LYS 56 2HZ LYS 56 16.173 9.781 0.568 433 H GLY 57 H GLY 57 10.463 6.137 -1.289 434 HA2 GLY 57 2HA GLY 57 9.946 7.135 1.308 435 HA3 GLY 57 3HA GLY 57 8.430 6.750 0.506 436 H SER 58 H SER 58 8.876 5.394 2.702 437 HA SER 58 HA SER 58 9.645 2.729 1.737 438 HB2 SER 58 2HB SER 58 10.266 3.876 4.471 439 HB3 SER 58 3HB SER 58 10.636 2.238 3.933 440 HG SER 58 HG SER 58 12.219 4.237 3.745 441 H LEU 59 H LEU 59 7.842 1.559 1.695 442 HA LEU 59 HA LEU 59 5.773 1.986 3.708 443 HB2 LEU 59 2HB LEU 59 5.107 1.786 1.346 444 HB3 LEU 59 3HB LEU 59 5.807 0.179 1.285 445 HG LEU 59 HG LEU 59 4.147 -0.577 2.966 446 HD11 LEU 59 1HD1 LEU 59 2.247 0.854 3.499 447 HD12 LEU 59 2HD1 LEU 59 2.983 2.178 2.596 448 HD13 LEU 59 3HD1 LEU 59 3.757 1.573 4.059 449 HD21 LEU 59 3HD2 LEU 59 3.706 -0.883 0.590 450 HD22 LEU 59 1HD2 LEU 59 2.982 0.723 0.507 451 HD23 LEU 59 2HD2 LEU 59 2.212 -0.541 1.464 452 H LYS 60 H LYS 60 5.885 0.875 5.522 453 HA LYS 60 HA LYS 60 7.497 -1.585 5.535 454 HB2 LYS 60 2HB LYS 60 6.764 0.073 7.944 455 HB3 LYS 60 3HB LYS 60 8.048 -1.120 7.795 456 HG2 LYS 60 2HG LYS 60 9.181 0.373 6.174 457 HG3 LYS 60 3HG LYS 60 7.938 1.584 6.479 458 HD2 LYS 60 2HD LYS 60 9.860 0.450 8.505 459 HD3 LYS 60 3HD LYS 60 9.945 2.049 7.770 460 HE2 LYS 60 2HE LYS 60 8.962 2.525 9.795 461 HE3 LYS 60 3HE LYS 60 7.550 2.328 8.759 462 HZ1 LYS 60 3HZ LYS 60 7.163 0.173 9.636 463 HZ2 LYS 60 1HZ LYS 60 7.436 1.186 10.963 464 HZ3 LYS 60 2HZ LYS 60 8.659 0.138 10.430 465 H MET 61 H MET 61 6.598 -3.470 6.057 466 HA MET 61 HA MET 61 3.827 -3.755 6.660 467 HB2 MET 61 2HB MET 61 6.104 -5.725 7.021 468 HB3 MET 61 3HB MET 61 4.392 -6.127 7.047 469 HG2 MET 61 2HG MET 61 4.170 -5.533 4.724 470 HG3 MET 61 3HG MET 61 5.839 -4.969 4.676 471 HE1 MET 61 3HE MET 61 3.463 -8.081 4.909 472 HE2 MET 61 1HE MET 61 4.339 -8.139 6.440 473 HE3 MET 61 2HE MET 61 4.613 -9.383 5.218 474 H GLU 62 H GLU 62 3.156 -2.808 8.506 475 HA GLU 62 HA GLU 62 3.144 -1.952 10.596 476 HB2 GLU 62 2HB GLU 62 4.204 -4.733 11.080 477 HB3 GLU 62 3HB GLU 62 3.898 -3.617 12.406 478 HG2 GLU 62 2HG GLU 62 1.783 -4.273 10.387 479 HG3 GLU 62 3HG GLU 62 2.070 -5.297 11.790 480 H ASP 63 H ASP 63 5.837 -3.706 11.732 481 HA ASP 63 HA ASP 63 7.725 -1.569 11.095 482 HB2 ASP 63 2HB ASP 63 6.608 -1.089 13.332 483 HB3 ASP 63 3HB ASP 63 7.371 -2.553 13.937 484 H GLY 64 H GLY 64 7.183 -4.446 10.443 485 HA2 GLY 64 2HA GLY 64 9.542 -5.732 11.638 486 HA3 GLY 64 3HA GLY 64 8.193 -6.571 10.889 487 H THR 65 H THR 65 8.031 -5.198 8.452 488 HA THR 65 HA THR 65 10.656 -5.723 7.246 489 HB THR 65 HB THR 65 8.089 -6.879 6.140 490 HG1 THR 65 HG1 THR 65 8.396 -8.538 7.419 491 HG21 THR 65 3HG2 THR 65 9.855 -6.466 4.486 492 HG22 THR 65 1HG2 THR 65 9.591 -8.193 4.725 493 HG23 THR 65 2HG2 THR 65 10.985 -7.404 5.460 494 H VAL 66 H VAL 66 11.214 -4.053 5.992 495 HA VAL 66 HA VAL 66 9.204 -2.231 4.955 496 HB VAL 66 HB VAL 66 12.199 -2.229 4.512 497 HG11 VAL 66 1HG1 VAL 66 11.866 0.125 3.883 498 HG12 VAL 66 2HG1 VAL 66 10.122 -0.097 4.032 499 HG13 VAL 66 3HG1 VAL 66 11.022 -0.984 2.801 500 HG21 VAL 66 3HG2 VAL 66 12.252 -0.465 6.223 501 HG22 VAL 66 1HG2 VAL 66 11.684 -2.005 6.869 502 HG23 VAL 66 2HG2 VAL 66 10.530 -0.719 6.516 503 H LEU 67 H LEU 67 8.339 -2.332 2.976 504 HA LEU 67 HA LEU 67 8.949 -4.569 1.298 505 HB2 LEU 67 2HB LEU 67 7.092 -2.224 0.917 506 HB3 LEU 67 3HB LEU 67 7.208 -3.577 -0.192 507 HG LEU 67 HG LEU 67 6.349 -3.757 2.700 508 HD11 LEU 67 1HD1 LEU 67 4.663 -2.666 1.351 509 HD12 LEU 67 2HD1 LEU 67 4.148 -4.308 1.743 510 HD13 LEU 67 3HD1 LEU 67 4.775 -3.938 0.135 511 HD21 LEU 67 3HD2 LEU 67 7.511 -5.762 1.904 512 HD22 LEU 67 1HD2 LEU 67 6.404 -5.853 0.536 513 HD23 LEU 67 2HD2 LEU 67 5.795 -6.065 2.177 514 H LYS 68 H LYS 68 9.905 -4.628 -0.672 515 HA LYS 68 HA LYS 68 11.434 -2.232 -1.433 516 HB2 LYS 68 2HB LYS 68 12.052 -5.166 -1.798 517 HB3 LYS 68 3HB LYS 68 12.967 -3.878 -2.566 518 HG2 LYS 68 2HG LYS 68 13.576 -3.000 -0.367 519 HG3 LYS 68 3HG LYS 68 12.668 -4.307 0.398 520 HD2 LYS 68 2HD LYS 68 15.099 -4.759 0.281 521 HD3 LYS 68 3HD LYS 68 14.134 -5.957 -0.583 522 HE2 LYS 68 2HE LYS 68 14.595 -4.748 -2.692 523 HE3 LYS 68 3HE LYS 68 15.638 -3.643 -1.800 524 HZ1 LYS 68 3HZ LYS 68 16.058 -6.574 -1.878 525 HZ2 LYS 68 1HZ LYS 68 17.127 -5.393 -1.296 526 HZ3 LYS 68 2HZ LYS 68 16.802 -5.501 -2.959 527 HA PRO 69 HA PRO 69 9.471 -1.886 -5.367 528 HB2 PRO 69 2HB PRO 69 12.209 -1.905 -6.536 529 HB3 PRO 69 3HB PRO 69 10.909 -0.727 -6.743 530 HG2 PRO 69 2HG PRO 69 12.996 -0.173 -5.194 531 HG3 PRO 69 3HG PRO 69 11.357 0.314 -4.710 532 HD2 PRO 69 2HD PRO 69 13.034 -1.951 -3.719 533 HD3 PRO 69 3HD PRO 69 11.932 -0.887 -2.823 534 H ASN 70 H ASN 70 8.469 -3.576 -6.157 535 HA ASN 70 HA ASN 70 7.998 -5.414 -7.380 536 HB2 ASN 70 2HB ASN 70 10.665 -4.663 -8.407 537 HB3 ASN 70 3HB ASN 70 10.131 -6.303 -8.759 538 HD21 ASN 70 1HD2 ASN 70 10.529 -3.976 -10.516 539 HD22 ASN 70 2HD2 ASN 70 9.015 -3.768 -11.340 540 H ASP 71 H ASP 71 9.424 -5.557 -4.657 541 HA ASP 71 HA ASP 71 10.378 -8.309 -4.788 542 HB2 ASP 71 2HB ASP 71 11.391 -6.415 -3.316 543 HB3 ASP 71 3HB ASP 71 10.026 -6.733 -2.249 544 H ARG 72 H ARG 72 9.158 -10.039 -4.215 545 HA ARG 72 HA ARG 72 6.339 -9.413 -3.690 546 HB2 ARG 72 2HB ARG 72 7.621 -11.910 -4.797 547 HB3 ARG 72 3HB ARG 72 5.904 -11.741 -4.472 548 HG2 ARG 72 2HG ARG 72 5.945 -9.775 -6.062 549 HG3 ARG 72 3HG ARG 72 7.557 -10.320 -6.525 550 HD2 ARG 72 2HD ARG 72 6.626 -12.517 -7.116 551 HD3 ARG 72 3HD ARG 72 5.014 -11.935 -6.700 552 HE ARG 72 HE ARG 72 6.611 -10.628 -8.808 553 HH11 ARG 72 1HH1 ARG 72 3.655 -12.226 -7.747 554 HH12 ARG 72 2HH1 ARG 72 2.827 -11.932 -9.242 555 HH21 ARG 72 1HH2 ARG 72 5.496 -10.246 -10.761 556 HH22 ARG 72 2HH2 ARG 72 3.864 -10.819 -10.946 557 H TYR 73 H TYR 73 5.347 -9.958 -1.902 558 HA TYR 73 HA TYR 73 6.496 -12.127 -0.276 559 HB2 TYR 73 2HB TYR 73 5.226 -9.544 0.605 560 HB3 TYR 73 3HB TYR 73 5.242 -10.951 1.663 561 HD1 TYR 73 HD2 TYR 73 7.293 -8.374 0.049 562 HD2 TYR 73 HD1 TYR 73 7.306 -11.750 2.639 563 HE1 TYR 73 HE2 TYR 73 9.576 -7.807 0.766 564 HE2 TYR 73 HE1 TYR 73 9.585 -11.192 3.365 565 HH TYR 73 HH TYR 73 11.120 -8.199 2.502 566 H LEU 74 H LEU 74 5.172 -13.748 0.308 567 HA LEU 74 HA LEU 74 2.652 -13.944 -1.082 568 HB2 LEU 74 2HB LEU 74 4.114 -15.874 -0.983 569 HB3 LEU 74 3HB LEU 74 4.099 -15.840 0.770 570 HG LEU 74 HG LEU 74 1.700 -16.402 0.757 571 HD11 LEU 74 1HD1 LEU 74 2.063 -16.623 -2.226 572 HD12 LEU 74 2HD1 LEU 74 1.095 -15.414 -1.381 573 HD13 LEU 74 3HD1 LEU 74 0.633 -17.115 -1.321 574 HD21 LEU 74 3HD2 LEU 74 1.935 -18.713 0.028 575 HD22 LEU 74 1HD2 LEU 74 3.367 -18.180 0.907 576 HD23 LEU 74 2HD2 LEU 74 3.406 -18.296 -0.853 577 H LEU 75 H LEU 75 0.750 -13.363 -0.286 578 HA LEU 75 HA LEU 75 0.453 -13.235 2.637 579 HB2 LEU 75 2HB LEU 75 -0.690 -11.371 0.561 580 HB3 LEU 75 3HB LEU 75 -1.126 -11.349 2.258 581 HG LEU 75 HG LEU 75 1.635 -10.799 1.159 582 HD11 LEU 75 1HD1 LEU 75 1.202 -8.488 1.834 583 HD12 LEU 75 2HD1 LEU 75 -0.444 -8.931 2.293 584 HD13 LEU 75 3HD1 LEU 75 0.058 -9.030 0.605 585 HD21 LEU 75 3HD2 LEU 75 0.548 -10.614 3.968 586 HD22 LEU 75 1HD2 LEU 75 2.147 -10.085 3.451 587 HD23 LEU 75 2HD2 LEU 75 1.718 -11.794 3.377 588 H ASN 76 H ASN 76 -0.633 -15.078 3.019 589 HA ASN 76 HA ASN 76 -3.020 -15.735 1.496 590 HB2 ASN 76 2HB ASN 76 -1.763 -17.005 3.943 591 HB3 ASN 76 3HB ASN 76 -3.240 -17.591 3.187 592 HD21 ASN 76 1HD2 ASN 76 -3.133 -18.648 1.229 593 HD22 ASN 76 2HD2 ASN 76 -1.642 -19.200 0.549 594 H GLU 77 H GLU 77 -2.270 -13.501 3.648 595 HA GLU 77 HA GLU 77 -4.817 -13.562 5.103 596 HB2 GLU 77 2HB GLU 77 -2.713 -13.359 6.422 597 HB3 GLU 77 3HB GLU 77 -2.341 -11.875 5.562 598 HG2 GLU 77 2HG GLU 77 -3.208 -11.217 7.629 599 HG3 GLU 77 3HG GLU 77 -4.509 -10.956 6.469 600 H TRP 78 H TRP 78 -6.344 -12.061 4.634 601 HA TRP 78 HA TRP 78 -5.776 -10.243 2.415 602 HB2 TRP 78 2HB TRP 78 -8.381 -11.077 3.711 603 HB3 TRP 78 3HB TRP 78 -8.253 -9.976 2.343 604 HD1 TRP 78 HD1 TRP 78 -7.768 -13.681 3.245 605 HE1 TRP 78 HE1 TRP 78 -7.888 -15.067 1.079 606 HE3 TRP 78 HE3 TRP 78 -7.950 -9.869 -0.149 607 HZ2 TRP 78 HZ2 TRP 78 -8.037 -14.608 -1.695 608 HZ3 TRP 78 HZ3 TRP 78 -8.084 -10.428 -2.541 609 HH2 TRP 78 HH2 TRP 78 -8.126 -12.748 -3.298 610 H LYS 79 H LYS 79 -5.210 -9.955 5.471 611 HA LYS 79 HA LYS 79 -6.183 -7.196 5.685 612 HB2 LYS 79 2HB LYS 79 -7.713 -8.626 6.967 613 HB3 LYS 79 3HB LYS 79 -6.358 -9.327 7.831 614 HG2 LYS 79 2HG LYS 79 -6.932 -6.391 7.985 615 HG3 LYS 79 3HG LYS 79 -7.791 -7.552 8.997 616 HD2 LYS 79 2HD LYS 79 -5.388 -8.397 9.573 617 HD3 LYS 79 3HD LYS 79 -4.902 -6.794 9.012 618 HE2 LYS 79 2HE LYS 79 -5.221 -6.709 11.387 619 HE3 LYS 79 3HE LYS 79 -6.518 -5.801 10.610 620 HZ1 LYS 79 3HZ LYS 79 -6.765 -8.606 11.557 621 HZ2 LYS 79 1HZ LYS 79 -8.010 -7.638 10.935 622 HZ3 LYS 79 2HZ LYS 79 -7.293 -7.255 12.427 623 H PHE 80 H PHE 80 -4.577 -5.812 6.240 624 HA PHE 80 HA PHE 80 -2.526 -6.620 8.080 625 HB2 PHE 80 2HB PHE 80 -1.900 -7.452 5.648 626 HB3 PHE 80 3HB PHE 80 -1.379 -5.779 5.456 627 HD1 PHE 80 HD2 PHE 80 -0.877 -8.871 7.390 628 HD2 PHE 80 HD1 PHE 80 0.602 -4.984 6.490 629 HE1 PHE 80 HE2 PHE 80 1.232 -9.411 8.538 630 HE2 PHE 80 HE1 PHE 80 2.709 -5.516 7.637 631 HZ PHE 80 HZ PHE 80 3.027 -7.729 8.666 632 H ARG 81 H ARG 81 -1.167 -4.903 8.761 633 HA ARG 81 HA ARG 81 -2.215 -2.243 8.079 634 HB2 ARG 81 2HB ARG 81 -0.808 -3.197 10.579 635 HB3 ARG 81 3HB ARG 81 -1.295 -1.537 10.279 636 HG2 ARG 81 2HG ARG 81 -3.647 -2.288 10.149 637 HG3 ARG 81 3HG ARG 81 -3.111 -3.919 10.556 638 HD2 ARG 81 2HD ARG 81 -3.893 -2.867 12.559 639 HD3 ARG 81 3HD ARG 81 -2.138 -3.013 12.655 640 HE ARG 81 HE ARG 81 -3.618 -0.514 12.098 641 HH11 ARG 81 1HH1 ARG 81 -0.735 -2.197 13.178 642 HH12 ARG 81 2HH1 ARG 81 0.049 -0.751 13.734 643 HH21 ARG 81 1HH2 ARG 81 -2.569 1.397 12.824 644 HH22 ARG 81 2HH2 ARG 81 -0.991 1.276 13.560 645 H LEU 82 H LEU 82 -0.895 -0.814 7.139 646 HA LEU 82 HA LEU 82 1.974 -1.478 7.019 647 HB2 LEU 82 2HB LEU 82 0.256 -0.226 4.874 648 HB3 LEU 82 3HB LEU 82 1.985 -0.492 4.759 649 HG LEU 82 HG LEU 82 -0.043 -2.708 5.060 650 HD11 LEU 82 1HD1 LEU 82 1.386 -1.756 2.580 651 HD12 LEU 82 2HD1 LEU 82 -0.323 -1.502 2.934 652 HD13 LEU 82 3HD1 LEU 82 0.295 -3.137 2.698 653 HD21 LEU 82 3HD2 LEU 82 2.890 -2.733 4.353 654 HD22 LEU 82 1HD2 LEU 82 1.824 -4.139 4.386 655 HD23 LEU 82 2HD2 LEU 82 2.185 -3.271 5.878 656 H TYR 83 H TYR 83 3.416 0.150 7.359 657 HA TYR 83 HA TYR 83 2.307 2.841 7.839 658 HB2 TYR 83 2HB TYR 83 4.697 1.458 9.053 659 HB3 TYR 83 3HB TYR 83 4.454 3.195 9.168 660 HD1 TYR 83 HD1 TYR 83 2.097 3.913 10.141 661 HD2 TYR 83 HD2 TYR 83 3.917 0.118 10.752 662 HE1 TYR 83 HE1 TYR 83 0.743 3.595 12.171 663 HE2 TYR 83 HE2 TYR 83 2.567 -0.212 12.776 664 HH TYR 83 HH TYR 83 1.402 1.215 14.460 665 H TYR 84 H TYR 84 2.798 4.283 6.322 666 HA TYR 84 HA TYR 84 5.185 3.793 4.668 667 HB2 TYR 84 2HB TYR 84 3.074 3.893 3.410 668 HB3 TYR 84 3HB TYR 84 2.754 5.493 4.068 669 HD1 TYR 84 HD2 TYR 84 5.427 3.686 2.184 670 HD2 TYR 84 HD1 TYR 84 3.299 7.322 2.762 671 HE1 TYR 84 HE2 TYR 84 6.660 4.696 0.315 672 HE2 TYR 84 HE1 TYR 84 4.525 8.343 0.888 673 HH TYR 84 HH TYR 84 6.479 6.496 -1.260 674 H THR 85 H THR 85 6.875 4.884 5.386 675 HA THR 85 HA THR 85 6.520 7.550 6.520 676 HB THR 85 HB THR 85 9.069 5.947 6.199 677 HG1 THR 85 HG1 THR 85 8.784 5.494 8.426 678 HG21 THR 85 3HG2 THR 85 9.419 8.378 6.373 679 HG22 THR 85 1HG2 THR 85 10.002 7.532 7.807 680 HG23 THR 85 2HG2 THR 85 8.469 8.400 7.859 681 H SER 86 H SER 86 6.706 9.310 5.322 682 HA SER 86 HA SER 86 7.458 9.177 2.573 683 HB2 SER 86 2HB SER 86 7.203 11.694 2.715 684 HB3 SER 86 3HB SER 86 5.776 10.764 3.169 685 HG SER 86 HG SER 86 6.458 12.560 4.598 686 H GLN 87 H GLN 87 9.445 9.234 1.784 687 HA GLN 87 HA GLN 87 11.574 10.376 3.450 688 HB2 GLN 87 2HB GLN 87 11.712 8.420 1.148 689 HB3 GLN 87 3HB GLN 87 13.131 9.142 1.904 690 HG2 GLN 87 2HG GLN 87 12.326 8.196 4.085 691 HG3 GLN 87 3HG GLN 87 11.102 7.319 3.170 692 HE21 GLN 87 1HE2 GLN 87 12.858 6.851 0.909 693 HE22 GLN 87 2HE2 GLN 87 13.980 5.632 1.400 694 H SER 88 H SER 88 9.523 11.338 1.189 695 HA SER 88 HA SER 88 11.440 13.172 -0.075 696 HB2 SER 88 2HB SER 88 8.508 12.836 -0.757 697 HB3 SER 88 3HB SER 88 9.760 13.616 -1.725 698 HG SER 88 HG SER 88 9.554 10.850 -1.099 699 H ASP 89 H ASP 89 11.297 15.361 0.343 700 HA ASP 89 HA ASP 89 9.882 15.967 2.817 701 HB2 ASP 89 2HB ASP 89 11.350 17.915 2.975 702 HB3 ASP 89 3HB ASP 89 12.284 16.448 2.715 703 H LYS 90 H LYS 90 9.852 16.910 -0.553 704 HA LYS 90 HA LYS 90 7.480 18.528 -0.015 705 HB2 LYS 90 2HB LYS 90 8.312 20.419 -1.335 706 HB3 LYS 90 3HB LYS 90 9.310 20.142 0.085 707 HG2 LYS 90 2HG LYS 90 11.004 19.071 -1.261 708 HG3 LYS 90 3HG LYS 90 9.987 19.204 -2.698 709 HD2 LYS 90 2HD LYS 90 11.710 20.939 -2.659 710 HD3 LYS 90 3HD LYS 90 10.092 21.637 -2.560 711 HE2 LYS 90 2HE LYS 90 10.332 21.926 -0.169 712 HE3 LYS 90 3HE LYS 90 11.906 21.137 -0.203 713 HZ1 LYS 90 3HZ LYS 90 12.766 22.929 -1.544 714 HZ2 LYS 90 1HZ LYS 90 12.084 23.556 -0.125 715 HZ3 LYS 90 2HZ LYS 90 11.248 23.680 -1.594 716 H GLU 91 H GLU 91 8.713 16.089 -1.667 717 HA GLU 91 HA GLU 91 7.563 16.870 -4.253 718 HB2 GLU 91 2HB GLU 91 10.024 16.252 -4.092 719 HB3 GLU 91 3HB GLU 91 9.497 14.609 -3.759 720 HG2 GLU 91 2HG GLU 91 8.801 14.249 -5.894 721 HG3 GLU 91 3HG GLU 91 8.426 15.951 -6.177 722 H ALA 92 H ALA 92 6.288 15.353 -5.391 723 HA ALA 92 HA ALA 92 4.349 14.090 -3.797 724 HB1 ALA 92 3HB ALA 92 4.841 13.746 -6.750 725 HB2 ALA 92 1HB ALA 92 3.889 15.036 -6.015 726 HB3 ALA 92 2HB ALA 92 3.356 13.359 -5.882 727 H GLN 93 H GLN 93 3.761 11.898 -3.657 728 HA GLN 93 HA GLN 93 5.907 9.970 -4.230 729 HB2 GLN 93 2HB GLN 93 4.360 10.216 -1.650 730 HB3 GLN 93 3HB GLN 93 5.464 8.905 -2.036 731 HG2 GLN 93 2HG GLN 93 7.333 10.397 -2.057 732 HG3 GLN 93 3HG GLN 93 6.277 11.800 -1.899 733 HE21 GLN 93 1HE2 GLN 93 4.549 10.504 0.047 734 HE22 GLN 93 2HE2 GLN 93 5.425 10.466 1.527 735 H THR 94 H THR 94 4.918 8.837 -5.817 736 HA THR 94 HA THR 94 2.154 7.929 -5.352 737 HB THR 94 HB THR 94 3.670 7.815 -7.964 738 HG1 THR 94 HG1 THR 94 3.534 9.998 -7.395 739 HG21 THR 94 3HG2 THR 94 1.416 7.701 -8.931 740 HG22 THR 94 1HG2 THR 94 0.719 7.763 -7.314 741 HG23 THR 94 2HG2 THR 94 1.695 6.377 -7.798 742 H ILE 95 H ILE 95 2.022 5.915 -4.537 743 HA ILE 95 HA ILE 95 4.121 3.991 -5.320 744 HB ILE 95 HB ILE 95 3.833 2.840 -3.211 745 HG12 ILE 95 2HG1 ILE 95 1.808 4.976 -2.492 746 HG13 ILE 95 3HG1 ILE 95 1.407 3.315 -2.917 747 HG21 ILE 95 1HG2 ILE 95 4.140 5.808 -2.763 748 HG22 ILE 95 2HG2 ILE 95 5.409 4.711 -3.300 749 HG23 ILE 95 3HG2 ILE 95 4.712 4.528 -1.692 750 HD11 ILE 95 3HD1 ILE 95 1.361 3.611 -0.519 751 HD12 ILE 95 1HD1 ILE 95 3.024 4.199 -0.537 752 HD13 ILE 95 2HD1 ILE 95 2.676 2.527 -0.973 753 H ASP 96 H ASP 96 3.531 1.971 -5.999 754 HA ASP 96 HA ASP 96 0.642 1.522 -6.371 755 HB2 ASP 96 2HB ASP 96 2.989 0.707 -8.084 756 HB3 ASP 96 3HB ASP 96 1.400 -0.026 -8.257 757 H LEU 97 H LEU 97 -0.229 -0.167 -5.405 758 HA LEU 97 HA LEU 97 1.532 -2.306 -4.413 759 HB2 LEU 97 2HB LEU 97 -1.252 -1.480 -3.584 760 HB3 LEU 97 3HB LEU 97 -0.445 -2.915 -2.985 761 HG LEU 97 HG LEU 97 0.501 -0.076 -2.574 762 HD11 LEU 97 1HD1 LEU 97 -1.532 -0.618 -1.311 763 HD12 LEU 97 2HD1 LEU 97 -0.134 -0.411 -0.255 764 HD13 LEU 97 3HD1 LEU 97 -0.723 -2.031 -0.632 765 HD21 LEU 97 3HD2 LEU 97 2.122 -1.085 -1.040 766 HD22 LEU 97 1HD2 LEU 97 2.352 -1.654 -2.694 767 HD23 LEU 97 2HD2 LEU 97 1.560 -2.690 -1.505 768 H TYR 98 H TYR 98 1.644 -3.949 -5.803 769 HA TYR 98 HA TYR 98 -0.676 -4.541 -7.487 770 HB2 TYR 98 2HB TYR 98 2.136 -5.636 -7.621 771 HB3 TYR 98 3HB TYR 98 0.851 -5.973 -8.772 772 HD1 TYR 98 HD1 TYR 98 -0.195 -3.841 -9.927 773 HD2 TYR 98 HD2 TYR 98 3.637 -3.957 -8.080 774 HE1 TYR 98 HE1 TYR 98 0.509 -1.906 -11.274 775 HE2 TYR 98 HE2 TYR 98 4.346 -2.022 -9.412 776 HH TYR 98 HH TYR 98 2.195 -0.079 -11.138 777 H PHE 99 H PHE 99 -2.087 -5.851 -6.551 778 HA PHE 99 HA PHE 99 -1.129 -8.205 -5.085 779 HB2 PHE 99 2HB PHE 99 -3.912 -7.062 -5.429 780 HB3 PHE 99 3HB PHE 99 -3.538 -8.519 -4.516 781 HD1 PHE 99 HD1 PHE 99 -2.439 -8.390 -2.368 782 HD2 PHE 99 HD2 PHE 99 -3.355 -4.870 -4.575 783 HE1 PHE 99 HE1 PHE 99 -2.068 -7.036 -0.350 784 HE2 PHE 99 HE2 PHE 99 -2.979 -3.508 -2.560 785 HZ PHE 99 HZ PHE 99 -2.335 -4.590 -0.443 786 H GLU 100 H GLU 100 -0.847 -10.014 -6.242 787 HA GLU 100 HA GLU 100 -2.421 -10.299 -8.714 788 HB2 GLU 100 2HB GLU 100 0.511 -10.916 -8.332 789 HB3 GLU 100 3HB GLU 100 -0.416 -11.277 -9.782 790 HG2 GLU 100 2HG GLU 100 -0.825 -8.917 -10.144 791 HG3 GLU 100 3HG GLU 100 0.042 -8.525 -8.660 792 H ASP 101 H ASP 101 -3.445 -12.127 -8.964 793 HA ASP 101 HA ASP 101 -2.830 -14.456 -7.299 794 HB2 ASP 101 2HB ASP 101 -5.134 -13.557 -8.931 795 HB3 ASP 101 3HB ASP 101 -4.819 -15.284 -8.971 796 H ASN 102 H ASN 102 -2.247 -16.466 -8.209 797 HA ASN 102 HA ASN 102 -0.841 -16.456 -10.684 798 HB2 ASN 102 2HB ASN 102 -1.726 -18.643 -8.808 799 HB3 ASN 102 3HB ASN 102 -0.959 -19.019 -10.349 800 HD21 ASN 102 1HD2 ASN 102 0.776 -19.979 -9.247 801 HD22 ASN 102 2HD2 ASN 102 1.995 -19.018 -8.471 802 H TRP 103 H TRP 103 -4.092 -16.989 -9.723 803 HA TRP 103 HA TRP 103 -5.158 -18.350 -11.913 804 HB2 TRP 103 2HB TRP 103 -6.304 -17.732 -9.736 805 HB3 TRP 103 3HB TRP 103 -6.504 -16.112 -10.390 806 HD1 TRP 103 HD1 TRP 103 -7.832 -19.654 -10.695 807 HE1 TRP 103 HE1 TRP 103 -10.019 -19.620 -12.059 808 HE3 TRP 103 HE3 TRP 103 -7.731 -14.792 -12.272 809 HZ2 TRP 103 HZ2 TRP 103 -11.492 -17.775 -13.603 810 HZ3 TRP 103 HZ3 TRP 103 -9.562 -13.970 -13.689 811 HH2 TRP 103 HH2 TRP 103 -11.407 -15.433 -14.342 812 H GLY 104 H GLY 104 -4.181 -15.015 -11.520 813 HA2 GLY 104 2HA GLY 104 -3.601 -13.849 -13.623 814 HA3 GLY 104 3HA GLY 104 -5.121 -14.454 -14.264 815 H ASN 105 H ASN 105 -5.214 -13.490 -10.989 816 HA ASN 105 HA ASN 105 -6.874 -11.208 -11.666 817 HB2 ASN 105 2HB ASN 105 -6.163 -12.472 -9.013 818 HB3 ASN 105 3HB ASN 105 -7.190 -11.053 -9.169 819 HD21 ASN 105 1HD2 ASN 105 -7.730 -13.708 -8.092 820 HD22 ASN 105 2HD2 ASN 105 -9.085 -14.314 -8.992 821 H LEU 106 H LEU 106 -5.965 -9.300 -12.017 822 HA LEU 106 HA LEU 106 -3.581 -8.571 -10.450 823 HB2 LEU 106 2HB LEU 106 -3.129 -8.551 -12.816 824 HB3 LEU 106 3HB LEU 106 -4.564 -7.598 -13.132 825 HG LEU 106 HG LEU 106 -3.544 -5.690 -11.931 826 HD11 LEU 106 1HD1 LEU 106 -1.105 -7.457 -11.800 827 HD12 LEU 106 2HD1 LEU 106 -2.083 -6.937 -10.428 828 HD13 LEU 106 3HD1 LEU 106 -1.172 -5.751 -11.363 829 HD21 LEU 106 3HD2 LEU 106 -3.325 -5.877 -14.352 830 HD22 LEU 106 1HD2 LEU 106 -1.853 -6.827 -14.152 831 HD23 LEU 106 2HD2 LEU 106 -1.890 -5.141 -13.640 832 H GLN 107 H GLN 107 -4.066 -7.339 -8.779 833 HA GLN 107 HA GLN 107 -6.052 -5.190 -9.160 834 HB2 GLN 107 2HB GLN 107 -5.374 -6.750 -6.657 835 HB3 GLN 107 3HB GLN 107 -6.299 -5.261 -6.635 836 HG2 GLN 107 2HG GLN 107 -7.897 -6.951 -6.536 837 HG3 GLN 107 3HG GLN 107 -7.920 -6.415 -8.214 838 HE21 GLN 107 1HE2 GLN 107 -5.454 -8.495 -6.809 839 HE22 GLN 107 2HE2 GLN 107 -5.870 -9.902 -7.720 840 H GLN 108 H GLN 108 -5.043 -3.306 -9.363 841 HA GLN 108 HA GLN 108 -2.486 -2.965 -7.943 842 HB2 GLN 108 2HB GLN 108 -1.903 -1.313 -9.717 843 HB3 GLN 108 3HB GLN 108 -2.073 -2.963 -10.298 844 HG2 GLN 108 2HG GLN 108 -4.343 -2.406 -11.099 845 HG3 GLN 108 3HG GLN 108 -4.074 -0.736 -10.598 846 HE21 GLN 108 1HE2 GLN 108 -3.248 -3.210 -12.881 847 HE22 GLN 108 2HE2 GLN 108 -2.429 -2.187 -14.007 848 H LEU 109 H LEU 109 -2.725 -1.764 -6.220 849 HA LEU 109 HA LEU 109 -4.729 0.370 -6.221 850 HB2 LEU 109 2HB LEU 109 -3.104 -0.797 -3.959 851 HB3 LEU 109 3HB LEU 109 -4.313 0.461 -3.786 852 HG LEU 109 HG LEU 109 -4.848 -2.368 -4.699 853 HD11 LEU 109 1HD1 LEU 109 -5.451 -0.972 -2.094 854 HD12 LEU 109 2HD1 LEU 109 -4.285 -2.273 -2.340 855 HD13 LEU 109 3HD1 LEU 109 -6.009 -2.584 -2.545 856 HD21 LEU 109 3HD2 LEU 109 -6.735 -0.076 -4.153 857 HD22 LEU 109 1HD2 LEU 109 -7.215 -1.740 -4.491 858 HD23 LEU 109 2HD2 LEU 109 -6.387 -0.794 -5.726 859 H THR 110 H THR 110 -3.971 2.213 -7.011 860 HA THR 110 HA THR 110 -1.199 2.978 -6.577 861 HB THR 110 HB THR 110 -3.357 4.427 -8.125 862 HG1 THR 110 HG1 THR 110 -1.309 2.648 -9.046 863 HG21 THR 110 3HG2 THR 110 -0.346 4.701 -8.152 864 HG22 THR 110 1HG2 THR 110 -1.492 5.869 -7.490 865 HG23 THR 110 2HG2 THR 110 -1.461 5.548 -9.223 866 H TYR 111 H TYR 111 -0.738 3.976 -4.736 867 HA TYR 111 HA TYR 111 -2.712 5.849 -3.609 868 HB2 TYR 111 2HB TYR 111 -0.461 4.311 -2.307 869 HB3 TYR 111 3HB TYR 111 -1.291 5.639 -1.505 870 HD1 TYR 111 HD2 TYR 111 -3.710 5.424 -0.958 871 HD2 TYR 111 HD1 TYR 111 -1.441 2.141 -2.432 872 HE1 TYR 111 HE2 TYR 111 -5.434 3.876 -0.141 873 HE2 TYR 111 HE1 TYR 111 -3.160 0.584 -1.613 874 HH TYR 111 HH TYR 111 -6.231 1.586 -0.629 875 H ASP 112 H ASP 112 -2.301 7.832 -4.337 876 HA ASP 112 HA ASP 112 0.485 8.674 -4.603 877 HB2 ASP 112 2HB ASP 112 -0.416 10.582 -5.913 878 HB3 ASP 112 3HB ASP 112 -0.798 9.015 -6.613 879 H PHE 113 H PHE 113 1.346 9.685 -3.005 880 HA PHE 113 HA PHE 113 -0.346 11.236 -1.168 881 HB2 PHE 113 2HB PHE 113 2.422 10.088 -0.753 882 HB3 PHE 113 3HB PHE 113 1.506 10.991 0.448 883 HD1 PHE 113 HD1 PHE 113 -0.606 10.015 1.350 884 HD2 PHE 113 HD2 PHE 113 2.092 7.788 -1.071 885 HE1 PHE 113 HE1 PHE 113 -1.612 7.918 2.161 886 HE2 PHE 113 HE2 PHE 113 1.090 5.690 -0.273 887 HZ PHE 113 HZ PHE 113 -0.764 5.755 1.349 888 H ASN 114 H ASN 114 0.225 13.306 -0.601 889 HA ASN 114 HA ASN 114 1.117 15.380 -0.738 890 HB2 ASN 114 2HB ASN 114 3.327 14.296 -0.411 891 HB3 ASN 114 3HB ASN 114 3.467 14.099 -2.156 892 HD21 ASN 114 1HD2 ASN 114 3.589 16.306 0.501 893 HD22 ASN 114 2HD2 ASN 114 4.218 17.654 -0.377 894 H GLY 115 H GLY 115 -0.119 16.555 -1.977 895 HA2 GLY 115 2HA GLY 115 -0.081 16.186 -4.876 896 HA3 GLY 115 3HA GLY 115 -1.148 17.256 -3.971 897 H LYS 116 H LYS 116 0.798 18.528 -2.423 898 HA LYS 116 HA LYS 116 2.987 19.591 -3.771 899 HB2 LYS 116 2HB LYS 116 1.310 20.507 -5.323 900 HB3 LYS 116 3HB LYS 116 0.512 21.316 -3.980 901 HG2 LYS 116 2HG LYS 116 2.607 22.588 -3.586 902 HG3 LYS 116 3HG LYS 116 3.261 21.871 -5.061 903 HD2 LYS 116 2HD LYS 116 0.710 23.458 -4.923 904 HD3 LYS 116 3HD LYS 116 2.274 24.134 -5.382 905 HE2 LYS 116 2HE LYS 116 2.393 22.691 -7.300 906 HE3 LYS 116 3HE LYS 116 0.941 21.826 -6.791 907 HZ1 LYS 116 3HZ LYS 116 -0.380 23.732 -7.204 908 HZ2 LYS 116 1HZ LYS 116 0.589 23.508 -8.577 909 HZ3 LYS 116 2HZ LYS 116 0.972 24.717 -7.453 910 H LEU 117 H LEU 117 0.451 19.879 -1.416 911 HA LEU 117 HA LEU 117 0.412 20.570 0.737 912 HB2 LEU 117 2HB LEU 117 3.311 21.291 0.312 913 HB3 LEU 117 3HB LEU 117 2.465 21.490 1.831 914 HG LEU 117 HG LEU 117 2.919 18.853 0.434 915 HD11 LEU 117 1HD1 LEU 117 4.991 19.809 1.286 916 HD12 LEU 117 2HD1 LEU 117 4.502 18.412 2.245 917 HD13 LEU 117 3HD1 LEU 117 4.244 20.041 2.868 918 HD21 LEU 117 3HD2 LEU 117 0.873 18.865 1.756 919 HD22 LEU 117 1HD2 LEU 117 1.763 19.483 3.148 920 HD23 LEU 117 2HD2 LEU 117 2.110 17.870 2.524 921 H GLU 118 H GLU 118 -0.039 22.476 1.853 922 HA GLU 118 HA GLU 118 -0.280 24.803 0.097 923 HB2 GLU 118 2HB GLU 118 -2.316 24.031 1.207 924 HB3 GLU 118 3HB GLU 118 -1.540 24.167 2.776 925 HG2 GLU 118 2HG GLU 118 -3.047 26.018 2.400 926 HG3 GLU 118 3HG GLU 118 -1.382 26.586 2.498 927 H HIS 119 H HIS 119 0.413 26.865 0.738 928 HA HIS 119 HA HIS 119 2.888 26.880 2.179 929 HB2 HIS 119 2HB HIS 119 1.205 29.164 1.121 930 HB3 HIS 119 3HB HIS 119 2.817 29.346 1.800 931 HD1 HIS 119 HD1 HIS 119 4.799 28.813 0.302 932 HD2 HIS 119 HD2 HIS 119 1.123 27.908 -1.426 933 HE1 HIS 119 HE1 HIS 119 5.287 28.328 -2.112 934 HE2 HIS 119 HE2 HIS 119 3.021 28.048 -3.184 935 H HIS 120 H HIS 120 -0.313 28.281 2.751 936 HA HIS 120 HA HIS 120 -0.061 27.766 5.581 937 HB2 HIS 120 2HB HIS 120 -0.733 30.140 6.164 938 HB3 HIS 120 3HB HIS 120 0.926 29.937 5.618 939 HD1 HIS 120 HD1 HIS 120 1.629 31.155 3.490 940 HD2 HIS 120 HD2 HIS 120 -2.423 31.543 4.355 941 HE1 HIS 120 HE1 HIS 120 0.771 32.943 1.945 942 HE2 HIS 120 HE2 HIS 120 -1.644 33.263 2.585 943 H HIS 121 H HIS 121 -1.965 26.945 6.221 944 HA HIS 121 HA HIS 121 -4.292 27.604 4.550 945 HB2 HIS 121 2HB HIS 121 -5.117 25.264 4.963 946 HB3 HIS 121 3HB HIS 121 -3.697 25.388 3.938 947 HD1 HIS 121 HD1 HIS 121 -4.971 23.756 6.956 948 HD2 HIS 121 HD2 HIS 121 -1.249 24.565 5.277 949 HE1 HIS 121 HE1 HIS 121 -3.353 22.212 8.105 950 HE2 HIS 121 HE2 HIS 121 -1.169 22.552 6.898 951 H HIS 122 H HIS 122 -5.055 29.143 5.898 952 HA HIS 122 HA HIS 122 -6.244 28.117 8.387 953 HB2 HIS 122 2HB HIS 122 -6.342 30.474 9.171 954 HB3 HIS 122 3HB HIS 122 -4.699 29.909 8.917 955 HD1 HIS 122 HD1 HIS 122 -3.255 31.208 7.330 956 HD2 HIS 122 HD2 HIS 122 -7.250 32.371 7.184 957 HE1 HIS 122 HE1 HIS 122 -3.310 33.290 5.917 958 HE2 HIS 122 HE2 HIS 122 -5.747 33.920 5.750 959 H HIS 123 H HIS 123 -7.130 27.959 5.602 960 HA HIS 123 HA HIS 123 -9.741 29.293 5.885 961 HB2 HIS 123 2HB HIS 123 -8.454 30.316 4.057 962 HB3 HIS 123 3HB HIS 123 -8.192 28.733 3.338 963 HD1 HIS 123 HD1 HIS 123 -10.194 27.661 2.060 964 HD2 HIS 123 HD2 HIS 123 -10.967 31.450 3.599 965 HE1 HIS 123 HE1 HIS 123 -12.318 28.425 0.958 966 HE2 HIS 123 HE2 HIS 123 -12.624 30.805 1.718 967 H HIS 124 H HIS 124 -11.417 27.899 5.925 968 HA HIS 124 HA HIS 124 -10.859 25.088 5.276 969 HB2 HIS 124 2HB HIS 124 -11.737 25.884 7.589 970 HB3 HIS 124 3HB HIS 124 -13.281 26.071 6.767 971 HD1 HIS 124 HD1 HIS 124 -14.594 23.936 6.216 972 HD2 HIS 124 HD2 HIS 124 -10.854 23.209 7.889 973 HE1 HIS 124 HE1 HIS 124 -14.586 21.497 6.821 974 HE2 HIS 124 HE2 HIS 124 -12.379 21.117 7.989 Start of MODEL 9 1 H1 MET 1 1H MET 1 -28.710 11.792 -11.479 2 H2 MET 1 2H MET 1 -28.604 13.383 -12.047 3 H3 MET 1 3H MET 1 -28.715 13.082 -10.382 4 HA MET 1 HA MET 1 -26.479 12.188 -12.098 5 HB2 MET 1 2HB MET 1 -25.152 13.975 -11.062 6 HB3 MET 1 3HB MET 1 -26.504 14.630 -11.970 7 HG2 MET 1 2HG MET 1 -26.527 15.917 -10.071 8 HG3 MET 1 3HG MET 1 -27.707 14.672 -9.674 9 HE1 MET 1 3HE MET 1 -24.070 16.010 -9.110 10 HE2 MET 1 1HE MET 1 -23.777 14.391 -9.744 11 HE3 MET 1 2HE MET 1 -23.381 14.764 -8.068 12 H ASN 2 H ASN 2 -24.557 11.686 -10.680 13 HA ASN 2 HA ASN 2 -23.629 10.303 -9.139 14 HB2 ASN 2 2HB ASN 2 -24.277 12.104 -7.553 15 HB3 ASN 2 3HB ASN 2 -25.819 11.300 -7.297 16 HD21 ASN 2 1HD2 ASN 2 -22.692 9.715 -7.647 17 HD22 ASN 2 2HD2 ASN 2 -22.632 9.088 -6.030 18 H GLU 3 H GLU 3 -24.138 8.463 -10.302 19 HA GLU 3 HA GLU 3 -26.770 7.293 -9.992 20 HB2 GLU 3 2HB GLU 3 -25.083 7.431 -12.101 21 HB3 GLU 3 3HB GLU 3 -24.692 5.828 -11.489 22 HG2 GLU 3 2HG GLU 3 -26.425 5.772 -13.213 23 HG3 GLU 3 3HG GLU 3 -26.999 5.152 -11.665 24 H LEU 4 H LEU 4 -27.185 5.242 -9.170 25 HA LEU 4 HA LEU 4 -25.331 4.505 -7.061 26 HB2 LEU 4 2HB LEU 4 -28.157 3.603 -7.600 27 HB3 LEU 4 3HB LEU 4 -27.201 3.135 -6.207 28 HG LEU 4 HG LEU 4 -28.085 5.949 -6.860 29 HD11 LEU 4 1HD1 LEU 4 -29.030 4.030 -4.740 30 HD12 LEU 4 2HD1 LEU 4 -29.938 4.534 -6.166 31 HD13 LEU 4 3HD1 LEU 4 -29.536 5.710 -4.914 32 HD21 LEU 4 3HD2 LEU 4 -25.933 5.868 -5.686 33 HD22 LEU 4 1HD2 LEU 4 -26.659 4.863 -4.434 34 HD23 LEU 4 2HD2 LEU 4 -27.213 6.523 -4.664 35 H ASP 5 H ASP 5 -23.731 3.413 -8.144 36 HA ASP 5 HA ASP 5 -24.444 0.920 -9.488 37 HB2 ASP 5 2HB ASP 5 -21.911 2.502 -9.223 38 HB3 ASP 5 3HB ASP 5 -21.810 0.782 -9.573 39 H ILE 6 H ILE 6 -25.380 0.149 -7.439 40 HA ILE 6 HA ILE 6 -23.326 -0.727 -5.533 41 HB ILE 6 HB ILE 6 -25.262 -0.972 -3.913 42 HG12 ILE 6 2HG1 ILE 6 -26.651 0.788 -5.951 43 HG13 ILE 6 3HG1 ILE 6 -27.061 -0.893 -5.624 44 HG21 ILE 6 1HG2 ILE 6 -25.240 1.397 -3.326 45 HG22 ILE 6 2HG2 ILE 6 -24.585 1.790 -4.915 46 HG23 ILE 6 3HG2 ILE 6 -23.633 0.832 -3.780 47 HD11 ILE 6 3HD1 ILE 6 -28.609 0.614 -4.520 48 HD12 ILE 6 1HD1 ILE 6 -27.271 1.391 -3.671 49 HD13 ILE 6 2HD1 ILE 6 -27.671 -0.293 -3.334 50 H GLN 7 H GLN 7 -22.760 -2.740 -5.975 51 HA GLN 7 HA GLN 7 -24.511 -4.697 -7.069 52 HB2 GLN 7 2HB GLN 7 -22.065 -4.785 -7.346 53 HB3 GLN 7 3HB GLN 7 -21.881 -5.043 -5.618 54 HG2 GLN 7 2HG GLN 7 -23.061 -7.161 -5.794 55 HG3 GLN 7 3HG GLN 7 -23.284 -6.901 -7.523 56 HE21 GLN 7 1HE2 GLN 7 -22.173 -8.778 -8.027 57 HE22 GLN 7 2HE2 GLN 7 -20.455 -8.894 -7.889 58 H GLN 8 H GLN 8 -25.994 -5.860 -6.073 59 HA GLN 8 HA GLN 8 -26.854 -5.358 -3.489 60 HB2 GLN 8 2HB GLN 8 -27.352 -7.800 -5.202 61 HB3 GLN 8 3HB GLN 8 -28.246 -7.412 -3.740 62 HG2 GLN 8 2HG GLN 8 -29.571 -6.751 -5.589 63 HG3 GLN 8 3HG GLN 8 -28.960 -5.284 -4.831 64 HE21 GLN 8 1HE2 GLN 8 -29.232 -4.064 -6.674 65 HE22 GLN 8 2HE2 GLN 8 -28.217 -4.245 -8.071 66 H GLU 9 H GLU 9 -24.963 -8.104 -4.675 67 HA GLU 9 HA GLU 9 -24.249 -8.716 -1.888 68 HB2 GLU 9 2HB GLU 9 -23.776 -11.040 -2.766 69 HB3 GLU 9 3HB GLU 9 -25.471 -10.573 -2.737 70 HG2 GLU 9 2HG GLU 9 -25.496 -10.213 -5.087 71 HG3 GLU 9 3HG GLU 9 -23.743 -10.369 -5.189 72 H TYR 10 H TYR 10 -22.213 -8.131 -1.442 73 HA TYR 10 HA TYR 10 -20.278 -8.188 -3.642 74 HB2 TYR 10 2HB TYR 10 -18.851 -6.751 -2.147 75 HB3 TYR 10 3HB TYR 10 -20.343 -6.006 -2.694 76 HD1 TYR 10 HD1 TYR 10 -22.293 -5.875 -1.062 77 HD2 TYR 10 HD2 TYR 10 -18.358 -6.942 0.141 78 HE1 TYR 10 HE1 TYR 10 -22.856 -5.308 1.266 79 HE2 TYR 10 HE2 TYR 10 -18.909 -6.386 2.469 80 HH TYR 10 HH TYR 10 -20.511 -4.940 3.682 81 HA PRO 11 HA PRO 11 -18.781 -11.758 -1.387 82 HB2 PRO 11 2HB PRO 11 -17.912 -13.114 -3.527 83 HB3 PRO 11 3HB PRO 11 -19.635 -12.957 -3.169 84 HG2 PRO 11 2HG PRO 11 -18.002 -11.601 -5.241 85 HG3 PRO 11 3HG PRO 11 -19.714 -12.051 -5.269 86 HD2 PRO 11 2HD PRO 11 -18.624 -9.495 -4.701 87 HD3 PRO 11 3HD PRO 11 -20.318 -9.997 -4.539 88 H PHE 12 H PHE 12 -17.153 -9.328 -3.014 89 HA PHE 12 HA PHE 12 -14.621 -10.143 -1.827 90 HB2 PHE 12 2HB PHE 12 -14.672 -10.883 -4.258 91 HB3 PHE 12 3HB PHE 12 -14.759 -9.181 -4.692 92 HD1 PHE 12 HD2 PHE 12 -12.662 -11.836 -3.325 93 HD2 PHE 12 HD1 PHE 12 -12.844 -7.736 -4.448 94 HE1 PHE 12 HE2 PHE 12 -10.209 -11.707 -3.229 95 HE2 PHE 12 HE1 PHE 12 -10.388 -7.601 -4.363 96 HZ PHE 12 HZ PHE 12 -9.069 -9.588 -3.752 97 H THR 13 H THR 13 -14.476 -8.521 -0.414 98 HA THR 13 HA THR 13 -15.255 -5.821 -1.250 99 HB THR 13 HB THR 13 -14.634 -6.662 1.570 100 HG1 THR 13 HG1 THR 13 -16.186 -8.139 0.912 101 HG21 THR 13 3HG2 THR 13 -16.214 -4.886 2.126 102 HG22 THR 13 1HG2 THR 13 -16.522 -4.608 0.411 103 HG23 THR 13 2HG2 THR 13 -14.929 -4.267 1.088 104 H VAL 14 H VAL 14 -13.793 -4.214 -1.414 105 HA VAL 14 HA VAL 14 -11.150 -4.589 -0.171 106 HB VAL 14 HB VAL 14 -11.683 -3.182 -2.801 107 HG11 VAL 14 1HG1 VAL 14 -9.870 -2.163 -1.503 108 HG12 VAL 14 2HG1 VAL 14 -9.263 -2.957 -2.955 109 HG13 VAL 14 3HG1 VAL 14 -9.077 -3.735 -1.384 110 HG21 VAL 14 3HG2 VAL 14 -10.309 -5.806 -2.245 111 HG22 VAL 14 1HG2 VAL 14 -10.344 -4.990 -3.807 112 HG23 VAL 14 2HG2 VAL 14 -11.842 -5.582 -3.085 113 H GLU 15 H GLU 15 -11.227 -3.275 1.556 114 HA GLU 15 HA GLU 15 -12.320 -0.567 1.154 115 HB2 GLU 15 2HB GLU 15 -12.187 -2.089 3.763 116 HB3 GLU 15 3HB GLU 15 -12.920 -0.511 3.504 117 HG2 GLU 15 2HG GLU 15 -14.383 -1.813 1.771 118 HG3 GLU 15 3HG GLU 15 -13.902 -3.211 2.733 119 H SER 16 H SER 16 -11.232 1.168 2.104 120 HA SER 16 HA SER 16 -8.587 0.634 3.234 121 HB2 SER 16 2HB SER 16 -8.303 0.915 0.769 122 HB3 SER 16 3HB SER 16 -9.044 2.509 0.892 123 HG SER 16 HG SER 16 -6.551 2.084 1.050 124 H MET 17 H MET 17 -7.935 2.171 4.693 125 HA MET 17 HA MET 17 -9.881 4.065 5.624 126 HB2 MET 17 2HB MET 17 -6.996 3.592 6.398 127 HB3 MET 17 3HB MET 17 -8.037 4.766 7.185 128 HG2 MET 17 2HG MET 17 -8.696 1.841 7.040 129 HG3 MET 17 3HG MET 17 -7.748 2.547 8.345 130 HE1 MET 17 3HE MET 17 -11.265 1.874 6.897 131 HE2 MET 17 1HE MET 17 -11.077 3.543 6.358 132 HE3 MET 17 2HE MET 17 -12.263 3.148 7.602 133 HA PRO 18 HA PRO 18 -8.840 7.419 2.954 134 HB2 PRO 18 2HB PRO 18 -9.488 9.506 4.639 135 HB3 PRO 18 3HB PRO 18 -10.658 8.592 3.681 136 HG2 PRO 18 2HG PRO 18 -9.922 8.296 6.563 137 HG3 PRO 18 3HG PRO 18 -11.519 8.207 5.798 138 HD2 PRO 18 2HD PRO 18 -10.182 5.994 6.535 139 HD3 PRO 18 3HD PRO 18 -11.191 6.032 5.073 140 H VAL 19 H VAL 19 -6.673 7.504 2.657 141 HA VAL 19 HA VAL 19 -4.879 8.234 4.791 142 HB VAL 19 HB VAL 19 -3.095 8.085 3.109 143 HG11 VAL 19 1HG1 VAL 19 -3.800 6.059 4.244 144 HG12 VAL 19 2HG1 VAL 19 -3.330 5.698 2.582 145 HG13 VAL 19 3HG1 VAL 19 -5.038 5.782 3.020 146 HG21 VAL 19 3HG2 VAL 19 -3.574 7.421 0.815 147 HG22 VAL 19 1HG2 VAL 19 -4.338 8.967 1.188 148 HG23 VAL 19 2HG2 VAL 19 -5.304 7.492 1.143 149 H ALA 20 H ALA 20 -3.262 10.003 4.410 150 HA ALA 20 HA ALA 20 -4.662 12.452 4.277 151 HB1 ALA 20 3HB ALA 20 -2.493 13.498 4.650 152 HB2 ALA 20 1HB ALA 20 -1.683 11.971 4.295 153 HB3 ALA 20 2HB ALA 20 -2.714 12.112 5.719 154 H ASP 21 H ASP 21 -5.089 13.749 2.628 155 HA ASP 21 HA ASP 21 -4.494 13.235 -0.046 156 HB2 ASP 21 2HB ASP 21 -5.266 15.760 1.404 157 HB3 ASP 21 3HB ASP 21 -4.954 15.766 -0.326 158 H GLU 22 H GLU 22 -2.906 15.441 2.234 159 HA GLU 22 HA GLU 22 -0.545 15.354 0.490 160 HB2 GLU 22 2HB GLU 22 -0.140 17.630 1.929 161 HB3 GLU 22 3HB GLU 22 -0.794 17.572 0.302 162 HG2 GLU 22 2HG GLU 22 -2.147 19.022 1.611 163 HG3 GLU 22 3HG GLU 22 -3.068 17.560 1.272 164 H ILE 23 H ILE 23 1.334 14.837 1.357 165 HA ILE 23 HA ILE 23 1.391 14.247 4.240 166 HB ILE 23 HB ILE 23 1.366 12.198 2.870 167 HG12 ILE 23 2HG1 ILE 23 4.073 12.693 4.127 168 HG13 ILE 23 3HG1 ILE 23 2.620 12.229 5.002 169 HG21 ILE 23 1HG2 ILE 23 3.913 13.260 1.658 170 HG22 ILE 23 2HG2 ILE 23 2.360 13.087 0.839 171 HG23 ILE 23 3HG2 ILE 23 3.233 11.657 1.389 172 HD11 ILE 23 3HD1 ILE 23 4.060 10.323 4.670 173 HD12 ILE 23 1HD1 ILE 23 4.050 10.588 2.928 174 HD13 ILE 23 2HD1 ILE 23 2.564 10.120 3.755 175 H ALA 24 H ALA 24 3.295 14.729 5.353 176 HA ALA 24 HA ALA 24 5.017 16.670 3.997 177 HB1 ALA 24 3HB ALA 24 4.818 15.984 6.929 178 HB2 ALA 24 1HB ALA 24 4.000 17.329 6.132 179 HB3 ALA 24 2HB ALA 24 5.761 17.299 6.230 180 H GLY 25 H GLY 25 7.387 16.570 4.559 181 HA2 GLY 25 2HA GLY 25 8.438 13.948 4.081 182 HA3 GLY 25 3HA GLY 25 9.374 15.411 4.369 183 H ASP 26 H ASP 26 9.739 12.694 5.460 184 HA ASP 26 HA ASP 26 10.359 11.705 7.411 185 HB2 ASP 26 2HB ASP 26 10.118 14.531 8.464 186 HB3 ASP 26 3HB ASP 26 10.658 13.181 9.456 187 H GLU 27 H GLU 27 7.571 11.963 6.561 188 HA GLU 27 HA GLU 27 6.217 11.788 9.170 189 HB2 GLU 27 2HB GLU 27 5.469 13.667 7.749 190 HB3 GLU 27 3HB GLU 27 5.053 12.526 6.481 191 HG2 GLU 27 2HG GLU 27 3.306 11.588 7.795 192 HG3 GLU 27 3HG GLU 27 3.815 12.498 9.219 193 H THR 28 H THR 28 4.948 10.025 9.576 194 HA THR 28 HA THR 28 5.045 7.879 7.562 195 HB THR 28 HB THR 28 5.114 7.594 10.577 196 HG1 THR 28 HG1 THR 28 7.119 8.290 9.740 197 HG21 THR 28 3HG2 THR 28 5.499 5.216 10.130 198 HG22 THR 28 1HG2 THR 28 5.311 5.509 8.400 199 HG23 THR 28 2HG2 THR 28 3.942 5.737 9.488 200 H VAL 29 H VAL 29 3.135 7.313 6.819 201 HA VAL 29 HA VAL 29 0.777 7.737 8.532 202 HB VAL 29 HB VAL 29 -0.569 7.729 6.438 203 HG11 VAL 29 1HG1 VAL 29 1.606 9.814 6.560 204 HG12 VAL 29 2HG1 VAL 29 0.084 9.835 7.454 205 HG13 VAL 29 3HG1 VAL 29 0.076 9.975 5.696 206 HG21 VAL 29 3HG2 VAL 29 0.563 8.052 4.284 207 HG22 VAL 29 1HG2 VAL 29 0.944 6.483 4.992 208 HG23 VAL 29 2HG2 VAL 29 2.120 7.796 5.069 209 H GLU 30 H GLU 30 -0.614 6.036 8.872 210 HA GLU 30 HA GLU 30 0.412 3.427 8.063 211 HB2 GLU 30 2HB GLU 30 -1.107 2.499 9.752 212 HB3 GLU 30 3HB GLU 30 -0.036 3.706 10.442 213 HG2 GLU 30 2HG GLU 30 -1.804 5.325 10.488 214 HG3 GLU 30 3HG GLU 30 -2.884 4.225 9.629 215 H ILE 31 H ILE 31 -0.394 2.459 6.371 216 HA ILE 31 HA ILE 31 -3.029 3.252 5.372 217 HB ILE 31 HB ILE 31 -0.917 1.516 4.074 218 HG12 ILE 31 2HG1 ILE 31 -1.713 4.374 3.473 219 HG13 ILE 31 3HG1 ILE 31 -0.268 3.904 4.359 220 HG21 ILE 31 1HG2 ILE 31 -3.482 2.657 2.971 221 HG22 ILE 31 2HG2 ILE 31 -3.149 0.956 3.298 222 HG23 ILE 31 3HG2 ILE 31 -2.258 1.799 2.031 223 HD11 ILE 31 3HD1 ILE 31 0.560 2.736 2.379 224 HD12 ILE 31 1HD1 ILE 31 0.251 4.442 2.055 225 HD13 ILE 31 2HD1 ILE 31 -0.889 3.218 1.495 226 H ARG 32 H ARG 32 -4.548 2.169 6.488 227 HA ARG 32 HA ARG 32 -4.195 -0.671 7.015 228 HB2 ARG 32 2HB ARG 32 -6.501 1.146 7.743 229 HB3 ARG 32 3HB ARG 32 -6.285 -0.515 8.282 230 HG2 ARG 32 2HG ARG 32 -4.173 0.194 9.394 231 HG3 ARG 32 3HG ARG 32 -4.575 1.860 8.977 232 HD2 ARG 32 2HD ARG 32 -5.298 1.508 11.211 233 HD3 ARG 32 3HD ARG 32 -6.740 1.544 10.199 234 HE ARG 32 HE ARG 32 -5.642 -1.082 10.754 235 HH11 ARG 32 1HH1 ARG 32 -8.000 1.365 11.582 236 HH12 ARG 32 2HH1 ARG 32 -9.004 0.271 12.491 237 HH21 ARG 32 1HH2 ARG 32 -6.946 -2.516 11.983 238 HH22 ARG 32 2HH2 ARG 32 -8.379 -1.911 12.754 239 H LEU 33 H LEU 33 -4.583 -1.946 5.376 240 HA LEU 33 HA LEU 33 -6.774 -1.275 3.526 241 HB2 LEU 33 2HB LEU 33 -4.330 -1.424 2.710 242 HB3 LEU 33 3HB LEU 33 -4.474 -3.148 2.964 243 HG LEU 33 HG LEU 33 -4.773 -2.393 0.595 244 HD11 LEU 33 1HD1 LEU 33 -5.630 -4.548 1.323 245 HD12 LEU 33 2HD1 LEU 33 -6.695 -3.815 0.123 246 HD13 LEU 33 3HD1 LEU 33 -7.139 -3.787 1.831 247 HD21 LEU 33 3HD2 LEU 33 -7.349 -1.243 1.651 248 HD22 LEU 33 1HD2 LEU 33 -6.895 -1.382 -0.047 249 HD23 LEU 33 2HD2 LEU 33 -5.980 -0.323 1.026 250 H GLU 34 H GLU 34 -8.449 -2.658 3.408 251 HA GLU 34 HA GLU 34 -8.153 -5.243 4.782 252 HB2 GLU 34 2HB GLU 34 -10.537 -3.388 4.861 253 HB3 GLU 34 3HB GLU 34 -10.492 -5.003 5.554 254 HG2 GLU 34 2HG GLU 34 -8.651 -4.265 7.034 255 HG3 GLU 34 3HG GLU 34 -8.846 -2.632 6.397 256 H ILE 35 H ILE 35 -8.214 -6.744 3.255 257 HA ILE 35 HA ILE 35 -10.247 -6.535 1.149 258 HB ILE 35 HB ILE 35 -8.056 -8.603 1.440 259 HG12 ILE 35 2HG1 ILE 35 -8.179 -6.186 -0.379 260 HG13 ILE 35 3HG1 ILE 35 -7.178 -6.312 1.064 261 HG21 ILE 35 1HG2 ILE 35 -9.997 -9.373 0.159 262 HG22 ILE 35 2HG2 ILE 35 -8.590 -9.160 -0.881 263 HG23 ILE 35 3HG2 ILE 35 -9.876 -7.954 -0.881 264 HD11 ILE 35 3HD1 ILE 35 -6.953 -8.072 -1.365 265 HD12 ILE 35 1HD1 ILE 35 -5.916 -8.116 0.061 266 HD13 ILE 35 2HD1 ILE 35 -5.912 -6.698 -0.990 267 H LYS 36 H LYS 36 -12.104 -7.547 1.403 268 HA LYS 36 HA LYS 36 -12.260 -9.733 3.383 269 HB2 LYS 36 2HB LYS 36 -14.473 -7.804 2.654 270 HB3 LYS 36 3HB LYS 36 -14.480 -8.985 3.955 271 HG2 LYS 36 2HG LYS 36 -12.934 -7.750 5.228 272 HG3 LYS 36 3HG LYS 36 -12.505 -6.725 3.857 273 HD2 LYS 36 2HD LYS 36 -14.860 -5.867 3.877 274 HD3 LYS 36 3HD LYS 36 -15.110 -6.762 5.379 275 HE2 LYS 36 2HE LYS 36 -12.942 -4.703 5.000 276 HE3 LYS 36 3HE LYS 36 -14.536 -4.328 5.652 277 HZ1 LYS 36 3HZ LYS 36 -12.727 -6.361 6.841 278 HZ2 LYS 36 1HZ LYS 36 -14.146 -5.718 7.512 279 HZ3 LYS 36 2HZ LYS 36 -12.762 -4.742 7.342 280 HA PRO 37 HA PRO 37 -13.788 -11.500 -0.543 281 HB2 PRO 37 2HB PRO 37 -12.053 -13.524 -0.765 282 HB3 PRO 37 3HB PRO 37 -11.596 -11.870 -1.187 283 HG2 PRO 37 2HG PRO 37 -10.837 -13.497 1.163 284 HG3 PRO 37 3HG PRO 37 -9.961 -12.173 0.377 285 HD2 PRO 37 2HD PRO 37 -11.588 -12.055 2.728 286 HD3 PRO 37 3HD PRO 37 -10.765 -10.713 1.907 287 H SER 38 H SER 38 -14.881 -13.481 -0.987 288 HA SER 38 HA SER 38 -15.898 -14.844 1.347 289 HB2 SER 38 2HB SER 38 -16.440 -15.329 -1.593 290 HB3 SER 38 3HB SER 38 -17.343 -16.027 -0.250 291 HG SER 38 HG SER 38 -17.061 -13.236 -0.641 292 H GLY 39 H GLY 39 -13.577 -15.366 -1.177 293 HA2 GLY 39 2HA GLY 39 -13.240 -18.182 -0.665 294 HA3 GLY 39 3HA GLY 39 -12.208 -17.167 -1.664 295 H ASN 40 H ASN 40 -13.111 -17.527 1.753 296 HA ASN 40 HA ASN 40 -10.599 -16.527 2.681 297 HB2 ASN 40 2HB ASN 40 -11.384 -17.226 4.925 298 HB3 ASN 40 3HB ASN 40 -12.579 -16.258 4.072 299 HD21 ASN 40 1HD2 ASN 40 -14.476 -17.204 3.385 300 HD22 ASN 40 2HD2 ASN 40 -15.005 -18.745 3.961 301 H PHE 41 H PHE 41 -11.751 -19.581 1.659 302 HA PHE 41 HA PHE 41 -9.574 -21.084 2.808 303 HB2 PHE 41 2HB PHE 41 -11.417 -21.830 0.518 304 HB3 PHE 41 3HB PHE 41 -10.387 -22.928 1.429 305 HD1 PHE 41 HD1 PHE 41 -10.888 -23.287 3.879 306 HD2 PHE 41 HD2 PHE 41 -13.581 -21.331 1.230 307 HE1 PHE 41 HE1 PHE 41 -12.731 -23.698 5.453 308 HE2 PHE 41 HE2 PHE 41 -15.432 -21.741 2.799 309 HZ PHE 41 HZ PHE 41 -15.006 -22.928 4.917 310 H ILE 42 H ILE 42 -7.600 -20.373 2.144 311 HA ILE 42 HA ILE 42 -7.376 -19.277 -0.530 312 HB ILE 42 HB ILE 42 -5.084 -18.599 0.148 313 HG12 ILE 42 2HG1 ILE 42 -5.922 -19.655 2.860 314 HG13 ILE 42 3HG1 ILE 42 -4.687 -20.367 1.827 315 HG21 ILE 42 1HG2 ILE 42 -7.356 -17.746 1.935 316 HG22 ILE 42 2HG2 ILE 42 -6.941 -17.072 0.359 317 HG23 ILE 42 3HG2 ILE 42 -5.844 -16.861 1.726 318 HD11 ILE 42 3HD1 ILE 42 -3.343 -18.348 2.030 319 HD12 ILE 42 1HD1 ILE 42 -3.709 -19.037 3.613 320 HD13 ILE 42 2HD1 ILE 42 -4.588 -17.618 3.043 321 H GLY 43 H GLY 43 -6.755 -20.335 -2.185 322 HA2 GLY 43 2HA GLY 43 -4.618 -22.350 -1.903 323 HA3 GLY 43 3HA GLY 43 -6.020 -22.653 -2.931 324 H THR 44 H THR 44 -3.750 -19.998 -2.349 325 HA THR 44 HA THR 44 -3.099 -19.784 -5.155 326 HB THR 44 HB THR 44 -5.238 -18.614 -5.096 327 HG1 THR 44 HG1 THR 44 -4.510 -16.528 -5.797 328 HG21 THR 44 3HG2 THR 44 -5.556 -16.600 -3.717 329 HG22 THR 44 1HG2 THR 44 -4.013 -16.919 -2.921 330 HG23 THR 44 2HG2 THR 44 -5.351 -18.053 -2.742 331 H VAL 45 H VAL 45 -1.314 -18.348 -5.514 332 HA VAL 45 HA VAL 45 0.218 -17.767 -3.087 333 HB VAL 45 HB VAL 45 1.138 -17.631 -5.964 334 HG11 VAL 45 1HG1 VAL 45 2.698 -17.641 -3.381 335 HG12 VAL 45 2HG1 VAL 45 2.470 -16.262 -4.456 336 HG13 VAL 45 3HG1 VAL 45 3.394 -17.662 -5.002 337 HG21 VAL 45 3HG2 VAL 45 1.524 -19.844 -3.953 338 HG22 VAL 45 1HG2 VAL 45 2.232 -19.780 -5.568 339 HG23 VAL 45 2HG2 VAL 45 0.483 -19.907 -5.374 340 H TYR 46 H TYR 46 -0.983 -15.951 -2.457 341 HA TYR 46 HA TYR 46 -1.463 -13.772 -4.233 342 HB2 TYR 46 2HB TYR 46 -2.741 -14.488 -2.057 343 HB3 TYR 46 3HB TYR 46 -1.545 -13.478 -1.249 344 HD1 TYR 46 HD1 TYR 46 -3.639 -13.211 -4.338 345 HD2 TYR 46 HD2 TYR 46 -2.336 -11.375 -0.731 346 HE1 TYR 46 HE1 TYR 46 -4.995 -11.230 -4.866 347 HE2 TYR 46 HE2 TYR 46 -3.686 -9.385 -1.251 348 HH TYR 46 HH TYR 46 -6.016 -9.348 -3.780 349 H THR 47 H THR 47 0.139 -12.617 -4.997 350 HA THR 47 HA THR 47 2.607 -12.345 -3.445 351 HB THR 47 HB THR 47 2.146 -11.620 -6.343 352 HG1 THR 47 HG1 THR 47 1.834 -13.972 -5.512 353 HG21 THR 47 3HG2 THR 47 4.154 -10.663 -5.311 354 HG22 THR 47 1HG2 THR 47 4.572 -11.884 -6.512 355 HG23 THR 47 2HG2 THR 47 4.655 -12.274 -4.795 356 H LEU 48 H LEU 48 3.320 -10.437 -2.685 357 HA LEU 48 HA LEU 48 1.765 -8.024 -3.359 358 HB2 LEU 48 2HB LEU 48 1.379 -8.631 -1.070 359 HB3 LEU 48 3HB LEU 48 3.093 -8.843 -0.778 360 HG LEU 48 HG LEU 48 3.421 -6.404 -1.102 361 HD11 LEU 48 1HD1 LEU 48 1.462 -4.933 -1.081 362 HD12 LEU 48 2HD1 LEU 48 0.410 -6.343 -1.224 363 HD13 LEU 48 3HD1 LEU 48 1.523 -5.935 -2.530 364 HD21 LEU 48 3HD2 LEU 48 1.405 -7.149 1.010 365 HD22 LEU 48 1HD2 LEU 48 2.444 -5.725 1.027 366 HD23 LEU 48 2HD2 LEU 48 3.154 -7.336 1.133 367 H ARG 49 H ARG 49 2.826 -6.442 -4.322 368 HA ARG 49 HA ARG 49 5.544 -5.811 -3.508 369 HB2 ARG 49 2HB ARG 49 6.446 -5.654 -5.730 370 HB3 ARG 49 3HB ARG 49 5.770 -7.268 -5.554 371 HG2 ARG 49 2HG ARG 49 4.049 -6.859 -7.011 372 HG3 ARG 49 3HG ARG 49 4.067 -5.122 -6.715 373 HD2 ARG 49 2HD ARG 49 4.885 -5.535 -8.931 374 HD3 ARG 49 3HD ARG 49 6.225 -4.985 -7.928 375 HE ARG 49 HE ARG 49 7.266 -6.990 -8.273 376 HH11 ARG 49 1HH1 ARG 49 3.885 -7.294 -9.107 377 HH12 ARG 49 2HH1 ARG 49 4.049 -8.879 -9.806 378 HH21 ARG 49 1HH2 ARG 49 7.517 -9.049 -9.254 379 HH22 ARG 49 2HH2 ARG 49 6.129 -9.866 -9.914 380 H TYR 50 H TYR 50 6.084 -3.594 -3.977 381 HA TYR 50 HA TYR 50 3.932 -2.049 -5.221 382 HB2 TYR 50 2HB TYR 50 4.080 -0.272 -3.628 383 HB3 TYR 50 3HB TYR 50 3.832 -1.765 -2.737 384 HD1 TYR 50 HD2 TYR 50 5.762 -2.777 -1.491 385 HD2 TYR 50 HD1 TYR 50 5.987 1.076 -3.274 386 HE1 TYR 50 HE2 TYR 50 7.690 -2.235 -0.068 387 HE2 TYR 50 HE1 TYR 50 7.914 1.630 -1.853 388 HH TYR 50 HH TYR 50 9.564 -0.738 0.020 389 H PHE 51 H PHE 51 4.583 -0.232 -6.377 390 HA PHE 51 HA PHE 51 7.487 0.045 -6.769 391 HB2 PHE 51 2HB PHE 51 6.470 -1.292 -8.614 392 HB3 PHE 51 3HB PHE 51 5.398 0.059 -8.965 393 HD1 PHE 51 HD1 PHE 51 8.948 -0.977 -8.885 394 HD2 PHE 51 HD2 PHE 51 6.096 1.831 -10.335 395 HE1 PHE 51 HE1 PHE 51 10.647 -0.040 -10.398 396 HE2 PHE 51 HE2 PHE 51 7.790 2.775 -11.850 397 HZ PHE 51 HZ PHE 51 10.066 1.839 -11.886 398 H GLN 52 H GLN 52 8.196 2.147 -7.056 399 HA GLN 52 HA GLN 52 6.109 4.211 -6.827 400 HB2 GLN 52 2HB GLN 52 8.937 4.357 -5.764 401 HB3 GLN 52 3HB GLN 52 7.680 5.569 -5.561 402 HG2 GLN 52 2HG GLN 52 6.347 3.841 -4.330 403 HG3 GLN 52 3HG GLN 52 7.771 2.807 -4.379 404 HE21 GLN 52 1HE2 GLN 52 7.887 6.278 -4.006 405 HE22 GLN 52 2HE2 GLN 52 8.442 6.277 -2.372 406 HA PRO 53 HA PRO 53 7.872 5.269 -10.868 407 HB2 PRO 53 2HB PRO 53 5.596 7.159 -10.786 408 HB3 PRO 53 3HB PRO 53 6.028 5.972 -12.021 409 HG2 PRO 53 2HG PRO 53 3.935 5.581 -10.404 410 HG3 PRO 53 3HG PRO 53 4.972 4.234 -10.908 411 HD2 PRO 53 2HD PRO 53 4.929 5.724 -8.311 412 HD3 PRO 53 3HD PRO 53 5.111 3.982 -8.608 413 H ASP 54 H ASP 54 6.697 7.470 -8.360 414 HA ASP 54 HA ASP 54 9.110 9.053 -8.597 415 HB2 ASP 54 2HB ASP 54 7.698 10.186 -10.222 416 HB3 ASP 54 3HB ASP 54 6.381 10.278 -9.056 417 H GLY 55 H GLY 55 9.786 9.584 -6.653 418 HA2 GLY 55 2HA GLY 55 9.176 10.682 -4.498 419 HA3 GLY 55 3HA GLY 55 7.838 9.538 -4.425 420 H LYS 56 H LYS 56 9.713 9.709 -2.345 421 HA LYS 56 HA LYS 56 10.904 7.044 -2.586 422 HB2 LYS 56 2HB LYS 56 12.706 8.676 -3.004 423 HB3 LYS 56 3HB LYS 56 12.366 9.430 -1.453 424 HG2 LYS 56 2HG LYS 56 14.258 8.039 -1.164 425 HG3 LYS 56 3HG LYS 56 12.902 7.243 -0.365 426 HD2 LYS 56 2HD LYS 56 14.063 5.553 -1.555 427 HD3 LYS 56 3HD LYS 56 12.601 5.899 -2.484 428 HE2 LYS 56 2HE LYS 56 14.519 5.696 -3.968 429 HE3 LYS 56 3HE LYS 56 13.909 7.351 -3.977 430 HZ1 LYS 56 3HZ LYS 56 16.361 7.193 -3.850 431 HZ2 LYS 56 1HZ LYS 56 16.213 6.426 -2.344 432 HZ3 LYS 56 2HZ LYS 56 15.683 8.027 -2.535 433 H GLY 57 H GLY 57 10.588 5.794 -0.901 434 HA2 GLY 57 2HA GLY 57 10.493 6.739 1.787 435 HA3 GLY 57 3HA GLY 57 8.893 6.306 1.189 436 H SER 58 H SER 58 9.139 4.696 2.988 437 HA SER 58 HA SER 58 9.865 2.203 1.693 438 HB2 SER 58 2HB SER 58 11.024 3.026 4.361 439 HB3 SER 58 3HB SER 58 11.009 1.362 3.777 440 HG SER 58 HG SER 58 11.979 3.141 1.934 441 H LEU 59 H LEU 59 8.437 0.678 2.045 442 HA LEU 59 HA LEU 59 6.262 1.248 3.919 443 HB2 LEU 59 2HB LEU 59 5.842 0.837 1.467 444 HB3 LEU 59 3HB LEU 59 6.382 -0.811 1.718 445 HG LEU 59 HG LEU 59 4.516 -1.155 3.306 446 HD11 LEU 59 1HD1 LEU 59 4.192 1.114 4.061 447 HD12 LEU 59 2HD1 LEU 59 2.701 0.506 3.345 448 HD13 LEU 59 3HD1 LEU 59 3.723 1.618 2.437 449 HD21 LEU 59 3HD2 LEU 59 4.273 -1.810 0.988 450 HD22 LEU 59 1HD2 LEU 59 3.756 -0.181 0.558 451 HD23 LEU 59 2HD2 LEU 59 2.745 -1.179 1.599 452 H LYS 60 H LYS 60 6.107 0.130 5.768 453 HA LYS 60 HA LYS 60 7.428 -2.500 5.915 454 HB2 LYS 60 2HB LYS 60 7.288 -0.427 8.108 455 HB3 LYS 60 3HB LYS 60 7.926 -2.051 8.292 456 HG2 LYS 60 2HG LYS 60 9.878 -0.968 7.964 457 HG3 LYS 60 3HG LYS 60 9.460 -1.245 6.273 458 HD2 LYS 60 2HD LYS 60 10.164 1.048 6.564 459 HD3 LYS 60 3HD LYS 60 8.438 1.005 6.194 460 HE2 LYS 60 2HE LYS 60 7.901 1.297 8.541 461 HE3 LYS 60 3HE LYS 60 9.615 1.247 8.960 462 HZ1 LYS 60 3HZ LYS 60 9.935 3.255 7.623 463 HZ2 LYS 60 1HZ LYS 60 8.842 3.510 8.897 464 HZ3 LYS 60 2HZ LYS 60 8.272 3.320 7.315 465 H MET 61 H MET 61 6.555 -3.848 7.734 466 HA MET 61 HA MET 61 3.638 -3.471 7.939 467 HB2 MET 61 2HB MET 61 5.235 -6.023 8.234 468 HB3 MET 61 3HB MET 61 3.483 -5.884 8.231 469 HG2 MET 61 2HG MET 61 3.596 -5.068 5.899 470 HG3 MET 61 3HG MET 61 5.338 -5.344 5.924 471 HE1 MET 61 3HE MET 61 5.574 -7.972 7.650 472 HE2 MET 61 1HE MET 61 6.458 -7.768 6.136 473 HE3 MET 61 2HE MET 61 5.520 -9.234 6.420 474 H GLU 62 H GLU 62 3.087 -5.201 9.998 475 HA GLU 62 HA GLU 62 3.825 -3.623 12.277 476 HB2 GLU 62 2HB GLU 62 2.262 -6.206 12.081 477 HB3 GLU 62 3HB GLU 62 2.417 -5.231 13.538 478 HG2 GLU 62 2HG GLU 62 1.213 -4.217 10.972 479 HG3 GLU 62 3HG GLU 62 0.276 -4.943 12.274 480 H ASP 63 H ASP 63 5.112 -6.374 10.737 481 HA ASP 63 HA ASP 63 6.739 -7.065 13.090 482 HB2 ASP 63 2HB ASP 63 6.272 -8.512 10.476 483 HB3 ASP 63 3HB ASP 63 7.490 -9.007 11.647 484 H GLY 64 H GLY 64 6.986 -4.680 11.264 485 HA2 GLY 64 2HA GLY 64 8.729 -3.464 10.372 486 HA3 GLY 64 3HA GLY 64 9.817 -4.773 10.831 487 H THR 65 H THR 65 10.771 -5.730 9.180 488 HA THR 65 HA THR 65 11.176 -6.642 7.148 489 HB THR 65 HB THR 65 8.175 -6.920 6.889 490 HG1 THR 65 HG1 THR 65 9.522 -7.807 8.859 491 HG21 THR 65 3HG2 THR 65 9.444 -7.426 4.850 492 HG22 THR 65 1HG2 THR 65 8.742 -8.889 5.543 493 HG23 THR 65 2HG2 THR 65 10.459 -8.548 5.756 494 H VAL 66 H VAL 66 12.012 -4.858 6.134 495 HA VAL 66 HA VAL 66 10.426 -2.806 4.986 496 HB VAL 66 HB VAL 66 13.284 -3.564 4.343 497 HG11 VAL 66 1HG1 VAL 66 13.491 -1.256 3.548 498 HG12 VAL 66 2HG1 VAL 66 11.774 -0.996 3.856 499 HG13 VAL 66 3HG1 VAL 66 12.283 -2.150 2.624 500 HG21 VAL 66 3HG2 VAL 66 12.183 -1.563 6.316 501 HG22 VAL 66 1HG2 VAL 66 13.889 -1.796 5.930 502 HG23 VAL 66 2HG2 VAL 66 12.978 -3.085 6.714 503 H LEU 67 H LEU 67 9.038 -3.219 3.417 504 HA LEU 67 HA LEU 67 9.430 -5.261 1.450 505 HB2 LEU 67 2HB LEU 67 7.493 -2.944 1.339 506 HB3 LEU 67 3HB LEU 67 7.379 -4.460 0.469 507 HG LEU 67 HG LEU 67 7.075 -4.118 3.461 508 HD11 LEU 67 1HD1 LEU 67 4.751 -4.709 3.067 509 HD12 LEU 67 2HD1 LEU 67 5.049 -4.775 1.330 510 HD13 LEU 67 3HD1 LEU 67 5.188 -3.241 2.192 511 HD21 LEU 67 3HD2 LEU 67 8.066 -6.263 2.952 512 HD22 LEU 67 1HD2 LEU 67 6.840 -6.569 1.719 513 HD23 LEU 67 2HD2 LEU 67 6.379 -6.478 3.419 514 H LYS 68 H LYS 68 10.076 -4.987 -0.717 515 HA LYS 68 HA LYS 68 11.422 -2.421 -1.207 516 HB2 LYS 68 2HB LYS 68 12.211 -5.106 -2.350 517 HB3 LYS 68 3HB LYS 68 13.112 -3.600 -2.462 518 HG2 LYS 68 2HG LYS 68 13.196 -3.692 0.102 519 HG3 LYS 68 3HG LYS 68 12.712 -5.377 -0.085 520 HD2 LYS 68 2HD LYS 68 15.176 -4.065 -1.224 521 HD3 LYS 68 3HD LYS 68 15.116 -5.224 0.101 522 HE2 LYS 68 2HE LYS 68 14.285 -5.790 -2.744 523 HE3 LYS 68 3HE LYS 68 15.838 -6.225 -2.035 524 HZ1 LYS 68 3HZ LYS 68 13.158 -7.293 -1.346 525 HZ2 LYS 68 1HZ LYS 68 14.512 -7.519 -0.346 526 HZ3 LYS 68 2HZ LYS 68 14.512 -8.132 -1.924 527 HA PRO 69 HA PRO 69 8.966 -1.672 -4.780 528 HB2 PRO 69 2HB PRO 69 10.953 -0.776 -6.506 529 HB3 PRO 69 3HB PRO 69 10.095 0.222 -5.328 530 HG2 PRO 69 2HG PRO 69 12.778 -1.063 -5.132 531 HG3 PRO 69 3HG PRO 69 12.243 0.518 -4.535 532 HD2 PRO 69 2HD PRO 69 12.559 -1.574 -2.887 533 HD3 PRO 69 3HD PRO 69 11.255 -0.394 -2.645 534 H ASN 70 H ASN 70 8.163 -3.103 -6.119 535 HA ASN 70 HA ASN 70 7.918 -4.620 -7.789 536 HB2 ASN 70 2HB ASN 70 9.634 -3.322 -9.004 537 HB3 ASN 70 3HB ASN 70 10.889 -4.305 -8.260 538 HD21 ASN 70 1HD2 ASN 70 11.656 -5.086 -10.190 539 HD22 ASN 70 2HD2 ASN 70 10.777 -6.201 -11.171 540 H ASP 71 H ASP 71 9.914 -5.092 -5.144 541 HA ASP 71 HA ASP 71 10.728 -7.783 -5.600 542 HB2 ASP 71 2HB ASP 71 11.903 -6.283 -4.042 543 HB3 ASP 71 3HB ASP 71 10.473 -6.231 -3.017 544 H ARG 72 H ARG 72 9.836 -9.678 -4.859 545 HA ARG 72 HA ARG 72 6.943 -9.500 -4.504 546 HB2 ARG 72 2HB ARG 72 8.763 -11.703 -5.448 547 HB3 ARG 72 3HB ARG 72 7.058 -11.967 -5.107 548 HG2 ARG 72 2HG ARG 72 6.395 -10.496 -6.832 549 HG3 ARG 72 3HG ARG 72 8.042 -9.894 -7.042 550 HD2 ARG 72 2HD ARG 72 7.326 -12.780 -7.467 551 HD3 ARG 72 3HD ARG 72 7.179 -11.581 -8.752 552 HE ARG 72 HE ARG 72 9.750 -11.385 -7.659 553 HH11 ARG 72 1HH1 ARG 72 7.837 -13.710 -9.450 554 HH12 ARG 72 2HH1 ARG 72 9.197 -14.359 -10.310 555 HH21 ARG 72 1HH2 ARG 72 11.531 -12.193 -8.802 556 HH22 ARG 72 2HH2 ARG 72 11.311 -13.484 -9.956 557 H TYR 73 H TYR 73 6.309 -9.478 -2.479 558 HA TYR 73 HA TYR 73 7.436 -11.468 -0.624 559 HB2 TYR 73 2HB TYR 73 5.948 -8.888 -0.170 560 HB3 TYR 73 3HB TYR 73 6.064 -10.110 1.088 561 HD1 TYR 73 HD1 TYR 73 8.232 -10.633 2.114 562 HD2 TYR 73 HD2 TYR 73 7.837 -7.522 -0.760 563 HE1 TYR 73 HE1 TYR 73 10.392 -9.706 2.831 564 HE2 TYR 73 HE2 TYR 73 10.000 -6.596 -0.053 565 HH TYR 73 HH TYR 73 11.420 -6.630 2.053 566 H LEU 74 H LEU 74 5.929 -12.684 0.676 567 HA LEU 74 HA LEU 74 3.424 -13.234 -0.743 568 HB2 LEU 74 2HB LEU 74 4.917 -15.127 -0.182 569 HB3 LEU 74 3HB LEU 74 4.756 -14.737 1.520 570 HG LEU 74 HG LEU 74 2.324 -15.221 1.362 571 HD11 LEU 74 1HD1 LEU 74 2.006 -14.782 -1.011 572 HD12 LEU 74 2HD1 LEU 74 1.481 -16.414 -0.596 573 HD13 LEU 74 3HD1 LEU 74 3.022 -16.167 -1.413 574 HD21 LEU 74 3HD2 LEU 74 2.567 -17.652 1.237 575 HD22 LEU 74 1HD2 LEU 74 3.881 -16.914 2.156 576 HD23 LEU 74 2HD2 LEU 74 4.156 -17.453 0.498 577 H LEU 75 H LEU 75 1.506 -12.559 0.036 578 HA LEU 75 HA LEU 75 1.491 -10.955 2.434 579 HB2 LEU 75 2HB LEU 75 0.213 -10.414 0.325 580 HB3 LEU 75 3HB LEU 75 -0.865 -11.739 0.720 581 HG LEU 75 HG LEU 75 -1.449 -10.590 2.844 582 HD11 LEU 75 1HD1 LEU 75 0.581 -9.282 3.131 583 HD12 LEU 75 2HD1 LEU 75 -0.836 -8.233 3.110 584 HD13 LEU 75 3HD1 LEU 75 0.200 -8.344 1.688 585 HD21 LEU 75 3HD2 LEU 75 -2.843 -8.873 1.821 586 HD22 LEU 75 1HD2 LEU 75 -2.846 -10.347 0.856 587 HD23 LEU 75 2HD2 LEU 75 -1.884 -8.961 0.344 588 H ASN 76 H ASN 76 0.489 -11.424 4.370 589 HA ASN 76 HA ASN 76 0.120 -14.267 4.869 590 HB2 ASN 76 2HB ASN 76 1.537 -12.881 6.374 591 HB3 ASN 76 3HB ASN 76 0.110 -11.953 6.824 592 HD21 ASN 76 1HD2 ASN 76 0.195 -15.418 6.264 593 HD22 ASN 76 2HD2 ASN 76 -0.141 -15.883 7.896 594 H GLU 77 H GLU 77 -1.636 -11.285 5.728 595 HA GLU 77 HA GLU 77 -4.132 -12.844 5.609 596 HB2 GLU 77 2HB GLU 77 -3.458 -10.548 7.452 597 HB3 GLU 77 3HB GLU 77 -5.037 -11.310 7.332 598 HG2 GLU 77 2HG GLU 77 -3.915 -13.468 7.978 599 HG3 GLU 77 3HG GLU 77 -2.482 -12.508 8.349 600 H TRP 78 H TRP 78 -6.066 -11.529 5.169 601 HA TRP 78 HA TRP 78 -5.522 -9.827 2.883 602 HB2 TRP 78 2HB TRP 78 -8.125 -10.896 3.998 603 HB3 TRP 78 3HB TRP 78 -7.954 -10.021 2.481 604 HD1 TRP 78 HD1 TRP 78 -7.009 -13.397 4.089 605 HE1 TRP 78 HE1 TRP 78 -6.594 -15.100 2.205 606 HE3 TRP 78 HE3 TRP 78 -7.394 -10.271 0.059 607 HZ2 TRP 78 HZ2 TRP 78 -6.457 -15.122 -0.612 608 HZ3 TRP 78 HZ3 TRP 78 -7.111 -11.215 -2.195 609 HH2 TRP 78 HH2 TRP 78 -6.652 -13.589 -2.522 610 H LYS 79 H LYS 79 -6.679 -9.594 6.139 611 HA LYS 79 HA LYS 79 -7.134 -6.702 5.833 612 HB2 LYS 79 2HB LYS 79 -8.838 -7.999 7.074 613 HB3 LYS 79 3HB LYS 79 -7.600 -8.584 8.173 614 HG2 LYS 79 2HG LYS 79 -7.226 -6.130 8.782 615 HG3 LYS 79 3HG LYS 79 -8.756 -5.824 7.952 616 HD2 LYS 79 2HD LYS 79 -9.852 -7.483 9.419 617 HD3 LYS 79 3HD LYS 79 -8.327 -7.710 10.276 618 HE2 LYS 79 2HE LYS 79 -9.433 -6.214 11.643 619 HE3 LYS 79 3HE LYS 79 -8.457 -5.139 10.645 620 HZ1 LYS 79 3HZ LYS 79 -10.457 -4.879 9.196 621 HZ2 LYS 79 1HZ LYS 79 -10.643 -4.248 10.759 622 HZ3 LYS 79 2HZ LYS 79 -11.351 -5.735 10.350 623 H PHE 80 H PHE 80 -5.469 -5.324 6.406 624 HA PHE 80 HA PHE 80 -3.508 -6.150 8.352 625 HB2 PHE 80 2HB PHE 80 -1.578 -6.018 6.767 626 HB3 PHE 80 3HB PHE 80 -2.626 -7.407 6.522 627 HD1 PHE 80 HD2 PHE 80 -1.468 -4.229 5.130 628 HD2 PHE 80 HD1 PHE 80 -3.977 -7.612 4.543 629 HE1 PHE 80 HE2 PHE 80 -1.700 -3.640 2.755 630 HE2 PHE 80 HE1 PHE 80 -4.214 -7.028 2.165 631 HZ PHE 80 HZ PHE 80 -3.074 -5.039 1.270 632 H ARG 81 H ARG 81 -1.533 -4.606 8.221 633 HA ARG 81 HA ARG 81 -2.441 -1.848 7.787 634 HB2 ARG 81 2HB ARG 81 -2.790 -2.525 10.157 635 HB3 ARG 81 3HB ARG 81 -1.082 -2.915 10.272 636 HG2 ARG 81 2HG ARG 81 -0.601 -0.507 9.741 637 HG3 ARG 81 3HG ARG 81 -2.332 -0.204 9.926 638 HD2 ARG 81 2HD ARG 81 -2.162 -1.279 12.194 639 HD3 ARG 81 3HD ARG 81 -0.413 -1.253 11.989 640 HE ARG 81 HE ARG 81 -1.934 1.257 11.819 641 HH11 ARG 81 1HH1 ARG 81 0.467 -0.763 13.397 642 HH12 ARG 81 2HH1 ARG 81 0.984 0.495 14.480 643 HH21 ARG 81 1HH2 ARG 81 -1.256 2.901 13.248 644 HH22 ARG 81 2HH2 ARG 81 0.028 2.584 14.380 645 H LEU 82 H LEU 82 -0.862 -0.560 6.921 646 HA LEU 82 HA LEU 82 1.867 -1.664 6.828 647 HB2 LEU 82 2HB LEU 82 0.403 -0.192 4.635 648 HB3 LEU 82 3HB LEU 82 2.074 -0.724 4.563 649 HG LEU 82 HG LEU 82 -0.278 -2.593 4.844 650 HD11 LEU 82 1HD1 LEU 82 -0.363 -1.425 2.708 651 HD12 LEU 82 2HD1 LEU 82 0.074 -3.119 2.489 652 HD13 LEU 82 3HD1 LEU 82 1.312 -1.870 2.391 653 HD21 LEU 82 3HD2 LEU 82 1.790 -3.503 5.729 654 HD22 LEU 82 1HD2 LEU 82 2.639 -3.079 4.241 655 HD23 LEU 82 2HD2 LEU 82 1.373 -4.306 4.215 656 H TYR 83 H TYR 83 3.527 -0.281 7.181 657 HA TYR 83 HA TYR 83 2.846 2.474 7.935 658 HB2 TYR 83 2HB TYR 83 4.983 0.563 8.718 659 HB3 TYR 83 3HB TYR 83 5.419 2.266 8.673 660 HD1 TYR 83 HD1 TYR 83 2.942 3.540 9.628 661 HD2 TYR 83 HD2 TYR 83 4.915 0.025 10.982 662 HE1 TYR 83 HE1 TYR 83 2.004 3.886 11.874 663 HE2 TYR 83 HE2 TYR 83 3.979 0.359 13.230 664 HH TYR 83 HH TYR 83 3.140 2.357 14.592 665 H TYR 84 H TYR 84 3.049 3.895 6.308 666 HA TYR 84 HA TYR 84 5.327 3.559 4.473 667 HB2 TYR 84 2HB TYR 84 3.174 3.631 3.324 668 HB3 TYR 84 3HB TYR 84 2.778 5.155 4.112 669 HD1 TYR 84 HD1 TYR 84 5.377 3.643 1.898 670 HD2 TYR 84 HD2 TYR 84 3.220 7.145 2.989 671 HE1 TYR 84 HE1 TYR 84 6.440 4.867 0.050 672 HE2 TYR 84 HE2 TYR 84 4.268 8.374 1.137 673 HH TYR 84 HH TYR 84 6.289 8.249 -0.242 674 H THR 85 H THR 85 7.017 4.779 4.883 675 HA THR 85 HA THR 85 6.625 7.363 6.244 676 HB THR 85 HB THR 85 9.137 5.679 6.095 677 HG1 THR 85 HG1 THR 85 7.465 6.105 8.365 678 HG21 THR 85 3HG2 THR 85 8.492 8.109 7.778 679 HG22 THR 85 1HG2 THR 85 9.568 8.084 6.381 680 HG23 THR 85 2HG2 THR 85 9.987 7.174 7.834 681 H SER 86 H SER 86 7.186 9.192 5.228 682 HA SER 86 HA SER 86 8.179 9.061 2.519 683 HB2 SER 86 2HB SER 86 7.924 11.573 2.651 684 HB3 SER 86 3HB SER 86 6.443 10.661 2.948 685 HG SER 86 HG SER 86 6.688 12.274 4.508 686 H GLN 87 H GLN 87 10.221 9.322 1.900 687 HA GLN 87 HA GLN 87 12.147 10.280 3.916 688 HB2 GLN 87 2HB GLN 87 12.541 8.259 1.702 689 HB3 GLN 87 3HB GLN 87 13.832 8.881 2.725 690 HG2 GLN 87 2HG GLN 87 12.824 7.933 4.681 691 HG3 GLN 87 3HG GLN 87 11.403 7.444 3.762 692 HE21 GLN 87 1HE2 GLN 87 14.679 7.159 2.564 693 HE22 GLN 87 2HE2 GLN 87 14.738 5.430 2.606 694 H SER 88 H SER 88 10.960 10.606 0.687 695 HA SER 88 HA SER 88 12.331 13.142 0.499 696 HB2 SER 88 2HB SER 88 12.657 11.133 -1.742 697 HB3 SER 88 3HB SER 88 13.312 12.765 -1.680 698 HG SER 88 HG SER 88 14.113 11.505 0.512 699 H ASP 89 H ASP 89 10.513 14.282 0.422 700 HA ASP 89 HA ASP 89 8.362 13.482 -1.381 701 HB2 ASP 89 2HB ASP 89 7.540 14.122 0.742 702 HB3 ASP 89 3HB ASP 89 8.572 15.549 0.804 703 H LYS 90 H LYS 90 7.958 14.430 -3.248 704 HA LYS 90 HA LYS 90 9.547 16.801 -3.979 705 HB2 LYS 90 2HB LYS 90 8.267 14.827 -5.875 706 HB3 LYS 90 3HB LYS 90 9.467 16.052 -6.255 707 HG2 LYS 90 2HG LYS 90 11.138 14.840 -4.967 708 HG3 LYS 90 3HG LYS 90 9.936 13.614 -4.554 709 HD2 LYS 90 2HD LYS 90 9.638 13.231 -7.021 710 HD3 LYS 90 3HD LYS 90 11.033 14.276 -7.278 711 HE2 LYS 90 2HE LYS 90 12.386 12.763 -5.870 712 HE3 LYS 90 3HE LYS 90 10.990 11.694 -5.722 713 HZ1 LYS 90 3HZ LYS 90 11.002 11.488 -8.170 714 HZ2 LYS 90 1HZ LYS 90 12.416 10.883 -7.449 715 HZ3 LYS 90 2HZ LYS 90 12.434 12.392 -8.220 716 H GLU 91 H GLU 91 7.110 16.871 -2.509 717 HA GLU 91 HA GLU 91 5.018 17.712 -2.421 718 HB2 GLU 91 2HB GLU 91 5.700 18.950 -5.097 719 HB3 GLU 91 3HB GLU 91 4.316 19.376 -4.100 720 HG2 GLU 91 2HG GLU 91 5.979 19.989 -2.294 721 HG3 GLU 91 3HG GLU 91 7.228 19.837 -3.529 722 H ALA 92 H ALA 92 5.700 15.180 -3.702 723 HA ALA 92 HA ALA 92 3.173 14.284 -4.500 724 HB1 ALA 92 3HB ALA 92 5.100 14.650 -6.797 725 HB2 ALA 92 1HB ALA 92 3.605 15.557 -6.552 726 HB3 ALA 92 2HB ALA 92 3.545 13.823 -6.869 727 H GLN 93 H GLN 93 3.180 12.217 -3.947 728 HA GLN 93 HA GLN 93 5.538 10.568 -4.545 729 HB2 GLN 93 2HB GLN 93 4.052 10.690 -1.918 730 HB3 GLN 93 3HB GLN 93 5.093 9.347 -2.364 731 HG2 GLN 93 2HG GLN 93 6.993 10.879 -2.523 732 HG3 GLN 93 3HG GLN 93 5.945 12.219 -2.063 733 HE21 GLN 93 1HE2 GLN 93 4.450 10.598 -0.154 734 HE22 GLN 93 2HE2 GLN 93 5.480 10.417 1.218 735 H THR 94 H THR 94 4.868 9.051 -5.908 736 HA THR 94 HA THR 94 2.099 8.069 -5.677 737 HB THR 94 HB THR 94 3.954 7.796 -8.050 738 HG1 THR 94 HG1 THR 94 3.392 10.016 -7.581 739 HG21 THR 94 3HG2 THR 94 0.970 7.422 -7.768 740 HG22 THR 94 1HG2 THR 94 2.162 6.139 -7.970 741 HG23 THR 94 2HG2 THR 94 1.883 7.296 -9.271 742 H ILE 95 H ILE 95 1.870 6.129 -4.765 743 HA ILE 95 HA ILE 95 4.008 4.153 -5.207 744 HB ILE 95 HB ILE 95 3.355 3.052 -3.100 745 HG12 ILE 95 2HG1 ILE 95 1.707 5.533 -2.565 746 HG13 ILE 95 3HG1 ILE 95 1.032 3.967 -3.009 747 HG21 ILE 95 1HG2 ILE 95 4.171 5.940 -2.794 748 HG22 ILE 95 2HG2 ILE 95 5.242 4.583 -3.138 749 HG23 ILE 95 3HG2 ILE 95 4.403 4.670 -1.591 750 HD11 ILE 95 3HD1 ILE 95 2.657 4.548 -0.545 751 HD12 ILE 95 1HD1 ILE 95 1.967 2.986 -0.985 752 HD13 ILE 95 2HD1 ILE 95 0.905 4.346 -0.611 753 H ASP 96 H ASP 96 3.466 2.373 -6.225 754 HA ASP 96 HA ASP 96 0.619 1.862 -6.739 755 HB2 ASP 96 2HB ASP 96 3.114 1.471 -8.322 756 HB3 ASP 96 3HB ASP 96 1.799 0.330 -8.573 757 H LEU 97 H LEU 97 -0.141 0.412 -5.346 758 HA LEU 97 HA LEU 97 1.493 -1.803 -4.427 759 HB2 LEU 97 2HB LEU 97 -1.408 -1.145 -3.895 760 HB3 LEU 97 3HB LEU 97 -0.494 -2.417 -3.109 761 HG LEU 97 HG LEU 97 0.099 0.535 -2.879 762 HD11 LEU 97 1HD1 LEU 97 -1.996 -0.033 -1.782 763 HD12 LEU 97 2HD1 LEU 97 -0.742 0.295 -0.584 764 HD13 LEU 97 3HD1 LEU 97 -1.211 -1.368 -0.937 765 HD21 LEU 97 3HD2 LEU 97 1.263 -1.865 -1.468 766 HD22 LEU 97 1HD2 LEU 97 1.603 -0.180 -1.065 767 HD23 LEU 97 2HD2 LEU 97 2.091 -0.829 -2.630 768 H TYR 98 H TYR 98 1.683 -3.587 -5.621 769 HA TYR 98 HA TYR 98 -0.499 -4.272 -7.473 770 HB2 TYR 98 2HB TYR 98 2.415 -5.073 -7.569 771 HB3 TYR 98 3HB TYR 98 1.185 -5.577 -8.721 772 HD1 TYR 98 HD1 TYR 98 -0.118 -3.574 -9.870 773 HD2 TYR 98 HD2 TYR 98 3.739 -3.271 -8.104 774 HE1 TYR 98 HE1 TYR 98 0.347 -1.593 -11.247 775 HE2 TYR 98 HE2 TYR 98 4.214 -1.280 -9.466 776 HH TYR 98 HH TYR 98 1.896 0.470 -11.040 777 H PHE 99 H PHE 99 -1.781 -5.778 -6.703 778 HA PHE 99 HA PHE 99 -0.662 -7.944 -5.060 779 HB2 PHE 99 2HB PHE 99 -3.533 -7.083 -5.492 780 HB3 PHE 99 3HB PHE 99 -3.024 -8.420 -4.471 781 HD1 PHE 99 HD1 PHE 99 -3.139 -4.774 -4.823 782 HD2 PHE 99 HD2 PHE 99 -2.054 -8.032 -2.310 783 HE1 PHE 99 HE1 PHE 99 -2.943 -3.235 -2.916 784 HE2 PHE 99 HE2 PHE 99 -1.855 -6.496 -0.402 785 HZ PHE 99 HZ PHE 99 -2.300 -4.092 -0.701 786 H GLU 100 H GLU 100 -0.248 -9.794 -6.061 787 HA GLU 100 HA GLU 100 -1.698 -10.401 -8.549 788 HB2 GLU 100 2HB GLU 100 0.990 -11.254 -7.518 789 HB3 GLU 100 3HB GLU 100 0.177 -12.160 -8.783 790 HG2 GLU 100 2HG GLU 100 0.068 -10.042 -10.109 791 HG3 GLU 100 3HG GLU 100 1.101 -9.306 -8.881 792 H ASP 101 H ASP 101 -3.113 -11.989 -8.592 793 HA ASP 101 HA ASP 101 -2.992 -14.049 -6.491 794 HB2 ASP 101 2HB ASP 101 -4.998 -12.952 -6.055 795 HB3 ASP 101 3HB ASP 101 -5.303 -12.625 -7.760 796 H ASN 102 H ASN 102 -3.183 -16.180 -7.092 797 HA ASN 102 HA ASN 102 -2.373 -16.726 -9.796 798 HB2 ASN 102 2HB ASN 102 -2.709 -18.426 -7.342 799 HB3 ASN 102 3HB ASN 102 -2.412 -19.152 -8.918 800 HD21 ASN 102 1HD2 ASN 102 -0.437 -19.976 -8.272 801 HD22 ASN 102 2HD2 ASN 102 0.953 -18.964 -8.047 802 H TRP 103 H TRP 103 -5.402 -16.691 -8.177 803 HA TRP 103 HA TRP 103 -6.685 -18.656 -9.809 804 HB2 TRP 103 2HB TRP 103 -7.791 -16.386 -8.157 805 HB3 TRP 103 3HB TRP 103 -8.812 -17.493 -9.064 806 HD1 TRP 103 HD1 TRP 103 -7.372 -17.043 -5.727 807 HE1 TRP 103 HE1 TRP 103 -7.578 -19.203 -4.335 808 HE3 TRP 103 HE3 TRP 103 -8.536 -20.313 -9.476 809 HZ2 TRP 103 HZ2 TRP 103 -8.150 -21.933 -4.780 810 HZ3 TRP 103 HZ3 TRP 103 -8.900 -22.678 -8.913 811 HH2 TRP 103 HH2 TRP 103 -8.709 -23.471 -6.614 812 H GLY 104 H GLY 104 -5.731 -15.396 -10.263 813 HA2 GLY 104 2HA GLY 104 -5.482 -14.878 -12.683 814 HA3 GLY 104 3HA GLY 104 -7.149 -15.397 -12.853 815 H ASN 105 H ASN 105 -6.153 -13.532 -10.091 816 HA ASN 105 HA ASN 105 -7.636 -11.242 -11.200 817 HB2 ASN 105 2HB ASN 105 -8.676 -12.345 -9.222 818 HB3 ASN 105 3HB ASN 105 -7.235 -11.962 -8.288 819 HD21 ASN 105 1HD2 ASN 105 -8.409 -10.726 -6.832 820 HD22 ASN 105 2HD2 ASN 105 -9.037 -9.167 -7.237 821 H LEU 106 H LEU 106 -6.771 -9.217 -11.090 822 HA LEU 106 HA LEU 106 -4.100 -8.946 -9.885 823 HB2 LEU 106 2HB LEU 106 -3.826 -9.112 -12.298 824 HB3 LEU 106 3HB LEU 106 -5.026 -7.860 -12.548 825 HG LEU 106 HG LEU 106 -3.516 -6.234 -11.424 826 HD11 LEU 106 1HD1 LEU 106 -1.521 -8.495 -11.513 827 HD12 LEU 106 2HD1 LEU 106 -2.254 -7.823 -10.056 828 HD13 LEU 106 3HD1 LEU 106 -1.188 -6.826 -11.047 829 HD21 LEU 106 3HD2 LEU 106 -2.340 -7.688 -13.790 830 HD22 LEU 106 1HD2 LEU 106 -1.928 -6.051 -13.277 831 HD23 LEU 106 2HD2 LEU 106 -3.557 -6.412 -13.849 832 H GLN 107 H GLN 107 -4.030 -7.360 -8.424 833 HA GLN 107 HA GLN 107 -6.099 -5.259 -8.586 834 HB2 GLN 107 2HB GLN 107 -4.864 -6.427 -6.084 835 HB3 GLN 107 3HB GLN 107 -6.110 -5.187 -6.147 836 HG2 GLN 107 2HG GLN 107 -7.675 -6.756 -7.103 837 HG3 GLN 107 3HG GLN 107 -6.427 -8.001 -7.165 838 HE21 GLN 107 1HE2 GLN 107 -6.788 -5.756 -4.522 839 HE22 GLN 107 2HE2 GLN 107 -7.304 -6.914 -3.354 840 H GLN 108 H GLN 108 -5.161 -3.431 -9.173 841 HA GLN 108 HA GLN 108 -2.531 -2.805 -8.027 842 HB2 GLN 108 2HB GLN 108 -2.542 -1.111 -10.068 843 HB3 GLN 108 3HB GLN 108 -2.009 -2.773 -10.245 844 HG2 GLN 108 2HG GLN 108 -3.362 -2.554 -12.065 845 HG3 GLN 108 3HG GLN 108 -4.496 -3.208 -10.889 846 HE21 GLN 108 1HE2 GLN 108 -6.284 -2.384 -11.885 847 HE22 GLN 108 2HE2 GLN 108 -6.647 -0.688 -11.926 848 H LEU 109 H LEU 109 -2.698 -1.495 -6.399 849 HA LEU 109 HA LEU 109 -4.752 0.615 -6.465 850 HB2 LEU 109 2HB LEU 109 -3.358 -0.643 -4.099 851 HB3 LEU 109 3HB LEU 109 -4.519 0.665 -4.001 852 HG LEU 109 HG LEU 109 -5.117 -2.118 -5.008 853 HD11 LEU 109 1HD1 LEU 109 -6.406 -2.339 -2.936 854 HD12 LEU 109 2HD1 LEU 109 -5.822 -0.760 -2.410 855 HD13 LEU 109 3HD1 LEU 109 -4.688 -2.096 -2.616 856 HD21 LEU 109 3HD2 LEU 109 -6.522 -0.468 -6.080 857 HD22 LEU 109 1HD2 LEU 109 -6.904 0.260 -4.521 858 HD23 LEU 109 2HD2 LEU 109 -7.463 -1.371 -4.892 859 H THR 110 H THR 110 -3.865 2.460 -7.139 860 HA THR 110 HA THR 110 -1.114 3.048 -6.341 861 HB THR 110 HB THR 110 -1.549 3.153 -8.750 862 HG1 THR 110 HG1 THR 110 0.021 4.553 -8.290 863 HG21 THR 110 3HG2 THR 110 -3.900 3.760 -8.747 864 HG22 THR 110 1HG2 THR 110 -2.972 4.922 -9.696 865 HG23 THR 110 2HG2 THR 110 -3.512 5.343 -8.070 866 H TYR 111 H TYR 111 -0.692 4.546 -4.880 867 HA TYR 111 HA TYR 111 -2.904 6.291 -4.030 868 HB2 TYR 111 2HB TYR 111 -0.707 4.989 -2.437 869 HB3 TYR 111 3HB TYR 111 -1.601 6.374 -1.819 870 HD1 TYR 111 HD2 TYR 111 -3.997 6.185 -1.321 871 HD2 TYR 111 HD1 TYR 111 -1.722 2.804 -2.546 872 HE1 TYR 111 HE2 TYR 111 -5.783 4.701 -0.517 873 HE2 TYR 111 HE1 TYR 111 -3.505 1.310 -1.749 874 HH TYR 111 HH TYR 111 -6.601 2.404 -0.991 875 H ASP 112 H ASP 112 -2.663 8.321 -4.484 876 HA ASP 112 HA ASP 112 -0.004 9.391 -5.086 877 HB2 ASP 112 2HB ASP 112 -1.876 9.609 -6.756 878 HB3 ASP 112 3HB ASP 112 -2.723 10.625 -5.596 879 H PHE 113 H PHE 113 0.973 10.316 -3.395 880 HA PHE 113 HA PHE 113 -0.693 11.681 -1.389 881 HB2 PHE 113 2HB PHE 113 2.136 10.629 -1.227 882 HB3 PHE 113 3HB PHE 113 1.349 11.548 0.051 883 HD1 PHE 113 HD1 PHE 113 -0.655 10.584 1.186 884 HD2 PHE 113 HD2 PHE 113 1.776 8.322 -1.477 885 HE1 PHE 113 HE1 PHE 113 -1.566 8.502 2.128 886 HE2 PHE 113 HE2 PHE 113 0.862 6.239 -0.543 887 HZ PHE 113 HZ PHE 113 -0.810 6.323 1.261 888 H ASN 114 H ASN 114 -0.617 13.790 -1.158 889 HA ASN 114 HA ASN 114 0.146 15.910 -0.984 890 HB2 ASN 114 2HB ASN 114 2.310 14.756 -0.273 891 HB3 ASN 114 3HB ASN 114 2.871 15.026 -1.918 892 HD21 ASN 114 1HD2 ASN 114 4.555 16.292 -0.992 893 HD22 ASN 114 2HD2 ASN 114 4.242 17.928 -0.505 894 H GLY 115 H GLY 115 0.570 14.129 -3.905 895 HA2 GLY 115 2HA GLY 115 1.138 16.349 -5.606 896 HA3 GLY 115 3HA GLY 115 0.559 14.769 -6.116 897 H LYS 116 H LYS 116 -0.203 17.930 -6.193 898 HA LYS 116 HA LYS 116 -3.027 17.342 -6.593 899 HB2 LYS 116 2HB LYS 116 -2.728 18.038 -4.191 900 HB3 LYS 116 3HB LYS 116 -2.150 19.594 -4.774 901 HG2 LYS 116 2HG LYS 116 -4.319 19.936 -5.904 902 HG3 LYS 116 3HG LYS 116 -4.885 18.415 -5.210 903 HD2 LYS 116 2HD LYS 116 -4.442 19.335 -2.953 904 HD3 LYS 116 3HD LYS 116 -4.013 20.873 -3.700 905 HE2 LYS 116 2HE LYS 116 -6.280 20.998 -2.928 906 HE3 LYS 116 3HE LYS 116 -6.287 20.966 -4.691 907 HZ1 LYS 116 3HZ LYS 116 -6.764 18.588 -2.966 908 HZ2 LYS 116 1HZ LYS 116 -6.906 18.662 -4.657 909 HZ3 LYS 116 2HZ LYS 116 -7.985 19.525 -3.672 910 H LEU 117 H LEU 117 -3.958 18.624 -8.125 911 HA LEU 117 HA LEU 117 -2.314 20.140 -9.846 912 HB2 LEU 117 2HB LEU 117 -4.248 20.622 -11.104 913 HB3 LEU 117 3HB LEU 117 -4.489 19.009 -10.466 914 HG LEU 117 HG LEU 117 -5.714 21.488 -9.249 915 HD11 LEU 117 1HD1 LEU 117 -6.553 21.199 -11.505 916 HD12 LEU 117 2HD1 LEU 117 -7.795 20.761 -10.332 917 HD13 LEU 117 3HD1 LEU 117 -6.901 19.501 -11.182 918 HD21 LEU 117 3HD2 LEU 117 -5.514 19.618 -7.702 919 HD22 LEU 117 1HD2 LEU 117 -6.292 18.550 -8.871 920 HD23 LEU 117 2HD2 LEU 117 -7.201 19.877 -8.149 921 H GLU 118 H GLU 118 -2.484 22.417 -10.318 922 HA GLU 118 HA GLU 118 -3.050 23.998 -7.892 923 HB2 GLU 118 2HB GLU 118 -1.086 24.794 -10.023 924 HB3 GLU 118 3HB GLU 118 -1.193 25.362 -8.365 925 HG2 GLU 118 2HG GLU 118 -0.199 23.433 -7.516 926 HG3 GLU 118 3HG GLU 118 -0.488 22.524 -9.001 927 H HIS 119 H HIS 119 -3.355 26.381 -8.458 928 HA HIS 119 HA HIS 119 -4.663 26.686 -11.083 929 HB2 HIS 119 2HB HIS 119 -5.897 28.543 -10.241 930 HB3 HIS 119 3HB HIS 119 -6.034 27.276 -9.034 931 HD1 HIS 119 HD1 HIS 119 -5.302 30.779 -9.400 932 HD2 HIS 119 HD2 HIS 119 -4.208 27.771 -6.746 933 HE1 HIS 119 HE1 HIS 119 -4.464 31.956 -7.346 934 HE2 HIS 119 HE2 HIS 119 -4.066 30.121 -5.676 935 H HIS 120 H HIS 120 -1.809 26.724 -9.997 936 HA HIS 120 HA HIS 120 -0.751 29.325 -10.375 937 HB2 HIS 120 2HB HIS 120 0.344 27.477 -9.084 938 HB3 HIS 120 3HB HIS 120 0.674 26.662 -10.605 939 HD1 HIS 120 HD1 HIS 120 2.214 28.795 -8.217 940 HD2 HIS 120 HD2 HIS 120 2.379 28.445 -12.359 941 HE1 HIS 120 HE1 HIS 120 4.359 29.918 -8.912 942 HE2 HIS 120 HE2 HIS 120 4.380 29.798 -11.433 943 H HIS 121 H HIS 121 0.110 26.498 -12.369 944 HA HIS 121 HA HIS 121 0.112 28.289 -14.700 945 HB2 HIS 121 2HB HIS 121 1.577 26.650 -15.801 946 HB3 HIS 121 3HB HIS 121 2.268 27.217 -14.292 947 HD1 HIS 121 HD1 HIS 121 0.771 24.147 -15.890 948 HD2 HIS 121 HD2 HIS 121 2.712 25.262 -12.381 949 HE1 HIS 121 HE1 HIS 121 1.408 22.000 -14.750 950 HE2 HIS 121 HE2 HIS 121 2.762 22.706 -12.748 951 H HIS 122 H HIS 122 -2.192 26.977 -13.450 952 HA HIS 122 HA HIS 122 -3.080 25.343 -15.723 953 HB2 HIS 122 2HB HIS 122 -2.959 24.050 -13.642 954 HB3 HIS 122 3HB HIS 122 -3.996 25.220 -12.840 955 HD1 HIS 122 HD1 HIS 122 -4.407 23.325 -16.136 956 HD2 HIS 122 HD2 HIS 122 -6.387 24.047 -12.548 957 HE1 HIS 122 HE1 HIS 122 -6.626 22.143 -16.330 958 HE2 HIS 122 HE2 HIS 122 -7.732 22.460 -14.078 959 H HIS 123 H HIS 123 -3.268 27.852 -16.293 960 HA HIS 123 HA HIS 123 -6.061 28.606 -15.755 961 HB2 HIS 123 2HB HIS 123 -3.746 30.170 -16.911 962 HB3 HIS 123 3HB HIS 123 -5.407 30.750 -16.969 963 HD1 HIS 123 HD1 HIS 123 -6.400 31.712 -14.828 964 HD2 HIS 123 HD2 HIS 123 -2.589 30.121 -14.317 965 HE1 HIS 123 HE1 HIS 123 -5.648 32.465 -12.543 966 HE2 HIS 123 HE2 HIS 123 -3.386 31.406 -12.210 967 H HIS 124 H HIS 124 -4.196 26.896 -17.831 968 HA HIS 124 HA HIS 124 -6.149 27.179 -20.009 969 HB2 HIS 124 2HB HIS 124 -3.238 26.424 -20.046 970 HB3 HIS 124 3HB HIS 124 -4.312 25.918 -21.344 971 HD1 HIS 124 HD1 HIS 124 -1.971 28.424 -20.695 972 HD2 HIS 124 HD2 HIS 124 -5.816 28.450 -22.281 973 HE1 HIS 124 HE1 HIS 124 -2.143 30.554 -22.023 974 HE2 HIS 124 HE2 HIS 124 -4.385 30.411 -23.171 Start of MODEL 10 1 H1 MET 1 1H MET 1 -13.500 -16.115 21.385 2 H2 MET 1 2H MET 1 -14.641 -17.354 21.574 3 H3 MET 1 3H MET 1 -15.118 -15.732 21.729 4 HA MET 1 HA MET 1 -14.151 -17.059 19.265 5 HB2 MET 1 2HB MET 1 -16.876 -15.964 20.006 6 HB3 MET 1 3HB MET 1 -16.429 -16.582 18.422 7 HG2 MET 1 2HG MET 1 -16.025 -18.786 19.392 8 HG3 MET 1 3HG MET 1 -16.486 -18.168 20.977 9 HE1 MET 1 3HE MET 1 -17.824 -20.746 19.891 10 HE2 MET 1 1HE MET 1 -19.531 -20.428 20.208 11 HE3 MET 1 2HE MET 1 -18.313 -19.962 21.395 12 H ASN 2 H ASN 2 -13.301 -15.764 17.807 13 HA ASN 2 HA ASN 2 -13.895 -12.882 17.969 14 HB2 ASN 2 2HB ASN 2 -11.643 -12.278 17.545 15 HB3 ASN 2 3HB ASN 2 -11.569 -13.496 18.808 16 HD21 ASN 2 1HD2 ASN 2 -11.913 -15.796 17.084 17 HD22 ASN 2 2HD2 ASN 2 -10.458 -15.939 16.163 18 H GLU 3 H GLU 3 -14.228 -15.593 16.243 19 HA GLU 3 HA GLU 3 -13.640 -14.667 13.601 20 HB2 GLU 3 2HB GLU 3 -15.587 -16.870 14.234 21 HB3 GLU 3 3HB GLU 3 -14.556 -16.697 12.826 22 HG2 GLU 3 2HG GLU 3 -13.579 -18.428 14.019 23 HG3 GLU 3 3HG GLU 3 -12.604 -17.023 14.456 24 H LEU 4 H LEU 4 -16.759 -15.640 14.997 25 HA LEU 4 HA LEU 4 -18.833 -14.737 14.954 26 HB2 LEU 4 2HB LEU 4 -17.318 -12.170 14.499 27 HB3 LEU 4 3HB LEU 4 -19.021 -12.270 14.903 28 HG LEU 4 HG LEU 4 -16.738 -13.170 16.663 29 HD11 LEU 4 1HD1 LEU 4 -16.903 -10.746 16.486 30 HD12 LEU 4 2HD1 LEU 4 -17.404 -11.301 18.086 31 HD13 LEU 4 3HD1 LEU 4 -18.616 -10.826 16.896 32 HD21 LEU 4 3HD2 LEU 4 -19.704 -13.097 17.197 33 HD22 LEU 4 1HD2 LEU 4 -18.451 -13.519 18.363 34 HD23 LEU 4 2HD2 LEU 4 -18.733 -14.550 16.960 35 H ASP 5 H ASP 5 -17.506 -15.615 12.419 36 HA ASP 5 HA ASP 5 -18.739 -13.962 10.403 37 HB2 ASP 5 2HB ASP 5 -17.942 -15.710 8.811 38 HB3 ASP 5 3HB ASP 5 -16.665 -15.006 9.790 39 H ILE 6 H ILE 6 -20.861 -14.030 11.200 40 HA ILE 6 HA ILE 6 -22.304 -16.547 11.181 41 HB ILE 6 HB ILE 6 -23.355 -13.738 11.600 42 HG12 ILE 6 2HG1 ILE 6 -21.677 -14.317 13.290 43 HG13 ILE 6 3HG1 ILE 6 -23.286 -14.262 14.001 44 HG21 ILE 6 1HG2 ILE 6 -24.586 -16.419 12.227 45 HG22 ILE 6 2HG2 ILE 6 -25.089 -15.312 10.950 46 HG23 ILE 6 3HG2 ILE 6 -25.274 -14.848 12.641 47 HD11 ILE 6 3HD1 ILE 6 -22.016 -16.134 14.858 48 HD12 ILE 6 1HD1 ILE 6 -21.776 -16.746 13.224 49 HD13 ILE 6 2HD1 ILE 6 -23.396 -16.704 13.920 50 H GLN 7 H GLN 7 -21.934 -13.669 9.244 51 HA GLN 7 HA GLN 7 -24.003 -14.013 7.407 52 HB2 GLN 7 2HB GLN 7 -22.514 -12.017 7.606 53 HB3 GLN 7 3HB GLN 7 -21.229 -12.946 6.845 54 HG2 GLN 7 2HG GLN 7 -22.498 -13.125 4.811 55 HG3 GLN 7 3HG GLN 7 -23.884 -12.337 5.564 56 HE21 GLN 7 1HE2 GLN 7 -22.237 -10.388 6.983 57 HE22 GLN 7 2HE2 GLN 7 -21.703 -9.258 5.791 58 H GLN 8 H GLN 8 -24.346 -15.410 5.788 59 HA GLN 8 HA GLN 8 -22.602 -17.701 5.637 60 HB2 GLN 8 2HB GLN 8 -25.196 -17.050 4.230 61 HB3 GLN 8 3HB GLN 8 -24.352 -18.588 4.092 62 HG2 GLN 8 2HG GLN 8 -24.607 -18.939 6.500 63 HG3 GLN 8 3HG GLN 8 -25.464 -17.403 6.628 64 HE21 GLN 8 1HE2 GLN 8 -25.857 -19.576 3.924 65 HE22 GLN 8 2HE2 GLN 8 -27.478 -20.053 4.296 66 H GLU 9 H GLU 9 -23.292 -14.897 3.716 67 HA GLU 9 HA GLU 9 -21.833 -15.926 1.427 68 HB2 GLU 9 2HB GLU 9 -23.030 -13.199 1.938 69 HB3 GLU 9 3HB GLU 9 -22.309 -13.725 0.424 70 HG2 GLU 9 2HG GLU 9 -24.031 -15.442 0.203 71 HG3 GLU 9 3HG GLU 9 -24.759 -14.899 1.717 72 H TYR 10 H TYR 10 -19.780 -15.394 0.892 73 HA TYR 10 HA TYR 10 -18.465 -13.244 2.374 74 HB2 TYR 10 2HB TYR 10 -17.924 -15.556 3.354 75 HB3 TYR 10 3HB TYR 10 -17.056 -15.865 1.855 76 HD1 TYR 10 HD1 TYR 10 -14.989 -14.633 1.343 77 HD2 TYR 10 HD2 TYR 10 -17.058 -14.046 5.014 78 HE1 TYR 10 HE1 TYR 10 -13.005 -13.527 2.280 79 HE2 TYR 10 HE2 TYR 10 -15.079 -12.932 5.958 80 HH TYR 10 HH TYR 10 -12.642 -12.882 5.588 81 HA PRO 11 HA PRO 11 -17.623 -12.934 -2.079 82 HB2 PRO 11 2HB PRO 11 -18.612 -10.472 -2.446 83 HB3 PRO 11 3HB PRO 11 -19.669 -11.878 -2.274 84 HG2 PRO 11 2HG PRO 11 -19.116 -9.689 -0.365 85 HG3 PRO 11 3HG PRO 11 -20.544 -10.725 -0.509 86 HD2 PRO 11 2HD PRO 11 -18.341 -10.990 1.308 87 HD3 PRO 11 3HD PRO 11 -19.761 -12.043 1.152 88 H PHE 12 H PHE 12 -16.951 -10.468 -3.125 89 HA PHE 12 HA PHE 12 -14.286 -10.085 -2.043 90 HB2 PHE 12 2HB PHE 12 -14.674 -10.368 -4.487 91 HB3 PHE 12 3HB PHE 12 -15.590 -8.866 -4.492 92 HD1 PHE 12 HD2 PHE 12 -12.241 -10.312 -3.921 93 HD2 PHE 12 HD1 PHE 12 -14.493 -6.780 -4.654 94 HE1 PHE 12 HE2 PHE 12 -10.153 -9.073 -4.320 95 HE2 PHE 12 HE1 PHE 12 -12.412 -5.533 -5.059 96 HZ PHE 12 HZ PHE 12 -10.238 -6.680 -4.891 97 H THR 13 H THR 13 -13.661 -8.347 -0.875 98 HA THR 13 HA THR 13 -15.213 -5.886 -0.980 99 HB THR 13 HB THR 13 -14.694 -7.298 1.645 100 HG1 THR 13 HG1 THR 13 -16.653 -7.639 -0.111 101 HG21 THR 13 3HG2 THR 13 -14.621 -4.865 1.847 102 HG22 THR 13 1HG2 THR 13 -16.073 -5.511 2.610 103 HG23 THR 13 2HG2 THR 13 -16.176 -4.738 1.028 104 H VAL 14 H VAL 14 -13.949 -4.139 -0.870 105 HA VAL 14 HA VAL 14 -11.226 -4.453 0.223 106 HB VAL 14 HB VAL 14 -12.130 -2.550 -1.956 107 HG11 VAL 14 1HG1 VAL 14 -9.765 -1.933 -2.127 108 HG12 VAL 14 2HG1 VAL 14 -9.393 -2.975 -0.752 109 HG13 VAL 14 3HG1 VAL 14 -10.419 -1.557 -0.534 110 HG21 VAL 14 3HG2 VAL 14 -10.281 -4.935 -2.106 111 HG22 VAL 14 1HG2 VAL 14 -10.683 -3.843 -3.432 112 HG23 VAL 14 2HG2 VAL 14 -11.931 -4.871 -2.728 113 H GLU 15 H GLU 15 -11.214 -3.621 2.169 114 HA GLU 15 HA GLU 15 -12.706 -1.148 2.716 115 HB2 GLU 15 2HB GLU 15 -13.270 -2.965 4.226 116 HB3 GLU 15 3HB GLU 15 -11.570 -3.260 4.562 117 HG2 GLU 15 2HG GLU 15 -12.548 -2.118 6.420 118 HG3 GLU 15 3HG GLU 15 -11.423 -1.030 5.608 119 H SER 16 H SER 16 -11.611 0.684 3.198 120 HA SER 16 HA SER 16 -8.765 0.543 3.774 121 HB2 SER 16 2HB SER 16 -8.958 0.531 1.293 122 HB3 SER 16 3HB SER 16 -9.822 2.066 1.380 123 HG SER 16 HG SER 16 -7.162 1.574 2.244 124 H MET 17 H MET 17 -8.141 2.111 5.105 125 HA MET 17 HA MET 17 -10.072 4.104 5.959 126 HB2 MET 17 2HB MET 17 -8.539 2.733 7.492 127 HB3 MET 17 3HB MET 17 -7.234 3.763 6.928 128 HG2 MET 17 2HG MET 17 -9.711 4.868 8.205 129 HG3 MET 17 3HG MET 17 -8.316 4.348 9.141 130 HE1 MET 17 3HE MET 17 -5.914 5.194 7.195 131 HE2 MET 17 1HE MET 17 -5.897 5.468 8.936 132 HE3 MET 17 2HE MET 17 -5.531 6.793 7.833 133 HA PRO 18 HA PRO 18 -8.616 7.099 2.998 134 HB2 PRO 18 2HB PRO 18 -9.606 9.300 4.372 135 HB3 PRO 18 3HB PRO 18 -10.519 8.316 3.224 136 HG2 PRO 18 2HG PRO 18 -10.476 8.203 6.207 137 HG3 PRO 18 3HG PRO 18 -11.843 8.013 5.094 138 HD2 PRO 18 2HD PRO 18 -10.702 5.896 6.270 139 HD3 PRO 18 3HD PRO 18 -11.292 5.813 4.595 140 H VAL 19 H VAL 19 -6.461 7.306 3.065 141 HA VAL 19 HA VAL 19 -5.099 8.259 5.430 142 HB VAL 19 HB VAL 19 -3.031 7.926 4.115 143 HG11 VAL 19 1HG1 VAL 19 -4.978 5.622 4.105 144 HG12 VAL 19 2HG1 VAL 19 -3.875 6.070 5.405 145 HG13 VAL 19 3HG1 VAL 19 -3.239 5.465 3.877 146 HG21 VAL 19 3HG2 VAL 19 -3.151 6.889 1.896 147 HG22 VAL 19 1HG2 VAL 19 -3.907 8.482 1.899 148 HG23 VAL 19 2HG2 VAL 19 -4.909 7.029 1.924 149 H ALA 20 H ALA 20 -3.448 9.987 5.238 150 HA ALA 20 HA ALA 20 -4.610 12.333 4.017 151 HB1 ALA 20 3HB ALA 20 -2.760 13.533 5.115 152 HB2 ALA 20 1HB ALA 20 -2.087 11.987 5.636 153 HB3 ALA 20 2HB ALA 20 -3.658 12.514 6.241 154 H ASP 21 H ASP 21 -4.148 13.054 2.062 155 HA ASP 21 HA ASP 21 -2.181 11.751 0.440 156 HB2 ASP 21 2HB ASP 21 -2.903 13.336 -1.328 157 HB3 ASP 21 3HB ASP 21 -4.252 12.486 -0.584 158 H GLU 22 H GLU 22 -2.322 14.743 2.231 159 HA GLU 22 HA GLU 22 0.211 15.603 1.073 160 HB2 GLU 22 2HB GLU 22 -0.168 17.615 2.608 161 HB3 GLU 22 3HB GLU 22 -1.258 17.417 1.245 162 HG2 GLU 22 2HG GLU 22 -2.950 16.475 2.710 163 HG3 GLU 22 3HG GLU 22 -1.851 16.613 4.083 164 H ILE 23 H ILE 23 1.597 14.088 1.883 165 HA ILE 23 HA ILE 23 1.989 14.097 4.801 166 HB ILE 23 HB ILE 23 1.626 11.866 3.901 167 HG12 ILE 23 2HG1 ILE 23 4.545 12.240 4.611 168 HG13 ILE 23 3HG1 ILE 23 3.226 12.163 5.774 169 HG21 ILE 23 1HG2 ILE 23 3.151 10.844 2.292 170 HG22 ILE 23 2HG2 ILE 23 4.010 12.373 2.131 171 HG23 ILE 23 3HG2 ILE 23 2.331 12.247 1.606 172 HD11 ILE 23 3HD1 ILE 23 4.099 9.962 3.918 173 HD12 ILE 23 1HD1 ILE 23 2.737 9.874 5.035 174 HD13 ILE 23 2HD1 ILE 23 4.378 10.048 5.656 175 H ALA 24 H ALA 24 4.021 14.556 5.663 176 HA ALA 24 HA ALA 24 5.696 16.154 3.850 177 HB1 ALA 24 3HB ALA 24 6.538 17.228 5.886 178 HB2 ALA 24 1HB ALA 24 5.533 16.159 6.865 179 HB3 ALA 24 2HB ALA 24 4.780 17.327 5.779 180 H GLY 25 H GLY 25 8.071 16.285 4.886 181 HA2 GLY 25 2HA GLY 25 9.221 13.689 4.516 182 HA3 GLY 25 3HA GLY 25 10.089 15.163 4.935 183 H ASP 26 H ASP 26 10.614 12.633 6.037 184 HA ASP 26 HA ASP 26 10.781 11.408 7.923 185 HB2 ASP 26 2HB ASP 26 11.369 12.750 9.992 186 HB3 ASP 26 3HB ASP 26 12.372 13.012 8.574 187 H GLU 27 H GLU 27 8.121 11.770 7.148 188 HA GLU 27 HA GLU 27 6.753 11.626 9.752 189 HB2 GLU 27 2HB GLU 27 6.081 13.674 8.656 190 HB3 GLU 27 3HB GLU 27 5.758 12.818 7.157 191 HG2 GLU 27 2HG GLU 27 3.877 11.706 8.119 192 HG3 GLU 27 3HG GLU 27 4.258 12.350 9.718 193 H THR 28 H THR 28 5.206 9.984 9.983 194 HA THR 28 HA THR 28 5.120 8.011 7.792 195 HB THR 28 HB THR 28 5.172 7.417 10.759 196 HG1 THR 28 HG1 THR 28 7.178 8.181 9.631 197 HG21 THR 28 3HG2 THR 28 5.454 5.077 10.041 198 HG22 THR 28 1HG2 THR 28 5.262 5.576 8.360 199 HG23 THR 28 2HG2 THR 28 3.918 5.749 9.491 200 H VAL 29 H VAL 29 3.157 7.355 7.175 201 HA VAL 29 HA VAL 29 0.866 7.915 8.944 202 HB VAL 29 HB VAL 29 -0.550 7.935 6.907 203 HG11 VAL 29 1HG1 VAL 29 0.125 10.155 6.124 204 HG12 VAL 29 2HG1 VAL 29 1.700 9.948 6.891 205 HG13 VAL 29 3HG1 VAL 29 0.242 10.030 7.880 206 HG21 VAL 29 3HG2 VAL 29 0.526 8.175 4.704 207 HG22 VAL 29 1HG2 VAL 29 0.845 6.600 5.434 208 HG23 VAL 29 2HG2 VAL 29 2.091 7.847 5.447 209 H GLU 30 H GLU 30 -0.868 6.329 8.944 210 HA GLU 30 HA GLU 30 0.146 3.649 8.269 211 HB2 GLU 30 2HB GLU 30 -1.307 2.756 10.025 212 HB3 GLU 30 3HB GLU 30 -0.173 3.934 10.668 213 HG2 GLU 30 2HG GLU 30 -1.885 5.589 10.837 214 HG3 GLU 30 3HG GLU 30 -3.030 4.561 9.974 215 H ILE 31 H ILE 31 -0.795 2.624 6.701 216 HA ILE 31 HA ILE 31 -3.395 3.519 5.705 217 HB ILE 31 HB ILE 31 -1.528 1.476 4.487 218 HG12 ILE 31 2HG1 ILE 31 -1.800 4.412 3.803 219 HG13 ILE 31 3HG1 ILE 31 -0.457 3.713 4.696 220 HG21 ILE 31 1HG2 ILE 31 -3.852 3.017 3.333 221 HG22 ILE 31 2HG2 ILE 31 -3.827 1.294 3.718 222 HG23 ILE 31 3HG2 ILE 31 -2.799 1.924 2.431 223 HD11 ILE 31 3HD1 ILE 31 0.114 4.093 2.366 224 HD12 ILE 31 1HD1 ILE 31 -1.222 3.055 1.863 225 HD13 ILE 31 2HD1 ILE 31 0.140 2.372 2.752 226 H ARG 32 H ARG 32 -4.944 2.612 6.980 227 HA ARG 32 HA ARG 32 -4.790 -0.137 7.834 228 HB2 ARG 32 2HB ARG 32 -7.076 1.839 7.995 229 HB3 ARG 32 3HB ARG 32 -7.020 0.281 8.804 230 HG2 ARG 32 2HG ARG 32 -5.156 1.007 10.159 231 HG3 ARG 32 3HG ARG 32 -5.096 2.543 9.294 232 HD2 ARG 32 2HD ARG 32 -7.387 3.035 10.089 233 HD3 ARG 32 3HD ARG 32 -7.357 1.538 11.017 234 HE ARG 32 HE ARG 32 -5.131 2.895 11.852 235 HH11 ARG 32 1HH1 ARG 32 -8.569 3.633 11.710 236 HH12 ARG 32 2HH1 ARG 32 -8.521 4.690 13.088 237 HH21 ARG 32 1HH2 ARG 32 -5.099 4.263 13.692 238 HH22 ARG 32 2HH2 ARG 32 -6.560 5.067 14.191 239 H LEU 33 H LEU 33 -5.367 -1.830 6.621 240 HA LEU 33 HA LEU 33 -7.213 -1.375 4.379 241 HB2 LEU 33 2HB LEU 33 -4.902 -1.161 3.581 242 HB3 LEU 33 3HB LEU 33 -4.531 -2.748 4.225 243 HG LEU 33 HG LEU 33 -6.204 -3.714 2.633 244 HD11 LEU 33 1HD1 LEU 33 -6.159 -0.949 1.434 245 HD12 LEU 33 2HD1 LEU 33 -7.529 -1.683 2.267 246 HD13 LEU 33 3HD1 LEU 33 -6.944 -2.373 0.753 247 HD21 LEU 33 3HD2 LEU 33 -3.822 -3.767 2.154 248 HD22 LEU 33 1HD2 LEU 33 -3.916 -2.158 1.438 249 HD23 LEU 33 2HD2 LEU 33 -4.747 -3.512 0.674 250 H GLU 34 H GLU 34 -8.672 -2.929 4.097 251 HA GLU 34 HA GLU 34 -8.046 -5.659 5.012 252 HB2 GLU 34 2HB GLU 34 -10.652 -4.170 5.295 253 HB3 GLU 34 3HB GLU 34 -10.563 -5.922 5.350 254 HG2 GLU 34 2HG GLU 34 -8.897 -5.604 7.251 255 HG3 GLU 34 3HG GLU 34 -9.454 -3.928 7.290 256 H ILE 35 H ILE 35 -7.776 -6.783 3.170 257 HA ILE 35 HA ILE 35 -9.772 -6.337 1.048 258 HB ILE 35 HB ILE 35 -7.011 -7.537 0.771 259 HG12 ILE 35 2HG1 ILE 35 -8.157 -4.905 -0.188 260 HG13 ILE 35 3HG1 ILE 35 -6.971 -5.108 1.097 261 HG21 ILE 35 1HG2 ILE 35 -8.567 -8.591 -0.755 262 HG22 ILE 35 2HG2 ILE 35 -7.493 -7.515 -1.648 263 HG23 ILE 35 3HG2 ILE 35 -9.147 -7.017 -1.295 264 HD11 ILE 35 3HD1 ILE 35 -6.561 -5.766 -1.811 265 HD12 ILE 35 1HD1 ILE 35 -5.373 -5.986 -0.526 266 HD13 ILE 35 2HD1 ILE 35 -5.920 -4.365 -0.954 267 H LYS 36 H LYS 36 -11.302 -7.800 1.047 268 HA LYS 36 HA LYS 36 -10.623 -10.518 1.951 269 HB2 LYS 36 2HB LYS 36 -13.377 -9.262 1.900 270 HB3 LYS 36 3HB LYS 36 -12.918 -10.789 2.644 271 HG2 LYS 36 2HG LYS 36 -11.493 -9.558 4.235 272 HG3 LYS 36 3HG LYS 36 -12.036 -8.041 3.518 273 HD2 LYS 36 2HD LYS 36 -14.389 -8.744 4.087 274 HD3 LYS 36 3HD LYS 36 -13.684 -10.072 5.013 275 HE2 LYS 36 2HE LYS 36 -13.243 -7.122 5.470 276 HE3 LYS 36 3HE LYS 36 -14.194 -8.206 6.480 277 HZ1 LYS 36 3HZ LYS 36 -11.282 -8.506 6.004 278 HZ2 LYS 36 1HZ LYS 36 -12.221 -9.390 7.100 279 HZ3 LYS 36 2HZ LYS 36 -11.938 -7.733 7.357 280 HA PRO 37 HA PRO 37 -11.613 -11.065 -2.445 281 HB2 PRO 37 2HB PRO 37 -9.436 -12.443 -3.120 282 HB3 PRO 37 3HB PRO 37 -9.339 -10.710 -2.794 283 HG2 PRO 37 2HG PRO 37 -8.453 -12.995 -1.125 284 HG3 PRO 37 3HG PRO 37 -7.790 -11.356 -1.235 285 HD2 PRO 37 2HD PRO 37 -9.589 -12.373 0.728 286 HD3 PRO 37 3HD PRO 37 -9.023 -10.704 0.544 287 H SER 38 H SER 38 -12.888 -12.572 -0.451 288 HA SER 38 HA SER 38 -13.876 -14.554 0.003 289 HB2 SER 38 2HB SER 38 -14.336 -14.593 -2.430 290 HB3 SER 38 3HB SER 38 -12.800 -15.407 -2.701 291 HG SER 38 HG SER 38 -14.231 -17.030 -2.604 292 H GLY 39 H GLY 39 -12.354 -14.755 1.721 293 HA2 GLY 39 2HA GLY 39 -9.851 -16.098 1.333 294 HA3 GLY 39 3HA GLY 39 -10.543 -15.602 2.867 295 H ASN 40 H ASN 40 -12.816 -17.366 1.201 296 HA ASN 40 HA ASN 40 -12.333 -19.711 2.841 297 HB2 ASN 40 2HB ASN 40 -14.589 -18.953 0.977 298 HB3 ASN 40 3HB ASN 40 -14.495 -20.517 1.779 299 HD21 ASN 40 1HD2 ASN 40 -16.486 -18.382 2.022 300 HD22 ASN 40 2HD2 ASN 40 -16.537 -17.989 3.705 301 H PHE 41 H PHE 41 -11.460 -18.617 -0.190 302 HA PHE 41 HA PHE 41 -10.852 -21.357 -1.075 303 HB2 PHE 41 2HB PHE 41 -11.731 -19.055 -2.844 304 HB3 PHE 41 3HB PHE 41 -11.206 -20.635 -3.413 305 HD1 PHE 41 HD2 PHE 41 -12.593 -22.625 -2.997 306 HD2 PHE 41 HD1 PHE 41 -13.928 -18.711 -2.000 307 HE1 PHE 41 HE2 PHE 41 -14.902 -23.455 -2.843 308 HE2 PHE 41 HE1 PHE 41 -16.239 -19.534 -1.840 309 HZ PHE 41 HZ PHE 41 -16.731 -21.907 -2.261 310 H ILE 42 H ILE 42 -8.802 -21.684 -1.768 311 HA ILE 42 HA ILE 42 -6.972 -19.400 -1.634 312 HB ILE 42 HB ILE 42 -6.336 -22.355 -1.752 313 HG12 ILE 42 2HG1 ILE 42 -6.258 -20.450 0.600 314 HG13 ILE 42 3HG1 ILE 42 -7.501 -21.665 0.330 315 HG21 ILE 42 1HG2 ILE 42 -4.069 -21.671 -1.115 316 HG22 ILE 42 2HG2 ILE 42 -4.557 -19.978 -1.207 317 HG23 ILE 42 3HG2 ILE 42 -4.548 -20.973 -2.663 318 HD11 ILE 42 3HD1 ILE 42 -5.883 -22.415 1.968 319 HD12 ILE 42 1HD1 ILE 42 -4.580 -22.204 0.798 320 HD13 ILE 42 2HD1 ILE 42 -5.823 -23.425 0.522 321 H GLY 43 H GLY 43 -6.900 -18.383 -3.534 322 HA2 GLY 43 2HA GLY 43 -7.431 -19.495 -6.044 323 HA3 GLY 43 3HA GLY 43 -6.582 -17.985 -5.765 324 H THR 44 H THR 44 -4.219 -18.266 -5.114 325 HA THR 44 HA THR 44 -3.033 -20.662 -6.288 326 HB THR 44 HB THR 44 -2.367 -17.857 -7.195 327 HG1 THR 44 HG1 THR 44 -4.066 -19.775 -8.079 328 HG21 THR 44 3HG2 THR 44 -1.131 -20.496 -7.994 329 HG22 THR 44 1HG2 THR 44 -0.341 -19.214 -7.070 330 HG23 THR 44 2HG2 THR 44 -0.799 -18.938 -8.750 331 H VAL 45 H VAL 45 -1.876 -17.465 -5.123 332 HA VAL 45 HA VAL 45 -0.435 -18.785 -2.975 333 HB VAL 45 HB VAL 45 1.070 -19.085 -4.908 334 HG11 VAL 45 1HG1 VAL 45 0.459 -17.119 -6.202 335 HG12 VAL 45 2HG1 VAL 45 2.197 -17.158 -5.905 336 HG13 VAL 45 3HG1 VAL 45 1.168 -16.073 -4.972 337 HG21 VAL 45 3HG2 VAL 45 2.087 -17.171 -2.814 338 HG22 VAL 45 1HG2 VAL 45 3.094 -18.165 -3.864 339 HG23 VAL 45 2HG2 VAL 45 2.026 -18.929 -2.687 340 H TYR 46 H TYR 46 -1.547 -15.944 -4.596 341 HA TYR 46 HA TYR 46 -1.935 -13.825 -3.950 342 HB2 TYR 46 2HB TYR 46 -1.587 -14.894 -1.145 343 HB3 TYR 46 3HB TYR 46 -2.332 -13.357 -1.578 344 HD1 TYR 46 HD2 TYR 46 -4.211 -13.746 -3.551 345 HD2 TYR 46 HD1 TYR 46 -3.084 -16.541 -0.550 346 HE1 TYR 46 HE2 TYR 46 -6.376 -14.876 -3.803 347 HE2 TYR 46 HE1 TYR 46 -5.246 -17.687 -0.800 348 HH TYR 46 HH TYR 46 -7.566 -17.108 -1.609 349 H THR 47 H THR 47 -0.254 -12.783 -4.828 350 HA THR 47 HA THR 47 2.162 -12.419 -3.181 351 HB THR 47 HB THR 47 1.937 -12.085 -6.180 352 HG1 THR 47 HG1 THR 47 1.785 -14.331 -4.945 353 HG21 THR 47 3HG2 THR 47 4.376 -12.183 -6.120 354 HG22 THR 47 1HG2 THR 47 4.335 -12.353 -4.365 355 HG23 THR 47 2HG2 THR 47 3.777 -10.859 -5.119 356 H LEU 48 H LEU 48 2.851 -10.373 -2.766 357 HA LEU 48 HA LEU 48 1.262 -8.156 -3.880 358 HB2 LEU 48 2HB LEU 48 1.074 -8.315 -1.457 359 HB3 LEU 48 3HB LEU 48 2.820 -8.334 -1.294 360 HG LEU 48 HG LEU 48 2.935 -6.028 -2.112 361 HD11 LEU 48 1HD1 LEU 48 0.978 -6.063 -3.576 362 HD12 LEU 48 2HD1 LEU 48 0.906 -4.718 -2.438 363 HD13 LEU 48 3HD1 LEU 48 -0.077 -6.155 -2.165 364 HD21 LEU 48 3HD2 LEU 48 0.981 -6.429 0.151 365 HD22 LEU 48 1HD2 LEU 48 1.882 -4.948 -0.176 366 HD23 LEU 48 2HD2 LEU 48 2.741 -6.420 0.278 367 H ARG 49 H ARG 49 2.285 -7.099 -5.427 368 HA ARG 49 HA ARG 49 5.232 -7.040 -5.395 369 HB2 ARG 49 2HB ARG 49 3.998 -8.093 -7.364 370 HB3 ARG 49 3HB ARG 49 3.441 -6.478 -7.757 371 HG2 ARG 49 2HG ARG 49 5.743 -5.737 -8.038 372 HG3 ARG 49 3HG ARG 49 6.313 -7.355 -7.627 373 HD2 ARG 49 2HD ARG 49 4.627 -6.579 -10.002 374 HD3 ARG 49 3HD ARG 49 6.318 -7.073 -10.027 375 HE ARG 49 HE ARG 49 4.036 -8.844 -9.406 376 HH11 ARG 49 1HH1 ARG 49 7.329 -8.362 -10.501 377 HH12 ARG 49 2HH1 ARG 49 7.548 -10.028 -10.958 378 HH21 ARG 49 1HH2 ARG 49 4.312 -11.029 -10.037 379 HH22 ARG 49 2HH2 ARG 49 5.852 -11.530 -10.691 380 H TYR 50 H TYR 50 6.194 -5.148 -5.040 381 HA TYR 50 HA TYR 50 4.455 -2.781 -4.855 382 HB2 TYR 50 2HB TYR 50 5.421 -3.525 -2.726 383 HB3 TYR 50 3HB TYR 50 7.037 -3.420 -3.409 384 HD1 TYR 50 HD2 TYR 50 4.034 -1.265 -2.826 385 HD2 TYR 50 HD1 TYR 50 8.278 -1.521 -2.995 386 HE1 TYR 50 HE2 TYR 50 4.202 1.061 -2.047 387 HE2 TYR 50 HE1 TYR 50 8.455 0.802 -2.215 388 HH TYR 50 HH TYR 50 7.064 2.847 -2.188 389 H PHE 51 H PHE 51 4.989 -0.898 -5.863 390 HA PHE 51 HA PHE 51 7.619 -0.681 -7.132 391 HB2 PHE 51 2HB PHE 51 5.969 -1.587 -8.798 392 HB3 PHE 51 3HB PHE 51 5.042 -0.102 -8.606 393 HD1 PHE 51 HD2 PHE 51 8.469 -1.277 -9.456 394 HD2 PHE 51 HD1 PHE 51 5.451 1.665 -10.031 395 HE1 PHE 51 HE2 PHE 51 9.849 -0.206 -11.186 396 HE2 PHE 51 HE1 PHE 51 6.826 2.739 -11.766 397 HZ PHE 51 HZ PHE 51 9.028 1.804 -12.346 398 H GLN 52 H GLN 52 8.297 1.470 -7.492 399 HA GLN 52 HA GLN 52 6.599 3.640 -6.587 400 HB2 GLN 52 2HB GLN 52 7.639 2.680 -4.523 401 HB3 GLN 52 3HB GLN 52 9.218 3.053 -5.196 402 HG2 GLN 52 2HG GLN 52 8.695 5.420 -5.172 403 HG3 GLN 52 3HG GLN 52 7.076 5.071 -4.564 404 HE21 GLN 52 1HE2 GLN 52 9.954 3.360 -3.564 405 HE22 GLN 52 2HE2 GLN 52 9.961 3.939 -1.933 406 HA PRO 53 HA PRO 53 9.360 5.006 -9.916 407 HB2 PRO 53 2HB PRO 53 7.284 6.699 -10.877 408 HB3 PRO 53 3HB PRO 53 7.818 5.162 -11.554 409 HG2 PRO 53 2HG PRO 53 5.348 5.639 -10.362 410 HG3 PRO 53 3HG PRO 53 6.062 4.046 -10.658 411 HD2 PRO 53 2HD PRO 53 5.935 5.635 -8.142 412 HD3 PRO 53 3HD PRO 53 5.891 3.876 -8.375 413 H ASP 54 H ASP 54 6.997 7.398 -8.722 414 HA ASP 54 HA ASP 54 9.180 9.346 -8.554 415 HB2 ASP 54 2HB ASP 54 6.188 9.765 -8.685 416 HB3 ASP 54 3HB ASP 54 7.371 11.058 -8.516 417 H GLY 55 H GLY 55 9.214 10.832 -6.751 418 HA2 GLY 55 2HA GLY 55 9.168 11.286 -4.483 419 HA3 GLY 55 3HA GLY 55 7.869 10.110 -4.312 420 H LYS 56 H LYS 56 9.214 9.649 -2.300 421 HA LYS 56 HA LYS 56 10.444 7.141 -2.729 422 HB2 LYS 56 2HB LYS 56 12.299 8.802 -3.371 423 HB3 LYS 56 3HB LYS 56 12.352 9.223 -1.666 424 HG2 LYS 56 2HG LYS 56 14.064 7.647 -2.005 425 HG3 LYS 56 3HG LYS 56 12.758 6.771 -1.202 426 HD2 LYS 56 2HD LYS 56 12.017 5.880 -3.343 427 HD3 LYS 56 3HD LYS 56 13.276 6.791 -4.173 428 HE2 LYS 56 2HE LYS 56 14.964 5.528 -2.833 429 HE3 LYS 56 3HE LYS 56 13.647 4.537 -2.208 430 HZ1 LYS 56 3HZ LYS 56 14.645 3.412 -4.050 431 HZ2 LYS 56 1HZ LYS 56 14.499 4.782 -5.041 432 HZ3 LYS 56 2HZ LYS 56 13.113 3.948 -4.538 433 H GLY 57 H GLY 57 10.100 5.979 -0.958 434 HA2 GLY 57 2HA GLY 57 10.399 7.038 1.686 435 HA3 GLY 57 3HA GLY 57 8.713 6.798 1.238 436 H SER 58 H SER 58 9.303 5.356 3.272 437 HA SER 58 HA SER 58 9.993 2.687 2.241 438 HB2 SER 58 2HB SER 58 10.617 2.230 4.693 439 HB3 SER 58 3HB SER 58 11.709 3.254 3.763 440 HG SER 58 HG SER 58 11.026 5.002 4.841 441 H LEU 59 H LEU 59 8.333 1.353 2.164 442 HA LEU 59 HA LEU 59 6.022 1.854 3.902 443 HB2 LEU 59 2HB LEU 59 5.658 1.846 1.441 444 HB3 LEU 59 3HB LEU 59 6.186 0.175 1.397 445 HG LEU 59 HG LEU 59 4.278 -0.437 2.860 446 HD11 LEU 59 1HD1 LEU 59 3.530 2.454 2.480 447 HD12 LEU 59 2HD1 LEU 59 3.920 1.651 4.001 448 HD13 LEU 59 3HD1 LEU 59 2.458 1.211 3.121 449 HD21 LEU 59 3HD2 LEU 59 2.545 -0.181 1.163 450 HD22 LEU 59 1HD2 LEU 59 4.086 -0.647 0.443 451 HD23 LEU 59 2HD2 LEU 59 3.530 1.024 0.335 452 H LYS 60 H LYS 60 6.108 0.706 5.704 453 HA LYS 60 HA LYS 60 7.161 -2.043 5.585 454 HB2 LYS 60 2HB LYS 60 6.620 -0.460 8.101 455 HB3 LYS 60 3HB LYS 60 7.562 -1.932 7.936 456 HG2 LYS 60 2HG LYS 60 9.241 -0.422 8.137 457 HG3 LYS 60 3HG LYS 60 9.045 -0.400 6.383 458 HD2 LYS 60 2HD LYS 60 7.756 1.608 6.476 459 HD3 LYS 60 3HD LYS 60 7.647 1.525 8.235 460 HE2 LYS 60 2HE LYS 60 10.180 1.929 6.648 461 HE3 LYS 60 3HE LYS 60 9.281 3.195 7.483 462 HZ1 LYS 60 3HZ LYS 60 11.165 2.421 8.787 463 HZ2 LYS 60 1HZ LYS 60 10.553 0.842 8.779 464 HZ3 LYS 60 2HZ LYS 60 9.707 2.075 9.577 465 H MET 61 H MET 61 5.934 -3.747 6.348 466 HA MET 61 HA MET 61 3.145 -3.104 7.010 467 HB2 MET 61 2HB MET 61 2.940 -5.713 6.749 468 HB3 MET 61 3HB MET 61 2.948 -4.666 5.340 469 HG2 MET 61 2HG MET 61 5.361 -5.125 5.072 470 HG3 MET 61 3HG MET 61 5.263 -6.257 6.413 471 HE1 MET 61 3HE MET 61 2.292 -7.454 5.819 472 HE2 MET 61 1HE MET 61 3.650 -8.449 6.345 473 HE3 MET 61 2HE MET 61 2.719 -8.910 4.919 474 H GLU 62 H GLU 62 2.146 -4.498 8.741 475 HA GLU 62 HA GLU 62 3.307 -3.640 11.090 476 HB2 GLU 62 2HB GLU 62 1.214 -5.771 10.688 477 HB3 GLU 62 3HB GLU 62 1.620 -5.065 12.247 478 HG2 GLU 62 2HG GLU 62 0.980 -2.865 11.424 479 HG3 GLU 62 3HG GLU 62 0.570 -3.568 9.862 480 H ASP 63 H ASP 63 3.661 -6.823 9.610 481 HA ASP 63 HA ASP 63 4.680 -8.133 11.901 482 HB2 ASP 63 2HB ASP 63 5.237 -9.920 10.487 483 HB3 ASP 63 3HB ASP 63 3.872 -9.165 9.668 484 H GLY 64 H GLY 64 6.092 -6.029 9.524 485 HA2 GLY 64 2HA GLY 64 8.084 -4.813 10.339 486 HA3 GLY 64 3HA GLY 64 8.716 -6.379 10.827 487 H THR 65 H THR 65 7.129 -6.884 7.971 488 HA THR 65 HA THR 65 9.569 -7.092 6.490 489 HB THR 65 HB THR 65 6.694 -7.406 5.587 490 HG1 THR 65 HG1 THR 65 7.364 -8.984 7.113 491 HG21 THR 65 3HG2 THR 65 8.127 -6.891 3.686 492 HG22 THR 65 1HG2 THR 65 7.644 -8.587 3.643 493 HG23 THR 65 2HG2 THR 65 9.266 -8.143 4.180 494 H VAL 66 H VAL 66 10.490 -5.634 5.188 495 HA VAL 66 HA VAL 66 9.087 -3.125 4.677 496 HB VAL 66 HB VAL 66 11.943 -3.884 4.020 497 HG11 VAL 66 1HG1 VAL 66 12.272 -1.456 3.761 498 HG12 VAL 66 2HG1 VAL 66 10.540 -1.210 3.999 499 HG13 VAL 66 3HG1 VAL 66 11.121 -2.105 2.593 500 HG21 VAL 66 3HG2 VAL 66 12.566 -2.536 5.958 501 HG22 VAL 66 1HG2 VAL 66 11.538 -3.886 6.434 502 HG23 VAL 66 2HG2 VAL 66 10.864 -2.258 6.328 503 H LEU 67 H LEU 67 7.932 -2.935 2.904 504 HA LEU 67 HA LEU 67 8.119 -4.814 0.759 505 HB2 LEU 67 2HB LEU 67 6.542 -2.252 1.022 506 HB3 LEU 67 3HB LEU 67 6.333 -3.433 -0.258 507 HG LEU 67 HG LEU 67 5.881 -3.999 2.681 508 HD11 LEU 67 1HD1 LEU 67 4.223 -2.431 1.833 509 HD12 LEU 67 2HD1 LEU 67 3.505 -4.017 2.121 510 HD13 LEU 67 3HD1 LEU 67 3.886 -3.503 0.476 511 HD21 LEU 67 3HD2 LEU 67 5.293 -5.631 0.213 512 HD22 LEU 67 1HD2 LEU 67 4.835 -6.054 1.862 513 HD23 LEU 67 2HD2 LEU 67 6.539 -5.967 1.416 514 H LYS 68 H LYS 68 9.044 -4.574 -1.222 515 HA LYS 68 HA LYS 68 10.844 -2.266 -1.468 516 HB2 LYS 68 2HB LYS 68 11.936 -4.351 -0.606 517 HB3 LYS 68 3HB LYS 68 11.509 -5.142 -2.113 518 HG2 LYS 68 2HG LYS 68 12.922 -3.641 -3.355 519 HG3 LYS 68 3HG LYS 68 13.276 -2.716 -1.893 520 HD2 LYS 68 2HD LYS 68 14.320 -4.696 -0.899 521 HD3 LYS 68 3HD LYS 68 13.972 -5.616 -2.364 522 HE2 LYS 68 2HE LYS 68 15.751 -3.191 -2.155 523 HE3 LYS 68 3HE LYS 68 16.283 -4.860 -2.341 524 HZ1 LYS 68 3HZ LYS 68 14.826 -3.189 -4.306 525 HZ2 LYS 68 1HZ LYS 68 14.977 -4.874 -4.468 526 HZ3 LYS 68 2HZ LYS 68 16.357 -3.895 -4.466 527 HA PRO 69 HA PRO 69 8.931 -1.790 -5.431 528 HB2 PRO 69 2HB PRO 69 10.948 -0.250 -6.531 529 HB3 PRO 69 3HB PRO 69 9.629 0.370 -5.536 530 HG2 PRO 69 2HG PRO 69 12.439 -0.276 -4.767 531 HG3 PRO 69 3HG PRO 69 11.407 1.063 -4.235 532 HD2 PRO 69 2HD PRO 69 11.849 -1.083 -2.681 533 HD3 PRO 69 3HD PRO 69 10.282 -0.246 -2.696 534 H ASN 70 H ASN 70 8.934 -2.961 -7.198 535 HA ASN 70 HA ASN 70 9.607 -4.102 -9.044 536 HB2 ASN 70 2HB ASN 70 12.402 -3.434 -8.111 537 HB3 ASN 70 3HB ASN 70 12.065 -4.380 -9.557 538 HD21 ASN 70 1HD2 ASN 70 11.252 -3.360 -11.378 539 HD22 ASN 70 2HD2 ASN 70 11.217 -1.635 -11.531 540 H ASP 71 H ASP 71 9.658 -5.053 -6.005 541 HA ASP 71 HA ASP 71 10.429 -7.785 -6.789 542 HB2 ASP 71 2HB ASP 71 12.001 -6.587 -5.108 543 HB3 ASP 71 3HB ASP 71 10.701 -6.844 -3.945 544 H ARG 72 H ARG 72 9.496 -9.270 -4.767 545 HA ARG 72 HA ARG 72 6.644 -8.618 -4.576 546 HB2 ARG 72 2HB ARG 72 6.102 -10.929 -5.384 547 HB3 ARG 72 3HB ARG 72 6.785 -9.878 -6.619 548 HG2 ARG 72 2HG ARG 72 8.945 -10.947 -6.384 549 HG3 ARG 72 3HG ARG 72 8.337 -11.938 -5.056 550 HD2 ARG 72 2HD ARG 72 6.798 -13.055 -6.544 551 HD3 ARG 72 3HD ARG 72 7.262 -11.994 -7.874 552 HE ARG 72 HE ARG 72 9.608 -13.138 -7.148 553 HH11 ARG 72 1HH1 ARG 72 6.453 -14.500 -7.890 554 HH12 ARG 72 2HH1 ARG 72 7.119 -15.931 -8.630 555 HH21 ARG 72 1HH2 ARG 72 10.462 -15.019 -8.122 556 HH22 ARG 72 2HH2 ARG 72 9.379 -16.228 -8.741 557 H TYR 73 H TYR 73 5.603 -9.505 -2.833 558 HA TYR 73 HA TYR 73 7.091 -11.433 -1.176 559 HB2 TYR 73 2HB TYR 73 5.573 -8.996 -0.213 560 HB3 TYR 73 3HB TYR 73 6.115 -10.294 0.845 561 HD1 TYR 73 HD1 TYR 73 8.534 -10.642 1.238 562 HD2 TYR 73 HD2 TYR 73 7.101 -7.348 -1.041 563 HE1 TYR 73 HE1 TYR 73 10.713 -9.531 1.479 564 HE2 TYR 73 HE2 TYR 73 9.275 -6.236 -0.804 565 HH TYR 73 HH TYR 73 11.192 -6.276 0.783 566 H LEU 74 H LEU 74 5.661 -12.701 0.274 567 HA LEU 74 HA LEU 74 3.092 -13.186 -1.075 568 HB2 LEU 74 2HB LEU 74 4.739 -14.987 0.709 569 HB3 LEU 74 3HB LEU 74 3.160 -15.404 0.080 570 HG LEU 74 HG LEU 74 4.674 -16.532 -1.304 571 HD11 LEU 74 1HD1 LEU 74 4.025 -13.970 -2.745 572 HD12 LEU 74 2HD1 LEU 74 2.945 -15.351 -2.554 573 HD13 LEU 74 3HD1 LEU 74 4.429 -15.516 -3.492 574 HD21 LEU 74 3HD2 LEU 74 6.276 -13.989 -1.527 575 HD22 LEU 74 1HD2 LEU 74 6.623 -15.505 -2.359 576 HD23 LEU 74 2HD2 LEU 74 6.719 -15.423 -0.601 577 H LEU 75 H LEU 75 1.169 -13.197 0.056 578 HA LEU 75 HA LEU 75 1.332 -12.665 2.932 579 HB2 LEU 75 2HB LEU 75 -0.354 -10.949 2.851 580 HB3 LEU 75 3HB LEU 75 0.994 -10.500 1.835 581 HG LEU 75 HG LEU 75 -1.540 -11.691 0.719 582 HD11 LEU 75 1HD1 LEU 75 -0.832 -8.780 1.074 583 HD12 LEU 75 2HD1 LEU 75 -2.100 -9.652 1.935 584 HD13 LEU 75 3HD1 LEU 75 -2.228 -9.404 0.195 585 HD21 LEU 75 3HD2 LEU 75 0.393 -11.785 -0.760 586 HD22 LEU 75 1HD2 LEU 75 0.678 -10.061 -0.521 587 HD23 LEU 75 2HD2 LEU 75 -0.779 -10.607 -1.351 588 H ASN 76 H ASN 76 0.263 -14.123 3.997 589 HA ASN 76 HA ASN 76 -1.678 -15.811 2.669 590 HB2 ASN 76 2HB ASN 76 -0.011 -16.778 4.209 591 HB3 ASN 76 3HB ASN 76 -0.680 -15.824 5.528 592 HD21 ASN 76 1HD2 ASN 76 -1.128 -18.564 3.457 593 HD22 ASN 76 2HD2 ASN 76 -2.446 -19.263 4.337 594 H GLU 77 H GLU 77 -1.610 -13.481 5.328 595 HA GLU 77 HA GLU 77 -4.546 -13.466 5.332 596 HB2 GLU 77 2HB GLU 77 -2.555 -12.549 7.409 597 HB3 GLU 77 3HB GLU 77 -4.290 -12.273 7.527 598 HG2 GLU 77 2HG GLU 77 -4.718 -14.634 7.582 599 HG3 GLU 77 3HG GLU 77 -3.017 -14.989 7.286 600 H TRP 78 H TRP 78 -5.664 -11.643 4.897 601 HA TRP 78 HA TRP 78 -4.075 -9.582 3.533 602 HB2 TRP 78 2HB TRP 78 -6.864 -10.622 3.089 603 HB3 TRP 78 3HB TRP 78 -6.275 -9.151 2.328 604 HD1 TRP 78 HD1 TRP 78 -5.208 -12.890 2.524 605 HE1 TRP 78 HE1 TRP 78 -4.222 -13.538 0.237 606 HE3 TRP 78 HE3 TRP 78 -5.521 -8.356 0.190 607 HZ2 TRP 78 HZ2 TRP 78 -3.659 -12.292 -2.235 608 HZ3 TRP 78 HZ3 TRP 78 -4.740 -8.167 -2.135 609 HH2 TRP 78 HH2 TRP 78 -3.828 -10.096 -3.322 610 H LYS 79 H LYS 79 -5.205 -9.766 6.461 611 HA LYS 79 HA LYS 79 -6.308 -7.034 6.425 612 HB2 LYS 79 2HB LYS 79 -7.722 -8.810 7.506 613 HB3 LYS 79 3HB LYS 79 -6.440 -9.054 8.683 614 HG2 LYS 79 2HG LYS 79 -7.643 -6.343 8.301 615 HG3 LYS 79 3HG LYS 79 -8.466 -7.558 9.278 616 HD2 LYS 79 2HD LYS 79 -6.662 -7.670 10.813 617 HD3 LYS 79 3HD LYS 79 -5.598 -6.762 9.736 618 HE2 LYS 79 2HE LYS 79 -6.977 -4.773 10.031 619 HE3 LYS 79 3HE LYS 79 -8.082 -5.677 11.065 620 HZ1 LYS 79 3HZ LYS 79 -5.211 -5.472 11.737 621 HZ2 LYS 79 1HZ LYS 79 -6.527 -5.804 12.757 622 HZ3 LYS 79 2HZ LYS 79 -6.291 -4.233 12.161 623 H PHE 80 H PHE 80 -5.020 -5.452 7.101 624 HA PHE 80 HA PHE 80 -3.193 -5.620 9.233 625 HB2 PHE 80 2HB PHE 80 -1.061 -5.447 7.916 626 HB3 PHE 80 3HB PHE 80 -1.827 -7.029 7.825 627 HD1 PHE 80 HD1 PHE 80 -1.129 -3.921 5.978 628 HD2 PHE 80 HD2 PHE 80 -2.630 -7.895 5.757 629 HE1 PHE 80 HE1 PHE 80 -1.080 -3.803 3.520 630 HE2 PHE 80 HE2 PHE 80 -2.588 -7.783 3.301 631 HZ PHE 80 HZ PHE 80 -1.812 -5.734 2.180 632 H ARG 81 H ARG 81 -1.580 -3.698 9.094 633 HA ARG 81 HA ARG 81 -2.708 -1.531 7.454 634 HB2 ARG 81 2HB ARG 81 -2.668 -0.000 9.171 635 HB3 ARG 81 3HB ARG 81 -3.066 -1.455 10.067 636 HG2 ARG 81 2HG ARG 81 -0.646 -1.699 10.613 637 HG3 ARG 81 3HG ARG 81 -0.379 -0.124 9.860 638 HD2 ARG 81 2HD ARG 81 -0.592 0.312 12.160 639 HD3 ARG 81 3HD ARG 81 -2.137 0.776 11.451 640 HE ARG 81 HE ARG 81 -1.947 -1.926 12.538 641 HH11 ARG 81 1HH1 ARG 81 -3.047 1.390 12.950 642 HH12 ARG 81 2HH1 ARG 81 -4.085 1.007 14.288 643 HH21 ARG 81 1HH2 ARG 81 -3.349 -2.426 14.291 644 HH22 ARG 81 2HH2 ARG 81 -4.234 -1.142 15.073 645 H LEU 82 H LEU 82 -1.159 0.038 6.730 646 HA LEU 82 HA LEU 82 1.559 -1.090 6.610 647 HB2 LEU 82 2HB LEU 82 0.058 0.604 4.615 648 HB3 LEU 82 3HB LEU 82 1.751 0.174 4.463 649 HG LEU 82 HG LEU 82 -0.512 -1.821 4.539 650 HD11 LEU 82 1HD1 LEU 82 -0.578 -0.404 2.532 651 HD12 LEU 82 2HD1 LEU 82 -0.148 -2.072 2.156 652 HD13 LEU 82 3HD1 LEU 82 1.100 -0.825 2.193 653 HD21 LEU 82 3HD2 LEU 82 1.189 -3.404 3.813 654 HD22 LEU 82 1HD2 LEU 82 1.630 -2.679 5.359 655 HD23 LEU 82 2HD2 LEU 82 2.414 -2.137 3.876 656 H TYR 83 H TYR 83 3.282 0.175 7.065 657 HA TYR 83 HA TYR 83 2.713 2.892 8.042 658 HB2 TYR 83 2HB TYR 83 5.060 1.054 8.587 659 HB3 TYR 83 3HB TYR 83 4.896 2.689 9.221 660 HD1 TYR 83 HD1 TYR 83 3.223 3.190 10.943 661 HD2 TYR 83 HD2 TYR 83 3.814 -0.780 9.531 662 HE1 TYR 83 HE1 TYR 83 2.010 2.319 12.896 663 HE2 TYR 83 HE2 TYR 83 2.600 -1.662 11.478 664 HH TYR 83 HH TYR 83 2.027 -0.986 13.751 665 H TYR 84 H TYR 84 3.025 4.324 6.427 666 HA TYR 84 HA TYR 84 5.299 3.876 4.624 667 HB2 TYR 84 2HB TYR 84 3.081 4.172 3.551 668 HB3 TYR 84 3HB TYR 84 2.968 5.775 4.270 669 HD1 TYR 84 HD2 TYR 84 5.568 3.878 2.357 670 HD2 TYR 84 HD1 TYR 84 3.342 7.483 2.757 671 HE1 TYR 84 HE2 TYR 84 6.759 4.821 0.427 672 HE2 TYR 84 HE1 TYR 84 4.529 8.432 0.824 673 HH TYR 84 HH TYR 84 6.520 6.531 -1.237 674 H THR 85 H THR 85 7.069 4.789 5.362 675 HA THR 85 HA THR 85 6.903 7.383 6.708 676 HB THR 85 HB THR 85 9.271 5.515 6.419 677 HG1 THR 85 HG1 THR 85 7.495 5.953 8.625 678 HG21 THR 85 3HG2 THR 85 9.930 7.846 6.765 679 HG22 THR 85 1HG2 THR 85 10.278 6.874 8.197 680 HG23 THR 85 2HG2 THR 85 8.875 7.941 8.176 681 H SER 86 H SER 86 6.880 9.002 5.251 682 HA SER 86 HA SER 86 8.534 8.946 2.883 683 HB2 SER 86 2HB SER 86 6.872 11.163 4.117 684 HB3 SER 86 3HB SER 86 7.676 11.257 2.550 685 HG SER 86 HG SER 86 6.333 9.714 1.751 686 H GLN 87 H GLN 87 10.653 9.243 3.057 687 HA GLN 87 HA GLN 87 11.632 11.015 5.198 688 HB2 GLN 87 2HB GLN 87 13.651 9.645 5.272 689 HB3 GLN 87 3HB GLN 87 12.223 8.660 5.558 690 HG2 GLN 87 2HG GLN 87 12.303 7.914 3.213 691 HG3 GLN 87 3HG GLN 87 13.780 8.850 2.987 692 HE21 GLN 87 1HE2 GLN 87 14.719 8.198 5.710 693 HE22 GLN 87 2HE2 GLN 87 15.271 6.560 5.624 694 H SER 88 H SER 88 10.919 11.413 2.256 695 HA SER 88 HA SER 88 13.506 12.520 1.401 696 HB2 SER 88 2HB SER 88 11.406 11.369 -0.444 697 HB3 SER 88 3HB SER 88 13.053 11.852 -0.856 698 HG SER 88 HG SER 88 12.121 9.533 0.287 699 H ASP 89 H ASP 89 12.863 13.941 -0.722 700 HA ASP 89 HA ASP 89 10.866 15.873 0.244 701 HB2 ASP 89 2HB ASP 89 13.298 16.578 0.021 702 HB3 ASP 89 3HB ASP 89 13.122 16.382 -1.718 703 H LYS 90 H LYS 90 11.115 17.114 -2.534 704 HA LYS 90 HA LYS 90 10.004 17.164 -4.463 705 HB2 LYS 90 2HB LYS 90 9.906 14.163 -4.169 706 HB3 LYS 90 3HB LYS 90 9.483 15.063 -5.621 707 HG2 LYS 90 2HG LYS 90 11.733 15.917 -5.803 708 HG3 LYS 90 3HG LYS 90 12.179 15.136 -4.288 709 HD2 LYS 90 2HD LYS 90 11.277 13.709 -6.777 710 HD3 LYS 90 3HD LYS 90 12.954 13.915 -6.279 711 HE2 LYS 90 2HE LYS 90 12.435 12.701 -4.183 712 HE3 LYS 90 3HE LYS 90 10.801 12.422 -4.787 713 HZ1 LYS 90 3HZ LYS 90 12.208 10.511 -5.204 714 HZ2 LYS 90 1HZ LYS 90 13.316 11.471 -6.052 715 HZ3 LYS 90 2HZ LYS 90 11.756 11.226 -6.674 716 H GLU 91 H GLU 91 7.957 17.490 -5.173 717 HA GLU 91 HA GLU 91 6.078 17.682 -2.996 718 HB2 GLU 91 2HB GLU 91 5.857 18.599 -5.863 719 HB3 GLU 91 3HB GLU 91 4.815 19.095 -4.535 720 HG2 GLU 91 2HG GLU 91 6.403 20.450 -3.605 721 HG3 GLU 91 3HG GLU 91 7.747 19.532 -4.286 722 H ALA 92 H ALA 92 6.619 15.053 -4.552 723 HA ALA 92 HA ALA 92 3.901 14.150 -4.552 724 HB1 ALA 92 3HB ALA 92 3.781 13.454 -6.876 725 HB2 ALA 92 1HB ALA 92 5.367 14.158 -7.189 726 HB3 ALA 92 2HB ALA 92 4.007 15.200 -6.770 727 H GLN 93 H GLN 93 3.812 12.075 -4.051 728 HA GLN 93 HA GLN 93 6.169 10.373 -4.501 729 HB2 GLN 93 2HB GLN 93 4.498 10.502 -1.974 730 HB3 GLN 93 3HB GLN 93 5.770 9.328 -2.285 731 HG2 GLN 93 2HG GLN 93 7.417 11.123 -2.361 732 HG3 GLN 93 3HG GLN 93 6.142 12.311 -2.085 733 HE21 GLN 93 1HE2 GLN 93 5.219 12.488 -0.056 734 HE22 GLN 93 2HE2 GLN 93 5.925 11.762 1.349 735 H THR 94 H THR 94 5.596 8.671 -5.699 736 HA THR 94 HA THR 94 2.748 7.909 -5.732 737 HB THR 94 HB THR 94 4.766 7.465 -7.939 738 HG1 THR 94 HG1 THR 94 2.705 9.391 -8.107 739 HG21 THR 94 3HG2 THR 94 2.790 7.057 -9.323 740 HG22 THR 94 1HG2 THR 94 1.747 7.325 -7.926 741 HG23 THR 94 2HG2 THR 94 2.840 5.940 -7.958 742 H ILE 95 H ILE 95 2.390 6.046 -4.681 743 HA ILE 95 HA ILE 95 4.400 3.922 -5.025 744 HB ILE 95 HB ILE 95 3.583 2.874 -2.977 745 HG12 ILE 95 2HG1 ILE 95 1.851 5.331 -2.625 746 HG13 ILE 95 3HG1 ILE 95 1.245 3.748 -3.102 747 HG21 ILE 95 1HG2 ILE 95 4.319 5.775 -2.611 748 HG22 ILE 95 2HG2 ILE 95 5.438 4.434 -2.837 749 HG23 ILE 95 3HG2 ILE 95 4.449 4.522 -1.378 750 HD11 ILE 95 3HD1 ILE 95 2.592 4.434 -0.500 751 HD12 ILE 95 1HD1 ILE 95 2.046 2.825 -0.975 752 HD13 ILE 95 2HD1 ILE 95 0.872 4.122 -0.748 753 H ASP 96 H ASP 96 3.786 2.014 -5.896 754 HA ASP 96 HA ASP 96 0.959 1.803 -6.722 755 HB2 ASP 96 2HB ASP 96 2.763 2.207 -8.518 756 HB3 ASP 96 3HB ASP 96 3.279 0.556 -8.194 757 H LEU 97 H LEU 97 -0.094 0.141 -5.881 758 HA LEU 97 HA LEU 97 1.453 -2.099 -4.769 759 HB2 LEU 97 2HB LEU 97 -1.358 -1.188 -4.140 760 HB3 LEU 97 3HB LEU 97 -0.554 -2.562 -3.410 761 HG LEU 97 HG LEU 97 0.319 0.313 -3.126 762 HD11 LEU 97 1HD1 LEU 97 -1.795 -0.196 -1.977 763 HD12 LEU 97 2HD1 LEU 97 -0.480 0.125 -0.845 764 HD13 LEU 97 3HD1 LEU 97 -1.002 -1.533 -1.142 765 HD21 LEU 97 3HD2 LEU 97 1.837 -0.587 -1.412 766 HD22 LEU 97 1HD2 LEU 97 2.196 -1.229 -3.016 767 HD23 LEU 97 2HD2 LEU 97 1.333 -2.222 -1.841 768 H TYR 98 H TYR 98 1.579 -3.679 -6.231 769 HA TYR 98 HA TYR 98 -0.758 -4.306 -7.877 770 HB2 TYR 98 2HB TYR 98 2.027 -5.481 -7.965 771 HB3 TYR 98 3HB TYR 98 0.741 -5.801 -9.115 772 HD1 TYR 98 HD2 TYR 98 -0.172 -3.718 -10.407 773 HD2 TYR 98 HD1 TYR 98 3.578 -3.828 -8.399 774 HE1 TYR 98 HE2 TYR 98 0.620 -1.848 -11.792 775 HE2 TYR 98 HE1 TYR 98 4.375 -1.954 -9.776 776 HH TYR 98 HH TYR 98 2.423 0.047 -11.419 777 H PHE 99 H PHE 99 -2.166 -5.434 -6.621 778 HA PHE 99 HA PHE 99 -1.234 -7.680 -5.037 779 HB2 PHE 99 2HB PHE 99 -4.039 -6.749 -5.704 780 HB3 PHE 99 3HB PHE 99 -3.646 -8.048 -4.582 781 HD1 PHE 99 HD1 PHE 99 -2.453 -7.535 -2.473 782 HD2 PHE 99 HD2 PHE 99 -3.888 -4.471 -5.053 783 HE1 PHE 99 HE1 PHE 99 -2.241 -5.901 -0.645 784 HE2 PHE 99 HE2 PHE 99 -3.680 -2.833 -3.229 785 HZ PHE 99 HZ PHE 99 -2.852 -3.546 -1.023 786 H GLU 100 H GLU 100 -0.811 -9.600 -5.923 787 HA GLU 100 HA GLU 100 -1.943 -10.152 -8.588 788 HB2 GLU 100 2HB GLU 100 0.332 -9.192 -8.721 789 HB3 GLU 100 3HB GLU 100 0.929 -10.493 -7.704 790 HG2 GLU 100 2HG GLU 100 0.341 -12.112 -9.424 791 HG3 GLU 100 3HG GLU 100 -0.265 -10.808 -10.447 792 H ASP 101 H ASP 101 -2.692 -12.160 -8.876 793 HA ASP 101 HA ASP 101 -1.551 -14.431 -7.523 794 HB2 ASP 101 2HB ASP 101 -3.120 -13.625 -5.790 795 HB3 ASP 101 3HB ASP 101 -4.437 -13.687 -6.959 796 H ASN 102 H ASN 102 -2.505 -16.462 -8.344 797 HA ASN 102 HA ASN 102 -3.211 -17.817 -10.010 798 HB2 ASN 102 2HB ASN 102 -5.391 -16.689 -9.467 799 HB3 ASN 102 3HB ASN 102 -5.062 -15.532 -10.748 800 HD21 ASN 102 1HD2 ASN 102 -6.919 -16.129 -11.859 801 HD22 ASN 102 2HD2 ASN 102 -7.042 -17.626 -12.721 802 H TRP 103 H TRP 103 -3.737 -17.612 -12.572 803 HA TRP 103 HA TRP 103 -1.392 -16.293 -13.689 804 HB2 TRP 103 2HB TRP 103 -3.348 -18.175 -15.024 805 HB3 TRP 103 3HB TRP 103 -1.786 -17.662 -15.655 806 HD1 TRP 103 HD1 TRP 103 0.391 -18.451 -13.999 807 HE1 TRP 103 HE1 TRP 103 0.725 -20.727 -12.851 808 HE3 TRP 103 HE3 TRP 103 -4.449 -20.114 -14.063 809 HZ2 TRP 103 HZ2 TRP 103 -0.850 -22.928 -12.074 810 HZ3 TRP 103 HZ3 TRP 103 -4.942 -22.321 -13.094 811 HH2 TRP 103 HH2 TRP 103 -3.178 -23.694 -12.121 812 H GLY 104 H GLY 104 -4.041 -14.975 -12.859 813 HA2 GLY 104 2HA GLY 104 -4.085 -13.052 -14.933 814 HA3 GLY 104 3HA GLY 104 -5.457 -14.130 -15.105 815 H ASN 105 H ASN 105 -4.100 -13.122 -11.989 816 HA ASN 105 HA ASN 105 -6.425 -11.340 -11.661 817 HB2 ASN 105 2HB ASN 105 -5.317 -13.314 -9.675 818 HB3 ASN 105 3HB ASN 105 -6.253 -11.917 -9.160 819 HD21 ASN 105 1HD2 ASN 105 -6.852 -14.726 -8.878 820 HD22 ASN 105 2HD2 ASN 105 -8.366 -14.986 -9.678 821 H LEU 106 H LEU 106 -5.728 -9.340 -11.596 822 HA LEU 106 HA LEU 106 -3.467 -8.703 -9.851 823 HB2 LEU 106 2HB LEU 106 -2.554 -8.880 -12.126 824 HB3 LEU 106 3HB LEU 106 -3.741 -7.723 -12.695 825 HG LEU 106 HG LEU 106 -2.722 -6.012 -11.195 826 HD11 LEU 106 1HD1 LEU 106 -1.712 -7.503 -9.564 827 HD12 LEU 106 2HD1 LEU 106 -0.499 -6.441 -10.281 828 HD13 LEU 106 3HD1 LEU 106 -0.611 -8.125 -10.795 829 HD21 LEU 106 3HD2 LEU 106 -2.147 -6.128 -13.563 830 HD22 LEU 106 1HD2 LEU 106 -0.861 -7.281 -13.200 831 HD23 LEU 106 2HD2 LEU 106 -0.760 -5.628 -12.596 832 H GLN 107 H GLN 107 -3.862 -7.018 -8.605 833 HA GLN 107 HA GLN 107 -5.948 -5.109 -9.430 834 HB2 GLN 107 2HB GLN 107 -5.236 -6.092 -6.661 835 HB3 GLN 107 3HB GLN 107 -6.241 -4.677 -6.948 836 HG2 GLN 107 2HG GLN 107 -6.880 -7.443 -7.949 837 HG3 GLN 107 3HG GLN 107 -7.503 -6.753 -6.450 838 HE21 GLN 107 1HE2 GLN 107 -9.631 -6.862 -7.126 839 HE22 GLN 107 2HE2 GLN 107 -10.278 -5.807 -8.338 840 H GLN 108 H GLN 108 -5.076 -3.303 -10.032 841 HA GLN 108 HA GLN 108 -2.431 -2.538 -9.042 842 HB2 GLN 108 2HB GLN 108 -2.918 -2.791 -11.504 843 HB3 GLN 108 3HB GLN 108 -4.021 -1.438 -11.370 844 HG2 GLN 108 2HG GLN 108 -1.110 -1.214 -10.679 845 HG3 GLN 108 3HG GLN 108 -1.720 -0.981 -12.314 846 HE21 GLN 108 1HE2 GLN 108 -1.266 0.396 -9.233 847 HE22 GLN 108 2HE2 GLN 108 -2.010 1.927 -9.562 848 H LEU 109 H LEU 109 -2.552 -1.285 -7.267 849 HA LEU 109 HA LEU 109 -4.542 0.892 -7.277 850 HB2 LEU 109 2HB LEU 109 -3.538 -0.713 -4.926 851 HB3 LEU 109 3HB LEU 109 -4.518 0.733 -4.784 852 HG LEU 109 HG LEU 109 -5.372 -1.845 -6.103 853 HD11 LEU 109 1HD1 LEU 109 -6.896 -2.050 -4.213 854 HD12 LEU 109 2HD1 LEU 109 -6.227 -0.580 -3.505 855 HD13 LEU 109 3HD1 LEU 109 -5.218 -2.015 -3.673 856 HD21 LEU 109 3HD2 LEU 109 -6.916 0.697 -5.589 857 HD22 LEU 109 1HD2 LEU 109 -7.582 -0.802 -6.239 858 HD23 LEU 109 2HD2 LEU 109 -6.388 0.108 -7.164 859 H THR 110 H THR 110 -3.466 2.683 -7.741 860 HA THR 110 HA THR 110 -0.822 3.128 -6.587 861 HB THR 110 HB THR 110 -1.102 5.367 -7.904 862 HG1 THR 110 HG1 THR 110 -2.958 5.500 -8.877 863 HG21 THR 110 3HG2 THR 110 -0.782 2.741 -9.359 864 HG22 THR 110 1HG2 THR 110 0.492 3.611 -8.501 865 HG23 THR 110 2HG2 THR 110 -0.247 4.317 -9.940 866 H TYR 111 H TYR 111 -0.491 4.350 -4.866 867 HA TYR 111 HA TYR 111 -2.693 6.060 -3.943 868 HB2 TYR 111 2HB TYR 111 -0.445 4.722 -2.450 869 HB3 TYR 111 3HB TYR 111 -1.362 6.051 -1.746 870 HD1 TYR 111 HD2 TYR 111 -1.632 2.589 -3.043 871 HD2 TYR 111 HD1 TYR 111 -3.528 5.710 -0.860 872 HE1 TYR 111 HE2 TYR 111 -3.377 1.015 -2.313 873 HE2 TYR 111 HE1 TYR 111 -5.277 4.148 -0.131 874 HH TYR 111 HH TYR 111 -6.276 2.047 -0.831 875 H ASP 112 H ASP 112 -2.480 8.055 -4.549 876 HA ASP 112 HA ASP 112 0.122 9.116 -5.263 877 HB2 ASP 112 2HB ASP 112 -1.776 9.454 -6.782 878 HB3 ASP 112 3HB ASP 112 -2.647 10.314 -5.517 879 H PHE 113 H PHE 113 1.305 9.940 -3.703 880 HA PHE 113 HA PHE 113 -0.005 11.603 -1.659 881 HB2 PHE 113 2HB PHE 113 2.617 10.094 -1.560 882 HB3 PHE 113 3HB PHE 113 2.082 11.221 -0.318 883 HD1 PHE 113 HD1 PHE 113 -0.031 10.701 0.949 884 HD2 PHE 113 HD2 PHE 113 1.907 7.868 -1.566 885 HE1 PHE 113 HE1 PHE 113 -1.222 8.877 2.092 886 HE2 PHE 113 HE2 PHE 113 0.715 6.040 -0.430 887 HZ PHE 113 HZ PHE 113 -0.851 6.543 1.403 888 H ASN 114 H ASN 114 1.331 13.446 -0.918 889 HA ASN 114 HA ASN 114 2.856 14.590 -3.163 890 HB2 ASN 114 2HB ASN 114 1.509 16.090 -0.906 891 HB3 ASN 114 3HB ASN 114 2.270 16.787 -2.333 892 HD21 ASN 114 1HD2 ASN 114 -0.484 15.069 -1.100 893 HD22 ASN 114 2HD2 ASN 114 -1.504 15.301 -2.471 894 H GLY 115 H GLY 115 4.102 16.644 -1.778 895 HA2 GLY 115 2HA GLY 115 5.710 15.213 0.236 896 HA3 GLY 115 3HA GLY 115 6.468 16.178 -1.027 897 H LYS 116 H LYS 116 7.459 17.513 0.542 898 HA LYS 116 HA LYS 116 5.625 19.144 2.121 899 HB2 LYS 116 2HB LYS 116 7.815 20.023 3.144 900 HB3 LYS 116 3HB LYS 116 7.290 18.401 3.554 901 HG2 LYS 116 2HG LYS 116 8.864 17.639 1.665 902 HG3 LYS 116 3HG LYS 116 9.558 19.260 1.800 903 HD2 LYS 116 2HD LYS 116 9.928 18.872 4.208 904 HD3 LYS 116 3HD LYS 116 9.283 17.242 4.033 905 HE2 LYS 116 2HE LYS 116 11.658 17.080 4.028 906 HE3 LYS 116 3HE LYS 116 11.101 16.789 2.380 907 HZ1 LYS 116 3HZ LYS 116 11.811 18.884 1.691 908 HZ2 LYS 116 1HZ LYS 116 13.069 18.323 2.676 909 HZ3 LYS 116 2HZ LYS 116 11.975 19.469 3.280 910 H LEU 117 H LEU 117 5.686 21.407 2.072 911 HA LEU 117 HA LEU 117 5.656 22.242 -0.660 912 HB2 LEU 117 2HB LEU 117 3.930 22.811 1.066 913 HB3 LEU 117 3HB LEU 117 5.103 23.879 1.810 914 HG LEU 117 HG LEU 117 5.182 25.181 -0.321 915 HD11 LEU 117 1HD1 LEU 117 4.426 23.418 -1.830 916 HD12 LEU 117 2HD1 LEU 117 3.404 24.850 -1.953 917 HD13 LEU 117 3HD1 LEU 117 2.838 23.438 -1.061 918 HD21 LEU 117 3HD2 LEU 117 3.029 26.286 0.029 919 HD22 LEU 117 1HD2 LEU 117 3.816 25.907 1.563 920 HD23 LEU 117 2HD2 LEU 117 2.479 24.910 0.987 921 H GLU 118 H GLU 118 6.956 23.556 -1.736 922 HA GLU 118 HA GLU 118 8.642 24.942 -2.297 923 HB2 GLU 118 2HB GLU 118 7.605 26.484 -0.680 924 HB3 GLU 118 3HB GLU 118 8.587 25.788 0.602 925 HG2 GLU 118 2HG GLU 118 10.607 26.575 -0.475 926 HG3 GLU 118 3HG GLU 118 9.663 27.212 -1.820 927 H HIS 119 H HIS 119 10.189 23.570 -2.873 928 HA HIS 119 HA HIS 119 11.846 22.103 -1.106 929 HB2 HIS 119 2HB HIS 119 11.484 21.457 -3.461 930 HB3 HIS 119 3HB HIS 119 12.322 22.910 -3.988 931 HD1 HIS 119 HD1 HIS 119 12.947 19.563 -2.379 932 HD2 HIS 119 HD2 HIS 119 15.089 22.725 -4.030 933 HE1 HIS 119 HE1 HIS 119 15.315 18.744 -2.602 934 HE2 HIS 119 HE2 HIS 119 16.510 20.569 -3.859 935 H HIS 120 H HIS 120 13.268 22.969 0.250 936 HA HIS 120 HA HIS 120 14.599 25.479 -0.433 937 HB2 HIS 120 2HB HIS 120 14.366 23.881 2.111 938 HB3 HIS 120 3HB HIS 120 15.581 25.144 1.945 939 HD1 HIS 120 HD1 HIS 120 14.355 26.448 3.868 940 HD2 HIS 120 HD2 HIS 120 12.129 25.931 0.390 941 HE1 HIS 120 HE1 HIS 120 12.412 28.041 4.057 942 HE2 HIS 120 HE2 HIS 120 11.097 27.743 1.921 943 H HIS 121 H HIS 121 17.024 25.266 0.766 944 HA HIS 121 HA HIS 121 18.416 23.716 -1.218 945 HB2 HIS 121 2HB HIS 121 19.452 25.413 1.065 946 HB3 HIS 121 3HB HIS 121 20.467 24.660 -0.160 947 HD1 HIS 121 HD1 HIS 121 20.960 26.071 -2.146 948 HD2 HIS 121 HD2 HIS 121 17.542 27.326 -0.138 949 HE1 HIS 121 HE1 HIS 121 20.211 28.165 -3.321 950 HE2 HIS 121 HE2 HIS 121 18.033 28.789 -2.210 951 H HIS 122 H HIS 122 20.318 22.323 -0.529 952 HA HIS 122 HA HIS 122 19.236 20.320 1.246 953 HB2 HIS 122 2HB HIS 122 21.552 20.404 -0.644 954 HB3 HIS 122 3HB HIS 122 21.457 19.135 0.570 955 HD1 HIS 122 HD1 HIS 122 19.530 17.408 0.345 956 HD2 HIS 122 HD2 HIS 122 19.771 20.151 -2.772 957 HE1 HIS 122 HE1 HIS 122 18.104 16.464 -1.495 958 HE2 HIS 122 HE2 HIS 122 18.470 18.015 -3.448 959 H HIS 123 H HIS 123 19.455 20.618 3.318 960 HA HIS 123 HA HIS 123 22.089 20.252 4.393 961 HB2 HIS 123 2HB HIS 123 21.093 22.888 4.372 962 HB3 HIS 123 3HB HIS 123 20.857 22.305 6.018 963 HD1 HIS 123 HD1 HIS 123 23.037 21.540 7.321 964 HD2 HIS 123 HD2 HIS 123 23.710 23.393 3.656 965 HE1 HIS 123 HE1 HIS 123 25.474 22.156 7.307 966 HE2 HIS 123 HE2 HIS 123 25.903 22.995 4.968 967 H HIS 124 H HIS 124 19.728 18.775 4.069 968 HA HIS 124 HA HIS 124 18.913 18.338 6.854 969 HB2 HIS 124 2HB HIS 124 17.044 19.405 5.764 970 HB3 HIS 124 3HB HIS 124 17.169 18.328 4.380 971 HD1 HIS 124 HD1 HIS 124 16.114 18.336 8.006 972 HD2 HIS 124 HD2 HIS 124 15.801 15.952 4.614 973 HE1 HIS 124 HE1 HIS 124 14.450 16.544 8.589 974 HE2 HIS 124 HE2 HIS 124 14.128 15.238 6.452 Start of MODEL 11 1 H1 MET 1 1H MET 1 -7.948 3.541 -18.908 2 H2 MET 1 2H MET 1 -6.928 4.112 -20.139 3 H3 MET 1 3H MET 1 -7.720 2.625 -20.318 4 HA MET 1 HA MET 1 -9.012 5.287 -20.181 5 HB2 MET 1 2HB MET 1 -7.875 4.874 -22.316 6 HB3 MET 1 3HB MET 1 -8.715 3.339 -22.479 7 HG2 MET 1 2HG MET 1 -10.847 4.504 -22.620 8 HG3 MET 1 3HG MET 1 -10.022 6.051 -22.426 9 HE1 MET 1 3HE MET 1 -11.162 6.132 -26.172 10 HE2 MET 1 1HE MET 1 -11.154 7.004 -24.639 11 HE3 MET 1 2HE MET 1 -12.032 5.481 -24.781 12 H ASN 2 H ASN 2 -10.916 5.193 -19.268 13 HA ASN 2 HA ASN 2 -12.857 4.441 -18.382 14 HB2 ASN 2 2HB ASN 2 -13.482 4.039 -20.753 15 HB3 ASN 2 3HB ASN 2 -12.828 2.409 -20.630 16 HD21 ASN 2 1HD2 ASN 2 -13.938 0.863 -19.406 17 HD22 ASN 2 2HD2 ASN 2 -15.585 1.091 -18.927 18 H GLU 3 H GLU 3 -11.773 3.794 -16.524 19 HA GLU 3 HA GLU 3 -10.731 1.094 -16.367 20 HB2 GLU 3 2HB GLU 3 -10.865 3.129 -14.142 21 HB3 GLU 3 3HB GLU 3 -9.794 1.741 -14.273 22 HG2 GLU 3 2HG GLU 3 -9.723 4.193 -16.021 23 HG3 GLU 3 3HG GLU 3 -8.619 3.832 -14.696 24 H LEU 4 H LEU 4 -12.008 -0.518 -15.899 25 HA LEU 4 HA LEU 4 -13.500 -1.854 -14.856 26 HB2 LEU 4 2HB LEU 4 -13.939 0.467 -12.977 27 HB3 LEU 4 3HB LEU 4 -14.581 -1.149 -12.754 28 HG LEU 4 HG LEU 4 -11.650 -0.420 -12.789 29 HD11 LEU 4 1HD1 LEU 4 -11.737 -0.977 -10.399 30 HD12 LEU 4 2HD1 LEU 4 -13.486 -1.167 -10.521 31 HD13 LEU 4 3HD1 LEU 4 -12.748 0.410 -10.803 32 HD21 LEU 4 3HD2 LEU 4 -12.077 -2.676 -13.650 33 HD22 LEU 4 1HD2 LEU 4 -13.005 -3.052 -12.196 34 HD23 LEU 4 2HD2 LEU 4 -11.276 -2.722 -12.080 35 H ASP 5 H ASP 5 -15.712 -2.318 -14.846 36 HA ASP 5 HA ASP 5 -17.236 -0.540 -16.597 37 HB2 ASP 5 2HB ASP 5 -16.948 -2.915 -17.254 38 HB3 ASP 5 3HB ASP 5 -17.789 -3.404 -15.786 39 H ILE 6 H ILE 6 -17.812 -2.564 -13.715 40 HA ILE 6 HA ILE 6 -20.123 -0.854 -13.067 41 HB ILE 6 HB ILE 6 -19.504 -3.447 -11.669 42 HG12 ILE 6 2HG1 ILE 6 -21.050 -3.182 -14.259 43 HG13 ILE 6 3HG1 ILE 6 -19.433 -3.866 -14.129 44 HG21 ILE 6 1HG2 ILE 6 -21.963 -3.513 -11.448 45 HG22 ILE 6 2HG2 ILE 6 -22.064 -1.975 -12.305 46 HG23 ILE 6 3HG2 ILE 6 -21.264 -2.058 -10.736 47 HD11 ILE 6 3HD1 ILE 6 -20.330 -5.623 -12.666 48 HD12 ILE 6 1HD1 ILE 6 -21.071 -5.620 -14.266 49 HD13 ILE 6 2HD1 ILE 6 -21.947 -4.954 -12.887 50 H GLN 7 H GLN 7 -17.050 -0.624 -12.486 51 HA GLN 7 HA GLN 7 -15.686 0.150 -10.832 52 HB2 GLN 7 2HB GLN 7 -17.593 1.745 -10.456 53 HB3 GLN 7 3HB GLN 7 -18.227 0.630 -9.257 54 HG2 GLN 7 2HG GLN 7 -15.612 1.032 -8.464 55 HG3 GLN 7 3HG GLN 7 -16.139 2.619 -9.028 56 HE21 GLN 7 1HE2 GLN 7 -16.679 0.061 -6.747 57 HE22 GLN 7 2HE2 GLN 7 -17.660 0.971 -5.646 58 H GLN 8 H GLN 8 -16.757 -2.599 -11.035 59 HA GLN 8 HA GLN 8 -16.505 -4.617 -10.075 60 HB2 GLN 8 2HB GLN 8 -15.003 -3.104 -7.936 61 HB3 GLN 8 3HB GLN 8 -15.083 -4.858 -8.055 62 HG2 GLN 8 2HG GLN 8 -14.076 -4.668 -10.329 63 HG3 GLN 8 3HG GLN 8 -13.842 -2.951 -10.017 64 HE21 GLN 8 1HE2 GLN 8 -13.230 -3.378 -7.192 65 HE22 GLN 8 2HE2 GLN 8 -11.631 -4.032 -7.145 66 H GLU 9 H GLU 9 -18.594 -5.099 -9.719 67 HA GLU 9 HA GLU 9 -19.623 -4.530 -7.023 68 HB2 GLU 9 2HB GLU 9 -20.950 -3.406 -8.744 69 HB3 GLU 9 3HB GLU 9 -21.184 -4.932 -9.584 70 HG2 GLU 9 2HG GLU 9 -23.160 -4.288 -8.318 71 HG3 GLU 9 3HG GLU 9 -22.467 -5.792 -7.716 72 H TYR 10 H TYR 10 -18.932 -6.315 -6.004 73 HA TYR 10 HA TYR 10 -20.221 -8.837 -6.656 74 HB2 TYR 10 2HB TYR 10 -17.354 -8.308 -7.028 75 HB3 TYR 10 3HB TYR 10 -17.676 -9.690 -5.991 76 HD1 TYR 10 HD2 TYR 10 -18.772 -11.676 -6.867 77 HD2 TYR 10 HD1 TYR 10 -17.892 -8.372 -9.395 78 HE1 TYR 10 HE2 TYR 10 -19.105 -13.108 -8.836 79 HE2 TYR 10 HE1 TYR 10 -18.221 -9.793 -11.378 80 HH TYR 10 HH TYR 10 -18.163 -12.165 -11.979 81 HA PRO 11 HA PRO 11 -20.439 -9.364 -2.219 82 HB2 PRO 11 2HB PRO 11 -18.960 -11.932 -2.490 83 HB3 PRO 11 3HB PRO 11 -20.512 -11.600 -1.712 84 HG2 PRO 11 2HG PRO 11 -20.412 -12.821 -4.073 85 HG3 PRO 11 3HG PRO 11 -21.672 -11.625 -3.720 86 HD2 PRO 11 2HD PRO 11 -19.207 -11.347 -5.383 87 HD3 PRO 11 3HD PRO 11 -20.825 -10.660 -5.635 88 H PHE 12 H PHE 12 -17.311 -9.893 -3.769 89 HA PHE 12 HA PHE 12 -15.877 -9.581 -1.303 90 HB2 PHE 12 2HB PHE 12 -13.830 -9.538 -2.665 91 HB3 PHE 12 3HB PHE 12 -14.838 -10.925 -3.033 92 HD1 PHE 12 HD1 PHE 12 -13.958 -7.526 -4.251 93 HD2 PHE 12 HD2 PHE 12 -15.384 -11.414 -5.219 94 HE1 PHE 12 HE1 PHE 12 -13.782 -6.989 -6.644 95 HE2 PHE 12 HE2 PHE 12 -15.223 -10.882 -7.615 96 HZ PHE 12 HZ PHE 12 -14.418 -8.668 -8.331 97 H THR 13 H THR 13 -14.762 -7.810 -0.569 98 HA THR 13 HA THR 13 -15.331 -5.267 -1.936 99 HB THR 13 HB THR 13 -15.681 -5.656 1.041 100 HG1 THR 13 HG1 THR 13 -17.333 -6.333 -0.994 101 HG21 THR 13 3HG2 THR 13 -15.157 -3.366 0.318 102 HG22 THR 13 1HG2 THR 13 -16.805 -3.488 0.935 103 HG23 THR 13 2HG2 THR 13 -16.516 -3.411 -0.803 104 H VAL 14 H VAL 14 -13.595 -3.991 -2.057 105 HA VAL 14 HA VAL 14 -11.284 -4.599 -0.347 106 HB VAL 14 HB VAL 14 -11.367 -2.989 -2.908 107 HG11 VAL 14 1HG1 VAL 14 -9.550 -2.321 -1.419 108 HG12 VAL 14 2HG1 VAL 14 -8.930 -3.145 -2.848 109 HG13 VAL 14 3HG1 VAL 14 -9.017 -4.000 -1.308 110 HG21 VAL 14 3HG2 VAL 14 -10.449 -5.822 -2.426 111 HG22 VAL 14 1HG2 VAL 14 -10.239 -4.923 -3.927 112 HG23 VAL 14 2HG2 VAL 14 -11.860 -5.319 -3.359 113 H GLU 15 H GLU 15 -11.135 -3.339 1.386 114 HA GLU 15 HA GLU 15 -11.913 -0.509 1.124 115 HB2 GLU 15 2HB GLU 15 -12.551 -2.501 3.244 116 HB3 GLU 15 3HB GLU 15 -12.275 -0.834 3.732 117 HG2 GLU 15 2HG GLU 15 -14.261 -1.683 1.641 118 HG3 GLU 15 3HG GLU 15 -14.650 -1.389 3.335 119 H SER 16 H SER 16 -10.774 0.989 2.395 120 HA SER 16 HA SER 16 -8.372 0.094 3.765 121 HB2 SER 16 2HB SER 16 -6.989 1.792 2.531 122 HB3 SER 16 3HB SER 16 -7.516 0.442 1.524 123 HG SER 16 HG SER 16 -9.241 2.602 1.597 124 H MET 17 H MET 17 -7.680 1.554 5.339 125 HA MET 17 HA MET 17 -9.603 3.434 6.266 126 HB2 MET 17 2HB MET 17 -6.736 2.933 7.078 127 HB3 MET 17 3HB MET 17 -7.776 4.104 7.878 128 HG2 MET 17 2HG MET 17 -8.320 1.152 7.666 129 HG3 MET 17 3HG MET 17 -7.657 1.973 9.077 130 HE1 MET 17 3HE MET 17 -11.374 0.930 10.023 131 HE2 MET 17 1HE MET 17 -9.671 0.696 10.412 132 HE3 MET 17 2HE MET 17 -10.321 0.072 8.897 133 HA PRO 18 HA PRO 18 -8.744 6.750 3.509 134 HB2 PRO 18 2HB PRO 18 -9.720 8.415 5.768 135 HB3 PRO 18 3HB PRO 18 -10.271 8.356 4.091 136 HG2 PRO 18 2HG PRO 18 -11.718 7.241 6.019 137 HG3 PRO 18 3HG PRO 18 -11.555 6.453 4.437 138 HD2 PRO 18 2HD PRO 18 -10.200 5.809 7.026 139 HD3 PRO 18 3HD PRO 18 -10.837 4.713 5.782 140 H VAL 19 H VAL 19 -6.674 7.210 3.218 141 HA VAL 19 HA VAL 19 -5.204 8.552 5.382 142 HB VAL 19 HB VAL 19 -3.144 8.018 4.057 143 HG11 VAL 19 1HG1 VAL 19 -4.843 5.683 4.924 144 HG12 VAL 19 2HG1 VAL 19 -3.780 6.648 5.948 145 HG13 VAL 19 3HG1 VAL 19 -3.097 5.637 4.676 146 HG21 VAL 19 3HG2 VAL 19 -3.259 6.337 2.298 147 HG22 VAL 19 1HG2 VAL 19 -4.228 7.748 1.864 148 HG23 VAL 19 2HG2 VAL 19 -5.016 6.279 2.444 149 H ALA 20 H ALA 20 -4.146 10.484 4.987 150 HA ALA 20 HA ALA 20 -5.335 12.127 2.942 151 HB1 ALA 20 3HB ALA 20 -4.966 13.036 5.171 152 HB2 ALA 20 1HB ALA 20 -4.047 13.945 3.973 153 HB3 ALA 20 2HB ALA 20 -3.229 12.772 5.006 154 H ASP 21 H ASP 21 -4.542 12.397 0.965 155 HA ASP 21 HA ASP 21 -1.998 11.313 0.218 156 HB2 ASP 21 2HB ASP 21 -2.522 12.055 -2.030 157 HB3 ASP 21 3HB ASP 21 -3.950 11.317 -1.318 158 H GLU 22 H GLU 22 -3.222 14.423 1.099 159 HA GLU 22 HA GLU 22 -0.831 15.845 0.341 160 HB2 GLU 22 2HB GLU 22 -3.113 16.884 0.419 161 HB3 GLU 22 3HB GLU 22 -3.097 16.698 2.164 162 HG2 GLU 22 2HG GLU 22 -0.897 18.205 0.840 163 HG3 GLU 22 3HG GLU 22 -2.471 18.968 1.046 164 H ILE 23 H ILE 23 0.967 15.239 1.378 165 HA ILE 23 HA ILE 23 0.933 15.049 4.307 166 HB ILE 23 HB ILE 23 0.565 12.772 3.492 167 HG12 ILE 23 2HG1 ILE 23 3.375 13.192 4.536 168 HG13 ILE 23 3HG1 ILE 23 1.916 13.021 5.508 169 HG21 ILE 23 1HG2 ILE 23 2.223 11.625 2.103 170 HG22 ILE 23 2HG2 ILE 23 3.132 13.129 1.955 171 HG23 ILE 23 3HG2 ILE 23 1.514 13.007 1.266 172 HD11 ILE 23 3HD1 ILE 23 3.210 10.971 5.491 173 HD12 ILE 23 1HD1 ILE 23 3.115 10.911 3.731 174 HD13 ILE 23 2HD1 ILE 23 1.652 10.733 4.699 175 H ALA 24 H ALA 24 3.034 15.282 5.271 176 HA ALA 24 HA ALA 24 4.794 16.999 3.807 177 HB1 ALA 24 3HB ALA 24 6.111 17.072 5.850 178 HB2 ALA 24 1HB ALA 24 5.165 15.745 6.524 179 HB3 ALA 24 2HB ALA 24 4.399 17.302 6.206 180 H GLY 25 H GLY 25 7.218 16.551 3.835 181 HA2 GLY 25 2HA GLY 25 7.584 14.041 2.426 182 HA3 GLY 25 3HA GLY 25 8.754 15.349 2.554 183 H ASP 26 H ASP 26 7.650 14.779 5.596 184 HA ASP 26 HA ASP 26 9.608 12.654 6.162 185 HB2 ASP 26 2HB ASP 26 10.498 13.862 8.030 186 HB3 ASP 26 3HB ASP 26 10.523 14.960 6.656 187 H GLU 27 H GLU 27 6.537 13.114 6.049 188 HA GLU 27 HA GLU 27 5.862 12.449 8.820 189 HB2 GLU 27 2HB GLU 27 4.729 14.354 7.579 190 HB3 GLU 27 3HB GLU 27 3.956 13.132 6.584 191 HG2 GLU 27 2HG GLU 27 2.736 12.277 8.409 192 HG3 GLU 27 3HG GLU 27 3.709 13.177 9.573 193 H THR 28 H THR 28 4.463 10.676 9.284 194 HA THR 28 HA THR 28 4.627 8.516 7.277 195 HB THR 28 HB THR 28 4.691 8.279 10.294 196 HG1 THR 28 HG1 THR 28 6.611 9.148 9.126 197 HG21 THR 28 3HG2 THR 28 5.083 6.176 8.157 198 HG22 THR 28 1HG2 THR 28 3.684 6.318 9.222 199 HG23 THR 28 2HG2 THR 28 5.269 5.929 9.893 200 H VAL 29 H VAL 29 2.805 7.377 6.822 201 HA VAL 29 HA VAL 29 0.410 7.930 8.445 202 HB VAL 29 HB VAL 29 -0.945 7.606 6.362 203 HG11 VAL 29 1HG1 VAL 29 -0.531 9.826 7.259 204 HG12 VAL 29 2HG1 VAL 29 -0.559 9.862 5.496 205 HG13 VAL 29 3HG1 VAL 29 0.982 9.925 6.355 206 HG21 VAL 29 3HG2 VAL 29 0.695 6.443 4.997 207 HG22 VAL 29 1HG2 VAL 29 1.738 7.864 5.001 208 HG23 VAL 29 2HG2 VAL 29 0.172 7.922 4.193 209 H GLU 30 H GLU 30 -1.020 6.235 8.791 210 HA GLU 30 HA GLU 30 0.098 3.564 8.356 211 HB2 GLU 30 2HB GLU 30 -2.250 4.433 10.050 212 HB3 GLU 30 3HB GLU 30 -1.587 2.810 9.975 213 HG2 GLU 30 2HG GLU 30 0.528 3.659 10.903 214 HG3 GLU 30 3HG GLU 30 -0.205 5.259 11.043 215 H ILE 31 H ILE 31 -0.542 2.561 6.567 216 HA ILE 31 HA ILE 31 -3.216 3.126 5.493 217 HB ILE 31 HB ILE 31 -0.923 1.657 4.172 218 HG12 ILE 31 2HG1 ILE 31 -1.906 4.488 3.738 219 HG13 ILE 31 3HG1 ILE 31 -0.431 4.055 4.593 220 HG21 ILE 31 1HG2 ILE 31 -2.234 1.959 2.117 221 HG22 ILE 31 2HG2 ILE 31 -3.536 2.682 3.063 222 HG23 ILE 31 3HG2 ILE 31 -3.096 0.991 3.313 223 HD11 ILE 31 3HD1 ILE 31 0.462 3.078 2.540 224 HD12 ILE 31 1HD1 ILE 31 0.045 4.779 2.330 225 HD13 ILE 31 2HD1 ILE 31 -1.016 3.523 1.687 226 H ARG 32 H ARG 32 -4.596 1.828 6.603 227 HA ARG 32 HA ARG 32 -3.938 -0.993 6.944 228 HB2 ARG 32 2HB ARG 32 -4.880 0.027 8.892 229 HB3 ARG 32 3HB ARG 32 -6.208 0.716 7.966 230 HG2 ARG 32 2HG ARG 32 -7.147 -1.475 7.602 231 HG3 ARG 32 3HG ARG 32 -5.766 -2.229 8.402 232 HD2 ARG 32 2HD ARG 32 -6.401 -1.447 10.504 233 HD3 ARG 32 3HD ARG 32 -7.458 -0.208 9.827 234 HE ARG 32 HE ARG 32 -8.876 -2.160 9.055 235 HH11 ARG 32 1HH1 ARG 32 -6.862 -2.358 11.942 236 HH12 ARG 32 2HH1 ARG 32 -7.897 -3.517 12.720 237 HH21 ARG 32 1HH2 ARG 32 -10.187 -3.701 10.056 238 HH22 ARG 32 2HH2 ARG 32 -9.779 -4.293 11.643 239 H LEU 33 H LEU 33 -4.415 -2.356 5.406 240 HA LEU 33 HA LEU 33 -6.546 -1.680 3.497 241 HB2 LEU 33 2HB LEU 33 -4.116 -1.966 2.757 242 HB3 LEU 33 3HB LEU 33 -4.301 -3.666 3.124 243 HG LEU 33 HG LEU 33 -4.516 -3.011 0.693 244 HD11 LEU 33 1HD1 LEU 33 -6.384 -4.523 0.256 245 HD12 LEU 33 2HD1 LEU 33 -6.843 -4.445 1.956 246 HD13 LEU 33 3HD1 LEU 33 -5.300 -5.161 1.491 247 HD21 LEU 33 3HD2 LEU 33 -6.645 -2.099 -0.052 248 HD22 LEU 33 1HD2 LEU 33 -5.816 -0.968 1.019 249 HD23 LEU 33 2HD2 LEU 33 -7.170 -1.924 1.623 250 H GLU 34 H GLU 34 -8.292 -2.967 3.347 251 HA GLU 34 HA GLU 34 -8.226 -5.624 4.607 252 HB2 GLU 34 2HB GLU 34 -10.336 -3.502 5.018 253 HB3 GLU 34 3HB GLU 34 -10.504 -5.178 5.520 254 HG2 GLU 34 2HG GLU 34 -8.644 -4.941 7.036 255 HG3 GLU 34 3HG GLU 34 -8.385 -3.282 6.496 256 H ILE 35 H ILE 35 -8.700 -7.038 3.027 257 HA ILE 35 HA ILE 35 -10.840 -6.283 1.147 258 HB ILE 35 HB ILE 35 -8.729 -8.417 0.759 259 HG12 ILE 35 2HG1 ILE 35 -9.004 -5.701 -0.552 260 HG13 ILE 35 3HG1 ILE 35 -7.804 -6.121 0.665 261 HG21 ILE 35 1HG2 ILE 35 -10.840 -8.923 -0.361 262 HG22 ILE 35 2HG2 ILE 35 -9.584 -8.526 -1.533 263 HG23 ILE 35 3HG2 ILE 35 -10.819 -7.335 -1.130 264 HD11 ILE 35 3HD1 ILE 35 -6.844 -7.768 -0.865 265 HD12 ILE 35 1HD1 ILE 35 -6.839 -6.144 -1.555 266 HD13 ILE 35 2HD1 ILE 35 -8.038 -7.324 -2.084 267 H LYS 36 H LYS 36 -12.697 -7.343 1.274 268 HA LYS 36 HA LYS 36 -12.850 -9.776 2.907 269 HB2 LYS 36 2HB LYS 36 -14.502 -8.246 3.600 270 HB3 LYS 36 3HB LYS 36 -14.891 -7.778 1.951 271 HG2 LYS 36 2HG LYS 36 -15.958 -9.923 1.566 272 HG3 LYS 36 3HG LYS 36 -15.511 -10.452 3.189 273 HD2 LYS 36 2HD LYS 36 -16.991 -8.962 4.209 274 HD3 LYS 36 3HD LYS 36 -17.143 -7.976 2.754 275 HE2 LYS 36 2HE LYS 36 -19.141 -9.375 3.257 276 HE3 LYS 36 3HE LYS 36 -18.442 -9.658 1.667 277 HZ1 LYS 36 3HZ LYS 36 -17.630 -11.711 2.291 278 HZ2 LYS 36 1HZ LYS 36 -19.118 -11.660 3.099 279 HZ3 LYS 36 2HZ LYS 36 -17.680 -11.366 3.951 280 HA PRO 37 HA PRO 37 -13.114 -11.747 -1.157 281 HB2 PRO 37 2HB PRO 37 -11.948 -14.057 -0.470 282 HB3 PRO 37 3HB PRO 37 -11.003 -12.587 -0.728 283 HG2 PRO 37 2HG PRO 37 -11.796 -13.904 1.821 284 HG3 PRO 37 3HG PRO 37 -10.306 -13.033 1.421 285 HD2 PRO 37 2HD PRO 37 -12.495 -12.002 2.835 286 HD3 PRO 37 3HD PRO 37 -11.179 -11.055 2.115 287 H SER 38 H SER 38 -14.963 -12.642 -1.804 288 HA SER 38 HA SER 38 -16.103 -14.885 -0.379 289 HB2 SER 38 2HB SER 38 -17.739 -12.362 -0.780 290 HB3 SER 38 3HB SER 38 -18.305 -13.874 -0.065 291 HG SER 38 HG SER 38 -16.141 -13.168 1.265 292 H GLY 39 H GLY 39 -16.198 -16.262 -2.045 293 HA2 GLY 39 2HA GLY 39 -18.016 -16.533 -3.905 294 HA3 GLY 39 3HA GLY 39 -17.056 -15.278 -4.668 295 H ASN 40 H ASN 40 -16.668 -16.712 -6.396 296 HA ASN 40 HA ASN 40 -15.424 -19.236 -6.140 297 HB2 ASN 40 2HB ASN 40 -16.633 -18.513 -8.159 298 HB3 ASN 40 3HB ASN 40 -15.403 -17.291 -8.460 299 HD21 ASN 40 1HD2 ASN 40 -14.950 -18.141 -10.463 300 HD22 ASN 40 2HD2 ASN 40 -14.066 -19.620 -10.660 301 H PHE 41 H PHE 41 -13.273 -19.849 -6.231 302 HA PHE 41 HA PHE 41 -11.435 -17.679 -5.483 303 HB2 PHE 41 2HB PHE 41 -10.254 -19.421 -4.130 304 HB3 PHE 41 3HB PHE 41 -11.895 -19.082 -3.598 305 HD1 PHE 41 HD2 PHE 41 -13.669 -20.724 -3.906 306 HD2 PHE 41 HD1 PHE 41 -9.654 -21.566 -5.048 307 HE1 PHE 41 HE2 PHE 41 -14.208 -23.121 -4.031 308 HE2 PHE 41 HE1 PHE 41 -10.190 -23.964 -5.179 309 HZ PHE 41 HZ PHE 41 -12.467 -24.747 -4.668 310 H ILE 42 H ILE 42 -11.837 -18.801 -8.238 311 HA ILE 42 HA ILE 42 -9.459 -20.333 -8.775 312 HB ILE 42 HB ILE 42 -11.294 -18.940 -10.733 313 HG12 ILE 42 2HG1 ILE 42 -11.185 -21.834 -9.847 314 HG13 ILE 42 3HG1 ILE 42 -12.430 -20.674 -9.398 315 HG21 ILE 42 1HG2 ILE 42 -10.284 -20.426 -12.407 316 HG22 ILE 42 2HG2 ILE 42 -9.175 -21.044 -11.184 317 HG23 ILE 42 3HG2 ILE 42 -9.086 -19.355 -11.681 318 HD11 ILE 42 3HD1 ILE 42 -13.227 -22.123 -11.151 319 HD12 ILE 42 1HD1 ILE 42 -11.853 -21.694 -12.169 320 HD13 ILE 42 2HD1 ILE 42 -13.064 -20.477 -11.764 321 H GLY 43 H GLY 43 -7.751 -19.106 -8.022 322 HA2 GLY 43 2HA GLY 43 -6.020 -17.827 -9.414 323 HA3 GLY 43 3HA GLY 43 -7.232 -16.554 -9.401 324 H THR 44 H THR 44 -5.177 -18.538 -7.292 325 HA THR 44 HA THR 44 -5.640 -16.609 -5.135 326 HB THR 44 HB THR 44 -4.549 -18.373 -3.681 327 HG1 THR 44 HG1 THR 44 -4.111 -20.326 -4.526 328 HG21 THR 44 3HG2 THR 44 -6.968 -18.054 -3.736 329 HG22 THR 44 1HG2 THR 44 -6.566 -19.764 -3.579 330 HG23 THR 44 2HG2 THR 44 -7.086 -19.120 -5.136 331 H VAL 45 H VAL 45 -2.857 -18.619 -4.986 332 HA VAL 45 HA VAL 45 -0.643 -18.212 -4.823 333 HB VAL 45 HB VAL 45 -1.177 -15.775 -6.525 334 HG11 VAL 45 1HG1 VAL 45 1.425 -17.142 -5.826 335 HG12 VAL 45 2HG1 VAL 45 0.909 -15.544 -5.286 336 HG13 VAL 45 3HG1 VAL 45 1.237 -15.833 -6.994 337 HG21 VAL 45 3HG2 VAL 45 -0.166 -18.518 -7.268 338 HG22 VAL 45 1HG2 VAL 45 -0.341 -17.146 -8.363 339 HG23 VAL 45 2HG2 VAL 45 -1.768 -17.874 -7.625 340 H TYR 46 H TYR 46 -2.337 -15.100 -4.584 341 HA TYR 46 HA TYR 46 -2.387 -13.484 -3.003 342 HB2 TYR 46 2HB TYR 46 -1.144 -15.532 -1.155 343 HB3 TYR 46 3HB TYR 46 -1.881 -14.012 -0.669 344 HD1 TYR 46 HD2 TYR 46 -4.316 -14.083 -2.433 345 HD2 TYR 46 HD1 TYR 46 -2.488 -17.099 -0.050 346 HE1 TYR 46 HE2 TYR 46 -6.486 -15.213 -2.206 347 HE2 TYR 46 HE1 TYR 46 -4.656 -18.234 0.184 348 HH TYR 46 HH TYR 46 -7.073 -17.608 0.076 349 H THR 47 H THR 47 -0.803 -12.432 -4.358 350 HA THR 47 HA THR 47 1.752 -12.141 -2.928 351 HB THR 47 HB THR 47 2.755 -11.711 -5.290 352 HG1 THR 47 HG1 THR 47 0.279 -12.580 -5.906 353 HG21 THR 47 3HG2 THR 47 3.384 -14.077 -5.480 354 HG22 THR 47 1HG2 THR 47 2.108 -14.504 -4.340 355 HG23 THR 47 2HG2 THR 47 3.470 -13.515 -3.810 356 H LEU 48 H LEU 48 2.343 -10.118 -2.556 357 HA LEU 48 HA LEU 48 0.941 -7.989 -4.027 358 HB2 LEU 48 2HB LEU 48 0.173 -8.018 -1.746 359 HB3 LEU 48 3HB LEU 48 1.815 -8.102 -1.141 360 HG LEU 48 HG LEU 48 2.245 -5.824 -1.818 361 HD11 LEU 48 1HD1 LEU 48 0.925 -5.769 -3.868 362 HD12 LEU 48 2HD1 LEU 48 0.490 -4.428 -2.808 363 HD13 LEU 48 3HD1 LEU 48 -0.563 -5.838 -2.924 364 HD21 LEU 48 3HD2 LEU 48 -0.395 -6.084 -0.383 365 HD22 LEU 48 1HD2 LEU 48 0.650 -4.664 -0.371 366 HD23 LEU 48 2HD2 LEU 48 1.205 -6.171 0.354 367 H ARG 49 H ARG 49 2.222 -6.863 -5.290 368 HA ARG 49 HA ARG 49 5.090 -6.765 -4.650 369 HB2 ARG 49 2HB ARG 49 4.514 -7.719 -6.865 370 HB3 ARG 49 3HB ARG 49 3.721 -6.209 -7.295 371 HG2 ARG 49 2HG ARG 49 5.858 -5.029 -7.060 372 HG3 ARG 49 3HG ARG 49 6.648 -6.556 -6.671 373 HD2 ARG 49 2HD ARG 49 5.247 -5.892 -9.255 374 HD3 ARG 49 3HD ARG 49 6.990 -5.936 -9.005 375 HE ARG 49 HE ARG 49 5.186 -8.274 -8.981 376 HH11 ARG 49 1HH1 ARG 49 8.433 -6.936 -9.054 377 HH12 ARG 49 2HH1 ARG 49 9.158 -8.407 -9.630 378 HH21 ARG 49 1HH2 ARG 49 6.140 -10.192 -9.771 379 HH22 ARG 49 2HH2 ARG 49 7.850 -10.238 -10.088 380 H TYR 50 H TYR 50 6.030 -4.888 -4.206 381 HA TYR 50 HA TYR 50 4.337 -2.483 -4.208 382 HB2 TYR 50 2HB TYR 50 6.951 -2.876 -2.735 383 HB3 TYR 50 3HB TYR 50 5.728 -1.643 -2.448 384 HD1 TYR 50 HD2 TYR 50 6.649 -5.153 -1.926 385 HD2 TYR 50 HD1 TYR 50 3.718 -2.159 -1.189 386 HE1 TYR 50 HE2 TYR 50 5.625 -6.587 -0.213 387 HE2 TYR 50 HE1 TYR 50 2.689 -3.585 0.530 388 HH TYR 50 HH TYR 50 2.571 -5.973 1.123 389 H PHE 51 H PHE 51 4.824 -0.905 -5.651 390 HA PHE 51 HA PHE 51 7.588 -0.734 -6.593 391 HB2 PHE 51 2HB PHE 51 6.195 -2.090 -8.203 392 HB3 PHE 51 3HB PHE 51 5.235 -0.641 -8.487 393 HD1 PHE 51 HD1 PHE 51 8.785 -1.774 -8.507 394 HD2 PHE 51 HD2 PHE 51 5.811 0.731 -10.238 395 HE1 PHE 51 HE1 PHE 51 10.394 -1.060 -10.228 396 HE2 PHE 51 HE2 PHE 51 7.413 1.452 -11.957 397 HZ PHE 51 HZ PHE 51 9.710 0.556 -11.954 398 H GLN 52 H GLN 52 8.316 1.293 -6.855 399 HA GLN 52 HA GLN 52 6.352 3.468 -6.814 400 HB2 GLN 52 2HB GLN 52 7.163 3.383 -4.574 401 HB3 GLN 52 3HB GLN 52 8.828 3.218 -5.112 402 HG2 GLN 52 2HG GLN 52 8.950 5.463 -5.790 403 HG3 GLN 52 3HG GLN 52 7.199 5.660 -5.730 404 HE21 GLN 52 1HE2 GLN 52 6.203 6.043 -3.811 405 HE22 GLN 52 2HE2 GLN 52 7.059 6.422 -2.351 406 HA PRO 53 HA PRO 53 9.173 4.508 -10.184 407 HB2 PRO 53 2HB PRO 53 7.306 5.015 -12.017 408 HB3 PRO 53 3HB PRO 53 7.706 3.353 -11.569 409 HG2 PRO 53 2HG PRO 53 5.335 4.991 -10.838 410 HG3 PRO 53 3HG PRO 53 5.461 3.243 -11.092 411 HD2 PRO 53 2HD PRO 53 5.481 4.618 -8.615 412 HD3 PRO 53 3HD PRO 53 5.817 2.897 -8.884 413 H ASP 54 H ASP 54 7.127 6.196 -8.202 414 HA ASP 54 HA ASP 54 7.792 8.770 -9.421 415 HB2 ASP 54 2HB ASP 54 5.516 8.047 -10.194 416 HB3 ASP 54 3HB ASP 54 4.999 8.044 -8.514 417 H GLY 55 H GLY 55 8.820 9.886 -7.908 418 HA2 GLY 55 2HA GLY 55 9.027 10.996 -5.856 419 HA3 GLY 55 3HA GLY 55 7.748 9.984 -5.200 420 H LYS 56 H LYS 56 9.185 9.822 -3.339 421 HA LYS 56 HA LYS 56 10.841 7.457 -3.517 422 HB2 LYS 56 2HB LYS 56 12.422 9.261 -4.094 423 HB3 LYS 56 3HB LYS 56 11.998 10.108 -2.613 424 HG2 LYS 56 2HG LYS 56 12.928 8.297 -1.289 425 HG3 LYS 56 3HG LYS 56 13.308 7.401 -2.760 426 HD2 LYS 56 2HD LYS 56 14.882 9.074 -3.448 427 HD3 LYS 56 3HD LYS 56 14.401 10.135 -2.123 428 HE2 LYS 56 2HE LYS 56 15.664 7.420 -1.789 429 HE3 LYS 56 3HE LYS 56 16.533 8.951 -1.695 430 HZ1 LYS 56 3HZ LYS 56 15.877 8.028 0.494 431 HZ2 LYS 56 1HZ LYS 56 14.255 8.231 0.062 432 HZ3 LYS 56 2HZ LYS 56 15.263 9.583 0.209 433 H GLY 57 H GLY 57 11.122 6.457 -1.464 434 HA2 GLY 57 2HA GLY 57 10.568 7.495 1.027 435 HA3 GLY 57 3HA GLY 57 9.005 7.033 0.368 436 H SER 58 H SER 58 9.318 5.667 2.465 437 HA SER 58 HA SER 58 10.132 3.025 1.511 438 HB2 SER 58 2HB SER 58 10.972 4.163 4.187 439 HB3 SER 58 3HB SER 58 11.248 2.508 3.648 440 HG SER 58 HG SER 58 12.134 4.239 1.788 441 H LEU 59 H LEU 59 8.454 1.742 1.674 442 HA LEU 59 HA LEU 59 6.398 2.212 3.698 443 HB2 LEU 59 2HB LEU 59 5.732 1.868 1.338 444 HB3 LEU 59 3HB LEU 59 6.483 0.285 1.366 445 HG LEU 59 HG LEU 59 4.847 -0.427 3.091 446 HD11 LEU 59 1HD1 LEU 59 3.567 2.241 2.525 447 HD12 LEU 59 2HD1 LEU 59 4.355 1.777 4.031 448 HD13 LEU 59 3HD1 LEU 59 2.885 0.952 3.514 449 HD21 LEU 59 3HD2 LEU 59 3.675 0.657 0.536 450 HD22 LEU 59 1HD2 LEU 59 2.928 -0.556 1.571 451 HD23 LEU 59 2HD2 LEU 59 4.446 -0.915 0.749 452 H LYS 60 H LYS 60 6.102 0.854 5.421 453 HA LYS 60 HA LYS 60 7.724 -1.603 5.484 454 HB2 LYS 60 2HB LYS 60 7.356 0.291 7.806 455 HB3 LYS 60 3HB LYS 60 8.290 -1.197 7.814 456 HG2 LYS 60 2HG LYS 60 9.795 -0.200 6.118 457 HG3 LYS 60 3HG LYS 60 8.901 1.315 6.271 458 HD2 LYS 60 2HD LYS 60 10.460 -0.108 8.431 459 HD3 LYS 60 3HD LYS 60 10.872 1.425 7.659 460 HE2 LYS 60 2HE LYS 60 8.970 2.502 8.642 461 HE3 LYS 60 3HE LYS 60 8.354 0.965 9.250 462 HZ1 LYS 60 3HZ LYS 60 10.428 0.817 10.600 463 HZ2 LYS 60 1HZ LYS 60 9.390 2.086 11.041 464 HZ3 LYS 60 2HZ LYS 60 10.789 2.410 10.139 465 H MET 61 H MET 61 7.037 -3.115 7.197 466 HA MET 61 HA MET 61 4.130 -3.299 7.307 467 HB2 MET 61 2HB MET 61 6.236 -5.256 8.264 468 HB3 MET 61 3HB MET 61 4.514 -5.576 8.112 469 HG2 MET 61 2HG MET 61 4.650 -5.310 5.707 470 HG3 MET 61 3HG MET 61 6.359 -4.906 5.831 471 HE1 MET 61 3HE MET 61 4.141 -7.683 7.581 472 HE2 MET 61 1HE MET 61 4.533 -9.074 6.571 473 HE3 MET 61 2HE MET 61 3.660 -7.705 5.884 474 H GLU 62 H GLU 62 3.284 -4.245 9.497 475 HA GLU 62 HA GLU 62 3.488 -2.221 11.407 476 HB2 GLU 62 2HB GLU 62 2.473 -5.051 11.674 477 HB3 GLU 62 3HB GLU 62 2.303 -3.834 12.930 478 HG2 GLU 62 2HG GLU 62 1.052 -2.432 11.295 479 HG3 GLU 62 3HG GLU 62 1.100 -3.796 10.177 480 H ASP 63 H ASP 63 5.088 -5.360 11.252 481 HA ASP 63 HA ASP 63 6.295 -5.150 13.826 482 HB2 ASP 63 2HB ASP 63 7.645 -7.094 13.114 483 HB3 ASP 63 3HB ASP 63 5.927 -7.334 12.806 484 H GLY 64 H GLY 64 7.128 -3.972 10.678 485 HA2 GLY 64 2HA GLY 64 8.672 -2.024 10.858 486 HA3 GLY 64 3HA GLY 64 9.722 -3.089 11.774 487 H THR 65 H THR 65 8.704 -5.195 9.632 488 HA THR 65 HA THR 65 11.028 -5.242 8.114 489 HB THR 65 HB THR 65 8.325 -6.405 7.423 490 HG1 THR 65 HG1 THR 65 9.017 -7.321 9.306 491 HG21 THR 65 3HG2 THR 65 9.766 -6.307 5.446 492 HG22 THR 65 1HG2 THR 65 9.575 -7.969 6.003 493 HG23 THR 65 2HG2 THR 65 11.066 -7.091 6.343 494 H VAL 66 H VAL 66 11.739 -4.174 6.418 495 HA VAL 66 HA VAL 66 10.163 -2.036 5.308 496 HB VAL 66 HB VAL 66 12.962 -2.894 4.561 497 HG11 VAL 66 1HG1 VAL 66 13.193 -0.573 3.775 498 HG12 VAL 66 2HG1 VAL 66 11.491 -0.294 4.145 499 HG13 VAL 66 3HG1 VAL 66 11.944 -1.455 2.896 500 HG21 VAL 66 3HG2 VAL 66 13.744 -1.158 6.091 501 HG22 VAL 66 1HG2 VAL 66 12.831 -2.399 6.947 502 HG23 VAL 66 2HG2 VAL 66 12.082 -0.842 6.589 503 H LEU 67 H LEU 67 9.306 -1.907 3.309 504 HA LEU 67 HA LEU 67 9.378 -4.347 1.675 505 HB2 LEU 67 2HB LEU 67 7.407 -2.060 1.592 506 HB3 LEU 67 3HB LEU 67 7.256 -3.608 0.779 507 HG LEU 67 HG LEU 67 7.318 -3.297 3.781 508 HD11 LEU 67 1HD1 LEU 67 4.957 -3.543 1.932 509 HD12 LEU 67 2HD1 LEU 67 5.366 -2.165 2.954 510 HD13 LEU 67 3HD1 LEU 67 4.891 -3.697 3.688 511 HD21 LEU 67 3HD2 LEU 67 8.006 -5.491 2.979 512 HD22 LEU 67 1HD2 LEU 67 6.531 -5.614 2.017 513 HD23 LEU 67 2HD2 LEU 67 6.435 -5.574 3.779 514 H LYS 68 H LYS 68 10.582 -4.282 -0.099 515 HA LYS 68 HA LYS 68 11.691 -1.765 -0.994 516 HB2 LYS 68 2HB LYS 68 13.154 -3.709 -0.756 517 HB3 LYS 68 3HB LYS 68 12.184 -4.600 -1.922 518 HG2 LYS 68 2HG LYS 68 12.791 -2.952 -3.649 519 HG3 LYS 68 3HG LYS 68 13.818 -2.128 -2.476 520 HD2 LYS 68 2HD LYS 68 15.163 -4.159 -2.232 521 HD3 LYS 68 3HD LYS 68 14.132 -4.981 -3.408 522 HE2 LYS 68 2HE LYS 68 14.799 -3.375 -5.122 523 HE3 LYS 68 3HE LYS 68 15.802 -2.523 -3.947 524 HZ1 LYS 68 3HZ LYS 68 16.186 -5.309 -4.909 525 HZ2 LYS 68 1HZ LYS 68 17.109 -4.570 -3.693 526 HZ3 LYS 68 2HZ LYS 68 17.159 -3.968 -5.276 527 HA PRO 69 HA PRO 69 8.715 -1.278 -4.293 528 HB2 PRO 69 2HB PRO 69 10.634 0.683 -5.359 529 HB3 PRO 69 3HB PRO 69 8.972 0.922 -4.814 530 HG2 PRO 69 2HG PRO 69 11.068 1.836 -3.405 531 HG3 PRO 69 3HG PRO 69 9.596 1.241 -2.617 532 HD2 PRO 69 2HD PRO 69 12.228 -0.138 -3.000 533 HD3 PRO 69 3HD PRO 69 11.170 -0.111 -1.573 534 H ASN 70 H ASN 70 9.404 -3.442 -5.007 535 HA ASN 70 HA ASN 70 9.962 -3.600 -7.703 536 HB2 ASN 70 2HB ASN 70 12.262 -2.901 -7.202 537 HB3 ASN 70 3HB ASN 70 12.415 -4.193 -6.017 538 HD21 ASN 70 1HD2 ASN 70 12.727 -6.294 -6.707 539 HD22 ASN 70 2HD2 ASN 70 13.123 -6.692 -8.342 540 H ASP 71 H ASP 71 10.335 -5.076 -4.552 541 HA ASP 71 HA ASP 71 10.219 -7.769 -5.631 542 HB2 ASP 71 2HB ASP 71 11.843 -7.239 -3.872 543 HB3 ASP 71 3HB ASP 71 10.538 -6.759 -2.795 544 H ARG 72 H ARG 72 8.675 -9.313 -5.027 545 HA ARG 72 HA ARG 72 6.158 -8.200 -3.983 546 HB2 ARG 72 2HB ARG 72 5.019 -10.086 -5.132 547 HB3 ARG 72 3HB ARG 72 5.825 -8.988 -6.237 548 HG2 ARG 72 2HG ARG 72 7.601 -10.543 -6.599 549 HG3 ARG 72 3HG ARG 72 7.001 -11.600 -5.319 550 HD2 ARG 72 2HD ARG 72 5.037 -12.122 -6.581 551 HD3 ARG 72 3HD ARG 72 5.439 -10.912 -7.799 552 HE ARG 72 HE ARG 72 7.438 -12.359 -8.276 553 HH11 ARG 72 1HH1 ARG 72 4.495 -13.711 -6.944 554 HH12 ARG 72 2HH1 ARG 72 4.762 -15.292 -7.610 555 HH21 ARG 72 1HH2 ARG 72 7.762 -14.402 -9.212 556 HH22 ARG 72 2HH2 ARG 72 6.619 -15.683 -8.918 557 H TYR 73 H TYR 73 5.475 -8.915 -2.095 558 HA TYR 73 HA TYR 73 6.934 -11.127 -0.858 559 HB2 TYR 73 2HB TYR 73 5.245 -8.896 0.250 560 HB3 TYR 73 3HB TYR 73 5.665 -10.298 1.228 561 HD1 TYR 73 HD2 TYR 73 7.004 -7.328 -0.502 562 HD2 TYR 73 HD1 TYR 73 7.895 -10.602 2.067 563 HE1 TYR 73 HE2 TYR 73 9.157 -6.286 0.073 564 HE2 TYR 73 HE1 TYR 73 10.048 -9.568 2.648 565 HH TYR 73 HH TYR 73 10.788 -6.403 2.074 566 H LEU 74 H LEU 74 5.992 -12.966 -0.168 567 HA LEU 74 HA LEU 74 3.336 -13.562 -1.185 568 HB2 LEU 74 2HB LEU 74 5.186 -15.147 -1.540 569 HB3 LEU 74 3HB LEU 74 5.380 -15.310 0.194 570 HG LEU 74 HG LEU 74 3.091 -16.284 0.316 571 HD11 LEU 74 1HD1 LEU 74 3.279 -16.250 -2.695 572 HD12 LEU 74 2HD1 LEU 74 2.175 -15.284 -1.717 573 HD13 LEU 74 3HD1 LEU 74 2.023 -17.040 -1.743 574 HD21 LEU 74 3HD2 LEU 74 5.036 -17.682 -1.518 575 HD22 LEU 74 1HD2 LEU 74 3.712 -18.452 -0.646 576 HD23 LEU 74 2HD2 LEU 74 5.048 -17.725 0.246 577 H LEU 75 H LEU 75 1.552 -13.613 0.050 578 HA LEU 75 HA LEU 75 1.879 -13.679 2.966 579 HB2 LEU 75 2HB LEU 75 0.161 -11.978 3.253 580 HB3 LEU 75 3HB LEU 75 1.529 -11.351 2.360 581 HG LEU 75 HG LEU 75 -0.958 -12.299 0.948 582 HD11 LEU 75 1HD1 LEU 75 -0.394 -9.523 1.980 583 HD12 LEU 75 2HD1 LEU 75 -1.617 -10.625 2.612 584 HD13 LEU 75 3HD1 LEU 75 -1.755 -10.004 0.968 585 HD21 LEU 75 3HD2 LEU 75 1.033 -11.957 -0.425 586 HD22 LEU 75 1HD2 LEU 75 1.200 -10.321 0.214 587 HD23 LEU 75 2HD2 LEU 75 -0.196 -10.744 -0.778 588 H ASN 76 H ASN 76 -0.652 -13.721 3.847 589 HA ASN 76 HA ASN 76 -1.968 -15.861 2.328 590 HB2 ASN 76 2HB ASN 76 -2.276 -17.205 4.333 591 HB3 ASN 76 3HB ASN 76 -0.565 -16.914 4.055 592 HD21 ASN 76 1HD2 ASN 76 0.594 -15.665 5.495 593 HD22 ASN 76 2HD2 ASN 76 -0.047 -15.184 7.034 594 H GLU 77 H GLU 77 -2.250 -13.224 4.621 595 HA GLU 77 HA GLU 77 -5.142 -13.656 4.749 596 HB2 GLU 77 2HB GLU 77 -3.858 -13.401 6.890 597 HB3 GLU 77 3HB GLU 77 -3.496 -11.745 6.414 598 HG2 GLU 77 2HG GLU 77 -5.811 -11.154 6.473 599 HG3 GLU 77 3HG GLU 77 -6.283 -12.832 6.718 600 H TRP 78 H TRP 78 -6.571 -11.843 4.491 601 HA TRP 78 HA TRP 78 -5.703 -10.180 2.253 602 HB2 TRP 78 2HB TRP 78 -8.464 -10.789 3.331 603 HB3 TRP 78 3HB TRP 78 -8.129 -9.825 1.899 604 HD1 TRP 78 HD1 TRP 78 -7.356 -13.448 3.107 605 HE1 TRP 78 HE1 TRP 78 -7.582 -15.017 1.077 606 HE3 TRP 78 HE3 TRP 78 -8.429 -9.969 -0.475 607 HZ2 TRP 78 HZ2 TRP 78 -8.159 -14.794 -1.681 608 HZ3 TRP 78 HZ3 TRP 78 -8.811 -10.728 -2.780 609 HH2 TRP 78 HH2 TRP 78 -8.679 -13.093 -3.371 610 H LYS 79 H LYS 79 -5.306 -9.674 5.281 611 HA LYS 79 HA LYS 79 -6.113 -6.868 5.168 612 HB2 LYS 79 2HB LYS 79 -7.877 -7.908 6.473 613 HB3 LYS 79 3HB LYS 79 -6.695 -8.714 7.494 614 HG2 LYS 79 2HG LYS 79 -5.935 -6.555 8.336 615 HG3 LYS 79 3HG LYS 79 -7.102 -5.737 7.301 616 HD2 LYS 79 2HD LYS 79 -8.175 -5.786 9.362 617 HD3 LYS 79 3HD LYS 79 -8.860 -7.178 8.529 618 HE2 LYS 79 2HE LYS 79 -6.515 -7.368 10.408 619 HE3 LYS 79 3HE LYS 79 -8.187 -7.543 10.935 620 HZ1 LYS 79 3HZ LYS 79 -8.372 -9.382 9.283 621 HZ2 LYS 79 1HZ LYS 79 -7.316 -9.699 10.566 622 HZ3 LYS 79 2HZ LYS 79 -6.697 -9.287 9.046 623 H PHE 80 H PHE 80 -4.555 -5.514 5.872 624 HA PHE 80 HA PHE 80 -2.775 -6.230 7.982 625 HB2 PHE 80 2HB PHE 80 -1.829 -7.378 5.872 626 HB3 PHE 80 3HB PHE 80 -1.393 -5.752 5.354 627 HD1 PHE 80 HD2 PHE 80 -0.983 -8.150 8.157 628 HD2 PHE 80 HD1 PHE 80 0.589 -4.784 6.086 629 HE1 PHE 80 HE2 PHE 80 1.058 -8.271 9.520 630 HE2 PHE 80 HE1 PHE 80 2.631 -4.896 7.452 631 HZ PHE 80 HZ PHE 80 2.866 -6.639 9.169 632 H ARG 81 H ARG 81 -1.397 -4.490 8.621 633 HA ARG 81 HA ARG 81 -2.374 -1.863 7.705 634 HB2 ARG 81 2HB ARG 81 -2.836 -2.584 10.062 635 HB3 ARG 81 3HB ARG 81 -1.108 -2.647 10.339 636 HG2 ARG 81 2HG ARG 81 -0.946 -0.245 9.991 637 HG3 ARG 81 3HG ARG 81 -2.682 -0.172 9.653 638 HD2 ARG 81 2HD ARG 81 -3.074 -1.183 11.911 639 HD3 ARG 81 3HD ARG 81 -1.353 -1.005 12.230 640 HE ARG 81 HE ARG 81 -1.690 1.423 12.042 641 HH11 ARG 81 1HH1 ARG 81 -4.493 -0.619 12.575 642 HH12 ARG 81 2HH1 ARG 81 -5.416 0.633 13.361 643 HH21 ARG 81 1HH2 ARG 81 -2.897 3.064 13.108 644 HH22 ARG 81 2HH2 ARG 81 -4.494 2.701 13.686 645 H LEU 82 H LEU 82 -0.914 -0.536 6.750 646 HA LEU 82 HA LEU 82 1.905 -1.393 6.813 647 HB2 LEU 82 2HB LEU 82 0.363 0.030 4.642 648 HB3 LEU 82 3HB LEU 82 2.086 -0.294 4.590 649 HG LEU 82 HG LEU 82 -0.058 -2.418 4.713 650 HD11 LEU 82 1HD1 LEU 82 1.623 -1.480 2.394 651 HD12 LEU 82 2HD1 LEU 82 -0.108 -1.214 2.591 652 HD13 LEU 82 3HD1 LEU 82 0.515 -2.849 2.380 653 HD21 LEU 82 3HD2 LEU 82 2.032 -3.134 5.721 654 HD22 LEU 82 1HD2 LEU 82 2.924 -2.593 4.300 655 HD23 LEU 82 2HD2 LEU 82 1.793 -3.941 4.170 656 H TYR 83 H TYR 83 3.535 0.166 6.880 657 HA TYR 83 HA TYR 83 2.652 2.812 7.836 658 HB2 TYR 83 2HB TYR 83 4.976 1.100 8.728 659 HB3 TYR 83 3HB TYR 83 4.833 2.807 9.136 660 HD1 TYR 83 HD2 TYR 83 3.148 -0.488 9.512 661 HD2 TYR 83 HD1 TYR 83 3.503 3.509 10.932 662 HE1 TYR 83 HE2 TYR 83 1.732 -1.050 11.443 663 HE2 TYR 83 HE1 TYR 83 2.086 2.956 12.857 664 HH TYR 83 HH TYR 83 0.361 1.333 13.436 665 H TYR 84 H TYR 84 2.978 4.205 6.210 666 HA TYR 84 HA TYR 84 5.382 3.889 4.566 667 HB2 TYR 84 2HB TYR 84 3.168 4.181 3.427 668 HB3 TYR 84 3HB TYR 84 3.068 5.795 4.131 669 HD1 TYR 84 HD2 TYR 84 5.224 3.673 1.961 670 HD2 TYR 84 HD1 TYR 84 4.018 7.620 3.001 671 HE1 TYR 84 HE2 TYR 84 6.515 4.559 0.067 672 HE2 TYR 84 HE1 TYR 84 5.311 8.518 1.109 673 HH TYR 84 HH TYR 84 7.201 7.873 -0.307 674 H THR 85 H THR 85 7.070 4.781 5.550 675 HA THR 85 HA THR 85 6.779 7.363 6.882 676 HB THR 85 HB THR 85 9.161 5.493 6.738 677 HG1 THR 85 HG1 THR 85 7.292 6.033 8.831 678 HG21 THR 85 3HG2 THR 85 9.841 7.827 7.049 679 HG22 THR 85 1HG2 THR 85 10.112 6.887 8.517 680 HG23 THR 85 2HG2 THR 85 8.728 7.975 8.407 681 H SER 86 H SER 86 7.332 9.197 5.931 682 HA SER 86 HA SER 86 8.705 9.111 3.363 683 HB2 SER 86 2HB SER 86 7.420 11.457 4.779 684 HB3 SER 86 3HB SER 86 7.978 11.414 3.105 685 HG SER 86 HG SER 86 5.748 10.169 4.279 686 H GLN 87 H GLN 87 10.642 10.056 2.969 687 HA GLN 87 HA GLN 87 12.007 11.576 5.039 688 HB2 GLN 87 2HB GLN 87 14.029 10.141 4.912 689 HB3 GLN 87 3HB GLN 87 12.656 9.318 5.627 690 HG2 GLN 87 2HG GLN 87 13.370 8.989 2.728 691 HG3 GLN 87 3HG GLN 87 14.101 8.006 3.997 692 HE21 GLN 87 1HE2 GLN 87 12.771 6.587 5.179 693 HE22 GLN 87 2HE2 GLN 87 11.253 6.052 4.543 694 H SER 88 H SER 88 10.929 11.973 2.330 695 HA SER 88 HA SER 88 13.411 12.458 0.824 696 HB2 SER 88 2HB SER 88 10.713 11.818 -0.375 697 HB3 SER 88 3HB SER 88 12.277 11.845 -1.191 698 HG SER 88 HG SER 88 11.132 9.773 -0.159 699 H ASP 89 H ASP 89 12.379 13.856 -1.266 700 HA ASP 89 HA ASP 89 11.802 16.411 -0.062 701 HB2 ASP 89 2HB ASP 89 12.091 17.304 -2.299 702 HB3 ASP 89 3HB ASP 89 13.397 16.179 -1.946 703 H LYS 90 H LYS 90 10.048 17.792 -0.941 704 HA LYS 90 HA LYS 90 7.577 16.280 -0.889 705 HB2 LYS 90 2HB LYS 90 8.055 19.266 -0.956 706 HB3 LYS 90 3HB LYS 90 6.493 18.493 -0.725 707 HG2 LYS 90 2HG LYS 90 7.190 17.565 1.370 708 HG3 LYS 90 3HG LYS 90 8.843 18.133 1.118 709 HD2 LYS 90 2HD LYS 90 7.984 20.462 1.107 710 HD3 LYS 90 3HD LYS 90 6.383 19.833 1.504 711 HE2 LYS 90 2HE LYS 90 7.545 20.618 3.498 712 HE3 LYS 90 3HE LYS 90 7.256 18.880 3.565 713 HZ1 LYS 90 3HZ LYS 90 9.573 18.559 2.804 714 HZ2 LYS 90 1HZ LYS 90 9.464 19.336 4.305 715 HZ3 LYS 90 2HZ LYS 90 9.820 20.233 2.915 716 H GLU 91 H GLU 91 7.526 15.269 -2.867 717 HA GLU 91 HA GLU 91 6.980 17.051 -5.145 718 HB2 GLU 91 2HB GLU 91 9.236 15.906 -5.274 719 HB3 GLU 91 3HB GLU 91 8.373 14.377 -5.363 720 HG2 GLU 91 2HG GLU 91 8.988 15.040 -7.567 721 HG3 GLU 91 3HG GLU 91 7.239 15.195 -7.408 722 H ALA 92 H ALA 92 6.900 13.562 -4.555 723 HA ALA 92 HA ALA 92 4.082 13.370 -4.408 724 HB1 ALA 92 3HB ALA 92 5.335 12.541 -7.030 725 HB2 ALA 92 1HB ALA 92 4.226 13.893 -6.794 726 HB3 ALA 92 2HB ALA 92 3.667 12.239 -6.542 727 H GLN 93 H GLN 93 4.410 11.968 -2.715 728 HA GLN 93 HA GLN 93 6.199 9.717 -3.014 729 HB2 GLN 93 2HB GLN 93 4.270 10.414 -0.785 730 HB3 GLN 93 3HB GLN 93 5.408 9.073 -0.750 731 HG2 GLN 93 2HG GLN 93 6.521 10.668 0.464 732 HG3 GLN 93 3HG GLN 93 7.192 10.918 -1.145 733 HE21 GLN 93 1HE2 GLN 93 5.162 12.195 1.346 734 HE22 GLN 93 2HE2 GLN 93 4.991 13.785 0.691 735 H THR 94 H THR 94 5.232 8.710 -4.834 736 HA THR 94 HA THR 94 2.495 7.717 -4.444 737 HB THR 94 HB THR 94 4.071 7.806 -7.015 738 HG1 THR 94 HG1 THR 94 3.672 9.875 -7.034 739 HG21 THR 94 3HG2 THR 94 1.119 7.522 -6.436 740 HG22 THR 94 1HG2 THR 94 2.192 6.259 -7.041 741 HG23 THR 94 2HG2 THR 94 1.831 7.666 -8.042 742 H ILE 95 H ILE 95 2.196 5.642 -4.002 743 HA ILE 95 HA ILE 95 4.246 3.722 -4.900 744 HB ILE 95 HB ILE 95 3.449 2.240 -3.016 745 HG12 ILE 95 2HG1 ILE 95 2.267 4.829 -1.984 746 HG13 ILE 95 3HG1 ILE 95 1.335 3.453 -2.562 747 HG21 ILE 95 1HG2 ILE 95 4.843 3.350 -1.337 748 HG22 ILE 95 2HG2 ILE 95 4.782 4.841 -2.278 749 HG23 ILE 95 3HG2 ILE 95 5.575 3.411 -2.940 750 HD11 ILE 95 3HD1 ILE 95 1.405 3.508 -0.143 751 HD12 ILE 95 1HD1 ILE 95 3.167 3.477 -0.178 752 HD13 ILE 95 2HD1 ILE 95 2.250 2.085 -0.755 753 H ASP 96 H ASP 96 3.576 2.118 -6.174 754 HA ASP 96 HA ASP 96 0.678 1.877 -6.638 755 HB2 ASP 96 2HB ASP 96 2.520 2.460 -8.497 756 HB3 ASP 96 3HB ASP 96 2.651 0.703 -8.540 757 H LEU 97 H LEU 97 -0.171 0.195 -5.631 758 HA LEU 97 HA LEU 97 1.588 -2.016 -4.857 759 HB2 LEU 97 2HB LEU 97 -1.180 -1.318 -3.871 760 HB3 LEU 97 3HB LEU 97 -0.149 -2.583 -3.231 761 HG LEU 97 HG LEU 97 0.346 0.391 -3.066 762 HD11 LEU 97 1HD1 LEU 97 -1.362 -0.430 -1.527 763 HD12 LEU 97 2HD1 LEU 97 0.102 0.040 -0.662 764 HD13 LEU 97 3HD1 LEU 97 -0.249 -1.665 -0.942 765 HD21 LEU 97 3HD2 LEU 97 2.034 -1.910 -2.090 766 HD22 LEU 97 1HD2 LEU 97 2.314 -0.208 -1.722 767 HD23 LEU 97 2HD2 LEU 97 2.448 -0.786 -3.383 768 H TYR 98 H TYR 98 1.590 -3.705 -6.123 769 HA TYR 98 HA TYR 98 -0.755 -4.297 -7.760 770 HB2 TYR 98 2HB TYR 98 2.058 -5.406 -7.869 771 HB3 TYR 98 3HB TYR 98 0.759 -5.837 -8.976 772 HD1 TYR 98 HD2 TYR 98 -0.201 -4.057 -10.471 773 HD2 TYR 98 HD1 TYR 98 3.354 -3.451 -8.212 774 HE1 TYR 98 HE2 TYR 98 0.387 -2.158 -11.915 775 HE2 TYR 98 HE1 TYR 98 3.948 -1.545 -9.649 776 HH TYR 98 HH TYR 98 1.756 -0.068 -11.713 777 H PHE 99 H PHE 99 -2.144 -5.251 -6.321 778 HA PHE 99 HA PHE 99 -1.330 -7.580 -4.783 779 HB2 PHE 99 2HB PHE 99 -4.056 -6.337 -5.262 780 HB3 PHE 99 3HB PHE 99 -3.758 -7.702 -4.199 781 HD1 PHE 99 HD2 PHE 99 -3.069 -4.103 -4.692 782 HD2 PHE 99 HD1 PHE 99 -3.065 -7.388 -1.987 783 HE1 PHE 99 HE2 PHE 99 -2.711 -2.555 -2.815 784 HE2 PHE 99 HE1 PHE 99 -2.714 -5.844 -0.106 785 HZ PHE 99 HZ PHE 99 -2.537 -3.421 -0.520 786 H GLU 100 H GLU 100 -1.079 -9.498 -5.871 787 HA GLU 100 HA GLU 100 -3.030 -9.996 -8.025 788 HB2 GLU 100 2HB GLU 100 -0.574 -10.177 -8.588 789 HB3 GLU 100 3HB GLU 100 -0.489 -11.544 -7.484 790 HG2 GLU 100 2HG GLU 100 -2.081 -12.771 -8.834 791 HG3 GLU 100 3HG GLU 100 -2.260 -11.389 -9.913 792 H ASP 101 H ASP 101 -4.670 -11.131 -7.465 793 HA ASP 101 HA ASP 101 -4.842 -13.536 -6.200 794 HB2 ASP 101 2HB ASP 101 -5.655 -12.872 -3.888 795 HB3 ASP 101 3HB ASP 101 -3.925 -12.717 -4.152 796 H ASN 102 H ASN 102 -6.926 -11.358 -4.589 797 HA ASN 102 HA ASN 102 -9.163 -10.998 -4.701 798 HB2 ASN 102 2HB ASN 102 -8.271 -9.487 -6.530 799 HB3 ASN 102 3HB ASN 102 -8.739 -10.731 -7.683 800 HD21 ASN 102 1HD2 ASN 102 -10.793 -10.803 -8.373 801 HD22 ASN 102 2HD2 ASN 102 -12.066 -9.801 -7.784 802 H TRP 103 H TRP 103 -8.024 -13.780 -5.418 803 HA TRP 103 HA TRP 103 -8.712 -15.829 -6.079 804 HB2 TRP 103 2HB TRP 103 -11.299 -14.548 -5.252 805 HB3 TRP 103 3HB TRP 103 -11.268 -16.191 -5.883 806 HD1 TRP 103 HD1 TRP 103 -8.223 -16.373 -4.211 807 HE1 TRP 103 HE1 TRP 103 -8.418 -17.122 -1.756 808 HE3 TRP 103 HE3 TRP 103 -13.208 -15.469 -3.490 809 HZ2 TRP 103 HZ2 TRP 103 -10.429 -17.306 0.222 810 HZ3 TRP 103 HZ3 TRP 103 -14.188 -15.964 -1.289 811 HH2 TRP 103 HH2 TRP 103 -12.826 -16.867 0.529 812 H GLY 104 H GLY 104 -8.428 -13.712 -8.144 813 HA2 GLY 104 2HA GLY 104 -9.601 -15.145 -10.309 814 HA3 GLY 104 3HA GLY 104 -10.511 -13.688 -9.970 815 H ASN 105 H ASN 105 -8.199 -12.010 -9.306 816 HA ASN 105 HA ASN 105 -6.707 -11.933 -11.783 817 HB2 ASN 105 2HB ASN 105 -7.621 -9.741 -12.502 818 HB3 ASN 105 3HB ASN 105 -8.809 -11.039 -12.565 819 HD21 ASN 105 1HD2 ASN 105 -7.866 -8.085 -11.008 820 HD22 ASN 105 2HD2 ASN 105 -9.337 -7.854 -10.128 821 H LEU 106 H LEU 106 -5.703 -9.618 -12.008 822 HA LEU 106 HA LEU 106 -4.257 -9.086 -9.534 823 HB2 LEU 106 2HB LEU 106 -2.966 -9.333 -11.566 824 HB3 LEU 106 3HB LEU 106 -3.934 -8.124 -12.382 825 HG LEU 106 HG LEU 106 -3.029 -6.457 -10.677 826 HD11 LEU 106 1HD1 LEU 106 -1.048 -8.681 -10.228 827 HD12 LEU 106 2HD1 LEU 106 -2.199 -8.058 -9.045 828 HD13 LEU 106 3HD1 LEU 106 -0.901 -7.023 -9.640 829 HD21 LEU 106 3HD2 LEU 106 -2.318 -6.505 -12.998 830 HD22 LEU 106 1HD2 LEU 106 -1.136 -7.760 -12.628 831 HD23 LEU 106 2HD2 LEU 106 -0.953 -6.147 -11.940 832 H GLN 107 H GLN 107 -4.420 -7.220 -8.375 833 HA GLN 107 HA GLN 107 -6.196 -5.101 -9.410 834 HB2 GLN 107 2HB GLN 107 -5.748 -5.891 -6.522 835 HB3 GLN 107 3HB GLN 107 -6.760 -4.566 -7.075 836 HG2 GLN 107 2HG GLN 107 -8.206 -6.200 -8.225 837 HG3 GLN 107 3HG GLN 107 -7.219 -7.501 -7.556 838 HE21 GLN 107 1HE2 GLN 107 -7.286 -7.901 -5.327 839 HE22 GLN 107 2HE2 GLN 107 -8.580 -7.321 -4.346 840 H GLN 108 H GLN 108 -4.936 -3.436 -10.012 841 HA GLN 108 HA GLN 108 -2.495 -2.936 -8.486 842 HB2 GLN 108 2HB GLN 108 -1.815 -1.473 -10.320 843 HB3 GLN 108 3HB GLN 108 -2.223 -3.073 -10.911 844 HG2 GLN 108 2HG GLN 108 -4.423 -2.195 -11.626 845 HG3 GLN 108 3HG GLN 108 -3.902 -0.584 -11.130 846 HE21 GLN 108 1HE2 GLN 108 -4.681 -1.373 -13.759 847 HE22 GLN 108 2HE2 GLN 108 -3.307 -1.150 -14.789 848 H LEU 109 H LEU 109 -2.707 -1.669 -6.806 849 HA LEU 109 HA LEU 109 -4.749 0.445 -6.888 850 HB2 LEU 109 2HB LEU 109 -3.427 -0.895 -4.528 851 HB3 LEU 109 3HB LEU 109 -4.580 0.419 -4.410 852 HG LEU 109 HG LEU 109 -5.133 -2.353 -5.475 853 HD11 LEU 109 1HD1 LEU 109 -6.590 -2.540 -3.531 854 HD12 LEU 109 2HD1 LEU 109 -6.094 -0.935 -2.996 855 HD13 LEU 109 3HD1 LEU 109 -4.919 -2.249 -3.050 856 HD21 LEU 109 3HD2 LEU 109 -6.983 0.011 -5.194 857 HD22 LEU 109 1HD2 LEU 109 -7.458 -1.627 -5.645 858 HD23 LEU 109 2HD2 LEU 109 -6.411 -0.687 -6.709 859 H THR 110 H THR 110 -3.965 2.354 -7.377 860 HA THR 110 HA THR 110 -1.193 3.004 -6.804 861 HB THR 110 HB THR 110 -3.276 4.684 -8.217 862 HG1 THR 110 HG1 THR 110 -1.358 2.836 -9.274 863 HG21 THR 110 3HG2 THR 110 -0.252 4.788 -8.276 864 HG22 THR 110 1HG2 THR 110 -1.303 5.926 -7.432 865 HG23 THR 110 2HG2 THR 110 -1.344 5.827 -9.192 866 H TYR 111 H TYR 111 -0.689 3.901 -4.918 867 HA TYR 111 HA TYR 111 -2.645 5.687 -3.647 868 HB2 TYR 111 2HB TYR 111 -0.337 4.111 -2.521 869 HB3 TYR 111 3HB TYR 111 -1.097 5.421 -1.623 870 HD1 TYR 111 HD1 TYR 111 -1.602 2.049 -3.025 871 HD2 TYR 111 HD2 TYR 111 -3.260 5.153 -0.633 872 HE1 TYR 111 HE1 TYR 111 -3.329 0.498 -2.214 873 HE2 TYR 111 HE2 TYR 111 -4.992 3.610 0.185 874 HH TYR 111 HH TYR 111 -6.085 1.536 -0.499 875 H ASP 112 H ASP 112 -2.348 7.642 -4.370 876 HA ASP 112 HA ASP 112 0.336 8.588 -5.047 877 HB2 ASP 112 2HB ASP 112 -1.491 8.684 -6.745 878 HB3 ASP 112 3HB ASP 112 -2.376 9.776 -5.690 879 H PHE 113 H PHE 113 1.328 9.607 -3.409 880 HA PHE 113 HA PHE 113 -0.255 11.482 -1.775 881 HB2 PHE 113 2HB PHE 113 2.367 10.129 -1.095 882 HB3 PHE 113 3HB PHE 113 1.523 11.279 -0.069 883 HD1 PHE 113 HD2 PHE 113 -0.608 10.654 0.994 884 HD2 PHE 113 HD1 PHE 113 1.704 7.845 -1.212 885 HE1 PHE 113 HE2 PHE 113 -1.853 8.809 2.040 886 HE2 PHE 113 HE1 PHE 113 0.462 5.994 -0.169 887 HZ PHE 113 HZ PHE 113 -1.319 6.479 1.463 888 H ASN 114 H ASN 114 0.908 13.480 -1.130 889 HA ASN 114 HA ASN 114 3.192 14.252 -2.726 890 HB2 ASN 114 2HB ASN 114 2.079 16.140 -3.835 891 HB3 ASN 114 3HB ASN 114 1.371 14.606 -4.331 892 HD21 ASN 114 1HD2 ASN 114 -0.688 14.046 -3.572 893 HD22 ASN 114 2HD2 ASN 114 -1.785 15.229 -2.949 894 H GLY 115 H GLY 115 3.997 16.366 -2.169 895 HA2 GLY 115 2HA GLY 115 3.142 17.193 0.529 896 HA3 GLY 115 3HA GLY 115 4.771 17.386 -0.109 897 H LYS 116 H LYS 116 1.580 18.681 0.029 898 HA LYS 116 HA LYS 116 1.793 20.527 -2.108 899 HB2 LYS 116 2HB LYS 116 -0.329 19.706 -0.957 900 HB3 LYS 116 3HB LYS 116 0.036 20.856 0.322 901 HG2 LYS 116 2HG LYS 116 0.055 22.648 -1.436 902 HG3 LYS 116 3HG LYS 116 -0.571 21.445 -2.562 903 HD2 LYS 116 2HD LYS 116 -1.886 22.292 0.015 904 HD3 LYS 116 3HD LYS 116 -2.347 22.835 -1.598 905 HE2 LYS 116 2HE LYS 116 -2.886 20.528 -2.210 906 HE3 LYS 116 3HE LYS 116 -2.438 19.995 -0.588 907 HZ1 LYS 116 3HZ LYS 116 -4.197 21.447 0.291 908 HZ2 LYS 116 1HZ LYS 116 -4.811 20.250 -0.740 909 HZ3 LYS 116 2HZ LYS 116 -4.657 21.845 -1.288 910 H LEU 117 H LEU 117 1.785 22.898 -1.854 911 HA LEU 117 HA LEU 117 4.083 23.693 -0.343 912 HB2 LEU 117 2HB LEU 117 2.199 25.234 -2.122 913 HB3 LEU 117 3HB LEU 117 3.584 25.958 -1.334 914 HG LEU 117 HG LEU 117 5.017 24.259 -2.569 915 HD11 LEU 117 1HD1 LEU 117 2.510 23.934 -4.210 916 HD12 LEU 117 2HD1 LEU 117 3.215 22.700 -3.167 917 HD13 LEU 117 3HD1 LEU 117 4.101 23.269 -4.583 918 HD21 LEU 117 3HD2 LEU 117 5.003 25.577 -4.636 919 HD22 LEU 117 1HD2 LEU 117 4.914 26.602 -3.202 920 HD23 LEU 117 2HD2 LEU 117 3.464 26.296 -4.159 921 H GLU 118 H GLU 118 0.837 23.462 0.426 922 HA GLU 118 HA GLU 118 0.578 25.765 2.083 923 HB2 GLU 118 2HB GLU 118 -0.959 23.167 2.018 924 HB3 GLU 118 3HB GLU 118 -1.350 24.493 3.102 925 HG2 GLU 118 2HG GLU 118 -1.595 25.939 1.063 926 HG3 GLU 118 3HG GLU 118 -1.472 24.464 0.105 927 H HIS 119 H HIS 119 0.670 25.919 4.313 928 HA HIS 119 HA HIS 119 2.728 24.182 5.443 929 HB2 HIS 119 2HB HIS 119 1.616 26.837 6.386 930 HB3 HIS 119 3HB HIS 119 2.894 25.943 7.199 931 HD1 HIS 119 HD1 HIS 119 5.150 26.760 6.639 932 HD2 HIS 119 HD2 HIS 119 2.470 27.365 3.514 933 HE1 HIS 119 HE1 HIS 119 6.462 27.903 4.827 934 HE2 HIS 119 HE2 HIS 119 4.882 28.022 2.868 935 H HIS 120 H HIS 120 2.212 22.597 6.788 936 HA HIS 120 HA HIS 120 -0.344 22.278 7.982 937 HB2 HIS 120 2HB HIS 120 2.301 21.040 8.812 938 HB3 HIS 120 3HB HIS 120 0.706 20.490 9.313 939 HD1 HIS 120 HD1 HIS 120 3.243 19.513 7.134 940 HD2 HIS 120 HD2 HIS 120 -0.871 19.930 6.694 941 HE1 HIS 120 HE1 HIS 120 2.625 18.103 5.147 942 HE2 HIS 120 HE2 HIS 120 0.180 18.564 4.761 943 H HIS 121 H HIS 121 -1.074 22.893 10.009 944 HA HIS 121 HA HIS 121 -0.041 25.313 10.972 945 HB2 HIS 121 2HB HIS 121 -2.413 24.318 11.219 946 HB3 HIS 121 3HB HIS 121 -1.777 23.516 12.651 947 HD1 HIS 121 HD1 HIS 121 -3.283 24.882 14.238 948 HD2 HIS 121 HD2 HIS 121 -0.727 27.193 11.907 949 HE1 HIS 121 HE1 HIS 121 -3.366 27.193 15.224 950 HE2 HIS 121 HE2 HIS 121 -1.691 28.536 13.893 951 H HIS 122 H HIS 122 -0.006 22.108 12.578 952 HA HIS 122 HA HIS 122 2.742 22.361 13.182 953 HB2 HIS 122 2HB HIS 122 2.698 22.468 15.615 954 HB3 HIS 122 3HB HIS 122 1.946 23.897 14.930 955 HD1 HIS 122 HD1 HIS 122 1.461 21.391 17.468 956 HD2 HIS 122 HD2 HIS 122 -1.031 23.667 15.024 957 HE1 HIS 122 HE1 HIS 122 -0.795 21.355 18.573 958 HE2 HIS 122 HE2 HIS 122 -2.234 22.885 17.181 959 H HIS 123 H HIS 123 3.293 20.379 12.663 960 HA HIS 123 HA HIS 123 1.709 18.084 13.499 961 HB2 HIS 123 2HB HIS 123 2.908 18.185 11.276 962 HB3 HIS 123 3HB HIS 123 4.430 18.115 12.156 963 HD1 HIS 123 HD1 HIS 123 5.302 15.847 11.579 964 HD2 HIS 123 HD2 HIS 123 1.294 15.753 12.690 965 HE1 HIS 123 HE1 HIS 123 4.691 13.414 11.699 966 HE2 HIS 123 HE2 HIS 123 2.207 13.388 12.141 967 H HIS 124 H HIS 124 2.351 19.503 15.628 968 HA HIS 124 HA HIS 124 4.348 17.957 17.071 969 HB2 HIS 124 2HB HIS 124 5.600 19.862 16.157 970 HB3 HIS 124 3HB HIS 124 4.415 20.976 16.824 971 HD1 HIS 124 HD1 HIS 124 5.021 21.972 19.001 972 HD2 HIS 124 HD2 HIS 124 7.001 18.371 18.322 973 HE1 HIS 124 HE1 HIS 124 6.618 21.697 20.929 974 HE2 HIS 124 HE2 HIS 124 7.765 19.487 20.533 Start of MODEL 12 1 H1 MET 1 1H MET 1 -23.719 -5.265 13.235 2 H2 MET 1 2H MET 1 -22.443 -5.898 14.163 3 H3 MET 1 3H MET 1 -23.832 -6.831 13.884 4 HA MET 1 HA MET 1 -21.934 -5.908 11.808 5 HB2 MET 1 2HB MET 1 -21.224 -8.242 11.647 6 HB3 MET 1 3HB MET 1 -20.924 -7.599 13.255 7 HG2 MET 1 2HG MET 1 -22.900 -8.737 14.092 8 HG3 MET 1 3HG MET 1 -23.242 -9.357 12.478 9 HE1 MET 1 3HE MET 1 -22.106 -12.563 14.429 10 HE2 MET 1 1HE MET 1 -23.357 -11.851 13.409 11 HE3 MET 1 2HE MET 1 -23.070 -11.216 15.029 12 H ASN 2 H ASN 2 -25.096 -6.893 12.561 13 HA ASN 2 HA ASN 2 -25.615 -8.215 10.050 14 HB2 ASN 2 2HB ASN 2 -27.983 -8.238 10.808 15 HB3 ASN 2 3HB ASN 2 -26.876 -8.959 11.966 16 HD21 ASN 2 1HD2 ASN 2 -28.264 -8.677 13.668 17 HD22 ASN 2 2HD2 ASN 2 -28.606 -7.128 14.360 18 H GLU 3 H GLU 3 -24.900 -5.173 10.588 19 HA GLU 3 HA GLU 3 -26.889 -3.664 9.295 20 HB2 GLU 3 2HB GLU 3 -23.903 -3.176 9.213 21 HB3 GLU 3 3HB GLU 3 -25.162 -1.998 8.886 22 HG2 GLU 3 2HG GLU 3 -24.447 -1.483 11.029 23 HG3 GLU 3 3HG GLU 3 -25.923 -2.410 11.289 24 H LEU 4 H LEU 4 -24.224 -5.598 8.121 25 HA LEU 4 HA LEU 4 -24.999 -5.090 5.351 26 HB2 LEU 4 2HB LEU 4 -22.721 -6.695 6.523 27 HB3 LEU 4 3HB LEU 4 -23.024 -6.511 4.805 28 HG LEU 4 HG LEU 4 -22.348 -4.262 6.707 29 HD11 LEU 4 1HD1 LEU 4 -20.210 -4.197 5.514 30 HD12 LEU 4 2HD1 LEU 4 -20.687 -5.624 4.593 31 HD13 LEU 4 3HD1 LEU 4 -20.454 -5.740 6.336 32 HD21 LEU 4 3HD2 LEU 4 -22.731 -4.303 3.716 33 HD22 LEU 4 1HD2 LEU 4 -22.112 -2.941 4.646 34 HD23 LEU 4 2HD2 LEU 4 -23.764 -3.501 4.900 35 H ASP 5 H ASP 5 -23.788 -8.135 6.530 36 HA ASP 5 HA ASP 5 -24.642 -10.186 6.891 37 HB2 ASP 5 2HB ASP 5 -26.552 -8.632 7.951 38 HB3 ASP 5 3HB ASP 5 -27.488 -9.402 6.670 39 H ILE 6 H ILE 6 -26.626 -8.465 4.488 40 HA ILE 6 HA ILE 6 -27.343 -10.696 2.961 41 HB ILE 6 HB ILE 6 -27.082 -7.779 2.256 42 HG12 ILE 6 2HG1 ILE 6 -29.557 -8.042 1.899 43 HG13 ILE 6 3HG1 ILE 6 -29.415 -9.698 2.475 44 HG21 ILE 6 1HG2 ILE 6 -26.461 -8.977 0.238 45 HG22 ILE 6 2HG2 ILE 6 -28.061 -8.258 0.057 46 HG23 ILE 6 3HG2 ILE 6 -27.901 -9.986 0.371 47 HD11 ILE 6 3HD1 ILE 6 -28.631 -8.852 4.640 48 HD12 ILE 6 1HD1 ILE 6 -30.240 -8.261 4.225 49 HD13 ILE 6 2HD1 ILE 6 -28.840 -7.204 4.052 50 H GLN 7 H GLN 7 -26.142 -12.060 1.906 51 HA GLN 7 HA GLN 7 -23.453 -11.215 1.045 52 HB2 GLN 7 2HB GLN 7 -22.805 -13.611 1.507 53 HB3 GLN 7 3HB GLN 7 -23.203 -12.650 2.925 54 HG2 GLN 7 2HG GLN 7 -25.560 -13.637 2.673 55 HG3 GLN 7 3HG GLN 7 -24.790 -14.823 1.620 56 HE21 GLN 7 1HE2 GLN 7 -25.039 -13.587 4.853 57 HE22 GLN 7 2HE2 GLN 7 -24.293 -14.935 5.641 58 H GLN 8 H GLN 8 -26.327 -11.837 -0.196 59 HA GLN 8 HA GLN 8 -25.819 -13.704 -2.267 60 HB2 GLN 8 2HB GLN 8 -27.706 -11.335 -2.261 61 HB3 GLN 8 3HB GLN 8 -27.744 -12.672 -3.402 62 HG2 GLN 8 2HG GLN 8 -28.243 -14.209 -1.564 63 HG3 GLN 8 3HG GLN 8 -28.238 -12.849 -0.440 64 HE21 GLN 8 1HE2 GLN 8 -29.497 -11.045 -2.369 65 HE22 GLN 8 2HE2 GLN 8 -31.162 -11.522 -2.445 66 H GLU 9 H GLU 9 -26.159 -10.186 -2.570 67 HA GLU 9 HA GLU 9 -24.156 -10.195 -4.693 68 HB2 GLU 9 2HB GLU 9 -26.235 -8.991 -5.139 69 HB3 GLU 9 3HB GLU 9 -26.007 -8.017 -3.694 70 HG2 GLU 9 2HG GLU 9 -23.976 -7.054 -4.699 71 HG3 GLU 9 3HG GLU 9 -24.279 -7.995 -6.160 72 H TYR 10 H TYR 10 -22.362 -10.609 -3.386 73 HA TYR 10 HA TYR 10 -21.269 -8.285 -2.050 74 HB2 TYR 10 2HB TYR 10 -22.606 -9.557 -0.316 75 HB3 TYR 10 3HB TYR 10 -21.501 -10.903 -0.550 76 HD1 TYR 10 HD1 TYR 10 -19.126 -10.691 0.172 77 HD2 TYR 10 HD2 TYR 10 -21.990 -7.652 0.992 78 HE1 TYR 10 HE1 TYR 10 -17.638 -9.757 1.894 79 HE2 TYR 10 HE2 TYR 10 -20.504 -6.710 2.708 80 HH TYR 10 HH TYR 10 -18.626 -7.623 4.218 81 HA PRO 11 HA PRO 11 -17.949 -10.649 -4.055 82 HB2 PRO 11 2HB PRO 11 -16.761 -8.595 -5.268 83 HB3 PRO 11 3HB PRO 11 -18.272 -9.268 -5.891 84 HG2 PRO 11 2HG PRO 11 -17.807 -6.760 -4.350 85 HG3 PRO 11 3HG PRO 11 -18.971 -7.086 -5.645 86 HD2 PRO 11 2HD PRO 11 -19.503 -7.107 -2.883 87 HD3 PRO 11 3HD PRO 11 -20.553 -7.749 -4.161 88 H PHE 12 H PHE 12 -15.448 -9.930 -4.123 89 HA PHE 12 HA PHE 12 -14.613 -9.604 -1.435 90 HB2 PHE 12 2HB PHE 12 -12.336 -9.595 -2.298 91 HB3 PHE 12 3HB PHE 12 -13.267 -10.851 -3.099 92 HD1 PHE 12 HD1 PHE 12 -14.246 -10.246 -5.430 93 HD2 PHE 12 HD2 PHE 12 -11.100 -8.093 -3.536 94 HE1 PHE 12 HE1 PHE 12 -13.542 -9.357 -7.613 95 HE2 PHE 12 HE2 PHE 12 -10.394 -7.199 -5.718 96 HZ PHE 12 HZ PHE 12 -11.616 -7.831 -7.759 97 H THR 13 H THR 13 -14.590 -7.793 -0.312 98 HA THR 13 HA THR 13 -14.838 -5.271 -1.785 99 HB THR 13 HB THR 13 -15.364 -5.811 1.144 100 HG1 THR 13 HG1 THR 13 -16.733 -6.853 -0.645 101 HG21 THR 13 3HG2 THR 13 -16.635 -3.705 1.030 102 HG22 THR 13 1HG2 THR 13 -16.118 -3.493 -0.643 103 HG23 THR 13 2HG2 THR 13 -14.929 -3.459 0.659 104 H VAL 14 H VAL 14 -13.233 -3.854 -1.844 105 HA VAL 14 HA VAL 14 -10.868 -4.280 -0.219 106 HB VAL 14 HB VAL 14 -11.403 -2.120 -2.273 107 HG11 VAL 14 1HG1 VAL 14 -9.641 -1.526 -0.697 108 HG12 VAL 14 2HG1 VAL 14 -8.969 -1.846 -2.296 109 HG13 VAL 14 3HG1 VAL 14 -8.822 -3.053 -1.019 110 HG21 VAL 14 3HG2 VAL 14 -9.951 -4.749 -2.576 111 HG22 VAL 14 1HG2 VAL 14 -10.066 -3.485 -3.801 112 HG23 VAL 14 2HG2 VAL 14 -11.517 -4.340 -3.278 113 H GLU 15 H GLU 15 -11.174 -3.669 1.827 114 HA GLU 15 HA GLU 15 -12.531 -1.116 2.373 115 HB2 GLU 15 2HB GLU 15 -13.268 -3.377 3.387 116 HB3 GLU 15 3HB GLU 15 -11.820 -3.268 4.370 117 HG2 GLU 15 2HG GLU 15 -13.854 -1.075 4.347 118 HG3 GLU 15 3HG GLU 15 -14.041 -2.498 5.367 119 H SER 16 H SER 16 -11.334 0.575 3.120 120 HA SER 16 HA SER 16 -8.635 0.076 4.082 121 HB2 SER 16 2HB SER 16 -8.486 0.127 1.592 122 HB3 SER 16 3HB SER 16 -9.137 1.765 1.619 123 HG SER 16 HG SER 16 -6.726 0.894 2.840 124 H MET 17 H MET 17 -7.641 1.815 5.056 125 HA MET 17 HA MET 17 -9.373 3.791 6.233 126 HB2 MET 17 2HB MET 17 -7.729 2.858 7.662 127 HB3 MET 17 3HB MET 17 -6.455 3.078 6.476 128 HG2 MET 17 2HG MET 17 -6.129 4.651 8.226 129 HG3 MET 17 3HG MET 17 -6.658 5.529 6.793 130 HE1 MET 17 3HE MET 17 -6.631 6.591 9.849 131 HE2 MET 17 1HE MET 17 -8.132 7.517 9.855 132 HE3 MET 17 2HE MET 17 -7.055 7.591 8.459 133 HA PRO 18 HA PRO 18 -8.677 6.926 3.065 134 HB2 PRO 18 2HB PRO 18 -9.426 8.700 5.330 135 HB3 PRO 18 3HB PRO 18 -10.089 8.622 3.695 136 HG2 PRO 18 2HG PRO 18 -11.451 7.650 5.772 137 HG3 PRO 18 3HG PRO 18 -11.472 6.836 4.197 138 HD2 PRO 18 2HD PRO 18 -9.988 6.112 6.687 139 HD3 PRO 18 3HD PRO 18 -10.757 5.058 5.482 140 H VAL 19 H VAL 19 -6.660 7.504 2.608 141 HA VAL 19 HA VAL 19 -4.772 7.998 4.761 142 HB VAL 19 HB VAL 19 -3.053 8.008 3.003 143 HG11 VAL 19 1HG1 VAL 19 -4.950 5.673 2.811 144 HG12 VAL 19 2HG1 VAL 19 -3.703 5.898 4.036 145 HG13 VAL 19 3HG1 VAL 19 -3.248 5.663 2.349 146 HG21 VAL 19 3HG2 VAL 19 -4.351 8.989 1.193 147 HG22 VAL 19 1HG2 VAL 19 -5.357 7.543 1.113 148 HG23 VAL 19 2HG2 VAL 19 -3.647 7.450 0.694 149 H ALA 20 H ALA 20 -3.130 9.811 4.328 150 HA ALA 20 HA ALA 20 -4.713 12.248 4.065 151 HB1 ALA 20 3HB ALA 20 -2.951 13.334 5.313 152 HB2 ALA 20 1HB ALA 20 -1.954 11.880 5.219 153 HB3 ALA 20 2HB ALA 20 -3.454 11.861 6.146 154 H ASP 21 H ASP 21 -4.653 13.310 2.232 155 HA ASP 21 HA ASP 21 -2.828 12.942 0.134 156 HB2 ASP 21 2HB ASP 21 -5.020 13.902 -0.252 157 HB3 ASP 21 3HB ASP 21 -4.648 15.272 0.788 158 H GLU 22 H GLU 22 -2.969 15.343 2.697 159 HA GLU 22 HA GLU 22 -0.747 16.858 1.684 160 HB2 GLU 22 2HB GLU 22 -2.107 17.064 4.375 161 HB3 GLU 22 3HB GLU 22 -1.074 18.270 3.623 162 HG2 GLU 22 2HG GLU 22 -2.719 18.680 1.912 163 HG3 GLU 22 3HG GLU 22 -3.732 17.372 2.526 164 H ILE 23 H ILE 23 1.208 15.937 1.808 165 HA ILE 23 HA ILE 23 1.949 14.562 4.287 166 HB ILE 23 HB ILE 23 3.298 14.634 1.590 167 HG12 ILE 23 2HG1 ILE 23 1.288 13.242 1.700 168 HG13 ILE 23 3HG1 ILE 23 2.730 12.244 1.541 169 HG21 ILE 23 1HG2 ILE 23 4.890 13.008 2.509 170 HG22 ILE 23 2HG2 ILE 23 4.165 13.211 4.104 171 HG23 ILE 23 3HG2 ILE 23 4.993 14.565 3.332 172 HD11 ILE 23 3HD1 ILE 23 1.187 11.258 3.110 173 HD12 ILE 23 1HD1 ILE 23 1.174 12.739 4.068 174 HD13 ILE 23 2HD1 ILE 23 2.649 11.780 3.947 175 H ALA 24 H ALA 24 2.739 15.823 5.765 176 HA ALA 24 HA ALA 24 4.031 18.324 5.138 177 HB1 ALA 24 3HB ALA 24 2.488 18.122 7.040 178 HB2 ALA 24 1HB ALA 24 4.092 18.657 7.542 179 HB3 ALA 24 2HB ALA 24 3.598 16.983 7.803 180 H GLY 25 H GLY 25 5.925 17.697 4.072 181 HA2 GLY 25 2HA GLY 25 8.175 17.239 3.957 182 HA3 GLY 25 3HA GLY 25 8.198 17.379 5.709 183 H ASP 26 H ASP 26 8.553 15.618 6.870 184 HA ASP 26 HA ASP 26 8.412 13.007 5.539 185 HB2 ASP 26 2HB ASP 26 10.560 13.477 6.586 186 HB3 ASP 26 3HB ASP 26 9.769 13.853 8.111 187 H GLU 27 H GLU 27 6.216 12.701 5.631 188 HA GLU 27 HA GLU 27 5.005 12.588 8.307 189 HB2 GLU 27 2HB GLU 27 3.846 14.102 6.807 190 HB3 GLU 27 3HB GLU 27 3.733 12.857 5.575 191 HG2 GLU 27 2HG GLU 27 1.604 13.098 6.619 192 HG3 GLU 27 3HG GLU 27 2.286 11.545 7.096 193 H THR 28 H THR 28 4.199 10.706 9.076 194 HA THR 28 HA THR 28 4.575 8.331 7.372 195 HB THR 28 HB THR 28 4.592 8.402 10.395 196 HG1 THR 28 HG1 THR 28 6.408 9.453 8.959 197 HG21 THR 28 3HG2 THR 28 5.463 6.299 8.406 198 HG22 THR 28 1HG2 THR 28 4.026 6.232 9.424 199 HG23 THR 28 2HG2 THR 28 5.630 6.184 10.160 200 H VAL 29 H VAL 29 2.711 7.526 6.678 201 HA VAL 29 HA VAL 29 0.380 7.686 8.470 202 HB VAL 29 HB VAL 29 -1.058 7.671 6.437 203 HG11 VAL 29 1HG1 VAL 29 0.885 9.973 6.597 204 HG12 VAL 29 2HG1 VAL 29 -0.557 9.765 7.590 205 HG13 VAL 29 3HG1 VAL 29 -0.712 10.021 5.851 206 HG21 VAL 29 3HG2 VAL 29 -0.073 8.227 4.262 207 HG22 VAL 29 1HG2 VAL 29 0.534 6.683 4.865 208 HG23 VAL 29 2HG2 VAL 29 1.539 8.128 4.967 209 H GLU 30 H GLU 30 -0.794 5.864 8.796 210 HA GLU 30 HA GLU 30 0.346 3.403 7.746 211 HB2 GLU 30 2HB GLU 30 -1.031 2.239 9.382 212 HB3 GLU 30 3HB GLU 30 -0.103 3.511 10.159 213 HG2 GLU 30 2HG GLU 30 -2.017 4.900 10.362 214 HG3 GLU 30 3HG GLU 30 -2.971 3.841 9.325 215 H ILE 31 H ILE 31 -0.484 2.343 6.120 216 HA ILE 31 HA ILE 31 -3.126 3.080 5.126 217 HB ILE 31 HB ILE 31 -1.041 1.237 3.930 218 HG12 ILE 31 2HG1 ILE 31 -1.878 4.030 3.110 219 HG13 ILE 31 3HG1 ILE 31 -0.408 3.645 3.998 220 HG21 ILE 31 1HG2 ILE 31 -2.423 1.329 1.899 221 HG22 ILE 31 2HG2 ILE 31 -3.638 2.257 2.777 222 HG23 ILE 31 3HG2 ILE 31 -3.285 0.594 3.250 223 HD11 ILE 31 3HD1 ILE 31 0.399 2.337 2.113 224 HD12 ILE 31 1HD1 ILE 31 0.033 3.993 1.630 225 HD13 ILE 31 2HD1 ILE 31 -1.083 2.689 1.226 226 H ARG 32 H ARG 32 -4.542 2.154 6.475 227 HA ARG 32 HA ARG 32 -4.376 -0.622 7.236 228 HB2 ARG 32 2HB ARG 32 -5.328 0.934 8.810 229 HB3 ARG 32 3HB ARG 32 -6.467 1.527 7.615 230 HG2 ARG 32 2HG ARG 32 -7.584 -0.661 7.627 231 HG3 ARG 32 3HG ARG 32 -6.463 -1.201 8.878 232 HD2 ARG 32 2HD ARG 32 -8.195 1.243 9.183 233 HD3 ARG 32 3HD ARG 32 -8.723 -0.367 9.675 234 HE ARG 32 HE ARG 32 -6.903 -0.388 11.278 235 HH11 ARG 32 1HH1 ARG 32 -7.701 2.726 9.876 236 HH12 ARG 32 2HH1 ARG 32 -6.988 3.637 11.177 237 HH21 ARG 32 1HH2 ARG 32 -6.014 0.790 12.995 238 HH22 ARG 32 2HH2 ARG 32 -6.035 2.529 12.958 239 H LEU 33 H LEU 33 -4.874 -2.173 5.816 240 HA LEU 33 HA LEU 33 -6.993 -1.638 3.857 241 HB2 LEU 33 2HB LEU 33 -4.831 -1.166 2.802 242 HB3 LEU 33 3HB LEU 33 -4.261 -2.765 3.238 243 HG LEU 33 HG LEU 33 -5.938 -3.773 1.754 244 HD11 LEU 33 1HD1 LEU 33 -7.205 -2.351 0.207 245 HD12 LEU 33 2HD1 LEU 33 -6.622 -0.921 1.057 246 HD13 LEU 33 3HD1 LEU 33 -7.669 -2.074 1.887 247 HD21 LEU 33 3HD2 LEU 33 -4.965 -2.999 -0.377 248 HD22 LEU 33 1HD2 LEU 33 -3.747 -3.323 0.860 249 HD23 LEU 33 2HD2 LEU 33 -4.207 -1.661 0.486 250 H GLU 34 H GLU 34 -8.367 -3.261 3.602 251 HA GLU 34 HA GLU 34 -7.486 -5.989 4.134 252 HB2 GLU 34 2HB GLU 34 -8.531 -5.058 6.238 253 HB3 GLU 34 3HB GLU 34 -10.035 -4.898 5.338 254 HG2 GLU 34 2HG GLU 34 -9.801 -7.377 4.831 255 HG3 GLU 34 3HG GLU 34 -8.564 -7.399 6.081 256 H ILE 35 H ILE 35 -7.885 -6.946 2.236 257 HA ILE 35 HA ILE 35 -10.291 -6.307 0.741 258 HB ILE 35 HB ILE 35 -8.126 -8.356 0.210 259 HG12 ILE 35 2HG1 ILE 35 -7.818 -6.835 -1.852 260 HG13 ILE 35 3HG1 ILE 35 -8.777 -5.657 -0.967 261 HG21 ILE 35 1HG2 ILE 35 -10.540 -7.676 -1.462 262 HG22 ILE 35 2HG2 ILE 35 -10.235 -9.201 -0.627 263 HG23 ILE 35 3HG2 ILE 35 -9.201 -8.707 -1.968 264 HD11 ILE 35 3HD1 ILE 35 -6.412 -5.211 -0.723 265 HD12 ILE 35 1HD1 ILE 35 -6.155 -6.829 -0.071 266 HD13 ILE 35 2HD1 ILE 35 -7.121 -5.662 0.829 267 H LYS 36 H LYS 36 -12.071 -6.987 1.732 268 HA LYS 36 HA LYS 36 -12.062 -9.383 3.354 269 HB2 LYS 36 2HB LYS 36 -13.217 -7.142 3.886 270 HB3 LYS 36 3HB LYS 36 -14.447 -7.658 2.743 271 HG2 LYS 36 2HG LYS 36 -14.851 -9.661 4.099 272 HG3 LYS 36 3HG LYS 36 -13.643 -9.103 5.258 273 HD2 LYS 36 2HD LYS 36 -16.215 -7.705 4.530 274 HD3 LYS 36 3HD LYS 36 -15.865 -8.545 6.042 275 HE2 LYS 36 2HE LYS 36 -14.355 -6.134 5.036 276 HE3 LYS 36 3HE LYS 36 -15.681 -6.071 6.195 277 HZ1 LYS 36 3HZ LYS 36 -13.093 -7.497 6.586 278 HZ2 LYS 36 1HZ LYS 36 -14.377 -7.458 7.700 279 HZ3 LYS 36 2HZ LYS 36 -13.543 -6.031 7.309 280 HA PRO 37 HA PRO 37 -13.651 -11.585 -0.204 281 HB2 PRO 37 2HB PRO 37 -12.770 -14.013 0.528 282 HB3 PRO 37 3HB PRO 37 -11.686 -12.764 -0.091 283 HG2 PRO 37 2HG PRO 37 -12.017 -13.772 2.665 284 HG3 PRO 37 3HG PRO 37 -10.609 -13.015 1.906 285 HD2 PRO 37 2HD PRO 37 -12.548 -11.798 3.621 286 HD3 PRO 37 3HD PRO 37 -11.175 -11.022 2.810 287 H SER 38 H SER 38 -15.613 -12.413 -0.542 288 HA SER 38 HA SER 38 -17.251 -13.249 1.685 289 HB2 SER 38 2HB SER 38 -18.953 -13.518 -0.253 290 HB3 SER 38 3HB SER 38 -18.413 -11.894 0.173 291 HG SER 38 HG SER 38 -18.307 -12.149 -2.051 292 H GLY 39 H GLY 39 -14.928 -14.815 0.298 293 HA2 GLY 39 2HA GLY 39 -16.391 -17.373 0.177 294 HA3 GLY 39 3HA GLY 39 -15.051 -17.005 -0.902 295 H ASN 40 H ASN 40 -15.271 -19.219 0.947 296 HA ASN 40 HA ASN 40 -12.921 -18.623 2.613 297 HB2 ASN 40 2HB ASN 40 -14.882 -18.687 4.077 298 HB3 ASN 40 3HB ASN 40 -15.332 -20.262 3.435 299 HD21 ASN 40 1HD2 ASN 40 -12.027 -19.293 4.172 300 HD22 ASN 40 2HD2 ASN 40 -11.819 -20.388 5.498 301 H PHE 41 H PHE 41 -11.284 -19.807 1.921 302 HA PHE 41 HA PHE 41 -11.844 -22.542 0.970 303 HB2 PHE 41 2HB PHE 41 -9.664 -20.668 0.017 304 HB3 PHE 41 3HB PHE 41 -9.873 -22.334 -0.510 305 HD1 PHE 41 HD2 PHE 41 -11.912 -22.952 -1.820 306 HD2 PHE 41 HD1 PHE 41 -10.899 -18.916 -0.933 307 HE1 PHE 41 HE2 PHE 41 -13.411 -22.188 -3.614 308 HE2 PHE 41 HE1 PHE 41 -12.394 -18.144 -2.726 309 HZ PHE 41 HZ PHE 41 -13.652 -19.775 -4.069 310 H ILE 42 H ILE 42 -8.632 -21.215 1.408 311 HA ILE 42 HA ILE 42 -8.342 -22.608 3.971 312 HB ILE 42 HB ILE 42 -6.422 -22.953 1.655 313 HG12 ILE 42 2HG1 ILE 42 -8.217 -24.984 3.009 314 HG13 ILE 42 3HG1 ILE 42 -8.489 -24.291 1.413 315 HG21 ILE 42 1HG2 ILE 42 -6.336 -24.075 4.454 316 HG22 ILE 42 2HG2 ILE 42 -5.262 -22.843 3.792 317 HG23 ILE 42 3HG2 ILE 42 -5.221 -24.486 3.150 318 HD11 ILE 42 3HD1 ILE 42 -7.544 -26.509 1.243 319 HD12 ILE 42 1HD1 ILE 42 -6.165 -26.017 2.227 320 HD13 ILE 42 2HD1 ILE 42 -6.407 -25.307 0.632 321 H GLY 43 H GLY 43 -6.270 -20.915 1.607 322 HA2 GLY 43 2HA GLY 43 -5.896 -18.682 3.420 323 HA3 GLY 43 3HA GLY 43 -4.472 -19.690 3.193 324 H THR 44 H THR 44 -7.005 -18.150 1.227 325 HA THR 44 HA THR 44 -5.274 -17.904 -1.037 326 HB THR 44 HB THR 44 -7.944 -16.556 -0.580 327 HG1 THR 44 HG1 THR 44 -7.437 -19.058 -1.866 328 HG21 THR 44 3HG2 THR 44 -6.694 -15.668 -2.484 329 HG22 THR 44 1HG2 THR 44 -8.081 -16.605 -3.038 330 HG23 THR 44 2HG2 THR 44 -6.462 -17.301 -3.109 331 H VAL 45 H VAL 45 -3.717 -16.449 -1.174 332 HA VAL 45 HA VAL 45 -4.236 -13.669 -0.594 333 HB VAL 45 HB VAL 45 -3.522 -14.510 1.611 334 HG11 VAL 45 1HG1 VAL 45 -0.966 -15.266 0.209 335 HG12 VAL 45 2HG1 VAL 45 -2.132 -16.372 0.939 336 HG13 VAL 45 3HG1 VAL 45 -1.208 -15.263 1.954 337 HG21 VAL 45 3HG2 VAL 45 -3.020 -12.213 1.016 338 HG22 VAL 45 1HG2 VAL 45 -1.505 -12.719 0.266 339 HG23 VAL 45 2HG2 VAL 45 -1.728 -12.885 2.009 340 H TYR 46 H TYR 46 -2.133 -16.210 -1.716 341 HA TYR 46 HA TYR 46 -0.404 -16.317 -3.158 342 HB2 TYR 46 2HB TYR 46 -2.294 -15.648 -4.657 343 HB3 TYR 46 3HB TYR 46 -1.751 -13.983 -4.515 344 HD1 TYR 46 HD1 TYR 46 1.001 -16.273 -4.546 345 HD2 TYR 46 HD2 TYR 46 -1.763 -14.232 -7.048 346 HE1 TYR 46 HE1 TYR 46 2.511 -16.587 -6.467 347 HE2 TYR 46 HE2 TYR 46 -0.272 -14.539 -8.968 348 HH TYR 46 HH TYR 46 2.138 -14.891 -9.373 349 H THR 47 H THR 47 -0.331 -12.968 -4.087 350 HA THR 47 HA THR 47 1.701 -12.293 -2.132 351 HB THR 47 HB THR 47 3.354 -11.749 -4.038 352 HG1 THR 47 HG1 THR 47 1.438 -12.782 -5.480 353 HG21 THR 47 3HG2 THR 47 4.372 -13.982 -3.932 354 HG22 THR 47 1HG2 THR 47 2.880 -14.626 -3.247 355 HG23 THR 47 2HG2 THR 47 3.824 -13.439 -2.346 356 H LEU 48 H LEU 48 1.925 -10.139 -1.879 357 HA LEU 48 HA LEU 48 0.723 -8.402 -3.926 358 HB2 LEU 48 2HB LEU 48 0.527 -6.687 -2.236 359 HB3 LEU 48 3HB LEU 48 -0.215 -8.156 -1.647 360 HG LEU 48 HG LEU 48 2.160 -8.469 -0.492 361 HD11 LEU 48 1HD1 LEU 48 3.166 -6.475 -1.445 362 HD12 LEU 48 2HD1 LEU 48 3.014 -6.313 0.306 363 HD13 LEU 48 3HD1 LEU 48 1.882 -5.479 -0.760 364 HD21 LEU 48 3HD2 LEU 48 1.206 -7.428 1.510 365 HD22 LEU 48 1HD2 LEU 48 0.019 -8.411 0.650 366 HD23 LEU 48 2HD2 LEU 48 -0.024 -6.654 0.513 367 H ARG 49 H ARG 49 2.008 -6.997 -5.023 368 HA ARG 49 HA ARG 49 4.857 -7.040 -4.275 369 HB2 ARG 49 2HB ARG 49 4.372 -8.306 -6.348 370 HB3 ARG 49 3HB ARG 49 3.707 -6.844 -7.068 371 HG2 ARG 49 2HG ARG 49 5.738 -5.934 -7.438 372 HG3 ARG 49 3HG ARG 49 6.450 -6.646 -5.991 373 HD2 ARG 49 2HD ARG 49 7.497 -7.682 -7.834 374 HD3 ARG 49 3HD ARG 49 6.376 -8.861 -7.163 375 HE ARG 49 HE ARG 49 4.887 -8.372 -9.032 376 HH11 ARG 49 1HH1 ARG 49 8.210 -7.288 -9.266 377 HH12 ARG 49 2HH1 ARG 49 8.221 -7.260 -11.008 378 HH21 ARG 49 1HH2 ARG 49 4.914 -8.384 -11.347 379 HH22 ARG 49 2HH2 ARG 49 6.360 -7.890 -12.176 380 H TYR 50 H TYR 50 5.854 -5.167 -3.998 381 HA TYR 50 HA TYR 50 4.252 -2.743 -4.423 382 HB2 TYR 50 2HB TYR 50 4.797 -3.051 -2.107 383 HB3 TYR 50 3HB TYR 50 6.485 -3.370 -2.482 384 HD1 TYR 50 HD1 TYR 50 3.947 -0.659 -2.959 385 HD2 TYR 50 HD2 TYR 50 7.989 -1.668 -2.119 386 HE1 TYR 50 HE1 TYR 50 4.462 1.720 -2.604 387 HE2 TYR 50 HE2 TYR 50 8.515 0.707 -1.763 388 HH TYR 50 HH TYR 50 6.073 3.111 -1.506 389 H PHE 51 H PHE 51 5.016 -1.066 -5.597 390 HA PHE 51 HA PHE 51 7.818 -1.113 -6.450 391 HB2 PHE 51 2HB PHE 51 6.270 -2.058 -8.251 392 HB3 PHE 51 3HB PHE 51 5.588 -0.438 -8.374 393 HD1 PHE 51 HD2 PHE 51 8.686 -2.411 -8.761 394 HD2 PHE 51 HD1 PHE 51 6.695 1.257 -9.590 395 HE1 PHE 51 HE2 PHE 51 10.489 -1.786 -10.312 396 HE2 PHE 51 HE1 PHE 51 8.494 1.885 -11.145 397 HZ PHE 51 HZ PHE 51 10.395 0.365 -11.508 398 H GLN 52 H GLN 52 8.736 0.909 -6.663 399 HA GLN 52 HA GLN 52 7.047 3.201 -5.915 400 HB2 GLN 52 2HB GLN 52 8.486 2.327 -4.042 401 HB3 GLN 52 3HB GLN 52 9.894 2.724 -5.015 402 HG2 GLN 52 2HG GLN 52 9.221 5.081 -4.998 403 HG3 GLN 52 3HG GLN 52 7.838 4.665 -3.984 404 HE21 GLN 52 1HE2 GLN 52 8.220 3.944 -1.857 405 HE22 GLN 52 2HE2 GLN 52 9.701 4.316 -1.038 406 HA PRO 53 HA PRO 53 9.256 4.289 -9.738 407 HB2 PRO 53 2HB PRO 53 6.968 5.536 -10.791 408 HB3 PRO 53 3HB PRO 53 7.536 3.907 -11.150 409 HG2 PRO 53 2HG PRO 53 5.177 4.607 -9.776 410 HG3 PRO 53 3HG PRO 53 5.872 2.988 -9.931 411 HD2 PRO 53 2HD PRO 53 5.998 4.892 -7.661 412 HD3 PRO 53 3HD PRO 53 6.062 3.117 -7.659 413 H ASP 54 H ASP 54 6.748 6.488 -8.475 414 HA ASP 54 HA ASP 54 8.536 8.749 -9.064 415 HB2 ASP 54 2HB ASP 54 6.326 8.644 -10.239 416 HB3 ASP 54 3HB ASP 54 5.530 8.747 -8.674 417 H GLY 55 H GLY 55 9.612 9.362 -7.278 418 HA2 GLY 55 2HA GLY 55 9.313 10.785 -5.300 419 HA3 GLY 55 3HA GLY 55 8.001 9.718 -4.826 420 H LYS 56 H LYS 56 9.365 9.815 -2.796 421 HA LYS 56 HA LYS 56 11.169 7.513 -2.761 422 HB2 LYS 56 2HB LYS 56 12.488 9.647 -3.091 423 HB3 LYS 56 3HB LYS 56 11.911 10.166 -1.516 424 HG2 LYS 56 2HG LYS 56 13.043 8.280 -0.466 425 HG3 LYS 56 3HG LYS 56 13.586 7.717 -2.049 426 HD2 LYS 56 2HD LYS 56 14.780 9.866 -2.356 427 HD3 LYS 56 3HD LYS 56 14.309 10.332 -0.721 428 HE2 LYS 56 2HE LYS 56 15.519 8.407 0.175 429 HE3 LYS 56 3HE LYS 56 15.986 7.939 -1.462 430 HZ1 LYS 56 3HZ LYS 56 16.749 10.451 -0.070 431 HZ2 LYS 56 1HZ LYS 56 17.148 10.070 -1.672 432 HZ3 LYS 56 2HZ LYS 56 17.770 9.140 -0.404 433 H GLY 57 H GLY 57 11.341 6.530 -0.688 434 HA2 GLY 57 2HA GLY 57 10.598 7.366 1.764 435 HA3 GLY 57 3HA GLY 57 9.049 7.020 1.007 436 H SER 58 H SER 58 9.244 5.530 3.038 437 HA SER 58 HA SER 58 10.202 2.924 2.063 438 HB2 SER 58 2HB SER 58 10.746 2.383 4.472 439 HB3 SER 58 3HB SER 58 11.795 3.583 3.721 440 HG SER 58 HG SER 58 11.175 4.968 5.159 441 H LEU 59 H LEU 59 8.832 1.228 2.358 442 HA LEU 59 HA LEU 59 6.324 1.765 3.804 443 HB2 LEU 59 2HB LEU 59 6.018 1.614 1.356 444 HB3 LEU 59 3HB LEU 59 6.739 0.016 1.374 445 HG LEU 59 HG LEU 59 4.871 -0.834 2.704 446 HD11 LEU 59 1HD1 LEU 59 2.913 0.555 3.123 447 HD12 LEU 59 2HD1 LEU 59 3.748 1.949 2.440 448 HD13 LEU 59 3HD1 LEU 59 4.339 1.209 3.927 449 HD21 LEU 59 3HD2 LEU 59 4.719 -0.925 0.277 450 HD22 LEU 59 1HD2 LEU 59 3.999 0.684 0.248 451 HD23 LEU 59 2HD2 LEU 59 3.130 -0.658 0.994 452 H LYS 60 H LYS 60 6.107 0.581 5.559 453 HA LYS 60 HA LYS 60 7.596 -1.957 5.754 454 HB2 LYS 60 2HB LYS 60 6.759 -0.047 7.943 455 HB3 LYS 60 3HB LYS 60 7.579 -1.580 8.200 456 HG2 LYS 60 2HG LYS 60 9.530 -0.773 7.023 457 HG3 LYS 60 3HG LYS 60 8.702 0.742 6.648 458 HD2 LYS 60 2HD LYS 60 8.564 1.282 9.001 459 HD3 LYS 60 3HD LYS 60 9.290 -0.267 9.427 460 HE2 LYS 60 2HE LYS 60 11.342 0.384 8.252 461 HE3 LYS 60 3HE LYS 60 10.613 1.939 7.851 462 HZ1 LYS 60 3HZ LYS 60 10.548 2.533 10.134 463 HZ2 LYS 60 1HZ LYS 60 12.111 1.965 9.818 464 HZ3 LYS 60 2HZ LYS 60 10.996 0.976 10.632 465 H MET 61 H MET 61 6.604 -3.741 6.629 466 HA MET 61 HA MET 61 3.706 -3.781 6.655 467 HB2 MET 61 2HB MET 61 5.716 -5.973 7.245 468 HB3 MET 61 3HB MET 61 3.983 -6.200 7.064 469 HG2 MET 61 2HG MET 61 4.093 -5.538 4.746 470 HG3 MET 61 3HG MET 61 5.810 -5.173 4.906 471 HE1 MET 61 3HE MET 61 3.810 -8.261 6.403 472 HE2 MET 61 1HE MET 61 3.997 -9.414 5.084 473 HE3 MET 61 2HE MET 61 3.068 -7.934 4.838 474 H GLU 62 H GLU 62 2.869 -5.322 8.582 475 HA GLU 62 HA GLU 62 2.904 -3.787 10.921 476 HB2 GLU 62 2HB GLU 62 1.779 -6.350 10.046 477 HB3 GLU 62 3HB GLU 62 2.111 -6.275 11.770 478 HG2 GLU 62 2HG GLU 62 0.595 -4.089 10.404 479 HG3 GLU 62 3HG GLU 62 -0.207 -5.573 10.919 480 H ASP 63 H ASP 63 4.903 -6.460 9.903 481 HA ASP 63 HA ASP 63 6.072 -6.774 12.550 482 HB2 ASP 63 2HB ASP 63 6.602 -8.186 9.931 483 HB3 ASP 63 3HB ASP 63 7.462 -8.536 11.425 484 H GLY 64 H GLY 64 6.451 -4.553 10.233 485 HA2 GLY 64 2HA GLY 64 8.099 -2.888 10.205 486 HA3 GLY 64 3HA GLY 64 9.166 -3.957 11.103 487 H THR 65 H THR 65 8.089 -5.904 8.800 488 HA THR 65 HA THR 65 10.422 -5.984 7.287 489 HB THR 65 HB THR 65 7.666 -6.926 6.461 490 HG1 THR 65 HG1 THR 65 9.769 -8.306 7.834 491 HG21 THR 65 3HG2 THR 65 8.869 -8.529 5.052 492 HG22 THR 65 1HG2 THR 65 10.406 -7.811 5.540 493 HG23 THR 65 2HG2 THR 65 9.252 -6.867 4.596 494 H VAL 66 H VAL 66 11.175 -4.697 5.755 495 HA VAL 66 HA VAL 66 9.547 -2.559 4.697 496 HB VAL 66 HB VAL 66 12.423 -3.259 4.074 497 HG11 VAL 66 1HG1 VAL 66 12.593 -0.953 3.286 498 HG12 VAL 66 2HG1 VAL 66 10.876 -0.712 3.611 499 HG13 VAL 66 3HG1 VAL 66 11.387 -1.855 2.368 500 HG21 VAL 66 3HG2 VAL 66 13.007 -1.472 5.648 501 HG22 VAL 66 1HG2 VAL 66 12.150 -2.793 6.442 502 HG23 VAL 66 2HG2 VAL 66 11.303 -1.292 6.066 503 H LEU 67 H LEU 67 8.538 -2.558 2.812 504 HA LEU 67 HA LEU 67 8.765 -4.856 1.060 505 HB2 LEU 67 2HB LEU 67 7.049 -2.381 0.801 506 HB3 LEU 67 3HB LEU 67 6.893 -3.850 -0.146 507 HG LEU 67 HG LEU 67 6.366 -3.572 2.816 508 HD11 LEU 67 1HD1 LEU 67 4.628 -2.599 1.417 509 HD12 LEU 67 2HD1 LEU 67 4.059 -4.075 2.198 510 HD13 LEU 67 3HD1 LEU 67 4.517 -4.098 0.495 511 HD21 LEU 67 3HD2 LEU 67 6.098 -5.994 1.040 512 HD22 LEU 67 1HD2 LEU 67 5.661 -5.894 2.743 513 HD23 LEU 67 2HD2 LEU 67 7.351 -5.751 2.258 514 H LYS 68 H LYS 68 10.317 -4.900 -0.426 515 HA LYS 68 HA LYS 68 11.524 -2.419 -1.332 516 HB2 LYS 68 2HB LYS 68 12.943 -4.332 -0.654 517 HB3 LYS 68 3HB LYS 68 12.269 -5.277 -1.976 518 HG2 LYS 68 2HG LYS 68 13.306 -3.931 -3.607 519 HG3 LYS 68 3HG LYS 68 13.692 -2.672 -2.432 520 HD2 LYS 68 2HD LYS 68 14.860 -5.456 -2.480 521 HD3 LYS 68 3HD LYS 68 15.672 -3.990 -3.034 522 HE2 LYS 68 2HE LYS 68 15.375 -3.068 -0.715 523 HE3 LYS 68 3HE LYS 68 14.814 -4.667 -0.227 524 HZ1 LYS 68 3HZ LYS 68 16.961 -5.566 -1.000 525 HZ2 LYS 68 1HZ LYS 68 17.135 -4.454 0.270 526 HZ3 LYS 68 2HZ LYS 68 17.489 -3.983 -1.320 527 HA PRO 69 HA PRO 69 8.858 -2.174 -4.826 528 HB2 PRO 69 2HB PRO 69 10.327 -0.348 -6.240 529 HB3 PRO 69 3HB PRO 69 9.276 0.063 -4.880 530 HG2 PRO 69 2HG PRO 69 12.243 -0.338 -4.926 531 HG3 PRO 69 3HG PRO 69 11.296 0.911 -4.096 532 HD2 PRO 69 2HD PRO 69 12.274 -1.218 -2.793 533 HD3 PRO 69 3HD PRO 69 10.699 -0.511 -2.374 534 H ASN 70 H ASN 70 9.320 -4.353 -5.515 535 HA ASN 70 HA ASN 70 9.975 -4.701 -8.137 536 HB2 ASN 70 2HB ASN 70 12.316 -4.004 -7.439 537 HB3 ASN 70 3HB ASN 70 12.401 -5.487 -6.500 538 HD21 ASN 70 1HD2 ASN 70 13.971 -4.534 -8.803 539 HD22 ASN 70 2HD2 ASN 70 13.852 -5.789 -9.991 540 H ASP 71 H ASP 71 10.415 -6.129 -4.935 541 HA ASP 71 HA ASP 71 10.018 -8.804 -6.028 542 HB2 ASP 71 2HB ASP 71 11.871 -8.414 -4.448 543 HB3 ASP 71 3HB ASP 71 10.712 -7.928 -3.216 544 H ARG 72 H ARG 72 8.565 -10.309 -4.987 545 HA ARG 72 HA ARG 72 6.008 -9.014 -4.351 546 HB2 ARG 72 2HB ARG 72 4.968 -11.114 -4.947 547 HB3 ARG 72 3HB ARG 72 6.108 -10.687 -6.215 548 HG2 ARG 72 2HG ARG 72 7.745 -12.240 -5.252 549 HG3 ARG 72 3HG ARG 72 6.576 -12.684 -4.010 550 HD2 ARG 72 2HD ARG 72 5.029 -13.345 -5.914 551 HD3 ARG 72 3HD ARG 72 6.435 -13.197 -6.967 552 HE ARG 72 HE ARG 72 6.511 -14.966 -4.616 553 HH11 ARG 72 1HH1 ARG 72 6.763 -14.532 -8.095 554 HH12 ARG 72 2HH1 ARG 72 7.334 -16.149 -8.366 555 HH21 ARG 72 1HH2 ARG 72 7.232 -17.089 -5.001 556 HH22 ARG 72 2HH2 ARG 72 7.611 -17.591 -6.618 557 H TYR 73 H TYR 73 4.829 -9.603 -2.465 558 HA TYR 73 HA TYR 73 6.390 -11.135 -0.491 559 HB2 TYR 73 2HB TYR 73 4.935 -8.529 -0.135 560 HB3 TYR 73 3HB TYR 73 5.297 -9.577 1.231 561 HD1 TYR 73 HD1 TYR 73 7.617 -9.978 1.905 562 HD2 TYR 73 HD2 TYR 73 6.663 -7.238 -1.204 563 HE1 TYR 73 HE1 TYR 73 9.862 -8.999 2.093 564 HE2 TYR 73 HE2 TYR 73 8.911 -6.248 -1.026 565 HH TYR 73 HH TYR 73 10.724 -6.179 1.146 566 H LEU 74 H LEU 74 5.402 -12.820 0.302 567 HA LEU 74 HA LEU 74 2.478 -12.990 0.221 568 HB2 LEU 74 2HB LEU 74 3.782 -14.865 -0.739 569 HB3 LEU 74 3HB LEU 74 4.557 -15.110 0.811 570 HG LEU 74 HG LEU 74 1.581 -15.294 0.698 571 HD11 LEU 74 1HD1 LEU 74 3.445 -17.481 -0.214 572 HD12 LEU 74 2HD1 LEU 74 2.314 -16.596 -1.237 573 HD13 LEU 74 3HD1 LEU 74 1.708 -17.639 0.050 574 HD21 LEU 74 3HD2 LEU 74 1.973 -17.010 2.399 575 HD22 LEU 74 1HD2 LEU 74 2.738 -15.483 2.840 576 HD23 LEU 74 2HD2 LEU 74 3.714 -16.806 2.202 577 H LEU 75 H LEU 75 1.278 -13.318 2.112 578 HA LEU 75 HA LEU 75 2.764 -13.172 4.617 579 HB2 LEU 75 2HB LEU 75 1.079 -11.572 5.533 580 HB3 LEU 75 3HB LEU 75 2.170 -10.917 4.334 581 HG LEU 75 HG LEU 75 -0.657 -11.768 3.691 582 HD11 LEU 75 1HD1 LEU 75 0.403 -9.048 4.446 583 HD12 LEU 75 2HD1 LEU 75 -0.745 -10.024 5.366 584 HD13 LEU 75 3HD1 LEU 75 -1.202 -9.371 3.792 585 HD21 LEU 75 3HD2 LEU 75 0.863 -11.605 1.768 586 HD22 LEU 75 1HD2 LEU 75 1.282 -9.960 2.243 587 HD23 LEU 75 2HD2 LEU 75 -0.363 -10.340 1.736 588 H ASN 76 H ASN 76 -0.715 -13.026 4.074 589 HA ASN 76 HA ASN 76 -1.198 -15.781 4.490 590 HB2 ASN 76 2HB ASN 76 -0.451 -15.064 6.814 591 HB3 ASN 76 3HB ASN 76 -1.894 -14.063 6.884 592 HD21 ASN 76 1HD2 ASN 76 -3.456 -16.133 5.372 593 HD22 ASN 76 2HD2 ASN 76 -3.793 -17.367 6.537 594 H GLU 77 H GLU 77 -2.586 -12.591 5.251 595 HA GLU 77 HA GLU 77 -4.975 -13.364 3.712 596 HB2 GLU 77 2HB GLU 77 -4.954 -11.672 6.220 597 HB3 GLU 77 3HB GLU 77 -6.369 -12.173 5.305 598 HG2 GLU 77 2HG GLU 77 -6.070 -14.444 5.948 599 HG3 GLU 77 3HG GLU 77 -4.503 -14.088 6.674 600 H TRP 78 H TRP 78 -6.298 -11.306 3.196 601 HA TRP 78 HA TRP 78 -4.489 -9.289 2.142 602 HB2 TRP 78 2HB TRP 78 -7.486 -9.602 1.881 603 HB3 TRP 78 3HB TRP 78 -6.528 -8.368 1.073 604 HD1 TRP 78 HD1 TRP 78 -4.373 -9.664 -0.464 605 HE1 TRP 78 HE1 TRP 78 -4.749 -11.539 -2.208 606 HE3 TRP 78 HE3 TRP 78 -8.911 -11.368 1.159 607 HZ2 TRP 78 HZ2 TRP 78 -6.710 -13.469 -2.791 608 HZ3 TRP 78 HZ3 TRP 78 -9.969 -13.227 -0.054 609 HH2 TRP 78 HH2 TRP 78 -8.894 -14.258 -1.985 610 H LYS 79 H LYS 79 -5.473 -9.766 5.061 611 HA LYS 79 HA LYS 79 -6.372 -7.032 5.643 612 HB2 LYS 79 2HB LYS 79 -7.710 -8.918 6.557 613 HB3 LYS 79 3HB LYS 79 -6.287 -9.487 7.417 614 HG2 LYS 79 2HG LYS 79 -6.249 -7.376 8.686 615 HG3 LYS 79 3HG LYS 79 -7.728 -6.882 7.863 616 HD2 LYS 79 2HD LYS 79 -8.297 -7.796 10.016 617 HD3 LYS 79 3HD LYS 79 -8.850 -8.903 8.758 618 HE2 LYS 79 2HE LYS 79 -6.851 -10.280 9.109 619 HE3 LYS 79 3HE LYS 79 -6.322 -9.181 10.381 620 HZ1 LYS 79 3HZ LYS 79 -8.740 -10.906 10.393 621 HZ2 LYS 79 1HZ LYS 79 -8.425 -9.717 11.563 622 HZ3 LYS 79 2HZ LYS 79 -7.377 -11.036 11.394 623 H PHE 80 H PHE 80 -4.912 -5.615 6.415 624 HA PHE 80 HA PHE 80 -2.861 -6.268 8.249 625 HB2 PHE 80 2HB PHE 80 -0.904 -5.853 6.721 626 HB3 PHE 80 3HB PHE 80 -1.736 -7.380 6.451 627 HD1 PHE 80 HD1 PHE 80 -1.238 -3.967 5.132 628 HD2 PHE 80 HD2 PHE 80 -2.766 -7.864 4.373 629 HE1 PHE 80 HE1 PHE 80 -1.502 -3.398 2.753 630 HE2 PHE 80 HE2 PHE 80 -3.028 -7.303 1.993 631 HZ PHE 80 HZ PHE 80 -2.398 -5.067 1.180 632 H ARG 81 H ARG 81 -1.309 -4.474 8.559 633 HA ARG 81 HA ARG 81 -2.305 -1.882 7.572 634 HB2 ARG 81 2HB ARG 81 -1.115 -2.550 10.277 635 HB3 ARG 81 3HB ARG 81 -1.401 -0.912 9.705 636 HG2 ARG 81 2HG ARG 81 -3.760 -1.255 9.679 637 HG3 ARG 81 3HG ARG 81 -3.566 -2.979 10.000 638 HD2 ARG 81 2HD ARG 81 -4.231 -1.782 12.015 639 HD3 ARG 81 3HD ARG 81 -2.618 -2.471 12.191 640 HE ARG 81 HE ARG 81 -3.099 0.394 11.588 641 HH11 ARG 81 1HH1 ARG 81 -1.324 -2.155 13.208 642 HH12 ARG 81 2HH1 ARG 81 -0.289 -1.067 14.078 643 HH21 ARG 81 1HH2 ARG 81 -1.777 1.837 12.775 644 HH22 ARG 81 2HH2 ARG 81 -0.571 1.204 13.862 645 H LEU 82 H LEU 82 -0.831 -0.700 6.488 646 HA LEU 82 HA LEU 82 1.983 -1.565 6.656 647 HB2 LEU 82 2HB LEU 82 0.517 -0.224 4.382 648 HB3 LEU 82 3HB LEU 82 2.233 -0.574 4.394 649 HG LEU 82 HG LEU 82 0.020 -2.625 4.462 650 HD11 LEU 82 1HD1 LEU 82 0.198 -1.539 2.304 651 HD12 LEU 82 2HD1 LEU 82 0.821 -3.187 2.212 652 HD13 LEU 82 3HD1 LEU 82 1.938 -1.824 2.281 653 HD21 LEU 82 3HD2 LEU 82 1.787 -4.273 4.201 654 HD22 LEU 82 1HD2 LEU 82 2.022 -3.351 5.687 655 HD23 LEU 82 2HD2 LEU 82 3.007 -3.000 4.266 656 H TYR 83 H TYR 83 3.546 -0.068 7.063 657 HA TYR 83 HA TYR 83 2.601 2.649 7.677 658 HB2 TYR 83 2HB TYR 83 4.730 0.910 8.818 659 HB3 TYR 83 3HB TYR 83 5.017 2.645 8.802 660 HD1 TYR 83 HD1 TYR 83 2.736 0.006 10.053 661 HD2 TYR 83 HD2 TYR 83 3.940 4.078 10.332 662 HE1 TYR 83 HE1 TYR 83 1.404 0.256 12.108 663 HE2 TYR 83 HE2 TYR 83 2.612 4.339 12.379 664 HH TYR 83 HH TYR 83 0.760 3.328 13.514 665 H TYR 84 H TYR 84 2.918 3.987 6.002 666 HA TYR 84 HA TYR 84 5.412 3.669 4.479 667 HB2 TYR 84 2HB TYR 84 3.302 3.586 3.151 668 HB3 TYR 84 3HB TYR 84 2.953 5.236 3.667 669 HD1 TYR 84 HD2 TYR 84 5.639 3.246 2.002 670 HD2 TYR 84 HD1 TYR 84 3.675 7.006 2.334 671 HE1 TYR 84 HE2 TYR 84 7.017 4.119 0.163 672 HE2 TYR 84 HE1 TYR 84 5.048 7.887 0.494 673 HH TYR 84 HH TYR 84 7.237 7.412 -0.561 674 H THR 85 H THR 85 6.976 5.014 4.876 675 HA THR 85 HA THR 85 6.427 7.557 6.203 676 HB THR 85 HB THR 85 9.098 6.308 5.520 677 HG1 THR 85 HG1 THR 85 7.317 5.498 7.273 678 HG21 THR 85 3HG2 THR 85 8.339 8.528 7.426 679 HG22 THR 85 1HG2 THR 85 9.225 8.713 5.912 680 HG23 THR 85 2HG2 THR 85 9.952 7.835 7.258 681 H SER 86 H SER 86 5.894 9.155 4.861 682 HA SER 86 HA SER 86 6.977 9.242 2.152 683 HB2 SER 86 2HB SER 86 4.929 11.043 3.471 684 HB3 SER 86 3HB SER 86 5.288 10.944 1.749 685 HG SER 86 HG SER 86 4.175 8.893 3.367 686 H GLN 87 H GLN 87 8.871 10.277 1.891 687 HA GLN 87 HA GLN 87 9.326 12.706 3.469 688 HB2 GLN 87 2HB GLN 87 11.701 11.963 3.794 689 HB3 GLN 87 3HB GLN 87 10.494 11.055 4.690 690 HG2 GLN 87 2HG GLN 87 10.587 9.310 2.918 691 HG3 GLN 87 3HG GLN 87 11.926 10.196 2.189 692 HE21 GLN 87 1HE2 GLN 87 11.442 10.016 5.637 693 HE22 GLN 87 2HE2 GLN 87 12.810 8.998 5.970 694 H SER 88 H SER 88 8.688 12.088 0.579 695 HA SER 88 HA SER 88 10.971 13.103 -0.836 696 HB2 SER 88 2HB SER 88 8.118 13.273 -1.807 697 HB3 SER 88 3HB SER 88 9.597 13.137 -2.761 698 HG SER 88 HG SER 88 8.070 11.186 -1.580 699 H ASP 89 H ASP 89 8.290 14.351 0.917 700 HA ASP 89 HA ASP 89 7.843 16.372 1.809 701 HB2 ASP 89 2HB ASP 89 10.157 16.596 2.371 702 HB3 ASP 89 3HB ASP 89 10.575 17.047 0.721 703 H LYS 90 H LYS 90 9.499 17.185 -1.231 704 HA LYS 90 HA LYS 90 7.504 19.256 -1.685 705 HB2 LYS 90 2HB LYS 90 9.171 19.679 -3.697 706 HB3 LYS 90 3HB LYS 90 9.542 20.219 -2.064 707 HG2 LYS 90 2HG LYS 90 11.223 18.725 -1.805 708 HG3 LYS 90 3HG LYS 90 10.437 17.499 -2.796 709 HD2 LYS 90 2HD LYS 90 11.045 18.711 -4.812 710 HD3 LYS 90 3HD LYS 90 11.772 19.992 -3.840 711 HE2 LYS 90 2HE LYS 90 13.517 18.610 -3.117 712 HE3 LYS 90 3HE LYS 90 12.670 17.142 -3.596 713 HZ1 LYS 90 3HZ LYS 90 13.005 17.676 -5.885 714 HZ2 LYS 90 1HZ LYS 90 14.504 17.735 -5.094 715 HZ3 LYS 90 2HZ LYS 90 13.699 19.177 -5.501 716 H GLU 91 H GLU 91 9.127 16.932 -3.853 717 HA GLU 91 HA GLU 91 7.095 17.438 -5.822 718 HB2 GLU 91 2HB GLU 91 8.526 15.917 -7.242 719 HB3 GLU 91 3HB GLU 91 9.291 17.389 -6.664 720 HG2 GLU 91 2HG GLU 91 10.315 16.037 -4.832 721 HG3 GLU 91 3HG GLU 91 9.684 14.594 -5.628 722 H ALA 92 H ALA 92 6.476 15.830 -3.366 723 HA ALA 92 HA ALA 92 4.853 14.327 -2.884 724 HB1 ALA 92 3HB ALA 92 4.479 14.117 -5.865 725 HB2 ALA 92 1HB ALA 92 3.705 15.304 -4.814 726 HB3 ALA 92 2HB ALA 92 3.343 13.588 -4.625 727 H GLN 93 H GLN 93 4.071 12.007 -3.447 728 HA GLN 93 HA GLN 93 6.143 10.297 -4.523 729 HB2 GLN 93 2HB GLN 93 6.050 8.785 -2.500 730 HB3 GLN 93 3HB GLN 93 6.913 10.295 -2.268 731 HG2 GLN 93 2HG GLN 93 4.035 10.141 -1.522 732 HG3 GLN 93 3HG GLN 93 5.238 9.401 -0.470 733 HE21 GLN 93 1HE2 GLN 93 3.469 11.741 -0.100 734 HE22 GLN 93 2HE2 GLN 93 4.521 13.040 0.335 735 H THR 94 H THR 94 5.267 8.727 -5.650 736 HA THR 94 HA THR 94 2.415 8.088 -5.226 737 HB THR 94 HB THR 94 3.870 7.880 -7.864 738 HG1 THR 94 HG1 THR 94 3.860 10.085 -7.093 739 HG21 THR 94 3HG2 THR 94 0.939 8.083 -7.157 740 HG22 THR 94 1HG2 THR 94 1.783 6.611 -7.643 741 HG23 THR 94 2HG2 THR 94 1.601 7.942 -8.786 742 H ILE 95 H ILE 95 2.113 6.031 -4.587 743 HA ILE 95 HA ILE 95 4.244 4.088 -5.206 744 HB ILE 95 HB ILE 95 3.657 2.897 -3.146 745 HG12 ILE 95 2HG1 ILE 95 1.781 5.218 -2.617 746 HG13 ILE 95 3HG1 ILE 95 1.274 3.585 -3.035 747 HG21 ILE 95 1HG2 ILE 95 4.231 5.826 -2.728 748 HG22 ILE 95 2HG2 ILE 95 5.414 4.568 -3.087 749 HG23 ILE 95 3HG2 ILE 95 4.537 4.543 -1.559 750 HD11 ILE 95 3HD1 ILE 95 1.092 4.046 -0.639 751 HD12 ILE 95 1HD1 ILE 95 2.829 4.340 -0.571 752 HD13 ILE 95 2HD1 ILE 95 2.222 2.735 -0.978 753 H ASP 96 H ASP 96 3.717 2.100 -5.989 754 HA ASP 96 HA ASP 96 0.881 1.675 -6.663 755 HB2 ASP 96 2HB ASP 96 3.386 0.802 -8.105 756 HB3 ASP 96 3HB ASP 96 1.790 0.168 -8.482 757 H LEU 97 H LEU 97 -0.065 0.132 -5.563 758 HA LEU 97 HA LEU 97 1.534 -2.110 -4.550 759 HB2 LEU 97 2HB LEU 97 -1.284 -1.232 -3.902 760 HB3 LEU 97 3HB LEU 97 -0.524 -2.671 -3.252 761 HG LEU 97 HG LEU 97 0.405 0.162 -2.774 762 HD11 LEU 97 1HD1 LEU 97 -0.367 -0.206 -0.490 763 HD12 LEU 97 2HD1 LEU 97 -0.960 -1.805 -0.937 764 HD13 LEU 97 3HD1 LEU 97 -1.698 -0.363 -1.634 765 HD21 LEU 97 3HD2 LEU 97 1.928 -0.868 -1.149 766 HD22 LEU 97 1HD2 LEU 97 2.256 -1.419 -2.793 767 HD23 LEU 97 2HD2 LEU 97 1.390 -2.465 -1.669 768 H TYR 98 H TYR 98 1.730 -3.638 -6.055 769 HA TYR 98 HA TYR 98 -0.477 -4.254 -7.855 770 HB2 TYR 98 2HB TYR 98 2.337 -5.339 -7.636 771 HB3 TYR 98 3HB TYR 98 1.155 -5.943 -8.786 772 HD1 TYR 98 HD1 TYR 98 0.401 -4.520 -10.643 773 HD2 TYR 98 HD2 TYR 98 3.497 -3.272 -8.003 774 HE1 TYR 98 HE1 TYR 98 1.099 -2.821 -12.273 775 HE2 TYR 98 HE2 TYR 98 4.200 -1.562 -9.626 776 HH TYR 98 HH TYR 98 4.033 -1.231 -12.134 777 H PHE 99 H PHE 99 -2.045 -5.311 -6.724 778 HA PHE 99 HA PHE 99 -1.314 -7.576 -5.060 779 HB2 PHE 99 2HB PHE 99 -3.953 -6.296 -5.763 780 HB3 PHE 99 3HB PHE 99 -3.849 -7.805 -4.861 781 HD1 PHE 99 HD1 PHE 99 -2.987 -7.859 -2.610 782 HD2 PHE 99 HD2 PHE 99 -3.283 -4.195 -4.757 783 HE1 PHE 99 HE1 PHE 99 -2.676 -6.612 -0.514 784 HE2 PHE 99 HE2 PHE 99 -2.976 -2.943 -2.663 785 HZ PHE 99 HZ PHE 99 -2.669 -4.153 -0.541 786 H GLU 100 H GLU 100 -0.884 -9.432 -5.933 787 HA GLU 100 HA GLU 100 -2.271 -10.220 -8.409 788 HB2 GLU 100 2HB GLU 100 0.263 -9.843 -8.493 789 HB3 GLU 100 3HB GLU 100 0.411 -11.239 -7.438 790 HG2 GLU 100 2HG GLU 100 -0.611 -12.649 -9.123 791 HG3 GLU 100 3HG GLU 100 -0.830 -11.251 -10.179 792 H ASP 101 H ASP 101 -3.639 -11.889 -8.131 793 HA ASP 101 HA ASP 101 -3.285 -13.510 -5.697 794 HB2 ASP 101 2HB ASP 101 -5.826 -12.374 -6.853 795 HB3 ASP 101 3HB ASP 101 -5.818 -13.681 -5.673 796 H ASN 102 H ASN 102 -4.909 -15.414 -5.811 797 HA ASN 102 HA ASN 102 -3.993 -17.141 -7.848 798 HB2 ASN 102 2HB ASN 102 -6.187 -17.489 -5.793 799 HB3 ASN 102 3HB ASN 102 -5.581 -18.778 -6.827 800 HD21 ASN 102 1HD2 ASN 102 -4.936 -16.755 -4.082 801 HD22 ASN 102 2HD2 ASN 102 -3.544 -17.616 -3.521 802 H TRP 103 H TRP 103 -5.369 -18.357 -9.249 803 HA TRP 103 HA TRP 103 -6.959 -18.688 -10.832 804 HB2 TRP 103 2HB TRP 103 -8.571 -16.550 -9.421 805 HB3 TRP 103 3HB TRP 103 -9.166 -17.638 -10.669 806 HD1 TRP 103 HD1 TRP 103 -9.075 -17.288 -7.032 807 HE1 TRP 103 HE1 TRP 103 -9.647 -19.512 -5.870 808 HE3 TRP 103 HE3 TRP 103 -8.611 -20.450 -11.027 809 HZ2 TRP 103 HZ2 TRP 103 -9.871 -22.238 -6.548 810 HZ3 TRP 103 HZ3 TRP 103 -9.022 -22.852 -10.683 811 HH2 TRP 103 HH2 TRP 103 -9.639 -23.725 -8.488 812 H GLY 104 H GLY 104 -7.138 -15.179 -10.175 813 HA2 GLY 104 2HA GLY 104 -5.570 -14.319 -12.278 814 HA3 GLY 104 3HA GLY 104 -7.176 -14.546 -12.957 815 H ASN 105 H ASN 105 -5.601 -13.026 -10.141 816 HA ASN 105 HA ASN 105 -7.400 -10.735 -10.577 817 HB2 ASN 105 2HB ASN 105 -7.869 -12.004 -8.441 818 HB3 ASN 105 3HB ASN 105 -6.259 -11.537 -7.894 819 HD21 ASN 105 1HD2 ASN 105 -6.794 -10.192 -6.245 820 HD22 ASN 105 2HD2 ASN 105 -7.697 -8.725 -6.464 821 H LEU 106 H LEU 106 -6.408 -8.917 -11.058 822 HA LEU 106 HA LEU 106 -3.756 -8.404 -9.913 823 HB2 LEU 106 2HB LEU 106 -3.469 -9.007 -12.283 824 HB3 LEU 106 3HB LEU 106 -4.609 -7.757 -12.741 825 HG LEU 106 HG LEU 106 -3.062 -6.042 -11.867 826 HD11 LEU 106 1HD1 LEU 106 -1.928 -7.353 -10.169 827 HD12 LEU 106 2HD1 LEU 106 -0.758 -6.681 -11.305 828 HD13 LEU 106 3HD1 LEU 106 -1.215 -8.381 -11.411 829 HD21 LEU 106 3HD2 LEU 106 -1.807 -7.926 -13.857 830 HD22 LEU 106 1HD2 LEU 106 -1.397 -6.224 -13.636 831 HD23 LEU 106 2HD2 LEU 106 -2.996 -6.678 -14.228 832 H GLN 107 H GLN 107 -4.124 -6.845 -8.500 833 HA GLN 107 HA GLN 107 -5.959 -4.666 -9.267 834 HB2 GLN 107 2HB GLN 107 -6.797 -6.173 -7.435 835 HB3 GLN 107 3HB GLN 107 -5.420 -5.671 -6.466 836 HG2 GLN 107 2HG GLN 107 -7.162 -4.351 -5.701 837 HG3 GLN 107 3HG GLN 107 -6.282 -3.293 -6.802 838 HE21 GLN 107 1HE2 GLN 107 -7.224 -2.747 -8.798 839 HE22 GLN 107 2HE2 GLN 107 -8.914 -2.964 -9.087 840 H GLN 108 H GLN 108 -4.798 -2.914 -9.700 841 HA GLN 108 HA GLN 108 -2.317 -2.445 -8.209 842 HB2 GLN 108 2HB GLN 108 -2.002 -2.300 -10.580 843 HB3 GLN 108 3HB GLN 108 -3.407 -1.256 -10.760 844 HG2 GLN 108 2HG GLN 108 -2.228 0.501 -9.495 845 HG3 GLN 108 3HG GLN 108 -0.813 -0.546 -9.398 846 HE21 GLN 108 1HE2 GLN 108 0.461 -0.827 -11.193 847 HE22 GLN 108 2HE2 GLN 108 0.294 0.123 -12.625 848 H LEU 109 H LEU 109 -2.686 -1.399 -6.376 849 HA LEU 109 HA LEU 109 -4.588 0.835 -6.394 850 HB2 LEU 109 2HB LEU 109 -3.227 -0.573 -4.094 851 HB3 LEU 109 3HB LEU 109 -4.308 0.795 -3.923 852 HG LEU 109 HG LEU 109 -5.064 -1.921 -5.006 853 HD11 LEU 109 1HD1 LEU 109 -6.411 -2.084 -2.968 854 HD12 LEU 109 2HD1 LEU 109 -5.741 -0.551 -2.411 855 HD13 LEU 109 3HD1 LEU 109 -4.689 -1.954 -2.609 856 HD21 LEU 109 3HD2 LEU 109 -7.358 -1.060 -4.969 857 HD22 LEU 109 1HD2 LEU 109 -6.341 -0.144 -6.080 858 HD23 LEU 109 2HD2 LEU 109 -6.750 0.528 -4.502 859 H THR 110 H THR 110 -3.685 2.664 -7.006 860 HA THR 110 HA THR 110 -0.901 3.217 -6.276 861 HB THR 110 HB THR 110 -2.619 4.759 -8.232 862 HG1 THR 110 HG1 THR 110 -0.643 2.887 -9.029 863 HG21 THR 110 3HG2 THR 110 0.377 4.569 -7.867 864 HG22 THR 110 1HG2 THR 110 -0.637 5.939 -7.407 865 HG23 THR 110 2HG2 THR 110 -0.454 5.509 -9.107 866 H TYR 111 H TYR 111 -0.544 4.523 -4.609 867 HA TYR 111 HA TYR 111 -2.717 6.317 -3.762 868 HB2 TYR 111 2HB TYR 111 -0.440 5.095 -2.196 869 HB3 TYR 111 3HB TYR 111 -1.507 6.337 -1.549 870 HD1 TYR 111 HD2 TYR 111 -3.872 5.830 -1.109 871 HD2 TYR 111 HD1 TYR 111 -1.180 2.816 -2.434 872 HE1 TYR 111 HE2 TYR 111 -5.472 4.099 -0.408 873 HE2 TYR 111 HE1 TYR 111 -2.773 1.079 -1.737 874 HH TYR 111 HH TYR 111 -5.993 1.754 -0.951 875 H ASP 112 H ASP 112 -2.474 8.359 -4.224 876 HA ASP 112 HA ASP 112 0.183 9.408 -4.844 877 HB2 ASP 112 2HB ASP 112 -2.556 10.639 -5.266 878 HB3 ASP 112 3HB ASP 112 -1.032 11.337 -5.800 879 H PHE 113 H PHE 113 1.248 10.241 -3.162 880 HA PHE 113 HA PHE 113 -0.254 11.950 -1.274 881 HB2 PHE 113 2HB PHE 113 2.430 10.611 -0.839 882 HB3 PHE 113 3HB PHE 113 1.522 11.539 0.345 883 HD1 PHE 113 HD1 PHE 113 -0.769 10.634 1.039 884 HD2 PHE 113 HD2 PHE 113 2.167 8.322 -0.996 885 HE1 PHE 113 HE1 PHE 113 -1.841 8.571 1.835 886 HE2 PHE 113 HE2 PHE 113 1.095 6.252 -0.201 887 HZ PHE 113 HZ PHE 113 -0.911 6.377 1.220 888 H ASN 114 H ASN 114 0.530 14.074 -0.938 889 HA ASN 114 HA ASN 114 2.910 14.824 -2.444 890 HB2 ASN 114 2HB ASN 114 1.886 16.494 -3.792 891 HB3 ASN 114 3HB ASN 114 0.967 15.016 -4.022 892 HD21 ASN 114 1HD2 ASN 114 -0.485 15.289 -1.491 893 HD22 ASN 114 2HD2 ASN 114 -1.636 16.555 -1.736 894 H GLY 115 H GLY 115 3.549 17.082 -2.111 895 HA2 GLY 115 2HA GLY 115 2.448 18.380 0.268 896 HA3 GLY 115 3HA GLY 115 4.154 17.937 0.289 897 H LYS 116 H LYS 116 5.441 19.566 -0.187 898 HA LYS 116 HA LYS 116 6.328 21.437 -1.110 899 HB2 LYS 116 2HB LYS 116 6.154 19.971 -3.114 900 HB3 LYS 116 3HB LYS 116 4.609 20.718 -3.481 901 HG2 LYS 116 2HG LYS 116 5.747 22.895 -3.701 902 HG3 LYS 116 3HG LYS 116 7.290 22.085 -3.418 903 HD2 LYS 116 2HD LYS 116 6.961 22.351 -5.795 904 HD3 LYS 116 3HD LYS 116 6.845 20.638 -5.373 905 HE2 LYS 116 2HE LYS 116 4.364 20.919 -5.291 906 HE3 LYS 116 3HE LYS 116 4.581 22.543 -5.937 907 HZ1 LYS 116 3HZ LYS 116 4.142 21.240 -7.787 908 HZ2 LYS 116 1HZ LYS 116 5.105 19.950 -7.248 909 HZ3 LYS 116 2HZ LYS 116 5.837 21.369 -7.811 910 H LEU 117 H LEU 117 5.247 22.784 0.401 911 HA LEU 117 HA LEU 117 3.987 24.560 1.058 912 HB2 LEU 117 2HB LEU 117 3.664 24.955 -1.919 913 HB3 LEU 117 3HB LEU 117 3.238 26.135 -0.696 914 HG LEU 117 HG LEU 117 6.029 25.128 -1.260 915 HD11 LEU 117 1HD1 LEU 117 6.408 27.384 -2.126 916 HD12 LEU 117 2HD1 LEU 117 4.702 27.763 -1.878 917 HD13 LEU 117 3HD1 LEU 117 5.173 26.530 -3.048 918 HD21 LEU 117 3HD2 LEU 117 5.749 25.719 1.080 919 HD22 LEU 117 1HD2 LEU 117 5.037 27.267 0.623 920 HD23 LEU 117 2HD2 LEU 117 6.729 26.931 0.255 921 H GLU 118 H GLU 118 2.738 21.962 0.731 922 HA GLU 118 HA GLU 118 0.260 22.051 -0.525 923 HB2 GLU 118 2HB GLU 118 -0.357 20.141 0.806 924 HB3 GLU 118 3HB GLU 118 1.321 19.986 0.325 925 HG2 GLU 118 2HG GLU 118 0.302 20.783 3.046 926 HG3 GLU 118 3HG GLU 118 0.991 19.228 2.596 927 H HIS 119 H HIS 119 -1.531 23.136 -0.156 928 HA HIS 119 HA HIS 119 -1.505 25.016 2.032 929 HB2 HIS 119 2HB HIS 119 -2.234 25.429 -0.435 930 HB3 HIS 119 3HB HIS 119 -3.767 24.731 0.078 931 HD1 HIS 119 HD1 HIS 119 -1.736 27.795 0.236 932 HD2 HIS 119 HD2 HIS 119 -5.165 26.286 2.042 933 HE1 HIS 119 HE1 HIS 119 -2.871 29.776 1.308 934 HE2 HIS 119 HE2 HIS 119 -4.876 28.817 2.499 935 H HIS 120 H HIS 120 -2.236 24.453 3.936 936 HA HIS 120 HA HIS 120 -4.066 22.216 4.207 937 HB2 HIS 120 2HB HIS 120 -2.773 23.933 6.340 938 HB3 HIS 120 3HB HIS 120 -3.642 22.427 6.612 939 HD1 HIS 120 HD1 HIS 120 -2.459 20.214 5.691 940 HD2 HIS 120 HD2 HIS 120 -0.128 23.663 5.632 941 HE1 HIS 120 HE1 HIS 120 -0.084 19.427 5.428 942 HE2 HIS 120 HE2 HIS 120 1.252 21.539 5.087 943 H HIS 121 H HIS 121 -6.149 22.325 4.823 944 HA HIS 121 HA HIS 121 -7.306 25.015 5.210 945 HB2 HIS 121 2HB HIS 121 -8.549 22.650 3.777 946 HB3 HIS 121 3HB HIS 121 -9.333 24.199 4.059 947 HD1 HIS 121 HD1 HIS 121 -7.000 22.452 1.767 948 HD2 HIS 121 HD2 HIS 121 -8.313 26.338 2.483 949 HE1 HIS 121 HE1 HIS 121 -6.343 23.778 -0.265 950 HE2 HIS 121 HE2 HIS 121 -7.226 26.103 0.147 951 H HIS 122 H HIS 122 -8.794 21.856 5.266 952 HA HIS 122 HA HIS 122 -8.769 21.513 8.097 953 HB2 HIS 122 2HB HIS 122 -10.545 23.278 7.856 954 HB3 HIS 122 3HB HIS 122 -11.443 22.170 6.824 955 HD1 HIS 122 HD1 HIS 122 -12.724 20.232 7.984 956 HD2 HIS 122 HD2 HIS 122 -10.541 22.641 10.591 957 HE1 HIS 122 HE1 HIS 122 -13.508 19.627 10.296 958 HE2 HIS 122 HE2 HIS 122 -12.304 21.218 11.834 959 H HIS 123 H HIS 123 -8.374 19.380 8.056 960 HA HIS 123 HA HIS 123 -9.234 17.641 6.016 961 HB2 HIS 123 2HB HIS 123 -8.358 17.084 8.854 962 HB3 HIS 123 3HB HIS 123 -8.744 15.807 7.701 963 HD1 HIS 123 HD1 HIS 123 -6.023 15.407 8.409 964 HD2 HIS 123 HD2 HIS 123 -6.997 18.436 5.729 965 HE1 HIS 123 HE1 HIS 123 -3.901 15.926 7.166 966 HE2 HIS 123 HE2 HIS 123 -4.468 17.917 5.720 967 H HIS 124 H HIS 124 -11.017 16.465 5.724 968 HA HIS 124 HA HIS 124 -13.232 15.983 5.765 969 HB2 HIS 124 2HB HIS 124 -13.209 16.851 8.669 970 HB3 HIS 124 3HB HIS 124 -14.533 16.030 7.849 971 HD1 HIS 124 HD1 HIS 124 -13.750 13.561 6.826 972 HD2 HIS 124 HD2 HIS 124 -11.571 15.165 9.987 973 HE1 HIS 124 HE1 HIS 124 -12.514 11.625 7.856 974 HE2 HIS 124 HE2 HIS 124 -11.300 12.599 9.838 Start of MODEL 13 1 H1 MET 1 1H MET 1 -12.946 -36.919 -11.793 2 H2 MET 1 2H MET 1 -13.851 -35.668 -12.493 3 H3 MET 1 3H MET 1 -14.238 -36.234 -10.938 4 HA MET 1 HA MET 1 -12.243 -35.394 -10.027 5 HB2 MET 1 2HB MET 1 -11.595 -34.688 -12.892 6 HB3 MET 1 3HB MET 1 -10.744 -33.993 -11.521 7 HG2 MET 1 2HG MET 1 -9.476 -35.812 -12.453 8 HG3 MET 1 3HG MET 1 -10.036 -36.237 -10.837 9 HE1 MET 1 3HE MET 1 -10.016 -39.667 -12.767 10 HE2 MET 1 1HE MET 1 -9.424 -38.795 -11.354 11 HE3 MET 1 2HE MET 1 -8.885 -38.327 -12.966 12 H ASN 2 H ASN 2 -13.029 -33.839 -8.854 13 HA ASN 2 HA ASN 2 -13.956 -31.893 -8.170 14 HB2 ASN 2 2HB ASN 2 -13.130 -31.011 -10.935 15 HB3 ASN 2 3HB ASN 2 -13.896 -29.922 -9.785 16 HD21 ASN 2 1HD2 ASN 2 -12.116 -28.584 -9.676 17 HD22 ASN 2 2HD2 ASN 2 -10.655 -29.034 -8.870 18 H GLU 3 H GLU 3 -16.003 -32.818 -7.904 19 HA GLU 3 HA GLU 3 -17.976 -32.590 -10.006 20 HB2 GLU 3 2HB GLU 3 -17.843 -33.738 -7.323 21 HB3 GLU 3 3HB GLU 3 -19.370 -32.930 -7.642 22 HG2 GLU 3 2HG GLU 3 -19.500 -35.287 -8.177 23 HG3 GLU 3 3HG GLU 3 -19.701 -34.301 -9.623 24 H LEU 4 H LEU 4 -17.197 -30.245 -10.149 25 HA LEU 4 HA LEU 4 -17.443 -28.024 -9.865 26 HB2 LEU 4 2HB LEU 4 -20.139 -28.881 -8.818 27 HB3 LEU 4 3HB LEU 4 -19.689 -27.212 -9.113 28 HG LEU 4 HG LEU 4 -19.894 -29.398 -11.184 29 HD11 LEU 4 1HD1 LEU 4 -22.046 -28.579 -10.409 30 HD12 LEU 4 2HD1 LEU 4 -21.728 -28.042 -12.059 31 HD13 LEU 4 3HD1 LEU 4 -21.536 -26.919 -10.712 32 HD21 LEU 4 3HD2 LEU 4 -19.400 -27.675 -12.821 33 HD22 LEU 4 1HD2 LEU 4 -18.063 -27.838 -11.683 34 HD23 LEU 4 2HD2 LEU 4 -19.187 -26.487 -11.534 35 H ASP 5 H ASP 5 -15.723 -28.248 -8.286 36 HA ASP 5 HA ASP 5 -16.529 -27.943 -5.499 37 HB2 ASP 5 2HB ASP 5 -13.836 -28.260 -6.821 38 HB3 ASP 5 3HB ASP 5 -14.022 -27.912 -5.104 39 H ILE 6 H ILE 6 -15.839 -26.072 -8.185 40 HA ILE 6 HA ILE 6 -14.844 -23.794 -6.700 41 HB ILE 6 HB ILE 6 -14.930 -22.625 -8.914 42 HG12 ILE 6 2HG1 ILE 6 -15.640 -25.382 -9.949 43 HG13 ILE 6 3HG1 ILE 6 -16.723 -23.993 -9.928 44 HG21 ILE 6 1HG2 ILE 6 -13.378 -25.207 -8.824 45 HG22 ILE 6 2HG2 ILE 6 -12.894 -23.678 -8.090 46 HG23 ILE 6 3HG2 ILE 6 -13.009 -23.817 -9.845 47 HD11 ILE 6 3HD1 ILE 6 -15.239 -22.817 -11.469 48 HD12 ILE 6 1HD1 ILE 6 -15.788 -24.354 -12.138 49 HD13 ILE 6 2HD1 ILE 6 -14.157 -24.209 -11.485 50 H GLN 7 H GLN 7 -16.084 -22.280 -5.839 51 HA GLN 7 HA GLN 7 -18.879 -22.074 -6.726 52 HB2 GLN 7 2HB GLN 7 -17.613 -21.036 -4.182 53 HB3 GLN 7 3HB GLN 7 -19.319 -20.947 -4.600 54 HG2 GLN 7 2HG GLN 7 -19.391 -23.425 -4.609 55 HG3 GLN 7 3HG GLN 7 -17.720 -23.432 -4.045 56 HE21 GLN 7 1HE2 GLN 7 -18.203 -24.429 -2.120 57 HE22 GLN 7 2HE2 GLN 7 -19.047 -23.634 -0.835 58 H GLN 8 H GLN 8 -19.659 -20.109 -7.443 59 HA GLN 8 HA GLN 8 -17.618 -18.268 -8.334 60 HB2 GLN 8 2HB GLN 8 -20.613 -18.218 -8.761 61 HB3 GLN 8 3HB GLN 8 -19.453 -17.149 -9.542 62 HG2 GLN 8 2HG GLN 8 -19.615 -20.140 -9.856 63 HG3 GLN 8 3HG GLN 8 -20.116 -18.932 -11.038 64 HE21 GLN 8 1HE2 GLN 8 -18.150 -21.071 -11.259 65 HE22 GLN 8 2HE2 GLN 8 -16.652 -20.314 -11.688 66 H GLU 9 H GLU 9 -17.032 -17.688 -6.131 67 HA GLU 9 HA GLU 9 -18.861 -15.745 -4.916 68 HB2 GLU 9 2HB GLU 9 -16.347 -16.971 -3.760 69 HB3 GLU 9 3HB GLU 9 -17.482 -15.928 -2.909 70 HG2 GLU 9 2HG GLU 9 -19.245 -17.659 -3.344 71 HG3 GLU 9 3HG GLU 9 -17.965 -18.716 -3.934 72 H TYR 10 H TYR 10 -18.563 -14.012 -6.206 73 HA TYR 10 HA TYR 10 -15.890 -13.109 -6.864 74 HB2 TYR 10 2HB TYR 10 -18.627 -12.439 -7.837 75 HB3 TYR 10 3HB TYR 10 -17.312 -11.302 -8.111 76 HD1 TYR 10 HD2 TYR 10 -18.627 -14.634 -8.921 77 HD2 TYR 10 HD1 TYR 10 -15.518 -11.816 -9.627 78 HE1 TYR 10 HE2 TYR 10 -17.908 -15.926 -10.888 79 HE2 TYR 10 HE1 TYR 10 -14.789 -13.098 -11.591 80 HH TYR 10 HH TYR 10 -16.658 -15.682 -12.915 81 HA PRO 11 HA PRO 11 -17.735 -9.208 -4.571 82 HB2 PRO 11 2HB PRO 11 -19.044 -9.817 -2.237 83 HB3 PRO 11 3HB PRO 11 -19.848 -9.454 -3.770 84 HG2 PRO 11 2HG PRO 11 -19.223 -12.109 -2.537 85 HG3 PRO 11 3HG PRO 11 -20.702 -11.575 -3.360 86 HD2 PRO 11 2HD PRO 11 -18.897 -13.111 -4.602 87 HD3 PRO 11 3HD PRO 11 -19.773 -11.831 -5.467 88 H PHE 12 H PHE 12 -15.332 -9.621 -4.340 89 HA PHE 12 HA PHE 12 -14.693 -9.779 -1.484 90 HB2 PHE 12 2HB PHE 12 -12.359 -9.910 -2.098 91 HB3 PHE 12 3HB PHE 12 -13.249 -11.097 -3.036 92 HD1 PHE 12 HD1 PHE 12 -13.773 -10.569 -5.457 93 HD2 PHE 12 HD2 PHE 12 -11.031 -8.292 -3.132 94 HE1 PHE 12 HE1 PHE 12 -12.760 -9.687 -7.519 95 HE2 PHE 12 HE2 PHE 12 -10.021 -7.402 -5.189 96 HZ PHE 12 HZ PHE 12 -10.886 -8.098 -7.386 97 H THR 13 H THR 13 -14.585 -7.966 -0.374 98 HA THR 13 HA THR 13 -14.706 -5.452 -1.872 99 HB THR 13 HB THR 13 -15.289 -5.915 1.060 100 HG1 THR 13 HG1 THR 13 -17.383 -5.491 -0.738 101 HG21 THR 13 3HG2 THR 13 -16.492 -3.793 0.900 102 HG22 THR 13 1HG2 THR 13 -16.039 -3.654 -0.800 103 HG23 THR 13 2HG2 THR 13 -14.799 -3.586 0.452 104 H VAL 14 H VAL 14 -13.048 -4.113 -1.896 105 HA VAL 14 HA VAL 14 -10.750 -4.609 -0.199 106 HB VAL 14 HB VAL 14 -11.135 -2.508 -2.340 107 HG11 VAL 14 1HG1 VAL 14 -9.417 -1.882 -0.747 108 HG12 VAL 14 2HG1 VAL 14 -8.682 -2.334 -2.286 109 HG13 VAL 14 3HG1 VAL 14 -8.647 -3.457 -0.928 110 HG21 VAL 14 3HG2 VAL 14 -9.766 -5.192 -2.484 111 HG22 VAL 14 1HG2 VAL 14 -9.768 -3.970 -3.757 112 HG23 VAL 14 2HG2 VAL 14 -11.276 -4.747 -3.279 113 H GLU 15 H GLU 15 -10.607 -3.694 1.707 114 HA GLU 15 HA GLU 15 -12.241 -1.320 2.298 115 HB2 GLU 15 2HB GLU 15 -10.930 -3.319 4.161 116 HB3 GLU 15 3HB GLU 15 -11.966 -1.986 4.654 117 HG2 GLU 15 2HG GLU 15 -13.050 -3.962 2.729 118 HG3 GLU 15 3HG GLU 15 -12.865 -4.450 4.414 119 H SER 16 H SER 16 -11.230 0.563 2.624 120 HA SER 16 HA SER 16 -8.431 0.545 3.447 121 HB2 SER 16 2HB SER 16 -7.904 2.223 1.634 122 HB3 SER 16 3HB SER 16 -8.203 0.582 1.064 123 HG SER 16 HG SER 16 -10.358 2.366 1.211 124 H MET 17 H MET 17 -8.404 1.745 5.193 125 HA MET 17 HA MET 17 -10.243 3.914 5.607 126 HB2 MET 17 2HB MET 17 -7.781 3.100 7.167 127 HB3 MET 17 3HB MET 17 -8.955 4.301 7.683 128 HG2 MET 17 2HG MET 17 -10.693 2.593 7.732 129 HG3 MET 17 3HG MET 17 -9.521 1.384 7.211 130 HE1 MET 17 3HE MET 17 -10.189 0.379 10.929 131 HE2 MET 17 1HE MET 17 -10.114 -0.189 9.261 132 HE3 MET 17 2HE MET 17 -11.342 0.983 9.740 133 HA PRO 18 HA PRO 18 -8.269 6.814 3.037 134 HB2 PRO 18 2HB PRO 18 -9.175 8.781 5.082 135 HB3 PRO 18 3HB PRO 18 -9.427 8.775 3.332 136 HG2 PRO 18 2HG PRO 18 -11.402 8.097 4.972 137 HG3 PRO 18 3HG PRO 18 -11.145 7.218 3.452 138 HD2 PRO 18 2HD PRO 18 -10.487 6.406 6.247 139 HD3 PRO 18 3HD PRO 18 -11.069 5.419 4.891 140 H VAL 19 H VAL 19 -6.127 6.854 3.025 141 HA VAL 19 HA VAL 19 -4.533 7.531 5.285 142 HB VAL 19 HB VAL 19 -2.783 7.909 3.280 143 HG11 VAL 19 1HG1 VAL 19 -2.573 6.245 5.033 144 HG12 VAL 19 2HG1 VAL 19 -2.243 5.513 3.464 145 HG13 VAL 19 3HG1 VAL 19 -3.794 5.238 4.257 146 HG21 VAL 19 3HG2 VAL 19 -4.572 7.641 1.552 147 HG22 VAL 19 1HG2 VAL 19 -4.783 5.978 2.097 148 HG23 VAL 19 2HG2 VAL 19 -3.250 6.489 1.391 149 H ALA 20 H ALA 20 -4.320 9.244 2.185 150 HA ALA 20 HA ALA 20 -4.346 11.442 1.626 151 HB1 ALA 20 3HB ALA 20 -6.228 12.716 2.456 152 HB2 ALA 20 1HB ALA 20 -6.420 11.602 3.810 153 HB3 ALA 20 2HB ALA 20 -6.724 11.051 2.165 154 H ASP 21 H ASP 21 -5.017 13.655 3.425 155 HA ASP 21 HA ASP 21 -4.300 14.953 5.145 156 HB2 ASP 21 2HB ASP 21 -4.236 12.892 6.512 157 HB3 ASP 21 3HB ASP 21 -2.587 12.602 5.976 158 H GLU 22 H GLU 22 -2.401 13.734 2.721 159 HA GLU 22 HA GLU 22 -0.506 14.368 1.659 160 HB2 GLU 22 2HB GLU 22 -1.113 16.925 3.136 161 HB3 GLU 22 3HB GLU 22 0.280 16.773 2.076 162 HG2 GLU 22 2HG GLU 22 -1.490 17.809 0.865 163 HG3 GLU 22 3HG GLU 22 -1.249 16.187 0.222 164 H ILE 23 H ILE 23 1.029 13.036 2.356 165 HA ILE 23 HA ILE 23 2.141 13.273 4.999 166 HB ILE 23 HB ILE 23 1.765 11.063 4.031 167 HG12 ILE 23 2HG1 ILE 23 4.724 11.586 4.359 168 HG13 ILE 23 3HG1 ILE 23 3.586 11.444 5.695 169 HG21 ILE 23 1HG2 ILE 23 2.153 11.576 1.690 170 HG22 ILE 23 2HG2 ILE 23 3.159 10.222 2.206 171 HG23 ILE 23 3HG2 ILE 23 3.869 11.824 2.015 172 HD11 ILE 23 3HD1 ILE 23 4.248 9.301 3.690 173 HD12 ILE 23 1HD1 ILE 23 3.086 9.152 5.009 174 HD13 ILE 23 2HD1 ILE 23 4.797 9.380 5.365 175 H ALA 24 H ALA 24 4.066 14.097 5.565 176 HA ALA 24 HA ALA 24 5.494 15.615 3.509 177 HB1 ALA 24 3HB ALA 24 4.638 16.899 5.400 178 HB2 ALA 24 1HB ALA 24 6.401 16.926 5.366 179 HB3 ALA 24 2HB ALA 24 5.558 15.886 6.514 180 H GLY 25 H GLY 25 7.934 15.905 4.132 181 HA2 GLY 25 2HA GLY 25 9.206 13.388 3.940 182 HA3 GLY 25 3HA GLY 25 10.009 14.919 4.262 183 H ASP 26 H ASP 26 10.108 12.054 5.408 184 HA ASP 26 HA ASP 26 10.607 11.077 7.393 185 HB2 ASP 26 2HB ASP 26 12.071 13.084 7.659 186 HB3 ASP 26 3HB ASP 26 10.753 13.893 8.499 187 H GLU 27 H GLU 27 7.873 11.663 6.617 188 HA GLU 27 HA GLU 27 6.608 11.511 9.273 189 HB2 GLU 27 2HB GLU 27 5.888 13.476 7.943 190 HB3 GLU 27 3HB GLU 27 5.374 12.403 6.652 191 HG2 GLU 27 2HG GLU 27 3.504 13.205 8.011 192 HG3 GLU 27 3HG GLU 27 3.670 11.451 8.067 193 H THR 28 H THR 28 4.826 9.970 9.447 194 HA THR 28 HA THR 28 4.978 7.796 7.457 195 HB THR 28 HB THR 28 4.855 7.365 10.451 196 HG1 THR 28 HG1 THR 28 6.921 7.973 10.138 197 HG21 THR 28 3HG2 THR 28 3.829 5.586 9.113 198 HG22 THR 28 1HG2 THR 28 5.316 5.028 9.879 199 HG23 THR 28 2HG2 THR 28 5.308 5.441 8.164 200 H VAL 29 H VAL 29 3.011 7.437 6.640 201 HA VAL 29 HA VAL 29 0.661 8.035 8.297 202 HB VAL 29 HB VAL 29 -0.649 7.870 6.185 203 HG11 VAL 29 1HG1 VAL 29 1.616 9.856 6.144 204 HG12 VAL 29 2HG1 VAL 29 0.094 10.030 7.019 205 HG13 VAL 29 3HG1 VAL 29 0.101 10.001 5.255 206 HG21 VAL 29 3HG2 VAL 29 2.072 7.643 4.903 207 HG22 VAL 29 1HG2 VAL 29 0.561 7.927 4.040 208 HG23 VAL 29 2HG2 VAL 29 0.809 6.412 4.908 209 H GLU 30 H GLU 30 -1.016 6.532 8.553 210 HA GLU 30 HA GLU 30 -0.125 3.760 8.399 211 HB2 GLU 30 2HB GLU 30 -2.589 4.995 9.635 212 HB3 GLU 30 3HB GLU 30 -2.214 3.281 9.669 213 HG2 GLU 30 2HG GLU 30 -0.077 3.902 10.855 214 HG3 GLU 30 3HG GLU 30 -0.755 5.522 11.024 215 H ILE 31 H ILE 31 -0.406 2.871 6.447 216 HA ILE 31 HA ILE 31 -2.823 3.346 4.928 217 HB ILE 31 HB ILE 31 -0.613 1.331 4.468 218 HG12 ILE 31 2HG1 ILE 31 -1.127 3.986 3.117 219 HG13 ILE 31 3HG1 ILE 31 0.106 3.713 4.338 220 HG21 ILE 31 1HG2 ILE 31 -2.726 0.664 3.432 221 HG22 ILE 31 2HG2 ILE 31 -1.533 1.122 2.216 222 HG23 ILE 31 3HG2 ILE 31 -2.833 2.235 2.638 223 HD11 ILE 31 3HD1 ILE 31 1.242 2.153 2.867 224 HD12 ILE 31 1HD1 ILE 31 1.031 3.718 2.083 225 HD13 ILE 31 2HD1 ILE 31 -0.016 2.367 1.650 226 H ARG 32 H ARG 32 -4.558 2.597 5.954 227 HA ARG 32 HA ARG 32 -4.489 -0.005 7.270 228 HB2 ARG 32 2HB ARG 32 -6.487 2.259 7.236 229 HB3 ARG 32 3HB ARG 32 -6.812 0.715 8.011 230 HG2 ARG 32 2HG ARG 32 -5.525 1.190 9.784 231 HG3 ARG 32 3HG ARG 32 -4.284 1.963 8.799 232 HD2 ARG 32 2HD ARG 32 -6.929 3.292 9.317 233 HD3 ARG 32 3HD ARG 32 -5.593 3.423 10.462 234 HE ARG 32 HE ARG 32 -4.497 4.128 8.062 235 HH11 ARG 32 1HH1 ARG 32 -7.265 5.273 9.893 236 HH12 ARG 32 2HH1 ARG 32 -7.092 6.911 9.348 237 HH21 ARG 32 1HH2 ARG 32 -4.284 6.270 7.350 238 HH22 ARG 32 2HH2 ARG 32 -5.397 7.488 7.900 239 H LEU 33 H LEU 33 -4.790 -1.657 5.888 240 HA LEU 33 HA LEU 33 -6.852 -1.367 3.809 241 HB2 LEU 33 2HB LEU 33 -4.599 -1.001 2.878 242 HB3 LEU 33 3HB LEU 33 -4.109 -2.576 3.466 243 HG LEU 33 HG LEU 33 -5.793 -3.617 1.963 244 HD11 LEU 33 1HD1 LEU 33 -6.783 -2.280 0.186 245 HD12 LEU 33 2HD1 LEU 33 -6.083 -0.820 0.882 246 HD13 LEU 33 3HD1 LEU 33 -7.318 -1.715 1.768 247 HD21 LEU 33 3HD2 LEU 33 -3.472 -3.457 1.283 248 HD22 LEU 33 1HD2 LEU 33 -3.750 -1.833 0.653 249 HD23 LEU 33 2HD2 LEU 33 -4.532 -3.217 -0.106 250 H GLU 34 H GLU 34 -8.213 -2.996 3.649 251 HA GLU 34 HA GLU 34 -7.481 -5.632 4.749 252 HB2 GLU 34 2HB GLU 34 -10.115 -4.184 5.075 253 HB3 GLU 34 3HB GLU 34 -9.849 -5.869 5.488 254 HG2 GLU 34 2HG GLU 34 -8.174 -5.172 7.144 255 HG3 GLU 34 3HG GLU 34 -8.534 -3.487 6.761 256 H ILE 35 H ILE 35 -8.136 -7.349 3.502 257 HA ILE 35 HA ILE 35 -9.855 -6.715 1.192 258 HB ILE 35 HB ILE 35 -7.855 -8.982 1.424 259 HG12 ILE 35 2HG1 ILE 35 -6.900 -7.707 -0.649 260 HG13 ILE 35 3HG1 ILE 35 -7.790 -6.336 0.001 261 HG21 ILE 35 1HG2 ILE 35 -8.401 -9.414 -0.936 262 HG22 ILE 35 2HG2 ILE 35 -9.663 -8.183 -0.852 263 HG23 ILE 35 3HG2 ILE 35 -9.788 -9.644 0.129 264 HD11 ILE 35 3HD1 ILE 35 -5.648 -7.881 1.445 265 HD12 ILE 35 1HD1 ILE 35 -6.523 -6.485 2.074 266 HD13 ILE 35 2HD1 ILE 35 -5.456 -6.304 0.680 267 H LYS 36 H LYS 36 -11.867 -7.234 1.747 268 HA LYS 36 HA LYS 36 -12.323 -9.569 3.462 269 HB2 LYS 36 2HB LYS 36 -14.076 -7.238 2.703 270 HB3 LYS 36 3HB LYS 36 -14.678 -8.640 3.570 271 HG2 LYS 36 2HG LYS 36 -12.939 -8.153 5.334 272 HG3 LYS 36 3HG LYS 36 -12.661 -6.618 4.506 273 HD2 LYS 36 2HD LYS 36 -14.951 -5.962 4.840 274 HD3 LYS 36 3HD LYS 36 -15.351 -7.546 5.504 275 HE2 LYS 36 2HE LYS 36 -15.148 -6.105 7.357 276 HE3 LYS 36 3HE LYS 36 -13.671 -7.061 7.327 277 HZ1 LYS 36 3HZ LYS 36 -12.449 -5.247 6.500 278 HZ2 LYS 36 1HZ LYS 36 -13.398 -4.627 7.754 279 HZ3 LYS 36 2HZ LYS 36 -13.846 -4.347 6.144 280 HA PRO 37 HA PRO 37 -13.648 -11.406 -0.442 281 HB2 PRO 37 2HB PRO 37 -12.878 -13.896 0.078 282 HB3 PRO 37 3HB PRO 37 -11.684 -12.628 -0.223 283 HG2 PRO 37 2HG PRO 37 -12.529 -13.864 2.355 284 HG3 PRO 37 3HG PRO 37 -10.923 -13.316 1.846 285 HD2 PRO 37 2HD PRO 37 -12.735 -11.895 3.458 286 HD3 PRO 37 3HD PRO 37 -11.290 -11.233 2.670 287 H SER 38 H SER 38 -15.291 -11.142 2.192 288 HA SER 38 HA SER 38 -17.345 -11.738 2.929 289 HB2 SER 38 2HB SER 38 -17.460 -13.544 0.500 290 HB3 SER 38 3HB SER 38 -18.822 -13.133 1.545 291 HG SER 38 HG SER 38 -17.446 -11.544 -0.317 292 H GLY 39 H GLY 39 -15.785 -14.662 1.618 293 HA2 GLY 39 2HA GLY 39 -15.590 -15.719 4.335 294 HA3 GLY 39 3HA GLY 39 -16.501 -16.673 3.166 295 H ASN 40 H ASN 40 -13.412 -15.929 4.376 296 HA ASN 40 HA ASN 40 -11.904 -16.488 2.025 297 HB2 ASN 40 2HB ASN 40 -11.007 -15.124 3.884 298 HB3 ASN 40 3HB ASN 40 -10.982 -16.559 4.906 299 HD21 ASN 40 1HD2 ASN 40 -8.763 -16.517 5.192 300 HD22 ASN 40 2HD2 ASN 40 -7.656 -16.888 3.916 301 H PHE 41 H PHE 41 -12.094 -18.395 1.101 302 HA PHE 41 HA PHE 41 -12.034 -20.835 2.683 303 HB2 PHE 41 2HB PHE 41 -12.351 -21.975 0.507 304 HB3 PHE 41 3HB PHE 41 -13.593 -20.763 0.797 305 HD1 PHE 41 HD1 PHE 41 -13.488 -18.588 -0.421 306 HD2 PHE 41 HD2 PHE 41 -10.898 -21.834 -1.353 307 HE1 PHE 41 HE1 PHE 41 -12.986 -17.560 -2.599 308 HE2 PHE 41 HE2 PHE 41 -10.390 -20.810 -3.528 309 HZ PHE 41 HZ PHE 41 -11.435 -18.669 -4.155 310 H ILE 42 H ILE 42 -10.520 -22.604 1.597 311 HA ILE 42 HA ILE 42 -7.856 -21.485 1.755 312 HB ILE 42 HB ILE 42 -8.718 -24.352 1.352 313 HG12 ILE 42 2HG1 ILE 42 -7.750 -22.863 3.803 314 HG13 ILE 42 3HG1 ILE 42 -9.396 -23.421 3.520 315 HG21 ILE 42 1HG2 ILE 42 -6.385 -24.901 1.956 316 HG22 ILE 42 2HG2 ILE 42 -5.996 -23.181 1.942 317 HG23 ILE 42 3HG2 ILE 42 -6.491 -23.984 0.452 318 HD11 ILE 42 3HD1 ILE 42 -8.608 -25.731 3.552 319 HD12 ILE 42 1HD1 ILE 42 -8.233 -24.885 5.053 320 HD13 ILE 42 2HD1 ILE 42 -6.967 -25.161 3.858 321 H GLY 43 H GLY 43 -7.513 -20.292 -0.019 322 HA2 GLY 43 2HA GLY 43 -6.363 -21.320 -2.272 323 HA3 GLY 43 3HA GLY 43 -8.072 -21.202 -2.683 324 H THR 44 H THR 44 -5.796 -19.710 -3.792 325 HA THR 44 HA THR 44 -5.340 -17.602 -4.518 326 HB THR 44 HB THR 44 -7.778 -16.640 -3.012 327 HG1 THR 44 HG1 THR 44 -7.966 -18.468 -4.685 328 HG21 THR 44 3HG2 THR 44 -6.326 -15.576 -5.439 329 HG22 THR 44 1HG2 THR 44 -6.333 -14.861 -3.825 330 HG23 THR 44 2HG2 THR 44 -7.820 -14.916 -4.772 331 H VAL 45 H VAL 45 -3.476 -17.169 -3.502 332 HA VAL 45 HA VAL 45 -3.579 -16.274 -0.704 333 HB VAL 45 HB VAL 45 -2.161 -18.247 -1.196 334 HG11 VAL 45 1HG1 VAL 45 -0.540 -16.314 -2.842 335 HG12 VAL 45 2HG1 VAL 45 -1.445 -17.704 -3.439 336 HG13 VAL 45 3HG1 VAL 45 -0.041 -17.947 -2.400 337 HG21 VAL 45 3HG2 VAL 45 -0.155 -17.483 -0.010 338 HG22 VAL 45 1HG2 VAL 45 -1.634 -16.862 0.724 339 HG23 VAL 45 2HG2 VAL 45 -0.640 -15.808 -0.283 340 H TYR 46 H TYR 46 -2.994 -15.206 -3.888 341 HA TYR 46 HA TYR 46 -2.489 -13.194 -4.799 342 HB2 TYR 46 2HB TYR 46 -2.902 -12.330 -1.949 343 HB3 TYR 46 3HB TYR 46 -2.339 -11.189 -3.164 344 HD1 TYR 46 HD2 TYR 46 -3.798 -10.563 -5.039 345 HD2 TYR 46 HD1 TYR 46 -5.186 -13.072 -1.899 346 HE1 TYR 46 HE2 TYR 46 -6.114 -10.125 -5.722 347 HE2 TYR 46 HE1 TYR 46 -7.511 -12.642 -2.577 348 HH TYR 46 HH TYR 46 -8.331 -11.328 -5.529 349 H THR 47 H THR 47 -0.818 -11.526 -4.926 350 HA THR 47 HA THR 47 1.499 -11.822 -3.193 351 HB THR 47 HB THR 47 1.731 -11.955 -6.213 352 HG1 THR 47 HG1 THR 47 1.357 -13.897 -4.452 353 HG21 THR 47 3HG2 THR 47 3.554 -10.672 -5.234 354 HG22 THR 47 1HG2 THR 47 4.144 -12.239 -5.789 355 HG23 THR 47 2HG2 THR 47 3.861 -11.960 -4.070 356 H LEU 48 H LEU 48 2.368 -9.845 -2.749 357 HA LEU 48 HA LEU 48 1.251 -7.583 -4.258 358 HB2 LEU 48 2HB LEU 48 0.574 -7.685 -1.909 359 HB3 LEU 48 3HB LEU 48 2.253 -7.692 -1.412 360 HG LEU 48 HG LEU 48 2.555 -5.426 -2.164 361 HD11 LEU 48 1HD1 LEU 48 1.138 -5.524 -4.161 362 HD12 LEU 48 2HD1 LEU 48 0.755 -4.125 -3.158 363 HD13 LEU 48 3HD1 LEU 48 -0.299 -5.540 -3.136 364 HD21 LEU 48 3HD2 LEU 48 0.971 -4.266 -0.695 365 HD22 LEU 48 1HD2 LEU 48 1.617 -5.723 0.059 366 HD23 LEU 48 2HD2 LEU 48 -0.013 -5.727 -0.615 367 H ARG 49 H ARG 49 2.589 -6.635 -5.576 368 HA ARG 49 HA ARG 49 5.468 -6.650 -4.966 369 HB2 ARG 49 2HB ARG 49 3.995 -6.385 -7.590 370 HB3 ARG 49 3HB ARG 49 5.729 -6.140 -7.418 371 HG2 ARG 49 2HG ARG 49 6.061 -8.406 -6.769 372 HG3 ARG 49 3HG ARG 49 4.323 -8.684 -6.657 373 HD2 ARG 49 2HD ARG 49 5.243 -9.632 -8.704 374 HD3 ARG 49 3HD ARG 49 4.101 -8.338 -9.053 375 HE ARG 49 HE ARG 49 6.968 -7.724 -9.016 376 HH11 ARG 49 1HH1 ARG 49 3.993 -8.229 -10.815 377 HH12 ARG 49 2HH1 ARG 49 4.585 -7.434 -12.253 378 HH21 ARG 49 1HH2 ARG 49 7.749 -6.708 -10.918 379 HH22 ARG 49 2HH2 ARG 49 6.713 -6.572 -12.311 380 H TYR 50 H TYR 50 6.565 -4.760 -4.809 381 HA TYR 50 HA TYR 50 4.840 -2.386 -4.591 382 HB2 TYR 50 2HB TYR 50 7.472 -2.815 -3.179 383 HB3 TYR 50 3HB TYR 50 6.214 -1.646 -2.795 384 HD1 TYR 50 HD1 TYR 50 4.206 -2.332 -1.602 385 HD2 TYR 50 HD2 TYR 50 7.278 -5.130 -2.498 386 HE1 TYR 50 HE1 TYR 50 3.220 -3.920 -0.009 387 HE2 TYR 50 HE2 TYR 50 6.303 -6.724 -0.905 388 HH TYR 50 HH TYR 50 3.202 -6.361 0.388 389 H PHE 51 H PHE 51 5.276 -0.659 -5.816 390 HA PHE 51 HA PHE 51 8.034 -0.142 -6.627 391 HB2 PHE 51 2HB PHE 51 5.695 -0.326 -8.528 392 HB3 PHE 51 3HB PHE 51 7.167 0.558 -8.922 393 HD1 PHE 51 HD1 PHE 51 9.389 -0.810 -8.598 394 HD2 PHE 51 HD2 PHE 51 5.538 -2.534 -9.153 395 HE1 PHE 51 HE1 PHE 51 10.440 -2.890 -9.395 396 HE2 PHE 51 HE2 PHE 51 6.581 -4.618 -9.945 397 HZ PHE 51 HZ PHE 51 9.032 -4.796 -10.067 398 H GLN 52 H GLN 52 8.554 1.999 -6.735 399 HA GLN 52 HA GLN 52 6.414 3.913 -6.082 400 HB2 GLN 52 2HB GLN 52 9.267 3.898 -5.073 401 HB3 GLN 52 3HB GLN 52 8.091 5.164 -4.752 402 HG2 GLN 52 2HG GLN 52 6.705 3.578 -3.533 403 HG3 GLN 52 3HG GLN 52 7.862 2.294 -3.877 404 HE21 GLN 52 1HE2 GLN 52 9.845 2.286 -2.810 405 HE22 GLN 52 2HE2 GLN 52 10.115 3.215 -1.379 406 HA PRO 53 HA PRO 53 8.248 5.386 -10.004 407 HB2 PRO 53 2HB PRO 53 6.072 6.891 -10.697 408 HB3 PRO 53 3HB PRO 53 6.232 5.169 -11.058 409 HG2 PRO 53 2HG PRO 53 4.729 6.515 -8.853 410 HG3 PRO 53 3HG PRO 53 4.262 5.123 -9.845 411 HD2 PRO 53 2HD PRO 53 5.208 4.861 -7.318 412 HD3 PRO 53 3HD PRO 53 5.497 3.644 -8.577 413 H ASP 54 H ASP 54 6.197 7.553 -8.028 414 HA ASP 54 HA ASP 54 7.904 9.794 -8.752 415 HB2 ASP 54 2HB ASP 54 5.246 9.550 -7.399 416 HB3 ASP 54 3HB ASP 54 6.148 11.056 -7.322 417 H GLY 55 H GLY 55 6.555 8.536 -5.695 418 HA2 GLY 55 2HA GLY 55 8.500 10.144 -4.238 419 HA3 GLY 55 3HA GLY 55 7.130 9.286 -3.544 420 H LYS 56 H LYS 56 9.573 9.150 -2.331 421 HA LYS 56 HA LYS 56 10.110 6.289 -2.636 422 HB2 LYS 56 2HB LYS 56 11.900 7.626 -3.798 423 HB3 LYS 56 3HB LYS 56 12.282 8.358 -2.250 424 HG2 LYS 56 2HG LYS 56 13.854 6.598 -2.762 425 HG3 LYS 56 3HG LYS 56 12.876 6.150 -1.363 426 HD2 LYS 56 2HD LYS 56 11.608 4.612 -2.603 427 HD3 LYS 56 3HD LYS 56 12.151 5.278 -4.144 428 HE2 LYS 56 2HE LYS 56 13.216 3.126 -3.653 429 HE3 LYS 56 3HE LYS 56 14.393 4.433 -3.750 430 HZ1 LYS 56 3HZ LYS 56 13.298 3.299 -1.227 431 HZ2 LYS 56 1HZ LYS 56 14.486 4.507 -1.348 432 HZ3 LYS 56 2HZ LYS 56 14.816 2.935 -1.886 433 H GLY 57 H GLY 57 10.038 5.280 -0.728 434 HA2 GLY 57 2HA GLY 57 10.905 6.526 1.703 435 HA3 GLY 57 3HA GLY 57 9.154 6.384 1.599 436 H SER 58 H SER 58 9.965 5.098 3.623 437 HA SER 58 HA SER 58 10.604 2.346 2.852 438 HB2 SER 58 2HB SER 58 10.879 2.156 5.430 439 HB3 SER 58 3HB SER 58 12.110 3.021 4.512 440 HG SER 58 HG SER 58 10.594 3.923 6.510 441 H LEU 59 H LEU 59 8.935 1.055 2.572 442 HA LEU 59 HA LEU 59 6.460 1.536 4.061 443 HB2 LEU 59 2HB LEU 59 6.381 1.347 1.573 444 HB3 LEU 59 3HB LEU 59 6.955 -0.302 1.717 445 HG LEU 59 HG LEU 59 4.911 -0.882 2.990 446 HD11 LEU 59 1HD1 LEU 59 3.047 0.679 3.028 447 HD12 LEU 59 2HD1 LEU 59 4.054 1.916 2.277 448 HD13 LEU 59 3HD1 LEU 59 4.434 1.337 3.899 449 HD21 LEU 59 3HD2 LEU 59 3.384 -0.801 1.086 450 HD22 LEU 59 1HD2 LEU 59 5.013 -1.247 0.577 451 HD23 LEU 59 2HD2 LEU 59 4.420 0.390 0.302 452 H LYS 60 H LYS 60 6.352 0.467 5.925 453 HA LYS 60 HA LYS 60 7.402 -2.289 6.009 454 HB2 LYS 60 2HB LYS 60 8.050 -1.845 8.380 455 HB3 LYS 60 3HB LYS 60 8.968 -0.914 7.204 456 HG2 LYS 60 2HG LYS 60 7.521 1.028 7.651 457 HG3 LYS 60 3HG LYS 60 6.679 0.086 8.883 458 HD2 LYS 60 2HD LYS 60 9.640 0.667 8.908 459 HD3 LYS 60 3HD LYS 60 8.437 1.606 9.791 460 HE2 LYS 60 2HE LYS 60 8.946 -1.345 10.143 461 HE3 LYS 60 3HE LYS 60 9.568 -0.077 11.199 462 HZ1 LYS 60 3HZ LYS 60 6.722 -0.793 10.764 463 HZ2 LYS 60 1HZ LYS 60 7.233 0.562 11.643 464 HZ3 LYS 60 2HZ LYS 60 7.621 -0.998 12.182 465 H MET 61 H MET 61 6.379 -3.684 7.574 466 HA MET 61 HA MET 61 3.570 -2.978 7.996 467 HB2 MET 61 2HB MET 61 5.028 -5.610 8.291 468 HB3 MET 61 3HB MET 61 3.312 -5.384 8.593 469 HG2 MET 61 2HG MET 61 2.984 -4.743 6.264 470 HG3 MET 61 3HG MET 61 4.706 -4.967 5.961 471 HE1 MET 61 3HE MET 61 5.114 -8.827 6.530 472 HE2 MET 61 1HE MET 61 5.345 -7.535 7.709 473 HE3 MET 61 2HE MET 61 5.932 -7.336 6.058 474 H GLU 62 H GLU 62 2.678 -4.027 10.146 475 HA GLU 62 HA GLU 62 3.873 -2.623 12.307 476 HB2 GLU 62 2HB GLU 62 1.804 -4.829 12.393 477 HB3 GLU 62 3HB GLU 62 2.193 -3.728 13.706 478 HG2 GLU 62 2HG GLU 62 1.483 -1.850 12.192 479 HG3 GLU 62 3HG GLU 62 0.864 -3.084 11.093 480 H ASP 63 H ASP 63 3.974 -5.921 11.161 481 HA ASP 63 HA ASP 63 5.191 -7.178 13.332 482 HB2 ASP 63 2HB ASP 63 4.282 -8.437 11.469 483 HB3 ASP 63 3HB ASP 63 5.461 -7.732 10.372 484 H GLY 64 H GLY 64 6.524 -4.987 10.986 485 HA2 GLY 64 2HA GLY 64 8.500 -3.770 11.777 486 HA3 GLY 64 3HA GLY 64 9.141 -5.313 12.316 487 H THR 65 H THR 65 8.241 -6.683 9.880 488 HA THR 65 HA THR 65 10.560 -6.487 8.349 489 HB THR 65 HB THR 65 7.885 -7.491 7.355 490 HG1 THR 65 HG1 THR 65 8.190 -9.249 8.547 491 HG21 THR 65 3HG2 THR 65 9.609 -7.334 5.626 492 HG22 THR 65 1HG2 THR 65 9.271 -9.019 6.011 493 HG23 THR 65 2HG2 THR 65 10.726 -8.248 6.641 494 H VAL 66 H VAL 66 11.221 -5.123 6.837 495 HA VAL 66 HA VAL 66 9.404 -3.074 5.851 496 HB VAL 66 HB VAL 66 12.354 -3.461 5.286 497 HG11 VAL 66 1HG1 VAL 66 12.293 -1.113 4.552 498 HG12 VAL 66 2HG1 VAL 66 10.542 -1.100 4.771 499 HG13 VAL 66 3HG1 VAL 66 11.273 -2.147 3.553 500 HG21 VAL 66 3HG2 VAL 66 12.716 -1.676 6.910 501 HG22 VAL 66 1HG2 VAL 66 11.914 -3.060 7.655 502 HG23 VAL 66 2HG2 VAL 66 10.983 -1.619 7.243 503 H LEU 67 H LEU 67 8.541 -3.023 3.887 504 HA LEU 67 HA LEU 67 8.735 -5.401 2.258 505 HB2 LEU 67 2HB LEU 67 7.122 -2.891 1.800 506 HB3 LEU 67 3HB LEU 67 6.875 -4.453 1.040 507 HG LEU 67 HG LEU 67 6.557 -3.939 3.998 508 HD11 LEU 67 1HD1 LEU 67 4.881 -2.710 2.728 509 HD12 LEU 67 2HD1 LEU 67 4.160 -4.066 3.597 510 HD13 LEU 67 3HD1 LEU 67 4.448 -4.184 1.861 511 HD21 LEU 67 3HD2 LEU 67 7.134 -6.240 3.438 512 HD22 LEU 67 1HD2 LEU 67 5.799 -6.302 2.286 513 HD23 LEU 67 2HD2 LEU 67 5.469 -6.120 4.010 514 H LYS 68 H LYS 68 9.280 -5.379 0.006 515 HA LYS 68 HA LYS 68 11.426 -3.436 -0.468 516 HB2 LYS 68 2HB LYS 68 11.014 -6.206 -1.607 517 HB3 LYS 68 3HB LYS 68 12.366 -5.146 -1.986 518 HG2 LYS 68 2HG LYS 68 13.018 -5.182 0.392 519 HG3 LYS 68 3HG LYS 68 11.704 -6.317 0.705 520 HD2 LYS 68 2HD LYS 68 13.816 -7.502 0.462 521 HD3 LYS 68 3HD LYS 68 12.717 -7.915 -0.855 522 HE2 LYS 68 2HE LYS 68 15.031 -7.547 -1.624 523 HE3 LYS 68 3HE LYS 68 13.889 -6.417 -2.350 524 HZ1 LYS 68 3HZ LYS 68 15.530 -5.760 0.031 525 HZ2 LYS 68 1HZ LYS 68 14.625 -4.697 -0.931 526 HZ3 LYS 68 2HZ LYS 68 16.022 -5.423 -1.555 527 HA PRO 69 HA PRO 69 8.773 -1.981 -3.814 528 HB2 PRO 69 2HB PRO 69 10.611 0.261 -3.948 529 HB3 PRO 69 3HB PRO 69 8.912 0.255 -3.472 530 HG2 PRO 69 2HG PRO 69 10.949 0.733 -1.725 531 HG3 PRO 69 3HG PRO 69 9.399 0.017 -1.246 532 HD2 PRO 69 2HD PRO 69 12.028 -1.323 -1.765 533 HD3 PRO 69 3HD PRO 69 10.830 -1.642 -0.491 534 H ASN 70 H ASN 70 9.631 -3.739 -5.036 535 HA ASN 70 HA ASN 70 10.936 -3.362 -7.362 536 HB2 ASN 70 2HB ASN 70 12.899 -2.594 -5.918 537 HB3 ASN 70 3HB ASN 70 13.032 -4.258 -5.361 538 HD21 ASN 70 1HD2 ASN 70 12.194 -3.238 -8.622 539 HD22 ASN 70 2HD2 ASN 70 13.621 -3.851 -9.375 540 H ASP 71 H ASP 71 10.621 -5.352 -4.524 541 HA ASP 71 HA ASP 71 10.711 -7.789 -6.171 542 HB2 ASP 71 2HB ASP 71 12.350 -7.420 -4.194 543 HB3 ASP 71 3HB ASP 71 10.956 -7.743 -3.169 544 H ARG 72 H ARG 72 9.472 -9.422 -4.117 545 HA ARG 72 HA ARG 72 6.708 -8.416 -4.244 546 HB2 ARG 72 2HB ARG 72 5.935 -10.597 -5.030 547 HB3 ARG 72 3HB ARG 72 7.084 -9.904 -6.165 548 HG2 ARG 72 2HG ARG 72 8.847 -11.333 -5.259 549 HG3 ARG 72 3HG ARG 72 7.698 -12.029 -4.118 550 HD2 ARG 72 2HD ARG 72 6.341 -12.802 -6.055 551 HD3 ARG 72 3HD ARG 72 7.617 -12.220 -7.126 552 HE ARG 72 HE ARG 72 8.373 -14.130 -5.044 553 HH11 ARG 72 1HH1 ARG 72 7.643 -13.558 -8.429 554 HH12 ARG 72 2HH1 ARG 72 8.390 -15.030 -8.963 555 HH21 ARG 72 1HH2 ARG 72 9.338 -16.063 -5.753 556 HH22 ARG 72 2HH2 ARG 72 9.355 -16.448 -7.447 557 H TYR 73 H TYR 73 5.369 -9.076 -2.596 558 HA TYR 73 HA TYR 73 6.405 -11.064 -0.702 559 HB2 TYR 73 2HB TYR 73 5.438 -8.292 -0.087 560 HB3 TYR 73 3HB TYR 73 5.178 -9.578 1.081 561 HD1 TYR 73 HD2 TYR 73 7.108 -10.694 2.141 562 HD2 TYR 73 HD1 TYR 73 7.616 -7.332 -0.414 563 HE1 TYR 73 HE2 TYR 73 9.369 -10.358 3.047 564 HE2 TYR 73 HE1 TYR 73 9.880 -6.987 0.483 565 HH TYR 73 HH TYR 73 11.117 -7.536 2.600 566 H LEU 74 H LEU 74 4.998 -12.676 -0.559 567 HA LEU 74 HA LEU 74 2.166 -12.149 -1.032 568 HB2 LEU 74 2HB LEU 74 1.823 -14.491 -1.239 569 HB3 LEU 74 3HB LEU 74 3.241 -14.094 -2.179 570 HG LEU 74 HG LEU 74 3.406 -15.271 0.595 571 HD11 LEU 74 1HD1 LEU 74 3.439 -16.700 -2.059 572 HD12 LEU 74 2HD1 LEU 74 2.159 -16.790 -0.849 573 HD13 LEU 74 3HD1 LEU 74 3.764 -17.427 -0.487 574 HD21 LEU 74 3HD2 LEU 74 5.377 -14.926 -1.658 575 HD22 LEU 74 1HD2 LEU 74 5.647 -16.012 -0.294 576 HD23 LEU 74 2HD2 LEU 74 5.473 -14.285 -0.017 577 H LEU 75 H LEU 75 0.682 -12.179 0.561 578 HA LEU 75 HA LEU 75 1.824 -12.273 3.258 579 HB2 LEU 75 2HB LEU 75 -0.631 -10.831 2.255 580 HB3 LEU 75 3HB LEU 75 -0.028 -10.790 3.901 581 HG LEU 75 HG LEU 75 1.420 -9.724 1.476 582 HD11 LEU 75 1HD1 LEU 75 1.007 -7.530 2.501 583 HD12 LEU 75 2HD1 LEU 75 0.010 -8.312 3.731 584 HD13 LEU 75 3HD1 LEU 75 -0.483 -8.352 2.039 585 HD21 LEU 75 3HD2 LEU 75 3.008 -8.795 3.090 586 HD22 LEU 75 1HD2 LEU 75 2.967 -10.556 3.172 587 HD23 LEU 75 2HD2 LEU 75 2.147 -9.596 4.403 588 H ASN 76 H ASN 76 0.636 -13.120 4.981 589 HA ASN 76 HA ASN 76 -1.222 -15.265 4.250 590 HB2 ASN 76 2HB ASN 76 0.229 -14.588 6.817 591 HB3 ASN 76 3HB ASN 76 -0.982 -15.859 6.708 592 HD21 ASN 76 1HD2 ASN 76 0.511 -17.384 7.329 593 HD22 ASN 76 2HD2 ASN 76 1.747 -17.959 6.259 594 H GLU 77 H GLU 77 -1.071 -12.146 5.606 595 HA GLU 77 HA GLU 77 -3.638 -12.364 6.969 596 HB2 GLU 77 2HB GLU 77 -1.653 -10.090 6.816 597 HB3 GLU 77 3HB GLU 77 -3.114 -10.094 7.793 598 HG2 GLU 77 2HG GLU 77 -0.926 -12.121 8.107 599 HG3 GLU 77 3HG GLU 77 -0.977 -10.607 9.005 600 H TRP 78 H TRP 78 -5.464 -11.425 6.289 601 HA TRP 78 HA TRP 78 -5.405 -10.067 3.687 602 HB2 TRP 78 2HB TRP 78 -7.667 -11.382 5.211 603 HB3 TRP 78 3HB TRP 78 -7.894 -10.479 3.717 604 HD1 TRP 78 HD1 TRP 78 -5.533 -13.398 4.779 605 HE1 TRP 78 HE1 TRP 78 -5.550 -15.148 2.894 606 HE3 TRP 78 HE3 TRP 78 -8.746 -11.082 1.543 607 HZ2 TRP 78 HZ2 TRP 78 -6.764 -15.506 0.369 608 HZ3 TRP 78 HZ3 TRP 78 -9.280 -12.195 -0.587 609 HH2 TRP 78 HH2 TRP 78 -8.308 -14.357 -1.158 610 H LYS 79 H LYS 79 -5.582 -9.494 6.956 611 HA LYS 79 HA LYS 79 -6.514 -6.734 6.492 612 HB2 LYS 79 2HB LYS 79 -6.800 -8.373 9.026 613 HB3 LYS 79 3HB LYS 79 -7.269 -6.691 8.837 614 HG2 LYS 79 2HG LYS 79 -9.100 -7.209 7.527 615 HG3 LYS 79 3HG LYS 79 -8.463 -8.793 7.080 616 HD2 LYS 79 2HD LYS 79 -10.319 -8.988 8.661 617 HD3 LYS 79 3HD LYS 79 -8.816 -9.595 9.354 618 HE2 LYS 79 2HE LYS 79 -9.781 -8.345 11.075 619 HE3 LYS 79 3HE LYS 79 -8.569 -7.267 10.387 620 HZ1 LYS 79 3HZ LYS 79 -10.414 -6.269 9.046 621 HZ2 LYS 79 1HZ LYS 79 -10.542 -6.023 10.721 622 HZ3 LYS 79 2HZ LYS 79 -11.500 -7.192 9.964 623 H PHE 80 H PHE 80 -4.960 -5.226 6.941 624 HA PHE 80 HA PHE 80 -2.950 -5.666 8.930 625 HB2 PHE 80 2HB PHE 80 -1.021 -5.627 7.313 626 HB3 PHE 80 3HB PHE 80 -1.956 -7.118 7.312 627 HD1 PHE 80 HD2 PHE 80 -1.173 -4.057 5.427 628 HD2 PHE 80 HD1 PHE 80 -3.204 -7.799 5.395 629 HE1 PHE 80 HE2 PHE 80 -1.490 -3.862 2.994 630 HE2 PHE 80 HE1 PHE 80 -3.525 -7.608 2.965 631 HZ PHE 80 HZ PHE 80 -2.667 -5.639 1.762 632 H ARG 81 H ARG 81 -1.335 -3.918 8.987 633 HA ARG 81 HA ARG 81 -2.288 -1.462 7.668 634 HB2 ARG 81 2HB ARG 81 -0.690 -1.659 10.230 635 HB3 ARG 81 3HB ARG 81 -1.305 -0.188 9.495 636 HG2 ARG 81 2HG ARG 81 -3.601 -0.996 9.892 637 HG3 ARG 81 3HG ARG 81 -2.927 -2.401 10.726 638 HD2 ARG 81 2HD ARG 81 -1.704 -0.760 12.212 639 HD3 ARG 81 3HD ARG 81 -2.716 0.499 11.504 640 HE ARG 81 HE ARG 81 -4.139 -1.763 12.615 641 HH11 ARG 81 1HH1 ARG 81 -2.870 1.462 13.157 642 HH12 ARG 81 2HH1 ARG 81 -3.884 1.763 14.530 643 HH21 ARG 81 1HH2 ARG 81 -5.478 -1.362 14.415 644 HH22 ARG 81 2HH2 ARG 81 -5.376 0.152 15.252 645 H LEU 82 H LEU 82 -0.832 -0.316 6.489 646 HA LEU 82 HA LEU 82 1.948 -1.295 6.488 647 HB2 LEU 82 2HB LEU 82 0.461 0.199 4.319 648 HB3 LEU 82 3HB LEU 82 2.125 -0.348 4.231 649 HG LEU 82 HG LEU 82 -0.303 -2.133 4.407 650 HD11 LEU 82 1HD1 LEU 82 1.571 -1.561 2.115 651 HD12 LEU 82 2HD1 LEU 82 -0.100 -1.015 2.251 652 HD13 LEU 82 3HD1 LEU 82 0.255 -2.737 2.108 653 HD21 LEU 82 3HD2 LEU 82 1.280 -3.959 4.005 654 HD22 LEU 82 1HD2 LEU 82 1.631 -3.119 5.517 655 HD23 LEU 82 2HD2 LEU 82 2.619 -2.815 4.088 656 H TYR 83 H TYR 83 3.560 0.145 6.883 657 HA TYR 83 HA TYR 83 2.720 2.891 7.507 658 HB2 TYR 83 2HB TYR 83 4.873 1.150 8.694 659 HB3 TYR 83 3HB TYR 83 4.868 2.899 8.907 660 HD1 TYR 83 HD1 TYR 83 3.098 3.990 10.187 661 HD2 TYR 83 HD2 TYR 83 3.270 -0.248 9.851 662 HE1 TYR 83 HE1 TYR 83 1.521 3.787 12.057 663 HE2 TYR 83 HE2 TYR 83 1.692 -0.464 11.725 664 HH TYR 83 HH TYR 83 -0.191 2.045 12.841 665 H TYR 84 H TYR 84 3.252 4.279 6.025 666 HA TYR 84 HA TYR 84 5.648 3.789 4.397 667 HB2 TYR 84 2HB TYR 84 3.661 3.944 3.050 668 HB3 TYR 84 3HB TYR 84 3.153 5.412 3.875 669 HD1 TYR 84 HD2 TYR 84 6.325 4.341 2.177 670 HD2 TYR 84 HD1 TYR 84 3.208 7.222 2.486 671 HE1 TYR 84 HE2 TYR 84 7.426 5.709 0.453 672 HE2 TYR 84 HE1 TYR 84 4.296 8.597 0.766 673 HH TYR 84 HH TYR 84 6.397 8.944 -0.256 674 H THR 85 H THR 85 7.335 4.767 5.275 675 HA THR 85 HA THR 85 7.044 7.480 6.346 676 HB THR 85 HB THR 85 9.473 5.670 6.393 677 HG1 THR 85 HG1 THR 85 7.573 6.223 8.459 678 HG21 THR 85 3HG2 THR 85 10.269 7.196 8.150 679 HG22 THR 85 1HG2 THR 85 8.840 8.202 7.920 680 HG23 THR 85 2HG2 THR 85 10.023 8.043 6.621 681 H SER 86 H SER 86 7.186 9.015 4.826 682 HA SER 86 HA SER 86 8.428 8.644 2.310 683 HB2 SER 86 2HB SER 86 7.574 11.209 3.673 684 HB3 SER 86 3HB SER 86 7.942 11.027 1.957 685 HG SER 86 HG SER 86 5.997 10.313 1.674 686 H GLN 87 H GLN 87 10.528 8.495 1.997 687 HA GLN 87 HA GLN 87 12.407 9.842 3.758 688 HB2 GLN 87 2HB GLN 87 12.892 8.024 1.392 689 HB3 GLN 87 3HB GLN 87 14.133 8.640 2.471 690 HG2 GLN 87 2HG GLN 87 13.056 7.438 4.339 691 HG3 GLN 87 3HG GLN 87 11.892 6.763 3.197 692 HE21 GLN 87 1HE2 GLN 87 12.595 5.250 1.682 693 HE22 GLN 87 2HE2 GLN 87 14.085 4.389 1.856 694 H SER 88 H SER 88 11.275 9.953 0.432 695 HA SER 88 HA SER 88 12.661 12.520 0.122 696 HB2 SER 88 2HB SER 88 12.545 10.343 -1.980 697 HB3 SER 88 3HB SER 88 13.307 11.925 -2.164 698 HG SER 88 HG SER 88 14.453 11.087 -0.087 699 H ASP 89 H ASP 89 11.293 14.072 -0.396 700 HA ASP 89 HA ASP 89 8.722 13.347 -1.637 701 HB2 ASP 89 2HB ASP 89 8.340 14.342 0.500 702 HB3 ASP 89 3HB ASP 89 9.493 15.633 0.175 703 H LYS 90 H LYS 90 8.051 14.372 -3.465 704 HA LYS 90 HA LYS 90 10.010 16.164 -4.739 705 HB2 LYS 90 2HB LYS 90 8.058 14.256 -6.045 706 HB3 LYS 90 3HB LYS 90 9.147 15.335 -6.902 707 HG2 LYS 90 2HG LYS 90 10.160 13.249 -4.993 708 HG3 LYS 90 3HG LYS 90 9.822 12.887 -6.687 709 HD2 LYS 90 2HD LYS 90 12.151 13.368 -6.509 710 HD3 LYS 90 3HD LYS 90 11.391 14.747 -7.298 711 HE2 LYS 90 2HE LYS 90 11.402 15.974 -5.192 712 HE3 LYS 90 3HE LYS 90 12.118 14.585 -4.377 713 HZ1 LYS 90 3HZ LYS 90 13.414 16.002 -6.641 714 HZ2 LYS 90 1HZ LYS 90 14.107 14.840 -5.614 715 HZ3 LYS 90 2HZ LYS 90 13.705 16.373 -5.013 716 H GLU 91 H GLU 91 6.558 15.402 -4.567 717 HA GLU 91 HA GLU 91 5.639 18.008 -4.203 718 HB2 GLU 91 2HB GLU 91 6.497 18.226 -6.582 719 HB3 GLU 91 3HB GLU 91 5.272 17.058 -7.053 720 HG2 GLU 91 2HG GLU 91 3.535 18.586 -6.220 721 HG3 GLU 91 3HG GLU 91 4.788 19.767 -5.842 722 H ALA 92 H ALA 92 4.814 15.191 -6.176 723 HA ALA 92 HA ALA 92 2.607 14.593 -4.329 724 HB1 ALA 92 3HB ALA 92 2.551 14.283 -7.337 725 HB2 ALA 92 1HB ALA 92 1.658 15.482 -6.403 726 HB3 ALA 92 2HB ALA 92 1.283 13.768 -6.224 727 H GLN 93 H GLN 93 2.833 12.632 -3.456 728 HA GLN 93 HA GLN 93 5.009 10.980 -4.501 729 HB2 GLN 93 2HB GLN 93 3.600 10.854 -1.828 730 HB3 GLN 93 3HB GLN 93 5.009 9.912 -2.298 731 HG2 GLN 93 2HG GLN 93 6.310 11.966 -2.530 732 HG3 GLN 93 3HG GLN 93 4.899 12.911 -2.053 733 HE21 GLN 93 1HE2 GLN 93 5.918 13.779 -0.277 734 HE22 GLN 93 2HE2 GLN 93 6.242 12.844 1.147 735 H THR 94 H THR 94 4.317 9.579 -5.952 736 HA THR 94 HA THR 94 1.759 8.204 -5.539 737 HB THR 94 HB THR 94 3.363 8.057 -8.076 738 HG1 THR 94 HG1 THR 94 2.957 10.071 -8.526 739 HG21 THR 94 3HG2 THR 94 0.403 8.001 -7.488 740 HG22 THR 94 1HG2 THR 94 1.416 6.606 -7.855 741 HG23 THR 94 2HG2 THR 94 1.133 7.837 -9.086 742 H ILE 95 H ILE 95 1.758 6.122 -4.967 743 HA ILE 95 HA ILE 95 4.096 4.471 -5.674 744 HB ILE 95 HB ILE 95 3.727 3.128 -3.635 745 HG12 ILE 95 2HG1 ILE 95 1.801 5.318 -2.823 746 HG13 ILE 95 3HG1 ILE 95 1.323 3.700 -3.324 747 HG21 ILE 95 1HG2 ILE 95 5.417 4.843 -3.587 748 HG22 ILE 95 2HG2 ILE 95 4.618 4.764 -2.018 749 HG23 ILE 95 3HG2 ILE 95 4.222 6.061 -3.146 750 HD11 ILE 95 3HD1 ILE 95 2.960 4.407 -0.899 751 HD12 ILE 95 1HD1 ILE 95 2.541 2.771 -1.410 752 HD13 ILE 95 2HD1 ILE 95 1.272 3.892 -0.921 753 H ASP 96 H ASP 96 3.655 2.411 -6.438 754 HA ASP 96 HA ASP 96 0.807 1.899 -7.004 755 HB2 ASP 96 2HB ASP 96 3.262 1.215 -8.628 756 HB3 ASP 96 3HB ASP 96 1.676 0.522 -8.948 757 H LEU 97 H LEU 97 -0.020 0.289 -5.897 758 HA LEU 97 HA LEU 97 1.748 -1.842 -4.935 759 HB2 LEU 97 2HB LEU 97 -1.081 -1.146 -4.142 760 HB3 LEU 97 3HB LEU 97 -0.134 -2.450 -3.453 761 HG LEU 97 HG LEU 97 0.469 0.499 -3.226 762 HD11 LEU 97 1HD1 LEU 97 -1.397 -0.188 -1.842 763 HD12 LEU 97 2HD1 LEU 97 0.020 0.134 -0.841 764 HD13 LEU 97 3HD1 LEU 97 -0.453 -1.529 -1.194 765 HD21 LEU 97 3HD2 LEU 97 2.528 -0.792 -3.348 766 HD22 LEU 97 1HD2 LEU 97 1.936 -1.882 -2.094 767 HD23 LEU 97 2HD2 LEU 97 2.268 -0.192 -1.709 768 H TYR 98 H TYR 98 1.925 -3.455 -6.311 769 HA TYR 98 HA TYR 98 -0.292 -4.159 -8.062 770 HB2 TYR 98 2HB TYR 98 2.565 -5.113 -7.892 771 HB3 TYR 98 3HB TYR 98 1.379 -5.832 -8.976 772 HD1 TYR 98 HD1 TYR 98 0.503 -4.558 -10.876 773 HD2 TYR 98 HD2 TYR 98 3.537 -2.963 -8.358 774 HE1 TYR 98 HE1 TYR 98 1.037 -2.884 -12.592 775 HE2 TYR 98 HE2 TYR 98 4.075 -1.278 -10.067 776 HH TYR 98 HH TYR 98 2.074 -0.690 -12.778 777 H PHE 99 H PHE 99 -1.814 -5.198 -6.822 778 HA PHE 99 HA PHE 99 -1.034 -7.588 -5.359 779 HB2 PHE 99 2HB PHE 99 -3.749 -6.370 -5.926 780 HB3 PHE 99 3HB PHE 99 -3.513 -7.860 -5.025 781 HD1 PHE 99 HD2 PHE 99 -3.103 -4.221 -4.987 782 HD2 PHE 99 HD1 PHE 99 -2.705 -7.836 -2.779 783 HE1 PHE 99 HE2 PHE 99 -2.859 -2.923 -2.909 784 HE2 PHE 99 HE1 PHE 99 -2.460 -6.549 -0.701 785 HZ PHE 99 HZ PHE 99 -2.536 -4.087 -0.764 786 H GLU 100 H GLU 100 -0.728 -9.439 -6.416 787 HA GLU 100 HA GLU 100 -1.957 -9.695 -9.066 788 HB2 GLU 100 2HB GLU 100 0.363 -11.254 -7.910 789 HB3 GLU 100 3HB GLU 100 -0.212 -11.306 -9.573 790 HG2 GLU 100 2HG GLU 100 0.325 -8.870 -9.750 791 HG3 GLU 100 3HG GLU 100 1.080 -8.982 -8.165 792 H ASP 101 H ASP 101 -3.473 -11.104 -9.418 793 HA ASP 101 HA ASP 101 -4.441 -12.636 -7.111 794 HB2 ASP 101 2HB ASP 101 -5.826 -10.808 -8.226 795 HB3 ASP 101 3HB ASP 101 -5.948 -11.869 -9.621 796 H ASN 102 H ASN 102 -5.565 -14.706 -7.643 797 HA ASN 102 HA ASN 102 -3.872 -16.273 -9.418 798 HB2 ASN 102 2HB ASN 102 -5.923 -17.049 -7.339 799 HB3 ASN 102 3HB ASN 102 -5.113 -18.221 -8.372 800 HD21 ASN 102 1HD2 ASN 102 -2.927 -18.611 -8.093 801 HD22 ASN 102 2HD2 ASN 102 -2.071 -18.124 -6.671 802 H TRP 103 H TRP 103 -7.138 -15.079 -9.218 803 HA TRP 103 HA TRP 103 -7.697 -16.401 -11.790 804 HB2 TRP 103 2HB TRP 103 -10.164 -16.273 -11.022 805 HB3 TRP 103 3HB TRP 103 -9.146 -17.553 -10.378 806 HD1 TRP 103 HD1 TRP 103 -8.477 -17.409 -7.787 807 HE1 TRP 103 HE1 TRP 103 -9.517 -16.135 -5.814 808 HE3 TRP 103 HE3 TRP 103 -11.376 -14.095 -10.396 809 HZ2 TRP 103 HZ2 TRP 103 -11.326 -14.014 -5.412 810 HZ3 TRP 103 HZ3 TRP 103 -12.737 -12.479 -9.136 811 HH2 TRP 103 HH2 TRP 103 -12.712 -12.441 -6.693 812 H GLY 104 H GLY 104 -8.032 -13.547 -9.790 813 HA2 GLY 104 2HA GLY 104 -9.392 -12.047 -11.874 814 HA3 GLY 104 3HA GLY 104 -8.814 -11.420 -10.337 815 H ASN 105 H ASN 105 -6.281 -13.043 -11.369 816 HA ASN 105 HA ASN 105 -4.350 -12.687 -12.481 817 HB2 ASN 105 2HB ASN 105 -5.987 -10.732 -14.097 818 HB3 ASN 105 3HB ASN 105 -4.311 -11.138 -14.452 819 HD21 ASN 105 1HD2 ASN 105 -4.638 -13.942 -13.693 820 HD22 ASN 105 2HD2 ASN 105 -5.551 -14.681 -14.964 821 H LEU 106 H LEU 106 -5.784 -9.400 -12.289 822 HA LEU 106 HA LEU 106 -3.526 -8.623 -10.600 823 HB2 LEU 106 2HB LEU 106 -2.766 -8.189 -12.879 824 HB3 LEU 106 3HB LEU 106 -4.211 -7.254 -13.201 825 HG LEU 106 HG LEU 106 -3.484 -5.630 -11.442 826 HD11 LEU 106 1HD1 LEU 106 -0.927 -7.222 -11.530 827 HD12 LEU 106 2HD1 LEU 106 -2.035 -7.109 -10.163 828 HD13 LEU 106 3HD1 LEU 106 -1.157 -5.680 -10.708 829 HD21 LEU 106 3HD2 LEU 106 -1.785 -4.561 -12.826 830 HD22 LEU 106 1HD2 LEU 106 -3.095 -5.205 -13.815 831 HD23 LEU 106 2HD2 LEU 106 -1.558 -6.063 -13.721 832 H GLN 107 H GLN 107 -4.121 -7.329 -9.023 833 HA GLN 107 HA GLN 107 -6.379 -5.480 -9.453 834 HB2 GLN 107 2HB GLN 107 -5.555 -6.797 -6.848 835 HB3 GLN 107 3HB GLN 107 -6.828 -5.600 -7.026 836 HG2 GLN 107 2HG GLN 107 -6.814 -8.367 -8.210 837 HG3 GLN 107 3HG GLN 107 -7.753 -7.824 -6.819 838 HE21 GLN 107 1HE2 GLN 107 -8.661 -8.963 -9.327 839 HE22 GLN 107 2HE2 GLN 107 -9.723 -7.799 -10.038 840 H GLN 108 H GLN 108 -5.510 -3.475 -9.648 841 HA GLN 108 HA GLN 108 -2.979 -2.988 -8.229 842 HB2 GLN 108 2HB GLN 108 -2.859 -2.823 -10.688 843 HB3 GLN 108 3HB GLN 108 -4.065 -1.541 -10.649 844 HG2 GLN 108 2HG GLN 108 -2.538 -0.171 -9.303 845 HG3 GLN 108 3HG GLN 108 -1.328 -1.447 -9.397 846 HE21 GLN 108 1HE2 GLN 108 -1.169 1.304 -10.299 847 HE22 GLN 108 2HE2 GLN 108 -0.836 1.241 -11.995 848 H LEU 109 H LEU 109 -3.016 -1.694 -6.553 849 HA LEU 109 HA LEU 109 -5.087 0.398 -6.436 850 HB2 LEU 109 2HB LEU 109 -3.548 -0.935 -4.199 851 HB3 LEU 109 3HB LEU 109 -4.623 0.432 -3.980 852 HG LEU 109 HG LEU 109 -5.438 -2.315 -4.933 853 HD11 LEU 109 1HD1 LEU 109 -5.946 -0.891 -2.325 854 HD12 LEU 109 2HD1 LEU 109 -4.846 -2.248 -2.567 855 HD13 LEU 109 3HD1 LEU 109 -6.582 -2.472 -2.785 856 HD21 LEU 109 3HD2 LEU 109 -7.736 -1.463 -4.711 857 HD22 LEU 109 1HD2 LEU 109 -6.825 -0.597 -5.948 858 HD23 LEU 109 2HD2 LEU 109 -7.094 0.144 -4.371 859 H THR 110 H THR 110 -4.264 2.275 -7.103 860 HA THR 110 HA THR 110 -1.421 2.774 -6.586 861 HB THR 110 HB THR 110 -2.167 2.891 -8.954 862 HG1 THR 110 HG1 THR 110 -0.380 4.060 -8.644 863 HG21 THR 110 3HG2 THR 110 -3.452 4.818 -9.731 864 HG22 THR 110 1HG2 THR 110 -3.705 5.330 -8.062 865 HG23 THR 110 2HG2 THR 110 -4.405 3.815 -8.636 866 H TYR 111 H TYR 111 -0.833 4.180 -5.104 867 HA TYR 111 HA TYR 111 -2.920 5.928 -3.983 868 HB2 TYR 111 2HB TYR 111 -0.563 4.592 -2.649 869 HB3 TYR 111 3HB TYR 111 -1.508 5.865 -1.882 870 HD1 TYR 111 HD2 TYR 111 -3.848 5.453 -1.240 871 HD2 TYR 111 HD1 TYR 111 -1.419 2.357 -2.857 872 HE1 TYR 111 HE2 TYR 111 -5.455 3.776 -0.429 873 HE2 TYR 111 HE1 TYR 111 -3.016 0.673 -2.047 874 HH TYR 111 HH TYR 111 -6.119 1.461 -0.959 875 H ASP 112 H ASP 112 -2.660 7.924 -4.661 876 HA ASP 112 HA ASP 112 0.065 8.987 -4.833 877 HB2 ASP 112 2HB ASP 112 -0.858 10.771 -6.257 878 HB3 ASP 112 3HB ASP 112 -1.173 9.178 -6.932 879 H PHE 113 H PHE 113 0.706 10.101 -3.180 880 HA PHE 113 HA PHE 113 -1.264 11.313 -1.381 881 HB2 PHE 113 2HB PHE 113 1.705 10.840 -0.992 882 HB3 PHE 113 3HB PHE 113 0.600 11.469 0.223 883 HD1 PHE 113 HD1 PHE 113 -1.059 10.007 1.263 884 HD2 PHE 113 HD2 PHE 113 1.796 8.515 -1.514 885 HE1 PHE 113 HE1 PHE 113 -1.529 7.714 2.016 886 HE2 PHE 113 HE2 PHE 113 1.327 6.217 -0.771 887 HZ PHE 113 HZ PHE 113 -0.337 5.813 0.997 888 H ASN 114 H ASN 114 -1.033 13.465 -0.686 889 HA ASN 114 HA ASN 114 -0.640 15.696 -0.909 890 HB2 ASN 114 2HB ASN 114 1.890 14.850 -2.358 891 HB3 ASN 114 3HB ASN 114 1.549 16.460 -1.738 892 HD21 ASN 114 1HD2 ASN 114 3.405 16.411 -0.433 893 HD22 ASN 114 2HD2 ASN 114 3.477 15.444 1.005 894 H GLY 115 H GLY 115 -2.044 14.048 -2.870 895 HA2 GLY 115 2HA GLY 115 -1.537 14.738 -5.517 896 HA3 GLY 115 3HA GLY 115 -3.099 14.243 -4.885 897 H LYS 116 H LYS 116 -1.700 16.539 -6.600 898 HA LYS 116 HA LYS 116 -3.551 18.595 -5.641 899 HB2 LYS 116 2HB LYS 116 -1.779 20.289 -6.332 900 HB3 LYS 116 3HB LYS 116 -1.474 19.384 -4.856 901 HG2 LYS 116 2HG LYS 116 -0.121 17.801 -6.399 902 HG3 LYS 116 3HG LYS 116 -0.139 19.162 -7.521 903 HD2 LYS 116 2HD LYS 116 0.810 19.342 -4.667 904 HD3 LYS 116 3HD LYS 116 1.875 19.049 -6.039 905 HE2 LYS 116 2HE LYS 116 0.074 21.452 -5.816 906 HE3 LYS 116 3HE LYS 116 1.742 21.433 -5.245 907 HZ1 LYS 116 3HZ LYS 116 0.728 21.346 -8.010 908 HZ2 LYS 116 1HZ LYS 116 2.232 20.635 -7.654 909 HZ3 LYS 116 2HZ LYS 116 1.974 22.279 -7.342 910 H LEU 117 H LEU 117 -5.005 17.952 -7.240 911 HA LEU 117 HA LEU 117 -4.273 18.157 -10.018 912 HB2 LEU 117 2HB LEU 117 -6.049 16.615 -9.248 913 HB3 LEU 117 3HB LEU 117 -7.005 17.991 -8.731 914 HG LEU 117 HG LEU 117 -7.141 18.757 -11.081 915 HD11 LEU 117 1HD1 LEU 117 -5.061 17.762 -11.892 916 HD12 LEU 117 2HD1 LEU 117 -6.437 17.256 -12.876 917 HD13 LEU 117 3HD1 LEU 117 -5.747 16.150 -11.687 918 HD21 LEU 117 3HD2 LEU 117 -8.678 17.016 -11.846 919 HD22 LEU 117 1HD2 LEU 117 -8.913 17.371 -10.133 920 HD23 LEU 117 2HD2 LEU 117 -8.045 15.916 -10.621 921 H GLU 118 H GLU 118 -3.657 20.134 -10.610 922 HA GLU 118 HA GLU 118 -4.968 22.468 -9.468 923 HB2 GLU 118 2HB GLU 118 -2.543 22.193 -11.241 924 HB3 GLU 118 3HB GLU 118 -3.130 23.706 -10.566 925 HG2 GLU 118 2HG GLU 118 -2.681 22.958 -8.341 926 HG3 GLU 118 3HG GLU 118 -2.261 21.346 -8.922 927 H HIS 119 H HIS 119 -5.379 24.336 -10.938 928 HA HIS 119 HA HIS 119 -6.464 23.394 -13.509 929 HB2 HIS 119 2HB HIS 119 -7.657 25.471 -11.658 930 HB3 HIS 119 3HB HIS 119 -8.273 25.070 -13.257 931 HD1 HIS 119 HD1 HIS 119 -8.540 24.137 -9.754 932 HD2 HIS 119 HD2 HIS 119 -9.220 22.291 -13.424 933 HE1 HIS 119 HE1 HIS 119 -9.949 22.114 -9.248 934 HE2 HIS 119 HE2 HIS 119 -10.222 20.930 -11.458 935 H HIS 120 H HIS 120 -4.623 23.997 -14.593 936 HA HIS 120 HA HIS 120 -4.376 26.894 -15.045 937 HB2 HIS 120 2HB HIS 120 -2.063 24.943 -15.223 938 HB3 HIS 120 3HB HIS 120 -1.991 26.688 -15.393 939 HD1 HIS 120 HD1 HIS 120 -1.887 28.090 -13.230 940 HD2 HIS 120 HD2 HIS 120 -2.167 23.990 -12.595 941 HE1 HIS 120 HE1 HIS 120 -1.369 27.744 -10.794 942 HE2 HIS 120 HE2 HIS 120 -1.343 25.240 -10.484 943 H HIS 121 H HIS 121 -3.393 27.296 -17.282 944 HA HIS 121 HA HIS 121 -4.709 25.663 -19.217 945 HB2 HIS 121 2HB HIS 121 -4.151 28.138 -19.462 946 HB3 HIS 121 3HB HIS 121 -2.494 27.635 -19.791 947 HD1 HIS 121 HD1 HIS 121 -5.984 26.980 -21.143 948 HD2 HIS 121 HD2 HIS 121 -2.028 27.148 -22.431 949 HE1 HIS 121 HE1 HIS 121 -6.068 26.677 -23.641 950 HE2 HIS 121 HE2 HIS 121 -3.682 26.909 -24.417 951 H HIS 122 H HIS 122 -4.054 23.616 -19.375 952 HA HIS 122 HA HIS 122 -1.193 23.108 -19.831 953 HB2 HIS 122 2HB HIS 122 -1.271 21.103 -18.478 954 HB3 HIS 122 3HB HIS 122 -1.825 22.457 -17.505 955 HD1 HIS 122 HD1 HIS 122 -2.616 19.060 -18.132 956 HD2 HIS 122 HD2 HIS 122 -4.897 22.506 -17.603 957 HE1 HIS 122 HE1 HIS 122 -4.910 18.268 -17.487 958 HE2 HIS 122 HE2 HIS 122 -6.261 20.356 -17.103 959 H HIS 123 H HIS 123 -0.791 21.043 -20.960 960 HA HIS 123 HA HIS 123 -2.793 20.594 -23.021 961 HB2 HIS 123 2HB HIS 123 -0.141 19.180 -22.606 962 HB3 HIS 123 3HB HIS 123 -1.144 19.121 -24.050 963 HD1 HIS 123 HD1 HIS 123 -0.948 21.057 -25.706 964 HD2 HIS 123 HD2 HIS 123 1.343 21.558 -22.271 965 HE1 HIS 123 HE1 HIS 123 0.560 23.016 -26.173 966 HE2 HIS 123 HE2 HIS 123 2.067 23.171 -24.158 967 H HIS 124 H HIS 124 -0.842 18.253 -21.228 968 HA HIS 124 HA HIS 124 -3.290 17.014 -20.188 969 HB2 HIS 124 2HB HIS 124 -2.577 15.660 -22.109 970 HB3 HIS 124 3HB HIS 124 -0.954 15.536 -21.438 971 HD1 HIS 124 HD1 HIS 124 -4.466 14.268 -20.902 972 HD2 HIS 124 HD2 HIS 124 -0.607 13.592 -19.506 973 HE1 HIS 124 HE1 HIS 124 -4.602 12.178 -19.507 974 HE2 HIS 124 HE2 HIS 124 -2.300 11.915 -18.513 Start of MODEL 14 1 H1 MET 1 1H MET 1 -27.452 -14.991 -1.333 2 H2 MET 1 2H MET 1 -27.981 -13.668 -2.259 3 H3 MET 1 3H MET 1 -26.695 -14.625 -2.804 4 HA MET 1 HA MET 1 -28.155 -16.519 -3.035 5 HB2 MET 1 2HB MET 1 -30.248 -14.526 -2.159 6 HB3 MET 1 3HB MET 1 -30.635 -16.048 -2.946 7 HG2 MET 1 2HG MET 1 -29.490 -17.237 -1.097 8 HG3 MET 1 3HG MET 1 -29.269 -15.684 -0.294 9 HE1 MET 1 3HE MET 1 -30.485 -16.644 1.883 10 HE2 MET 1 1HE MET 1 -30.669 -18.190 1.054 11 HE3 MET 1 2HE MET 1 -32.060 -17.438 1.837 12 H ASN 2 H ASN 2 -30.297 -16.281 -4.698 13 HA ASN 2 HA ASN 2 -30.861 -15.892 -6.848 14 HB2 ASN 2 2HB ASN 2 -29.567 -13.223 -6.272 15 HB3 ASN 2 3HB ASN 2 -30.358 -13.596 -7.797 16 HD21 ASN 2 1HD2 ASN 2 -32.585 -13.804 -7.867 17 HD22 ASN 2 2HD2 ASN 2 -33.609 -13.271 -6.573 18 H GLU 3 H GLU 3 -29.553 -17.569 -7.581 19 HA GLU 3 HA GLU 3 -26.865 -16.861 -8.491 20 HB2 GLU 3 2HB GLU 3 -28.225 -19.511 -8.035 21 HB3 GLU 3 3HB GLU 3 -26.694 -19.377 -8.883 22 HG2 GLU 3 2HG GLU 3 -26.306 -19.987 -6.598 23 HG3 GLU 3 3HG GLU 3 -25.692 -18.361 -6.886 24 H LEU 4 H LEU 4 -27.307 -15.759 -10.392 25 HA LEU 4 HA LEU 4 -28.773 -16.971 -12.534 26 HB2 LEU 4 2HB LEU 4 -26.770 -14.712 -12.435 27 HB3 LEU 4 3HB LEU 4 -27.447 -15.285 -13.943 28 HG LEU 4 HG LEU 4 -28.641 -13.323 -13.295 29 HD11 LEU 4 1HD1 LEU 4 -29.991 -15.061 -14.300 30 HD12 LEU 4 2HD1 LEU 4 -30.929 -14.161 -13.109 31 HD13 LEU 4 3HD1 LEU 4 -30.308 -15.763 -12.711 32 HD21 LEU 4 3HD2 LEU 4 -28.116 -13.277 -10.933 33 HD22 LEU 4 1HD2 LEU 4 -29.144 -14.680 -10.652 34 HD23 LEU 4 2HD2 LEU 4 -29.858 -13.153 -11.171 35 H ASP 5 H ASP 5 -25.320 -16.320 -12.084 36 HA ASP 5 HA ASP 5 -24.516 -18.992 -12.527 37 HB2 ASP 5 2HB ASP 5 -25.080 -18.071 -14.909 38 HB3 ASP 5 3HB ASP 5 -23.592 -17.148 -14.724 39 H ILE 6 H ILE 6 -21.898 -18.695 -13.162 40 HA ILE 6 HA ILE 6 -20.922 -17.183 -10.877 41 HB ILE 6 HB ILE 6 -20.159 -19.525 -11.391 42 HG12 ILE 6 2HG1 ILE 6 -17.759 -19.092 -10.909 43 HG13 ILE 6 3HG1 ILE 6 -18.019 -17.389 -11.271 44 HG21 ILE 6 1HG2 ILE 6 -18.721 -18.169 -13.661 45 HG22 ILE 6 2HG2 ILE 6 -19.996 -19.382 -13.787 46 HG23 ILE 6 3HG2 ILE 6 -18.427 -19.818 -13.109 47 HD11 ILE 6 3HD1 ILE 6 -19.338 -18.934 -9.052 48 HD12 ILE 6 1HD1 ILE 6 -19.574 -17.224 -9.409 49 HD13 ILE 6 2HD1 ILE 6 -17.996 -17.804 -8.877 50 H GLN 7 H GLN 7 -21.850 -16.197 -13.682 51 HA GLN 7 HA GLN 7 -19.585 -14.786 -14.724 52 HB2 GLN 7 2HB GLN 7 -21.567 -15.530 -16.077 53 HB3 GLN 7 3HB GLN 7 -22.523 -14.303 -15.259 54 HG2 GLN 7 2HG GLN 7 -21.814 -13.544 -17.451 55 HG3 GLN 7 3HG GLN 7 -21.090 -12.559 -16.178 56 HE21 GLN 7 1HE2 GLN 7 -20.521 -14.946 -18.633 57 HE22 GLN 7 2HE2 GLN 7 -18.799 -14.796 -18.662 58 H GLN 8 H GLN 8 -21.657 -14.338 -12.120 59 HA GLN 8 HA GLN 8 -21.748 -11.494 -12.024 60 HB2 GLN 8 2HB GLN 8 -22.048 -13.533 -9.806 61 HB3 GLN 8 3HB GLN 8 -22.469 -11.830 -9.687 62 HG2 GLN 8 2HG GLN 8 -24.165 -12.114 -11.407 63 HG3 GLN 8 3HG GLN 8 -23.731 -13.812 -11.568 64 HE21 GLN 8 1HE2 GLN 8 -23.344 -14.144 -8.684 65 HE22 GLN 8 2HE2 GLN 8 -24.931 -14.184 -8.000 66 H GLU 9 H GLU 9 -20.039 -10.227 -11.751 67 HA GLU 9 HA GLU 9 -17.548 -11.352 -10.796 68 HB2 GLU 9 2HB GLU 9 -17.909 -9.764 -12.814 69 HB3 GLU 9 3HB GLU 9 -17.963 -8.490 -11.606 70 HG2 GLU 9 2HG GLU 9 -15.709 -9.298 -10.819 71 HG3 GLU 9 3HG GLU 9 -15.673 -10.325 -12.250 72 H TYR 10 H TYR 10 -16.451 -8.911 -9.779 73 HA TYR 10 HA TYR 10 -15.995 -7.950 -7.786 74 HB2 TYR 10 2HB TYR 10 -18.316 -6.946 -8.326 75 HB3 TYR 10 3HB TYR 10 -18.935 -8.068 -7.119 76 HD1 TYR 10 HD2 TYR 10 -16.814 -5.119 -7.671 77 HD2 TYR 10 HD1 TYR 10 -18.573 -7.683 -4.769 78 HE1 TYR 10 HE2 TYR 10 -16.276 -3.488 -5.913 79 HE2 TYR 10 HE1 TYR 10 -18.041 -6.060 -3.001 80 HH TYR 10 HH TYR 10 -17.092 -2.877 -3.647 81 HA PRO 11 HA PRO 11 -16.405 -12.084 -5.690 82 HB2 PRO 11 2HB PRO 11 -13.502 -12.219 -5.809 83 HB3 PRO 11 3HB PRO 11 -14.691 -13.328 -6.496 84 HG2 PRO 11 2HG PRO 11 -13.100 -11.724 -8.012 85 HG3 PRO 11 3HG PRO 11 -14.713 -12.255 -8.520 86 HD2 PRO 11 2HD PRO 11 -13.862 -9.632 -7.347 87 HD3 PRO 11 3HD PRO 11 -15.004 -9.959 -8.671 88 H PHE 12 H PHE 12 -13.367 -10.304 -5.146 89 HA PHE 12 HA PHE 12 -13.906 -10.436 -2.279 90 HB2 PHE 12 2HB PHE 12 -11.491 -9.764 -2.061 91 HB3 PHE 12 3HB PHE 12 -11.756 -11.307 -2.864 92 HD1 PHE 12 HD2 PHE 12 -11.392 -11.531 -5.275 93 HD2 PHE 12 HD1 PHE 12 -10.531 -7.903 -3.220 94 HE1 PHE 12 HE2 PHE 12 -10.044 -10.773 -7.188 95 HE2 PHE 12 HE1 PHE 12 -9.174 -7.141 -5.128 96 HZ PHE 12 HZ PHE 12 -8.930 -8.578 -7.116 97 H THR 13 H THR 13 -13.880 -8.655 -0.947 98 HA THR 13 HA THR 13 -14.432 -6.111 -2.291 99 HB THR 13 HB THR 13 -14.803 -6.834 0.628 100 HG1 THR 13 HG1 THR 13 -16.145 -7.754 -1.412 101 HG21 THR 13 3HG2 THR 13 -16.279 -4.881 0.683 102 HG22 THR 13 1HG2 THR 13 -15.926 -4.557 -1.014 103 HG23 THR 13 2HG2 THR 13 -14.647 -4.422 0.194 104 H VAL 14 H VAL 14 -13.032 -4.460 -2.220 105 HA VAL 14 HA VAL 14 -10.573 -4.859 -0.663 106 HB VAL 14 HB VAL 14 -11.048 -3.001 -3.002 107 HG11 VAL 14 1HG1 VAL 14 -8.510 -3.758 -1.558 108 HG12 VAL 14 2HG1 VAL 14 -9.310 -2.186 -1.512 109 HG13 VAL 14 3HG1 VAL 14 -8.605 -2.773 -3.018 110 HG21 VAL 14 3HG2 VAL 14 -9.648 -5.669 -2.874 111 HG22 VAL 14 1HG2 VAL 14 -9.650 -4.586 -4.268 112 HG23 VAL 14 2HG2 VAL 14 -11.159 -5.313 -3.712 113 H GLU 15 H GLU 15 -10.519 -3.826 1.189 114 HA GLU 15 HA GLU 15 -11.998 -1.312 1.472 115 HB2 GLU 15 2HB GLU 15 -10.966 -3.288 3.503 116 HB3 GLU 15 3HB GLU 15 -11.664 -1.733 3.936 117 HG2 GLU 15 2HG GLU 15 -13.087 -3.875 2.380 118 HG3 GLU 15 3HG GLU 15 -13.253 -3.607 4.115 119 H SER 16 H SER 16 -10.947 0.523 1.574 120 HA SER 16 HA SER 16 -8.186 0.544 2.560 121 HB2 SER 16 2HB SER 16 -7.707 2.297 0.786 122 HB3 SER 16 3HB SER 16 -7.928 0.657 0.180 123 HG SER 16 HG SER 16 -9.983 2.618 0.265 124 H MET 17 H MET 17 -7.979 1.935 4.196 125 HA MET 17 HA MET 17 -10.162 3.691 4.860 126 HB2 MET 17 2HB MET 17 -7.455 3.328 6.157 127 HB3 MET 17 3HB MET 17 -8.765 4.294 6.820 128 HG2 MET 17 2HG MET 17 -8.777 1.322 6.360 129 HG3 MET 17 3HG MET 17 -8.683 2.151 7.911 130 HE1 MET 17 3HE MET 17 -12.239 0.493 7.966 131 HE2 MET 17 1HE MET 17 -10.696 0.650 8.806 132 HE3 MET 17 2HE MET 17 -10.771 -0.162 7.243 133 HA PRO 18 HA PRO 18 -8.928 7.351 2.754 134 HB2 PRO 18 2HB PRO 18 -9.758 8.778 5.227 135 HB3 PRO 18 3HB PRO 18 -10.297 9.009 3.560 136 HG2 PRO 18 2HG PRO 18 -11.863 7.796 5.337 137 HG3 PRO 18 3HG PRO 18 -11.781 7.227 3.659 138 HD2 PRO 18 2HD PRO 18 -10.514 6.080 6.114 139 HD3 PRO 18 3HD PRO 18 -11.255 5.246 4.731 140 H VAL 19 H VAL 19 -6.777 7.523 2.573 141 HA VAL 19 HA VAL 19 -5.280 8.586 4.885 142 HB VAL 19 HB VAL 19 -3.246 7.525 3.883 143 HG11 VAL 19 1HG1 VAL 19 -5.492 5.664 4.646 144 HG12 VAL 19 2HG1 VAL 19 -4.363 6.459 5.746 145 HG13 VAL 19 3HG1 VAL 19 -3.781 5.234 4.617 146 HG21 VAL 19 3HG2 VAL 19 -3.529 5.740 2.238 147 HG22 VAL 19 1HG2 VAL 19 -4.064 7.291 1.588 148 HG23 VAL 19 2HG2 VAL 19 -5.250 6.104 2.131 149 H ALA 20 H ALA 20 -6.717 9.716 2.407 150 HA ALA 20 HA ALA 20 -4.569 10.890 0.869 151 HB1 ALA 20 3HB ALA 20 -6.645 10.138 -0.208 152 HB2 ALA 20 1HB ALA 20 -6.328 11.851 -0.490 153 HB3 ALA 20 2HB ALA 20 -7.542 11.360 0.694 154 H ASP 21 H ASP 21 -5.012 11.588 3.783 155 HA ASP 21 HA ASP 21 -5.920 14.268 3.928 156 HB2 ASP 21 2HB ASP 21 -5.732 12.818 5.914 157 HB3 ASP 21 3HB ASP 21 -3.979 12.813 5.744 158 H GLU 22 H GLU 22 -2.585 13.373 4.686 159 HA GLU 22 HA GLU 22 -1.275 14.258 2.445 160 HB2 GLU 22 2HB GLU 22 -2.271 16.509 3.118 161 HB3 GLU 22 3HB GLU 22 -1.191 16.462 4.507 162 HG2 GLU 22 2HG GLU 22 0.734 16.499 3.117 163 HG3 GLU 22 3HG GLU 22 -0.234 16.235 1.669 164 H ILE 23 H ILE 23 1.055 14.442 2.766 165 HA ILE 23 HA ILE 23 1.963 13.328 5.338 166 HB ILE 23 HB ILE 23 3.119 12.676 2.614 167 HG12 ILE 23 2HG1 ILE 23 1.338 11.010 4.403 168 HG13 ILE 23 3HG1 ILE 23 0.918 11.656 2.819 169 HG21 ILE 23 1HG2 ILE 23 3.678 11.498 5.330 170 HG22 ILE 23 2HG2 ILE 23 4.745 12.568 4.421 171 HG23 ILE 23 3HG2 ILE 23 4.381 10.957 3.804 172 HD11 ILE 23 3HD1 ILE 23 2.575 10.240 1.773 173 HD12 ILE 23 1HD1 ILE 23 1.469 9.271 2.747 174 HD13 ILE 23 2HD1 ILE 23 3.088 9.635 3.349 175 H ALA 24 H ALA 24 4.149 13.949 5.937 176 HA ALA 24 HA ALA 24 5.045 16.433 4.658 177 HB1 ALA 24 3HB ALA 24 5.851 15.235 7.310 178 HB2 ALA 24 1HB ALA 24 4.688 16.540 7.078 179 HB3 ALA 24 2HB ALA 24 6.386 16.789 6.670 180 H GLY 25 H GLY 25 7.477 16.670 4.479 181 HA2 GLY 25 2HA GLY 25 8.577 14.695 2.854 182 HA3 GLY 25 3HA GLY 25 9.502 15.959 3.648 183 H ASP 26 H ASP 26 8.796 15.112 6.315 184 HA ASP 26 HA ASP 26 10.103 12.488 6.503 185 HB2 ASP 26 2HB ASP 26 11.784 14.090 7.092 186 HB3 ASP 26 3HB ASP 26 10.666 14.986 8.108 187 H GLU 27 H GLU 27 8.183 11.422 6.828 188 HA GLU 27 HA GLU 27 6.829 11.740 9.354 189 HB2 GLU 27 2HB GLU 27 5.806 13.513 7.944 190 HB3 GLU 27 3HB GLU 27 5.357 12.296 6.762 191 HG2 GLU 27 2HG GLU 27 3.475 12.963 8.162 192 HG3 GLU 27 3HG GLU 27 3.865 11.254 8.354 193 H THR 28 H THR 28 5.257 10.025 9.718 194 HA THR 28 HA THR 28 5.452 7.791 7.803 195 HB THR 28 HB THR 28 5.567 7.555 10.821 196 HG1 THR 28 HG1 THR 28 7.578 8.161 9.998 197 HG21 THR 28 3HG2 THR 28 5.858 5.162 10.444 198 HG22 THR 28 1HG2 THR 28 5.706 5.401 8.704 199 HG23 THR 28 2HG2 THR 28 4.326 5.707 9.759 200 H VAL 29 H VAL 29 3.484 7.399 7.023 201 HA VAL 29 HA VAL 29 1.155 7.926 8.739 202 HB VAL 29 HB VAL 29 -0.190 7.838 6.653 203 HG11 VAL 29 1HG1 VAL 29 0.572 9.986 5.754 204 HG12 VAL 29 2HG1 VAL 29 2.098 9.804 6.620 205 HG13 VAL 29 3HG1 VAL 29 0.588 9.972 7.516 206 HG21 VAL 29 3HG2 VAL 29 2.495 7.645 5.281 207 HG22 VAL 29 1HG2 VAL 29 0.943 7.900 4.483 208 HG23 VAL 29 2HG2 VAL 29 1.260 6.386 5.329 209 H GLU 30 H GLU 30 -0.525 6.393 8.923 210 HA GLU 30 HA GLU 30 0.410 3.633 8.542 211 HB2 GLU 30 2HB GLU 30 -0.263 4.414 10.835 212 HB3 GLU 30 3HB GLU 30 -1.901 4.606 10.230 213 HG2 GLU 30 2HG GLU 30 -1.908 2.188 9.653 214 HG3 GLU 30 3HG GLU 30 -0.335 2.045 10.437 215 H ILE 31 H ILE 31 -0.332 2.583 6.867 216 HA ILE 31 HA ILE 31 -2.824 3.444 5.582 217 HB ILE 31 HB ILE 31 -0.712 1.522 4.576 218 HG12 ILE 31 2HG1 ILE 31 -1.234 4.404 3.805 219 HG13 ILE 31 3HG1 ILE 31 0.104 3.852 4.807 220 HG21 ILE 31 1HG2 ILE 31 -2.922 1.098 3.635 221 HG22 ILE 31 2HG2 ILE 31 -1.831 1.755 2.416 222 HG23 ILE 31 3HG2 ILE 31 -3.052 2.791 3.155 223 HD11 ILE 31 3HD1 ILE 31 0.990 2.572 2.943 224 HD12 ILE 31 1HD1 ILE 31 0.804 4.272 2.515 225 HD13 ILE 31 2HD1 ILE 31 -0.364 3.083 1.935 226 H ARG 32 H ARG 32 -4.607 2.396 6.165 227 HA ARG 32 HA ARG 32 -4.365 -0.379 7.110 228 HB2 ARG 32 2HB ARG 32 -6.682 1.513 7.540 229 HB3 ARG 32 3HB ARG 32 -6.455 -0.063 8.282 230 HG2 ARG 32 2HG ARG 32 -5.792 1.255 10.001 231 HG3 ARG 32 3HG ARG 32 -4.245 1.076 9.171 232 HD2 ARG 32 2HD ARG 32 -4.577 3.211 8.049 233 HD3 ARG 32 3HD ARG 32 -6.159 3.379 8.805 234 HE ARG 32 HE ARG 32 -4.138 3.046 10.775 235 HH11 ARG 32 1HH1 ARG 32 -5.433 5.428 8.541 236 HH12 ARG 32 2HH1 ARG 32 -4.934 6.782 9.502 237 HH21 ARG 32 1HH2 ARG 32 -3.492 4.847 12.032 238 HH22 ARG 32 2HH2 ARG 32 -3.838 6.456 11.477 239 H LEU 33 H LEU 33 -5.000 -1.911 5.735 240 HA LEU 33 HA LEU 33 -7.288 -1.338 4.004 241 HB2 LEU 33 2HB LEU 33 -6.225 -2.230 2.037 242 HB3 LEU 33 3HB LEU 33 -5.282 -0.896 2.664 243 HG LEU 33 HG LEU 33 -3.954 -2.917 3.821 244 HD11 LEU 33 1HD1 LEU 33 -3.740 -4.771 2.241 245 HD12 LEU 33 2HD1 LEU 33 -5.035 -4.081 1.261 246 HD13 LEU 33 3HD1 LEU 33 -5.374 -4.655 2.894 247 HD21 LEU 33 3HD2 LEU 33 -3.584 -1.969 0.983 248 HD22 LEU 33 1HD2 LEU 33 -2.357 -2.760 1.973 249 HD23 LEU 33 2HD2 LEU 33 -2.975 -1.175 2.436 250 H GLU 34 H GLU 34 -8.507 -3.107 3.400 251 HA GLU 34 HA GLU 34 -7.807 -5.678 4.639 252 HB2 GLU 34 2HB GLU 34 -10.533 -4.377 4.792 253 HB3 GLU 34 3HB GLU 34 -10.113 -5.968 5.404 254 HG2 GLU 34 2HG GLU 34 -8.565 -4.919 6.997 255 HG3 GLU 34 3HG GLU 34 -9.066 -3.335 6.406 256 H ILE 35 H ILE 35 -7.623 -7.017 2.926 257 HA ILE 35 HA ILE 35 -9.519 -6.768 0.727 258 HB ILE 35 HB ILE 35 -7.330 -8.831 1.075 259 HG12 ILE 35 2HG1 ILE 35 -7.259 -6.256 -0.520 260 HG13 ILE 35 3HG1 ILE 35 -6.478 -6.478 1.041 261 HG21 ILE 35 1HG2 ILE 35 -9.080 -9.472 -0.506 262 HG22 ILE 35 2HG2 ILE 35 -7.572 -9.121 -1.351 263 HG23 ILE 35 3HG2 ILE 35 -8.883 -7.942 -1.361 264 HD11 ILE 35 3HD1 ILE 35 -5.847 -8.001 -1.473 265 HD12 ILE 35 1HD1 ILE 35 -5.057 -8.213 0.090 266 HD13 ILE 35 2HD1 ILE 35 -4.892 -6.687 -0.783 267 H LYS 36 H LYS 36 -11.484 -7.471 1.336 268 HA LYS 36 HA LYS 36 -11.737 -9.835 3.027 269 HB2 LYS 36 2HB LYS 36 -13.851 -7.972 1.929 270 HB3 LYS 36 3HB LYS 36 -14.132 -9.265 3.086 271 HG2 LYS 36 2HG LYS 36 -12.784 -8.139 4.737 272 HG3 LYS 36 3HG LYS 36 -12.353 -6.884 3.573 273 HD2 LYS 36 2HD LYS 36 -14.729 -6.252 3.409 274 HD3 LYS 36 3HD LYS 36 -15.127 -7.480 4.611 275 HE2 LYS 36 2HE LYS 36 -13.269 -5.151 5.088 276 HE3 LYS 36 3HE LYS 36 -14.970 -5.182 5.543 277 HZ1 LYS 36 3HZ LYS 36 -12.839 -6.976 6.572 278 HZ2 LYS 36 1HZ LYS 36 -14.486 -7.128 6.942 279 HZ3 LYS 36 2HZ LYS 36 -13.629 -5.747 7.428 280 HA PRO 37 HA PRO 37 -12.234 -11.983 -0.887 281 HB2 PRO 37 2HB PRO 37 -11.449 -14.407 -0.029 282 HB3 PRO 37 3HB PRO 37 -10.301 -13.103 -0.346 283 HG2 PRO 37 2HG PRO 37 -11.320 -14.142 2.247 284 HG3 PRO 37 3HG PRO 37 -9.727 -13.482 1.847 285 HD2 PRO 37 2HD PRO 37 -11.801 -12.117 3.136 286 HD3 PRO 37 3HD PRO 37 -10.365 -11.380 2.399 287 H SER 38 H SER 38 -14.198 -12.494 -1.565 288 HA SER 38 HA SER 38 -15.884 -14.224 0.098 289 HB2 SER 38 2HB SER 38 -16.904 -12.109 -0.730 290 HB3 SER 38 3HB SER 38 -16.627 -12.647 -2.385 291 HG SER 38 HG SER 38 -18.499 -13.561 -2.198 292 H GLY 39 H GLY 39 -15.454 -16.290 -0.281 293 HA2 GLY 39 2HA GLY 39 -15.604 -18.178 -1.818 294 HA3 GLY 39 3HA GLY 39 -14.937 -17.127 -3.064 295 H ASN 40 H ASN 40 -14.198 -18.577 0.067 296 HA ASN 40 HA ASN 40 -11.423 -17.839 -0.140 297 HB2 ASN 40 2HB ASN 40 -13.015 -19.338 1.925 298 HB3 ASN 40 3HB ASN 40 -11.263 -19.204 2.025 299 HD21 ASN 40 1HD2 ASN 40 -11.437 -18.069 3.953 300 HD22 ASN 40 2HD2 ASN 40 -11.914 -16.402 3.990 301 H PHE 41 H PHE 41 -10.732 -18.947 -1.992 302 HA PHE 41 HA PHE 41 -10.619 -21.837 -1.926 303 HB2 PHE 41 2HB PHE 41 -9.131 -19.925 -3.743 304 HB3 PHE 41 3HB PHE 41 -9.342 -21.653 -3.987 305 HD1 PHE 41 HD2 PHE 41 -11.750 -22.504 -4.285 306 HD2 PHE 41 HD1 PHE 41 -10.626 -18.418 -4.650 307 HE1 PHE 41 HE2 PHE 41 -13.793 -22.065 -5.584 308 HE2 PHE 41 HE1 PHE 41 -12.665 -17.969 -5.948 309 HZ PHE 41 HZ PHE 41 -14.251 -19.791 -6.420 310 H ILE 42 H ILE 42 -9.392 -22.595 -0.275 311 HA ILE 42 HA ILE 42 -7.087 -21.233 0.686 312 HB ILE 42 HB ILE 42 -8.354 -22.634 2.197 313 HG12 ILE 42 2HG1 ILE 42 -5.619 -23.838 1.727 314 HG13 ILE 42 3HG1 ILE 42 -5.918 -22.328 2.578 315 HG21 ILE 42 1HG2 ILE 42 -7.529 -24.948 0.450 316 HG22 ILE 42 2HG2 ILE 42 -9.163 -24.314 0.655 317 HG23 ILE 42 3HG2 ILE 42 -8.340 -25.088 2.009 318 HD11 ILE 42 3HD1 ILE 42 -5.538 -24.144 4.131 319 HD12 ILE 42 1HD1 ILE 42 -6.871 -25.050 3.418 320 HD13 ILE 42 2HD1 ILE 42 -7.191 -23.542 4.272 321 H GLY 43 H GLY 43 -4.985 -21.440 0.182 322 HA2 GLY 43 2HA GLY 43 -3.084 -22.382 -0.797 323 HA3 GLY 43 3HA GLY 43 -4.090 -23.649 -1.484 324 H THR 44 H THR 44 -5.080 -20.367 -1.867 325 HA THR 44 HA THR 44 -5.079 -20.491 -4.687 326 HB THR 44 HB THR 44 -5.132 -17.792 -4.063 327 HG1 THR 44 HG1 THR 44 -6.710 -18.980 -2.061 328 HG21 THR 44 3HG2 THR 44 -7.548 -17.994 -4.327 329 HG22 THR 44 1HG2 THR 44 -7.442 -19.736 -4.065 330 HG23 THR 44 2HG2 THR 44 -6.708 -19.015 -5.497 331 H VAL 45 H VAL 45 -2.798 -19.299 -2.343 332 HA VAL 45 HA VAL 45 -0.681 -18.523 -2.455 333 HB VAL 45 HB VAL 45 -0.675 -19.470 -5.325 334 HG11 VAL 45 1HG1 VAL 45 1.761 -19.552 -5.043 335 HG12 VAL 45 2HG1 VAL 45 1.591 -18.875 -3.423 336 HG13 VAL 45 3HG1 VAL 45 1.134 -17.918 -4.833 337 HG21 VAL 45 3HG2 VAL 45 0.380 -21.505 -4.454 338 HG22 VAL 45 1HG2 VAL 45 -1.245 -21.287 -3.806 339 HG23 VAL 45 2HG2 VAL 45 0.160 -20.910 -2.809 340 H TYR 46 H TYR 46 -1.314 -16.430 -2.164 341 HA TYR 46 HA TYR 46 -1.633 -14.736 -4.524 342 HB2 TYR 46 2HB TYR 46 -2.129 -12.963 -2.712 343 HB3 TYR 46 3HB TYR 46 -3.325 -14.226 -2.977 344 HD1 TYR 46 HD2 TYR 46 -0.488 -13.274 -0.762 345 HD2 TYR 46 HD1 TYR 46 -4.047 -15.558 -1.201 346 HE1 TYR 46 HE2 TYR 46 -0.399 -13.859 1.626 347 HE2 TYR 46 HE1 TYR 46 -3.971 -16.146 1.186 348 HH TYR 46 HH TYR 46 -1.752 -14.645 3.392 349 H THR 47 H THR 47 -0.550 -12.486 -4.230 350 HA THR 47 HA THR 47 1.925 -12.495 -2.769 351 HB THR 47 HB THR 47 2.673 -13.811 -4.650 352 HG1 THR 47 HG1 THR 47 3.930 -11.846 -3.865 353 HG21 THR 47 3HG2 THR 47 2.574 -12.970 -6.949 354 HG22 THR 47 1HG2 THR 47 1.623 -11.593 -6.398 355 HG23 THR 47 2HG2 THR 47 0.963 -13.225 -6.271 356 H LEU 48 H LEU 48 2.800 -10.473 -2.551 357 HA LEU 48 HA LEU 48 1.196 -8.263 -3.641 358 HB2 LEU 48 2HB LEU 48 1.195 -8.361 -1.211 359 HB3 LEU 48 3HB LEU 48 2.947 -8.406 -1.181 360 HG LEU 48 HG LEU 48 3.010 -6.116 -2.108 361 HD11 LEU 48 1HD1 LEU 48 0.896 -6.144 -3.316 362 HD12 LEU 48 2HD1 LEU 48 0.962 -4.786 -2.192 363 HD13 LEU 48 3HD1 LEU 48 0.013 -6.218 -1.791 364 HD21 LEU 48 3HD2 LEU 48 2.196 -4.973 -0.081 365 HD22 LEU 48 1HD2 LEU 48 3.128 -6.424 0.291 366 HD23 LEU 48 2HD2 LEU 48 1.369 -6.455 0.402 367 H ARG 49 H ARG 49 2.097 -7.070 -5.152 368 HA ARG 49 HA ARG 49 5.035 -7.075 -5.385 369 HB2 ARG 49 2HB ARG 49 3.308 -7.945 -7.252 370 HB3 ARG 49 3HB ARG 49 3.324 -6.238 -7.664 371 HG2 ARG 49 2HG ARG 49 5.361 -6.346 -8.566 372 HG3 ARG 49 3HG ARG 49 5.980 -7.402 -7.291 373 HD2 ARG 49 2HD ARG 49 5.949 -8.499 -9.506 374 HD3 ARG 49 3HD ARG 49 4.940 -9.323 -8.321 375 HE ARG 49 HE ARG 49 3.829 -7.502 -10.364 376 HH11 ARG 49 1HH1 ARG 49 3.763 -10.537 -8.589 377 HH12 ARG 49 2HH1 ARG 49 2.302 -11.089 -9.359 378 HH21 ARG 49 1HH2 ARG 49 1.905 -8.249 -11.372 379 HH22 ARG 49 2HH2 ARG 49 1.254 -9.807 -10.922 380 H TYR 50 H TYR 50 5.860 -5.262 -4.602 381 HA TYR 50 HA TYR 50 4.189 -2.845 -4.597 382 HB2 TYR 50 2HB TYR 50 4.919 -3.689 -2.394 383 HB3 TYR 50 3HB TYR 50 6.596 -3.554 -2.902 384 HD1 TYR 50 HD1 TYR 50 3.649 -1.264 -3.082 385 HD2 TYR 50 HD2 TYR 50 7.657 -1.838 -1.783 386 HE1 TYR 50 HE1 TYR 50 3.685 1.032 -2.207 387 HE2 TYR 50 HE2 TYR 50 7.705 0.457 -0.900 388 HH TYR 50 HH TYR 50 6.558 2.581 -1.204 389 H PHE 51 H PHE 51 4.832 -1.033 -5.632 390 HA PHE 51 HA PHE 51 7.603 -0.654 -6.357 391 HB2 PHE 51 2HB PHE 51 6.628 -2.083 -8.185 392 HB3 PHE 51 3HB PHE 51 5.516 -0.766 -8.542 393 HD1 PHE 51 HD2 PHE 51 9.139 -1.539 -8.270 394 HD2 PHE 51 HD1 PHE 51 6.130 0.888 -10.047 395 HE1 PHE 51 HE2 PHE 51 10.830 -0.525 -9.742 396 HE2 PHE 51 HE1 PHE 51 7.814 1.910 -11.519 397 HZ PHE 51 HZ PHE 51 10.170 1.203 -11.367 398 H GLN 52 H GLN 52 8.085 1.498 -6.876 399 HA GLN 52 HA GLN 52 5.845 3.397 -6.700 400 HB2 GLN 52 2HB GLN 52 8.602 3.862 -5.546 401 HB3 GLN 52 3HB GLN 52 7.201 4.916 -5.400 402 HG2 GLN 52 2HG GLN 52 6.068 3.076 -4.133 403 HG3 GLN 52 3HG GLN 52 7.606 2.216 -4.137 404 HE21 GLN 52 1HE2 GLN 52 7.271 5.687 -3.853 405 HE22 GLN 52 2HE2 GLN 52 7.794 5.796 -2.209 406 HA PRO 53 HA PRO 53 8.016 4.282 -10.579 407 HB2 PRO 53 2HB PRO 53 5.535 5.171 -11.684 408 HB3 PRO 53 3HB PRO 53 6.378 3.654 -11.997 409 HG2 PRO 53 2HG PRO 53 3.948 3.880 -10.688 410 HG3 PRO 53 3HG PRO 53 5.040 2.491 -10.578 411 HD2 PRO 53 2HD PRO 53 4.656 4.756 -8.669 412 HD3 PRO 53 3HD PRO 53 4.975 3.039 -8.339 413 H ASP 54 H ASP 54 6.863 6.232 -8.257 414 HA ASP 54 HA ASP 54 7.406 8.676 -9.789 415 HB2 ASP 54 2HB ASP 54 5.020 8.576 -9.638 416 HB3 ASP 54 3HB ASP 54 5.090 8.164 -7.929 417 H GLY 55 H GLY 55 6.456 8.076 -6.417 418 HA2 GLY 55 2HA GLY 55 8.698 9.752 -5.576 419 HA3 GLY 55 3HA GLY 55 7.321 9.289 -4.587 420 H LYS 56 H LYS 56 9.406 9.004 -3.186 421 HA LYS 56 HA LYS 56 10.030 6.146 -3.226 422 HB2 LYS 56 2HB LYS 56 11.908 7.211 -4.344 423 HB3 LYS 56 3HB LYS 56 12.078 8.366 -3.033 424 HG2 LYS 56 2HG LYS 56 12.852 6.683 -1.541 425 HG3 LYS 56 3HG LYS 56 12.431 5.400 -2.678 426 HD2 LYS 56 2HD LYS 56 14.137 6.088 -4.201 427 HD3 LYS 56 3HD LYS 56 14.456 7.552 -3.271 428 HE2 LYS 56 2HE LYS 56 14.854 4.768 -2.189 429 HE3 LYS 56 3HE LYS 56 16.130 5.694 -2.977 430 HZ1 LYS 56 3HZ LYS 56 15.706 7.454 -1.271 431 HZ2 LYS 56 1HZ LYS 56 16.361 6.015 -0.663 432 HZ3 LYS 56 2HZ LYS 56 14.715 6.348 -0.451 433 H GLY 57 H GLY 57 9.989 5.230 -1.250 434 HA2 GLY 57 2HA GLY 57 10.541 6.680 1.155 435 HA3 GLY 57 3HA GLY 57 8.821 6.381 0.938 436 H SER 58 H SER 58 9.552 5.241 3.085 437 HA SER 58 HA SER 58 10.344 2.478 2.442 438 HB2 SER 58 2HB SER 58 10.477 3.897 5.116 439 HB3 SER 58 3HB SER 58 11.079 2.278 4.760 440 HG SER 58 HG SER 58 12.400 4.527 4.570 441 H LEU 59 H LEU 59 8.629 1.174 2.298 442 HA LEU 59 HA LEU 59 6.254 1.714 3.912 443 HB2 LEU 59 2HB LEU 59 6.013 1.230 1.490 444 HB3 LEU 59 3HB LEU 59 6.701 -0.360 1.761 445 HG LEU 59 HG LEU 59 4.782 -0.853 3.291 446 HD11 LEU 59 1HD1 LEU 59 2.800 0.576 3.121 447 HD12 LEU 59 2HD1 LEU 59 3.723 1.733 2.161 448 HD13 LEU 59 3HD1 LEU 59 4.162 1.431 3.843 449 HD21 LEU 59 3HD2 LEU 59 4.066 -0.122 0.456 450 HD22 LEU 59 1HD2 LEU 59 3.191 -1.245 1.494 451 HD23 LEU 59 2HD2 LEU 59 4.830 -1.627 0.968 452 H LYS 60 H LYS 60 6.420 0.932 5.922 453 HA LYS 60 HA LYS 60 7.880 -1.584 6.346 454 HB2 LYS 60 2HB LYS 60 8.722 0.402 7.511 455 HB3 LYS 60 3HB LYS 60 7.148 0.650 8.248 456 HG2 LYS 60 2HG LYS 60 7.431 -1.573 9.370 457 HG3 LYS 60 3HG LYS 60 9.090 -1.580 8.768 458 HD2 LYS 60 2HD LYS 60 9.547 0.498 9.949 459 HD3 LYS 60 3HD LYS 60 7.877 0.559 10.512 460 HE2 LYS 60 2HE LYS 60 9.153 -0.283 12.310 461 HE3 LYS 60 3HE LYS 60 8.294 -1.660 11.625 462 HZ1 LYS 60 3HZ LYS 60 10.312 -2.289 10.444 463 HZ2 LYS 60 1HZ LYS 60 10.592 -2.203 12.115 464 HZ3 LYS 60 2HZ LYS 60 11.132 -0.958 11.102 465 H MET 61 H MET 61 6.913 -3.340 7.251 466 HA MET 61 HA MET 61 4.084 -3.432 7.607 467 HB2 MET 61 2HB MET 61 6.342 -5.321 8.211 468 HB3 MET 61 3HB MET 61 4.713 -5.666 8.776 469 HG2 MET 61 2HG MET 61 5.404 -5.155 5.898 470 HG3 MET 61 3HG MET 61 5.351 -6.760 6.626 471 HE1 MET 61 3HE MET 61 2.087 -6.739 4.470 472 HE2 MET 61 1HE MET 61 3.575 -7.603 4.849 473 HE3 MET 61 2HE MET 61 3.648 -6.029 4.059 474 H GLU 62 H GLU 62 3.042 -4.035 9.679 475 HA GLU 62 HA GLU 62 3.350 -2.181 11.670 476 HB2 GLU 62 2HB GLU 62 2.228 -4.973 11.807 477 HB3 GLU 62 3HB GLU 62 2.170 -3.862 13.168 478 HG2 GLU 62 2HG GLU 62 0.915 -2.270 11.782 479 HG3 GLU 62 3HG GLU 62 0.915 -3.450 10.469 480 H ASP 63 H ASP 63 5.367 -1.802 12.407 481 HA ASP 63 HA ASP 63 7.199 -1.973 13.737 482 HB2 ASP 63 2HB ASP 63 5.265 -2.642 15.316 483 HB3 ASP 63 3HB ASP 63 5.873 -4.284 15.142 484 H GLY 64 H GLY 64 6.922 -3.694 11.290 485 HA2 GLY 64 2HA GLY 64 8.911 -5.742 12.031 486 HA3 GLY 64 3HA GLY 64 7.502 -6.172 11.079 487 H THR 65 H THR 65 8.481 -6.823 9.272 488 HA THR 65 HA THR 65 10.853 -5.856 8.191 489 HB THR 65 HB THR 65 8.652 -7.232 6.645 490 HG1 THR 65 HG1 THR 65 10.206 -8.105 8.757 491 HG21 THR 65 3HG2 THR 65 10.525 -8.209 5.389 492 HG22 THR 65 1HG2 THR 65 11.661 -7.264 6.354 493 HG23 THR 65 2HG2 THR 65 10.523 -6.449 5.280 494 H VAL 66 H VAL 66 11.389 -4.307 6.787 495 HA VAL 66 HA VAL 66 9.324 -2.518 5.765 496 HB VAL 66 HB VAL 66 12.331 -2.324 5.486 497 HG11 VAL 66 1HG1 VAL 66 11.914 0.021 4.936 498 HG12 VAL 66 2HG1 VAL 66 10.176 -0.259 5.044 499 HG13 VAL 66 3HG1 VAL 66 11.122 -1.054 3.785 500 HG21 VAL 66 3HG2 VAL 66 10.491 -0.994 7.470 501 HG22 VAL 66 1HG2 VAL 66 12.216 -0.676 7.292 502 HG23 VAL 66 2HG2 VAL 66 11.663 -2.263 7.827 503 H LEU 67 H LEU 67 8.610 -2.556 3.735 504 HA LEU 67 HA LEU 67 9.640 -4.598 1.922 505 HB2 LEU 67 2HB LEU 67 7.256 -2.790 1.532 506 HB3 LEU 67 3HB LEU 67 7.596 -4.303 0.712 507 HG LEU 67 HG LEU 67 6.910 -4.030 3.644 508 HD11 LEU 67 1HD1 LEU 67 5.255 -4.985 1.314 509 HD12 LEU 67 2HD1 LEU 67 5.003 -3.511 2.252 510 HD13 LEU 67 3HD1 LEU 67 4.789 -5.086 3.012 511 HD21 LEU 67 3HD2 LEU 67 7.271 -6.482 1.922 512 HD22 LEU 67 1HD2 LEU 67 6.718 -6.467 3.597 513 HD23 LEU 67 2HD2 LEU 67 8.355 -5.943 3.205 514 H LYS 68 H LYS 68 10.088 -4.103 -0.338 515 HA LYS 68 HA LYS 68 10.689 -1.276 -0.849 516 HB2 LYS 68 2HB LYS 68 12.875 -1.906 -1.841 517 HB3 LYS 68 3HB LYS 68 12.783 -2.181 -0.110 518 HG2 LYS 68 2HG LYS 68 12.388 -4.573 -0.540 519 HG3 LYS 68 3HG LYS 68 12.572 -4.266 -2.270 520 HD2 LYS 68 2HD LYS 68 14.845 -3.455 -1.886 521 HD3 LYS 68 3HD LYS 68 14.661 -3.747 -0.158 522 HE2 LYS 68 2HE LYS 68 14.584 -5.832 -2.337 523 HE3 LYS 68 3HE LYS 68 15.916 -5.542 -1.221 524 HZ1 LYS 68 3HZ LYS 68 13.267 -6.723 -0.676 525 HZ2 LYS 68 1HZ LYS 68 14.164 -6.008 0.577 526 HZ3 LYS 68 2HZ LYS 68 14.804 -7.315 -0.283 527 HA PRO 69 HA PRO 69 8.709 -1.797 -4.728 528 HB2 PRO 69 2HB PRO 69 10.850 -0.019 -5.778 529 HB3 PRO 69 3HB PRO 69 9.096 0.166 -5.853 530 HG2 PRO 69 2HG PRO 69 10.533 1.642 -4.178 531 HG3 PRO 69 3HG PRO 69 8.956 0.997 -3.691 532 HD2 PRO 69 2HD PRO 69 11.698 0.047 -2.967 533 HD3 PRO 69 3HD PRO 69 10.235 0.148 -1.964 534 H ASN 70 H ASN 70 8.836 -3.070 -6.480 535 HA ASN 70 HA ASN 70 9.652 -4.290 -8.220 536 HB2 ASN 70 2HB ASN 70 11.398 -2.600 -8.592 537 HB3 ASN 70 3HB ASN 70 12.402 -3.355 -7.363 538 HD21 ASN 70 1HD2 ASN 70 13.614 -5.105 -7.877 539 HD22 ASN 70 2HD2 ASN 70 13.723 -5.764 -9.473 540 H ASP 71 H ASP 71 10.338 -4.687 -4.983 541 HA ASP 71 HA ASP 71 11.299 -7.436 -5.335 542 HB2 ASP 71 2HB ASP 71 12.470 -5.935 -3.720 543 HB3 ASP 71 3HB ASP 71 10.973 -5.802 -2.807 544 H ARG 72 H ARG 72 9.921 -9.121 -5.087 545 HA ARG 72 HA ARG 72 7.144 -8.408 -4.467 546 HB2 ARG 72 2HB ARG 72 6.458 -10.307 -5.751 547 HB3 ARG 72 3HB ARG 72 7.652 -9.425 -6.691 548 HG2 ARG 72 2HG ARG 72 9.365 -11.060 -5.981 549 HG3 ARG 72 3HG ARG 72 8.104 -11.968 -5.144 550 HD2 ARG 72 2HD ARG 72 8.403 -13.017 -7.245 551 HD3 ARG 72 3HD ARG 72 6.900 -12.103 -7.355 552 HE ARG 72 HE ARG 72 9.322 -10.795 -8.318 553 HH11 ARG 72 1HH1 ARG 72 6.327 -12.462 -9.086 554 HH12 ARG 72 2HH1 ARG 72 6.389 -12.053 -10.768 555 HH21 ARG 72 1HH2 ARG 72 9.405 -10.276 -10.529 556 HH22 ARG 72 2HH2 ARG 72 8.122 -10.794 -11.592 557 H TYR 73 H TYR 73 5.921 -9.529 -3.022 558 HA TYR 73 HA TYR 73 7.338 -11.485 -1.331 559 HB2 TYR 73 2HB TYR 73 5.349 -9.427 -0.329 560 HB3 TYR 73 3HB TYR 73 6.326 -10.528 0.642 561 HD1 TYR 73 HD2 TYR 73 8.809 -10.199 0.730 562 HD2 TYR 73 HD1 TYR 73 6.201 -7.344 -1.044 563 HE1 TYR 73 HE2 TYR 73 10.589 -8.510 0.844 564 HE2 TYR 73 HE1 TYR 73 7.977 -5.650 -0.939 565 HH TYR 73 HH TYR 73 11.167 -6.404 -0.453 566 H LEU 74 H LEU 74 6.069 -13.197 -0.544 567 HA LEU 74 HA LEU 74 3.804 -13.856 -2.175 568 HB2 LEU 74 2HB LEU 74 5.530 -15.447 -1.125 569 HB3 LEU 74 3HB LEU 74 4.611 -15.277 0.356 570 HG LEU 74 HG LEU 74 2.599 -16.133 -0.885 571 HD11 LEU 74 1HD1 LEU 74 4.665 -16.738 -2.995 572 HD12 LEU 74 2HD1 LEU 74 3.325 -15.600 -3.139 573 HD13 LEU 74 3HD1 LEU 74 3.003 -17.328 -2.985 574 HD21 LEU 74 3HD2 LEU 74 3.901 -17.579 0.574 575 HD22 LEU 74 1HD2 LEU 74 5.012 -17.938 -0.749 576 HD23 LEU 74 2HD2 LEU 74 3.334 -18.471 -0.838 577 H LEU 75 H LEU 75 4.138 -11.872 0.413 578 HA LEU 75 HA LEU 75 2.689 -10.606 1.558 579 HB2 LEU 75 2HB LEU 75 1.280 -10.693 -0.445 580 HB3 LEU 75 3HB LEU 75 0.538 -12.169 0.141 581 HG LEU 75 HG LEU 75 -0.304 -10.920 2.104 582 HD11 LEU 75 1HD1 LEU 75 0.752 -8.521 0.620 583 HD12 LEU 75 2HD1 LEU 75 1.326 -9.132 2.171 584 HD13 LEU 75 3HD1 LEU 75 -0.303 -8.471 2.034 585 HD21 LEU 75 3HD2 LEU 75 -1.742 -11.298 0.192 586 HD22 LEU 75 1HD2 LEU 75 -1.108 -9.852 -0.596 587 HD23 LEU 75 2HD2 LEU 75 -2.059 -9.706 0.881 588 H ASN 76 H ASN 76 1.690 -10.618 3.518 589 HA ASN 76 HA ASN 76 1.963 -13.035 5.021 590 HB2 ASN 76 2HB ASN 76 0.993 -10.271 5.751 591 HB3 ASN 76 3HB ASN 76 1.067 -11.594 6.908 592 HD21 ASN 76 1HD2 ASN 76 3.039 -12.309 7.646 593 HD22 ASN 76 2HD2 ASN 76 4.508 -11.420 7.389 594 H GLU 77 H GLU 77 -0.834 -10.845 4.603 595 HA GLU 77 HA GLU 77 -2.609 -13.101 4.349 596 HB2 GLU 77 2HB GLU 77 -2.047 -12.330 6.903 597 HB3 GLU 77 3HB GLU 77 -3.448 -11.329 6.550 598 HG2 GLU 77 2HG GLU 77 -4.765 -13.274 6.027 599 HG3 GLU 77 3HG GLU 77 -3.355 -14.318 6.216 600 H TRP 78 H TRP 78 -5.011 -11.997 4.646 601 HA TRP 78 HA TRP 78 -5.104 -10.270 2.350 602 HB2 TRP 78 2HB TRP 78 -7.335 -11.279 4.128 603 HB3 TRP 78 3HB TRP 78 -7.543 -10.497 2.567 604 HD1 TRP 78 HD1 TRP 78 -6.416 -13.807 4.131 605 HE1 TRP 78 HE1 TRP 78 -6.432 -15.625 2.309 606 HE3 TRP 78 HE3 TRP 78 -7.347 -10.866 0.048 607 HZ2 TRP 78 HZ2 TRP 78 -6.795 -15.793 -0.480 608 HZ3 TRP 78 HZ3 TRP 78 -7.514 -11.942 -2.159 609 HH2 TRP 78 HH2 TRP 78 -7.243 -14.353 -2.416 610 H LYS 79 H LYS 79 -5.681 -9.965 5.802 611 HA LYS 79 HA LYS 79 -6.214 -7.091 5.454 612 HB2 LYS 79 2HB LYS 79 -7.971 -8.173 6.671 613 HB3 LYS 79 3HB LYS 79 -6.821 -9.003 7.710 614 HG2 LYS 79 2HG LYS 79 -6.151 -6.835 8.660 615 HG3 LYS 79 3HG LYS 79 -7.372 -6.047 7.660 616 HD2 LYS 79 2HD LYS 79 -9.128 -7.301 8.764 617 HD3 LYS 79 3HD LYS 79 -7.929 -8.182 9.714 618 HE2 LYS 79 2HE LYS 79 -7.207 -6.059 10.735 619 HE3 LYS 79 3HE LYS 79 -8.452 -5.212 9.815 620 HZ1 LYS 79 3HZ LYS 79 -10.145 -6.386 10.981 621 HZ2 LYS 79 1HZ LYS 79 -9.081 -5.735 12.130 622 HZ3 LYS 79 2HZ LYS 79 -9.012 -7.389 11.755 623 H PHE 80 H PHE 80 -4.671 -5.654 6.030 624 HA PHE 80 HA PHE 80 -2.935 -6.165 8.244 625 HB2 PHE 80 2HB PHE 80 -0.807 -5.976 6.958 626 HB3 PHE 80 3HB PHE 80 -1.689 -7.467 6.668 627 HD1 PHE 80 HD2 PHE 80 -2.775 -7.869 4.514 628 HD2 PHE 80 HD1 PHE 80 -0.472 -4.361 5.219 629 HE1 PHE 80 HE2 PHE 80 -2.650 -7.471 2.091 630 HE2 PHE 80 HE1 PHE 80 -0.338 -3.961 2.793 631 HZ PHE 80 HZ PHE 80 -1.426 -5.514 1.230 632 H ARG 81 H ARG 81 -1.408 -4.398 8.629 633 HA ARG 81 HA ARG 81 -2.332 -1.853 7.472 634 HB2 ARG 81 2HB ARG 81 -1.472 -2.359 10.329 635 HB3 ARG 81 3HB ARG 81 -1.903 -0.794 9.656 636 HG2 ARG 81 2HG ARG 81 -4.177 -1.551 9.282 637 HG3 ARG 81 3HG ARG 81 -3.760 -3.156 9.882 638 HD2 ARG 81 2HD ARG 81 -3.644 -0.592 11.472 639 HD3 ARG 81 3HD ARG 81 -4.914 -1.811 11.577 640 HE ARG 81 HE ARG 81 -2.307 -2.899 12.057 641 HH11 ARG 81 1HH1 ARG 81 -5.013 -1.238 13.524 642 HH12 ARG 81 2HH1 ARG 81 -4.590 -1.701 15.146 643 HH21 ARG 81 1HH2 ARG 81 -1.732 -3.513 14.180 644 HH22 ARG 81 2HH2 ARG 81 -2.727 -3.011 15.523 645 H LEU 82 H LEU 82 -0.766 -0.358 6.977 646 HA LEU 82 HA LEU 82 2.011 -1.346 7.145 647 HB2 LEU 82 2HB LEU 82 0.687 0.218 4.930 648 HB3 LEU 82 3HB LEU 82 2.387 -0.206 4.985 649 HG LEU 82 HG LEU 82 0.178 -2.255 4.937 650 HD11 LEU 82 1HD1 LEU 82 1.794 -1.146 2.650 651 HD12 LEU 82 2HD1 LEU 82 0.063 -0.934 2.906 652 HD13 LEU 82 3HD1 LEU 82 0.714 -2.535 2.560 653 HD21 LEU 82 3HD2 LEU 82 3.140 -2.440 4.400 654 HD22 LEU 82 1HD2 LEU 82 1.984 -3.766 4.277 655 HD23 LEU 82 2HD2 LEU 82 2.312 -3.024 5.844 656 H TYR 83 H TYR 83 3.664 0.217 7.351 657 HA TYR 83 HA TYR 83 2.750 2.927 8.069 658 HB2 TYR 83 2HB TYR 83 5.025 1.291 9.200 659 HB3 TYR 83 3HB TYR 83 4.876 3.029 9.456 660 HD1 TYR 83 HD1 TYR 83 2.944 3.927 10.722 661 HD2 TYR 83 HD2 TYR 83 3.685 -0.253 10.426 662 HE1 TYR 83 HE1 TYR 83 1.453 3.533 12.632 663 HE2 TYR 83 HE2 TYR 83 2.187 -0.658 12.338 664 HH TYR 83 HH TYR 83 0.029 1.625 13.477 665 H TYR 84 H TYR 84 3.165 4.199 6.391 666 HA TYR 84 HA TYR 84 5.531 3.664 4.754 667 HB2 TYR 84 2HB TYR 84 3.411 3.896 3.558 668 HB3 TYR 84 3HB TYR 84 3.170 5.494 4.259 669 HD1 TYR 84 HD1 TYR 84 5.631 3.599 2.180 670 HD2 TYR 84 HD2 TYR 84 3.828 7.353 3.045 671 HE1 TYR 84 HE1 TYR 84 6.829 4.607 0.281 672 HE2 TYR 84 HE2 TYR 84 5.017 8.367 1.150 673 HH TYR 84 HH TYR 84 6.962 8.006 -0.205 674 H THR 85 H THR 85 7.299 4.604 5.490 675 HA THR 85 HA THR 85 7.151 7.252 6.706 676 HB THR 85 HB THR 85 9.518 5.387 6.431 677 HG1 THR 85 HG1 THR 85 7.853 5.987 8.680 678 HG21 THR 85 3HG2 THR 85 10.149 7.765 6.615 679 HG22 THR 85 1HG2 THR 85 10.604 6.850 8.052 680 HG23 THR 85 2HG2 THR 85 9.184 7.895 8.085 681 H SER 86 H SER 86 7.403 8.971 5.501 682 HA SER 86 HA SER 86 8.527 8.850 2.863 683 HB2 SER 86 2HB SER 86 7.578 11.181 4.540 684 HB3 SER 86 3HB SER 86 8.026 11.277 2.835 685 HG SER 86 HG SER 86 6.353 9.828 2.364 686 H GLN 87 H GLN 87 10.535 9.262 2.285 687 HA GLN 87 HA GLN 87 12.358 10.501 4.235 688 HB2 GLN 87 2HB GLN 87 14.114 8.928 3.384 689 HB3 GLN 87 3HB GLN 87 12.813 8.146 4.275 690 HG2 GLN 87 2HG GLN 87 11.786 7.408 2.238 691 HG3 GLN 87 3HG GLN 87 12.949 8.314 1.275 692 HE21 GLN 87 1HE2 GLN 87 13.913 6.604 4.137 693 HE22 GLN 87 2HE2 GLN 87 14.760 5.324 3.332 694 H SER 88 H SER 88 11.090 10.508 1.105 695 HA SER 88 HA SER 88 13.135 12.353 0.194 696 HB2 SER 88 2HB SER 88 13.021 10.878 -2.045 697 HB3 SER 88 3HB SER 88 14.208 10.585 -0.776 698 HG SER 88 HG SER 88 11.692 9.283 -1.011 699 H ASP 89 H ASP 89 10.761 13.268 0.792 700 HA ASP 89 HA ASP 89 9.246 13.459 -1.715 701 HB2 ASP 89 2HB ASP 89 7.956 13.001 0.368 702 HB3 ASP 89 3HB ASP 89 8.525 14.529 1.029 703 H LYS 90 H LYS 90 9.613 15.148 -2.997 704 HA LYS 90 HA LYS 90 10.035 17.764 -1.803 705 HB2 LYS 90 2HB LYS 90 11.984 18.307 -3.038 706 HB3 LYS 90 3HB LYS 90 12.301 16.736 -2.323 707 HG2 LYS 90 2HG LYS 90 13.007 16.202 -4.380 708 HG3 LYS 90 3HG LYS 90 11.289 16.016 -4.741 709 HD2 LYS 90 2HD LYS 90 11.237 18.400 -5.437 710 HD3 LYS 90 3HD LYS 90 12.982 18.468 -5.204 711 HE2 LYS 90 2HE LYS 90 13.279 16.734 -6.896 712 HE3 LYS 90 3HE LYS 90 11.531 16.649 -7.118 713 HZ1 LYS 90 3HZ LYS 90 13.329 18.919 -7.760 714 HZ2 LYS 90 1HZ LYS 90 11.637 19.066 -7.710 715 HZ3 LYS 90 2HZ LYS 90 12.362 18.017 -8.824 716 H GLU 91 H GLU 91 8.219 15.938 -3.549 717 HA GLU 91 HA GLU 91 7.211 18.014 -5.256 718 HB2 GLU 91 2HB GLU 91 8.972 17.083 -6.694 719 HB3 GLU 91 3HB GLU 91 8.313 15.468 -6.474 720 HG2 GLU 91 2HG GLU 91 6.253 16.161 -7.608 721 HG3 GLU 91 3HG GLU 91 6.931 17.772 -7.840 722 H ALA 92 H ALA 92 7.091 14.458 -5.227 723 HA ALA 92 HA ALA 92 4.520 14.428 -3.938 724 HB1 ALA 92 3HB ALA 92 3.843 14.922 -6.231 725 HB2 ALA 92 1HB ALA 92 3.339 13.299 -5.764 726 HB3 ALA 92 2HB ALA 92 4.741 13.518 -6.809 727 H GLN 93 H GLN 93 3.744 12.193 -3.616 728 HA GLN 93 HA GLN 93 5.834 10.151 -3.944 729 HB2 GLN 93 2HB GLN 93 4.269 10.731 -1.426 730 HB3 GLN 93 3HB GLN 93 5.142 9.230 -1.693 731 HG2 GLN 93 2HG GLN 93 7.233 10.466 -1.858 732 HG3 GLN 93 3HG GLN 93 6.361 11.981 -1.623 733 HE21 GLN 93 1HE2 GLN 93 5.617 12.526 0.381 734 HE22 GLN 93 2HE2 GLN 93 6.068 11.675 1.825 735 H THR 94 H THR 94 4.667 9.315 -5.690 736 HA THR 94 HA THR 94 2.007 8.244 -5.058 737 HB THR 94 HB THR 94 3.311 8.260 -7.775 738 HG1 THR 94 HG1 THR 94 3.259 10.406 -7.078 739 HG21 THR 94 3HG2 THR 94 1.346 6.832 -7.514 740 HG22 THR 94 1HG2 THR 94 0.988 8.207 -8.560 741 HG23 THR 94 2HG2 THR 94 0.426 8.201 -6.888 742 H ILE 95 H ILE 95 1.765 6.159 -4.649 743 HA ILE 95 HA ILE 95 3.954 4.311 -5.358 744 HB ILE 95 HB ILE 95 3.281 2.930 -3.443 745 HG12 ILE 95 2HG1 ILE 95 1.367 5.182 -2.777 746 HG13 ILE 95 3HG1 ILE 95 0.892 3.605 -3.402 747 HG21 ILE 95 1HG2 ILE 95 5.015 4.622 -3.146 748 HG22 ILE 95 2HG2 ILE 95 4.084 4.392 -1.666 749 HG23 ILE 95 3HG2 ILE 95 3.790 5.803 -2.682 750 HD11 ILE 95 3HD1 ILE 95 0.566 3.778 -0.992 751 HD12 ILE 95 1HD1 ILE 95 2.288 4.094 -0.780 752 HD13 ILE 95 2HD1 ILE 95 1.747 2.534 -1.401 753 H ASP 96 H ASP 96 3.377 2.203 -6.043 754 HA ASP 96 HA ASP 96 0.601 1.979 -7.004 755 HB2 ASP 96 2HB ASP 96 2.942 2.138 -8.551 756 HB3 ASP 96 3HB ASP 96 2.470 0.440 -8.584 757 H LEU 97 H LEU 97 -0.363 0.489 -5.805 758 HA LEU 97 HA LEU 97 1.178 -1.758 -4.747 759 HB2 LEU 97 2HB LEU 97 -1.645 -0.848 -4.178 760 HB3 LEU 97 3HB LEU 97 -0.847 -2.193 -3.389 761 HG LEU 97 HG LEU 97 0.033 0.690 -3.205 762 HD11 LEU 97 1HD1 LEU 97 -1.381 -1.066 -1.204 763 HD12 LEU 97 2HD1 LEU 97 -2.085 0.302 -2.064 764 HD13 LEU 97 3HD1 LEU 97 -0.781 0.564 -0.906 765 HD21 LEU 97 3HD2 LEU 97 1.877 -0.891 -2.991 766 HD22 LEU 97 1HD2 LEU 97 0.982 -1.776 -1.755 767 HD23 LEU 97 2HD2 LEU 97 1.514 -0.123 -1.445 768 H TYR 98 H TYR 98 1.326 -3.439 -6.082 769 HA TYR 98 HA TYR 98 -0.982 -4.151 -7.732 770 HB2 TYR 98 2HB TYR 98 1.817 -5.302 -7.729 771 HB3 TYR 98 3HB TYR 98 0.538 -5.709 -8.869 772 HD1 TYR 98 HD1 TYR 98 -0.434 -3.729 -10.245 773 HD2 TYR 98 HD2 TYR 98 3.319 -3.616 -8.247 774 HE1 TYR 98 HE1 TYR 98 0.277 -1.883 -11.698 775 HE2 TYR 98 HE2 TYR 98 4.041 -1.768 -9.699 776 HH TYR 98 HH TYR 98 1.979 0.068 -11.467 777 H PHE 99 H PHE 99 -2.416 -5.172 -6.471 778 HA PHE 99 HA PHE 99 -1.527 -7.301 -4.686 779 HB2 PHE 99 2HB PHE 99 -4.273 -6.143 -5.216 780 HB3 PHE 99 3HB PHE 99 -3.947 -7.440 -4.073 781 HD1 PHE 99 HD2 PHE 99 -2.568 -6.982 -2.062 782 HD2 PHE 99 HD1 PHE 99 -3.890 -3.883 -4.657 783 HE1 PHE 99 HE2 PHE 99 -2.117 -5.323 -0.304 784 HE2 PHE 99 HE1 PHE 99 -3.444 -2.217 -2.901 785 HZ PHE 99 HZ PHE 99 -2.557 -2.937 -0.721 786 H GLU 100 H GLU 100 -1.236 -9.243 -5.512 787 HA GLU 100 HA GLU 100 -3.045 -10.144 -7.656 788 HB2 GLU 100 2HB GLU 100 -0.576 -9.911 -8.197 789 HB3 GLU 100 3HB GLU 100 -0.274 -11.181 -7.025 790 HG2 GLU 100 2HG GLU 100 -1.457 -12.777 -8.348 791 HG3 GLU 100 3HG GLU 100 -2.016 -11.518 -9.452 792 H ASP 101 H ASP 101 -4.445 -11.695 -7.021 793 HA ASP 101 HA ASP 101 -3.775 -13.101 -4.518 794 HB2 ASP 101 2HB ASP 101 -6.239 -13.259 -4.095 795 HB3 ASP 101 3HB ASP 101 -5.593 -11.625 -4.053 796 H ASN 102 H ASN 102 -6.656 -14.101 -6.098 797 HA ASN 102 HA ASN 102 -5.656 -16.725 -6.571 798 HB2 ASN 102 2HB ASN 102 -8.054 -16.288 -6.145 799 HB3 ASN 102 3HB ASN 102 -8.157 -15.376 -7.648 800 HD21 ASN 102 1HD2 ASN 102 -9.706 -16.709 -8.547 801 HD22 ASN 102 2HD2 ASN 102 -9.351 -18.326 -9.066 802 H TRP 103 H TRP 103 -4.374 -17.310 -8.165 803 HA TRP 103 HA TRP 103 -3.133 -15.766 -9.963 804 HB2 TRP 103 2HB TRP 103 -2.831 -17.883 -11.382 805 HB3 TRP 103 3HB TRP 103 -2.287 -17.937 -9.711 806 HD1 TRP 103 HD1 TRP 103 -4.160 -19.159 -7.963 807 HE1 TRP 103 HE1 TRP 103 -5.564 -21.272 -8.396 808 HE3 TRP 103 HE3 TRP 103 -3.912 -19.269 -13.072 809 HZ2 TRP 103 HZ2 TRP 103 -6.439 -22.790 -10.604 810 HZ3 TRP 103 HZ3 TRP 103 -5.059 -21.089 -14.264 811 HH2 TRP 103 HH2 TRP 103 -6.294 -22.811 -13.056 812 H GLY 104 H GLY 104 -3.993 -14.317 -11.235 813 HA2 GLY 104 2HA GLY 104 -4.984 -14.206 -13.575 814 HA3 GLY 104 3HA GLY 104 -6.360 -15.025 -12.842 815 H ASN 105 H ASN 105 -6.128 -13.598 -10.319 816 HA ASN 105 HA ASN 105 -7.506 -11.158 -11.117 817 HB2 ASN 105 2HB ASN 105 -7.029 -12.293 -8.351 818 HB3 ASN 105 3HB ASN 105 -8.062 -10.924 -8.735 819 HD21 ASN 105 1HD2 ASN 105 -8.743 -13.302 -7.358 820 HD22 ASN 105 2HD2 ASN 105 -9.983 -14.103 -8.285 821 H LEU 106 H LEU 106 -6.479 -9.315 -11.316 822 HA LEU 106 HA LEU 106 -4.200 -8.744 -9.541 823 HB2 LEU 106 2HB LEU 106 -3.485 -9.045 -11.879 824 HB3 LEU 106 3HB LEU 106 -4.616 -7.806 -12.386 825 HG LEU 106 HG LEU 106 -3.338 -6.151 -11.019 826 HD11 LEU 106 1HD1 LEU 106 -1.421 -8.456 -10.698 827 HD12 LEU 106 2HD1 LEU 106 -2.331 -7.661 -9.415 828 HD13 LEU 106 3HD1 LEU 106 -1.075 -6.777 -10.283 829 HD21 LEU 106 3HD2 LEU 106 -2.945 -6.368 -13.418 830 HD22 LEU 106 1HD2 LEU 106 -1.751 -7.630 -13.116 831 HD23 LEU 106 2HD2 LEU 106 -1.450 -5.982 -12.563 832 H GLN 107 H GLN 107 -4.467 -7.030 -8.270 833 HA GLN 107 HA GLN 107 -6.554 -5.064 -8.981 834 HB2 GLN 107 2HB GLN 107 -7.195 -6.473 -7.059 835 HB3 GLN 107 3HB GLN 107 -5.715 -6.017 -6.232 836 HG2 GLN 107 2HG GLN 107 -7.534 -4.770 -5.322 837 HG3 GLN 107 3HG GLN 107 -6.482 -3.676 -6.215 838 HE21 GLN 107 1HE2 GLN 107 -9.575 -5.284 -6.173 839 HE22 GLN 107 2HE2 GLN 107 -10.331 -4.281 -7.362 840 H GLN 108 H GLN 108 -5.612 -3.224 -9.567 841 HA GLN 108 HA GLN 108 -2.990 -2.551 -8.436 842 HB2 GLN 108 2HB GLN 108 -3.112 -2.651 -10.880 843 HB3 GLN 108 3HB GLN 108 -4.418 -1.473 -10.876 844 HG2 GLN 108 2HG GLN 108 -2.879 0.186 -9.901 845 HG3 GLN 108 3HG GLN 108 -1.574 -0.996 -10.008 846 HE21 GLN 108 1HE2 GLN 108 -0.371 0.307 -11.383 847 HE22 GLN 108 2HE2 GLN 108 -0.812 0.536 -13.055 848 H LEU 109 H LEU 109 -3.148 -1.327 -6.671 849 HA LEU 109 HA LEU 109 -5.101 0.882 -6.694 850 HB2 LEU 109 2HB LEU 109 -3.812 -0.517 -4.348 851 HB3 LEU 109 3HB LEU 109 -4.863 0.880 -4.224 852 HG LEU 109 HG LEU 109 -5.660 -1.846 -5.246 853 HD11 LEU 109 1HD1 LEU 109 -6.420 -0.387 -2.720 854 HD12 LEU 109 2HD1 LEU 109 -5.291 -1.738 -2.821 855 HD13 LEU 109 3HD1 LEU 109 -6.990 -1.975 -3.226 856 HD21 LEU 109 3HD2 LEU 109 -7.929 -0.948 -5.301 857 HD22 LEU 109 1HD2 LEU 109 -6.868 -0.058 -6.393 858 HD23 LEU 109 2HD2 LEU 109 -7.317 0.639 -4.836 859 H THR 110 H THR 110 -4.162 2.740 -7.208 860 HA THR 110 HA THR 110 -1.369 3.156 -6.409 861 HB THR 110 HB THR 110 -1.882 3.273 -8.847 862 HG1 THR 110 HG1 THR 110 -0.098 4.388 -8.367 863 HG21 THR 110 3HG2 THR 110 -3.415 5.762 -8.093 864 HG22 THR 110 1HG2 THR 110 -4.115 4.269 -8.717 865 HG23 THR 110 2HG2 THR 110 -3.045 5.234 -9.733 866 H TYR 111 H TYR 111 -0.787 4.947 -5.235 867 HA TYR 111 HA TYR 111 -2.993 6.624 -4.241 868 HB2 TYR 111 2HB TYR 111 -0.816 5.281 -2.640 869 HB3 TYR 111 3HB TYR 111 -1.815 6.585 -2.007 870 HD1 TYR 111 HD1 TYR 111 -1.745 3.062 -3.015 871 HD2 TYR 111 HD2 TYR 111 -4.160 6.206 -1.471 872 HE1 TYR 111 HE1 TYR 111 -3.449 1.421 -2.348 873 HE2 TYR 111 HE2 TYR 111 -5.868 4.570 -0.798 874 HH TYR 111 HH TYR 111 -6.584 2.299 -1.435 875 H ASP 112 H ASP 112 -2.654 8.679 -4.567 876 HA ASP 112 HA ASP 112 0.044 9.633 -5.183 877 HB2 ASP 112 2HB ASP 112 -2.624 11.043 -5.478 878 HB3 ASP 112 3HB ASP 112 -1.075 11.635 -6.061 879 H PHE 113 H PHE 113 1.152 10.283 -3.439 880 HA PHE 113 HA PHE 113 -0.238 11.979 -1.463 881 HB2 PHE 113 2HB PHE 113 2.277 10.332 -1.111 882 HB3 PHE 113 3HB PHE 113 1.560 11.366 0.118 883 HD1 PHE 113 HD1 PHE 113 -0.789 10.785 0.928 884 HD2 PHE 113 HD2 PHE 113 1.641 8.108 -1.324 885 HE1 PHE 113 HE1 PHE 113 -2.122 8.889 1.749 886 HE2 PHE 113 HE2 PHE 113 0.303 6.208 -0.509 887 HZ PHE 113 HZ PHE 113 -1.582 6.598 1.028 888 H ASN 114 H ASN 114 1.294 13.604 -0.418 889 HA ASN 114 HA ASN 114 3.662 14.392 -1.755 890 HB2 ASN 114 2HB ASN 114 2.811 16.615 -2.604 891 HB3 ASN 114 3HB ASN 114 2.324 15.213 -3.540 892 HD21 ASN 114 1HD2 ASN 114 0.838 16.163 -0.479 893 HD22 ASN 114 2HD2 ASN 114 -0.696 16.599 -1.165 894 H GLY 115 H GLY 115 4.749 16.094 -0.706 895 HA2 GLY 115 2HA GLY 115 3.361 17.202 1.660 896 HA3 GLY 115 3HA GLY 115 5.024 16.633 1.738 897 H LYS 116 H LYS 116 3.072 18.798 -0.319 898 HA LYS 116 HA LYS 116 5.427 20.536 -0.510 899 HB2 LYS 116 2HB LYS 116 4.201 21.481 -2.531 900 HB3 LYS 116 3HB LYS 116 4.860 19.861 -2.671 901 HG2 LYS 116 2HG LYS 116 2.686 18.894 -2.371 902 HG3 LYS 116 3HG LYS 116 1.987 20.478 -2.043 903 HD2 LYS 116 2HD LYS 116 1.568 19.637 -4.352 904 HD3 LYS 116 3HD LYS 116 2.383 21.197 -4.292 905 HE2 LYS 116 2HE LYS 116 4.025 18.711 -4.478 906 HE3 LYS 116 3HE LYS 116 3.201 19.300 -5.920 907 HZ1 LYS 116 3HZ LYS 116 5.063 20.924 -4.265 908 HZ2 LYS 116 1HZ LYS 116 4.346 21.392 -5.726 909 HZ3 LYS 116 2HZ LYS 116 5.493 20.142 -5.702 910 H LEU 117 H LEU 117 3.111 20.487 1.555 911 HA LEU 117 HA LEU 117 2.420 23.326 1.272 912 HB2 LEU 117 2HB LEU 117 1.230 21.107 2.905 913 HB3 LEU 117 3HB LEU 117 0.954 22.784 3.342 914 HG LEU 117 HG LEU 117 0.178 21.460 0.742 915 HD11 LEU 117 1HD1 LEU 117 -2.101 21.891 1.489 916 HD12 LEU 117 2HD1 LEU 117 -1.485 22.565 2.997 917 HD13 LEU 117 3HD1 LEU 117 -1.239 20.858 2.629 918 HD21 LEU 117 3HD2 LEU 117 -0.179 24.318 1.648 919 HD22 LEU 117 1HD2 LEU 117 -0.871 23.610 0.187 920 HD23 LEU 117 2HD2 LEU 117 0.877 23.761 0.351 921 H GLU 118 H GLU 118 3.805 21.012 3.572 922 HA GLU 118 HA GLU 118 4.567 23.126 5.372 923 HB2 GLU 118 2HB GLU 118 4.929 20.150 5.380 924 HB3 GLU 118 3HB GLU 118 5.796 21.164 6.526 925 HG2 GLU 118 2HG GLU 118 2.806 21.166 6.195 926 HG3 GLU 118 3HG GLU 118 3.675 20.213 7.400 927 H HIS 119 H HIS 119 5.917 24.433 4.231 928 HA HIS 119 HA HIS 119 8.343 23.478 3.048 929 HB2 HIS 119 2HB HIS 119 8.964 25.921 2.968 930 HB3 HIS 119 3HB HIS 119 7.462 25.518 2.150 931 HD1 HIS 119 HD1 HIS 119 8.869 27.778 4.643 932 HD2 HIS 119 HD2 HIS 119 5.104 26.282 3.696 933 HE1 HIS 119 HE1 HIS 119 7.226 29.312 5.767 934 HE2 HIS 119 HE2 HIS 119 4.959 28.313 5.287 935 H HIS 120 H HIS 120 9.875 22.633 4.223 936 HA HIS 120 HA HIS 120 10.110 22.690 6.980 937 HB2 HIS 120 2HB HIS 120 11.164 21.083 5.303 938 HB3 HIS 120 3HB HIS 120 12.425 22.285 5.083 939 HD1 HIS 120 HD1 HIS 120 14.438 21.511 6.274 940 HD2 HIS 120 HD2 HIS 120 10.967 20.678 8.406 941 HE1 HIS 120 HE1 HIS 120 15.199 20.415 8.404 942 HE2 HIS 120 HE2 HIS 120 13.068 19.681 9.538 943 H HIS 121 H HIS 121 10.290 24.538 8.119 944 HA HIS 121 HA HIS 121 11.775 26.781 7.087 945 HB2 HIS 121 2HB HIS 121 11.085 27.931 9.202 946 HB3 HIS 121 3HB HIS 121 9.753 27.327 8.234 947 HD1 HIS 121 HD1 HIS 121 11.653 26.527 11.416 948 HD2 HIS 121 HD2 HIS 121 8.040 25.647 9.549 949 HE1 HIS 121 HE1 HIS 121 10.281 25.306 13.130 950 HE2 HIS 121 HE2 HIS 121 8.045 24.914 12.035 951 H HIS 122 H HIS 122 13.602 24.975 7.192 952 HA HIS 122 HA HIS 122 15.617 26.139 8.782 953 HB2 HIS 122 2HB HIS 122 14.459 24.698 10.531 954 HB3 HIS 122 3HB HIS 122 14.948 23.296 9.585 955 HD1 HIS 122 HD1 HIS 122 16.157 25.671 12.115 956 HD2 HIS 122 HD2 HIS 122 17.821 22.919 9.479 957 HE1 HIS 122 HE1 HIS 122 18.515 25.316 12.909 958 HE2 HIS 122 HE2 HIS 122 19.567 23.839 11.156 959 H HIS 123 H HIS 123 17.449 25.881 7.647 960 HA HIS 123 HA HIS 123 17.412 24.233 5.305 961 HB2 HIS 123 2HB HIS 123 18.559 26.393 5.290 962 HB3 HIS 123 3HB HIS 123 19.654 25.839 6.554 963 HD1 HIS 123 HD1 HIS 123 18.866 25.310 2.890 964 HD2 HIS 123 HD2 HIS 123 21.827 24.374 5.666 965 HE1 HIS 123 HE1 HIS 123 20.767 24.336 1.565 966 HE2 HIS 123 HE2 HIS 123 22.606 23.951 3.239 967 H HIS 124 H HIS 124 17.644 22.114 5.437 968 HA HIS 124 HA HIS 124 19.239 20.895 7.524 969 HB2 HIS 124 2HB HIS 124 17.091 19.878 6.803 970 HB3 HIS 124 3HB HIS 124 17.776 19.607 5.203 971 HD1 HIS 124 HD1 HIS 124 18.051 18.434 8.763 972 HD2 HIS 124 HD2 HIS 124 19.390 17.364 4.974 973 HE1 HIS 124 HE1 HIS 124 19.080 16.151 9.025 974 HE2 HIS 124 HE2 HIS 124 19.698 15.446 6.685 Start of MODEL 15 1 H1 MET 1 1H MET 1 -41.484 -10.402 -7.663 2 H2 MET 1 2H MET 1 -42.362 -11.835 -7.877 3 H3 MET 1 3H MET 1 -41.487 -11.587 -6.451 4 HA MET 1 HA MET 1 -43.904 -10.138 -7.355 5 HB2 MET 1 2HB MET 1 -44.323 -12.318 -6.300 6 HB3 MET 1 3HB MET 1 -43.355 -11.841 -4.912 7 HG2 MET 1 2HG MET 1 -44.957 -10.015 -4.471 8 HG3 MET 1 3HG MET 1 -45.946 -10.601 -5.806 9 HE1 MET 1 3HE MET 1 -47.029 -10.170 -2.809 10 HE2 MET 1 1HE MET 1 -48.033 -11.610 -2.644 11 HE3 MET 1 2HE MET 1 -48.028 -10.709 -4.161 12 H ASN 2 H ASN 2 -41.378 -10.353 -4.867 13 HA ASN 2 HA ASN 2 -42.109 -7.915 -3.594 14 HB2 ASN 2 2HB ASN 2 -39.862 -8.122 -2.485 15 HB3 ASN 2 3HB ASN 2 -40.897 -9.532 -2.295 16 HD21 ASN 2 1HD2 ASN 2 -38.002 -9.283 -2.083 17 HD22 ASN 2 2HD2 ASN 2 -37.343 -10.398 -3.231 18 H GLU 3 H GLU 3 -41.426 -5.892 -3.921 19 HA GLU 3 HA GLU 3 -40.296 -5.313 -6.495 20 HB2 GLU 3 2HB GLU 3 -40.554 -2.916 -5.759 21 HB3 GLU 3 3HB GLU 3 -42.033 -3.861 -5.801 22 HG2 GLU 3 2HG GLU 3 -40.475 -3.453 -3.269 23 HG3 GLU 3 3HG GLU 3 -41.684 -2.299 -3.826 24 H LEU 4 H LEU 4 -39.040 -5.820 -3.397 25 HA LEU 4 HA LEU 4 -36.573 -4.385 -3.922 26 HB2 LEU 4 2HB LEU 4 -37.390 -6.229 -1.672 27 HB3 LEU 4 3HB LEU 4 -35.800 -5.510 -1.804 28 HG LEU 4 HG LEU 4 -36.978 -3.245 -1.746 29 HD11 LEU 4 1HD1 LEU 4 -39.237 -4.033 -2.232 30 HD12 LEU 4 2HD1 LEU 4 -39.165 -3.191 -0.684 31 HD13 LEU 4 3HD1 LEU 4 -39.242 -4.953 -0.726 32 HD21 LEU 4 3HD2 LEU 4 -37.107 -5.044 0.669 33 HD22 LEU 4 1HD2 LEU 4 -37.137 -3.280 0.693 34 HD23 LEU 4 2HD2 LEU 4 -35.700 -4.132 0.123 35 H ASP 5 H ASP 5 -35.553 -5.279 -5.622 36 HA ASP 5 HA ASP 5 -35.596 -7.984 -6.341 37 HB2 ASP 5 2HB ASP 5 -33.626 -5.797 -7.016 38 HB3 ASP 5 3HB ASP 5 -33.554 -7.408 -7.721 39 H ILE 6 H ILE 6 -33.999 -9.600 -6.207 40 HA ILE 6 HA ILE 6 -32.733 -9.859 -3.707 41 HB ILE 6 HB ILE 6 -32.286 -11.377 -6.292 42 HG12 ILE 6 2HG1 ILE 6 -33.438 -13.212 -4.930 43 HG13 ILE 6 3HG1 ILE 6 -33.869 -11.953 -3.780 44 HG21 ILE 6 1HG2 ILE 6 -31.117 -13.061 -4.924 45 HG22 ILE 6 2HG2 ILE 6 -31.199 -11.968 -3.541 46 HG23 ILE 6 3HG2 ILE 6 -30.266 -11.516 -4.968 47 HD11 ILE 6 3HD1 ILE 6 -35.687 -12.480 -5.322 48 HD12 ILE 6 1HD1 ILE 6 -34.669 -12.004 -6.680 49 HD13 ILE 6 2HD1 ILE 6 -35.155 -10.807 -5.479 50 H GLN 7 H GLN 7 -30.624 -9.530 -3.083 51 HA GLN 7 HA GLN 7 -29.432 -7.251 -4.187 52 HB2 GLN 7 2HB GLN 7 -28.185 -9.267 -2.319 53 HB3 GLN 7 3HB GLN 7 -27.642 -7.614 -2.574 54 HG2 GLN 7 2HG GLN 7 -30.282 -8.452 -1.397 55 HG3 GLN 7 3HG GLN 7 -28.897 -7.823 -0.507 56 HE21 GLN 7 1HE2 GLN 7 -31.509 -7.050 -2.675 57 HE22 GLN 7 2HE2 GLN 7 -31.412 -5.333 -2.492 58 H GLN 8 H GLN 8 -27.363 -6.970 -5.136 59 HA GLN 8 HA GLN 8 -26.983 -8.812 -7.292 60 HB2 GLN 8 2HB GLN 8 -25.356 -7.203 -8.120 61 HB3 GLN 8 3HB GLN 8 -26.835 -6.390 -7.636 62 HG2 GLN 8 2HG GLN 8 -25.700 -5.851 -5.460 63 HG3 GLN 8 3HG GLN 8 -24.209 -6.451 -6.182 64 HE21 GLN 8 1HE2 GLN 8 -25.084 -5.411 -8.851 65 HE22 GLN 8 2HE2 GLN 8 -24.782 -3.704 -8.777 66 H GLU 9 H GLU 9 -24.315 -8.862 -7.811 67 HA GLU 9 HA GLU 9 -23.543 -10.986 -6.077 68 HB2 GLU 9 2HB GLU 9 -21.616 -11.231 -7.529 69 HB3 GLU 9 3HB GLU 9 -23.075 -11.031 -8.487 70 HG2 GLU 9 2HG GLU 9 -22.489 -8.669 -8.841 71 HG3 GLU 9 3HG GLU 9 -21.005 -8.920 -7.922 72 H TYR 10 H TYR 10 -21.800 -11.147 -4.732 73 HA TYR 10 HA TYR 10 -20.369 -8.658 -4.070 74 HB2 TYR 10 2HB TYR 10 -22.154 -9.311 -2.372 75 HB3 TYR 10 3HB TYR 10 -21.192 -10.746 -2.041 76 HD1 TYR 10 HD1 TYR 10 -21.006 -7.024 -2.027 77 HD2 TYR 10 HD2 TYR 10 -19.495 -10.668 -0.434 78 HE1 TYR 10 HE1 TYR 10 -19.731 -5.754 -0.350 79 HE2 TYR 10 HE2 TYR 10 -18.212 -9.407 1.246 80 HH TYR 10 HH TYR 10 -18.694 -6.030 1.792 81 HA PRO 11 HA PRO 11 -17.480 -12.047 -5.208 82 HB2 PRO 11 2HB PRO 11 -15.918 -10.031 -6.572 83 HB3 PRO 11 3HB PRO 11 -16.799 -11.394 -7.261 84 HG2 PRO 11 2HG PRO 11 -17.526 -8.786 -7.632 85 HG3 PRO 11 3HG PRO 11 -18.666 -10.140 -7.682 86 HD2 PRO 11 2HD PRO 11 -18.121 -8.206 -5.461 87 HD3 PRO 11 3HD PRO 11 -19.668 -8.876 -6.024 88 H PHE 12 H PHE 12 -16.057 -8.803 -4.822 89 HA PHE 12 HA PHE 12 -14.734 -9.602 -2.378 90 HB2 PHE 12 2HB PHE 12 -12.473 -9.162 -3.163 91 HB3 PHE 12 3HB PHE 12 -13.190 -10.434 -4.142 92 HD1 PHE 12 HD2 PHE 12 -14.023 -9.865 -6.448 93 HD2 PHE 12 HD1 PHE 12 -11.673 -7.182 -4.127 94 HE1 PHE 12 HE2 PHE 12 -13.445 -8.614 -8.487 95 HE2 PHE 12 HE1 PHE 12 -11.091 -5.926 -6.160 96 HZ PHE 12 HZ PHE 12 -11.976 -6.641 -8.344 97 H THR 13 H THR 13 -13.678 -7.758 -1.336 98 HA THR 13 HA THR 13 -14.436 -5.161 -2.454 99 HB THR 13 HB THR 13 -15.122 -6.023 0.365 100 HG1 THR 13 HG1 THR 13 -16.517 -5.994 -2.032 101 HG21 THR 13 3HG2 THR 13 -14.508 -3.648 0.224 102 HG22 THR 13 1HG2 THR 13 -16.233 -3.848 0.542 103 HG23 THR 13 2HG2 THR 13 -15.677 -3.426 -1.077 104 H VAL 14 H VAL 14 -12.873 -3.729 -2.277 105 HA VAL 14 HA VAL 14 -10.668 -4.266 -0.399 106 HB VAL 14 HB VAL 14 -10.667 -2.452 -2.822 107 HG11 VAL 14 1HG1 VAL 14 -9.063 -1.781 -1.124 108 HG12 VAL 14 2HG1 VAL 14 -8.234 -2.454 -2.527 109 HG13 VAL 14 3HG1 VAL 14 -8.416 -3.420 -1.063 110 HG21 VAL 14 3HG2 VAL 14 -9.586 -5.250 -2.495 111 HG22 VAL 14 1HG2 VAL 14 -9.255 -4.199 -3.870 112 HG23 VAL 14 2HG2 VAL 14 -10.904 -4.740 -3.553 113 H GLU 15 H GLU 15 -11.101 -3.213 1.454 114 HA GLU 15 HA GLU 15 -12.150 -0.468 1.244 115 HB2 GLU 15 2HB GLU 15 -13.156 -0.842 3.478 116 HB3 GLU 15 3HB GLU 15 -13.791 -1.927 2.248 117 HG2 GLU 15 2HG GLU 15 -12.090 -3.617 3.104 118 HG3 GLU 15 3HG GLU 15 -11.894 -2.541 4.484 119 H SER 16 H SER 16 -11.218 1.133 2.411 120 HA SER 16 HA SER 16 -9.035 0.500 4.233 121 HB2 SER 16 2HB SER 16 -8.059 0.735 1.919 122 HB3 SER 16 3HB SER 16 -8.645 2.398 1.902 123 HG SER 16 HG SER 16 -6.825 1.292 3.789 124 H MET 17 H MET 17 -8.190 2.655 5.184 125 HA MET 17 HA MET 17 -10.559 4.272 5.823 126 HB2 MET 17 2HB MET 17 -9.493 4.811 7.918 127 HB3 MET 17 3HB MET 17 -9.445 3.069 7.704 128 HG2 MET 17 2HG MET 17 -7.107 3.261 6.937 129 HG3 MET 17 3HG MET 17 -7.175 4.993 7.264 130 HE1 MET 17 3HE MET 17 -4.904 3.229 8.497 131 HE2 MET 17 1HE MET 17 -4.899 3.764 10.178 132 HE3 MET 17 2HE MET 17 -5.096 4.940 8.879 133 HA PRO 18 HA PRO 18 -8.974 7.965 3.982 134 HB2 PRO 18 2HB PRO 18 -9.204 9.754 6.099 135 HB3 PRO 18 3HB PRO 18 -10.497 9.331 4.972 136 HG2 PRO 18 2HG PRO 18 -9.956 8.274 7.712 137 HG3 PRO 18 3HG PRO 18 -11.506 8.666 6.945 138 HD2 PRO 18 2HD PRO 18 -10.688 6.134 7.180 139 HD3 PRO 18 3HD PRO 18 -11.537 6.690 5.720 140 H VAL 19 H VAL 19 -6.970 8.708 3.634 141 HA VAL 19 HA VAL 19 -5.015 8.398 5.809 142 HB VAL 19 HB VAL 19 -3.278 8.321 4.006 143 HG11 VAL 19 1HG1 VAL 19 -3.746 5.987 3.361 144 HG12 VAL 19 2HG1 VAL 19 -5.394 6.171 3.960 145 HG13 VAL 19 3HG1 VAL 19 -4.034 6.280 5.076 146 HG21 VAL 19 3HG2 VAL 19 -3.985 7.793 1.726 147 HG22 VAL 19 1HG2 VAL 19 -4.551 9.391 2.222 148 HG23 VAL 19 2HG2 VAL 19 -5.669 8.026 2.193 149 H ALA 20 H ALA 20 -3.020 9.911 5.348 150 HA ALA 20 HA ALA 20 -4.134 12.556 5.640 151 HB1 ALA 20 3HB ALA 20 -2.424 11.715 7.192 152 HB2 ALA 20 1HB ALA 20 -1.921 13.202 6.383 153 HB3 ALA 20 2HB ALA 20 -1.269 11.649 5.860 154 H ASP 21 H ASP 21 -4.259 14.026 4.097 155 HA ASP 21 HA ASP 21 -2.853 13.676 1.601 156 HB2 ASP 21 2HB ASP 21 -5.101 15.404 2.534 157 HB3 ASP 21 3HB ASP 21 -4.126 15.974 1.183 158 H GLU 22 H GLU 22 -1.486 15.177 0.753 159 HA GLU 22 HA GLU 22 0.452 16.349 0.801 160 HB2 GLU 22 2HB GLU 22 -1.267 17.978 2.632 161 HB3 GLU 22 3HB GLU 22 0.429 18.393 2.429 162 HG2 GLU 22 2HG GLU 22 -0.818 19.730 0.926 163 HG3 GLU 22 3HG GLU 22 0.025 18.512 -0.029 164 H ILE 23 H ILE 23 1.682 14.654 1.589 165 HA ILE 23 HA ILE 23 2.159 14.509 4.456 166 HB ILE 23 HB ILE 23 1.917 12.411 3.164 167 HG12 ILE 23 2HG1 ILE 23 4.709 12.772 4.276 168 HG13 ILE 23 3HG1 ILE 23 3.270 12.463 5.242 169 HG21 ILE 23 1HG2 ILE 23 4.457 13.278 1.794 170 HG22 ILE 23 2HG2 ILE 23 2.860 13.137 1.057 171 HG23 ILE 23 3HG2 ILE 23 3.693 11.694 1.635 172 HD11 ILE 23 3HD1 ILE 23 2.993 10.306 4.139 173 HD12 ILE 23 1HD1 ILE 23 4.571 10.443 4.917 174 HD13 ILE 23 2HD1 ILE 23 4.434 10.620 3.167 175 H ALA 24 H ALA 24 4.280 14.764 5.336 176 HA ALA 24 HA ALA 24 5.729 16.883 3.966 177 HB1 ALA 24 3HB ALA 24 5.024 17.247 6.277 178 HB2 ALA 24 1HB ALA 24 6.780 17.286 6.127 179 HB3 ALA 24 2HB ALA 24 5.982 15.857 6.791 180 H GLY 25 H GLY 25 8.225 16.648 5.086 181 HA2 GLY 25 2HA GLY 25 9.431 14.693 3.390 182 HA3 GLY 25 3HA GLY 25 10.262 15.732 4.537 183 H ASP 26 H ASP 26 8.671 14.861 6.788 184 HA ASP 26 HA ASP 26 9.714 12.143 7.131 185 HB2 ASP 26 2HB ASP 26 9.215 14.368 9.125 186 HB3 ASP 26 3HB ASP 26 9.536 12.710 9.613 187 H GLU 27 H GLU 27 8.148 11.802 9.535 188 HA GLU 27 HA GLU 27 6.152 11.097 10.301 189 HB2 GLU 27 2HB GLU 27 5.093 13.134 9.628 190 HB3 GLU 27 3HB GLU 27 5.055 12.627 7.945 191 HG2 GLU 27 2HG GLU 27 3.436 10.926 8.434 192 HG3 GLU 27 3HG GLU 27 3.559 11.244 10.161 193 H THR 28 H THR 28 5.189 9.190 10.233 194 HA THR 28 HA THR 28 5.248 7.702 7.700 195 HB THR 28 HB THR 28 5.288 6.625 10.527 196 HG1 THR 28 HG1 THR 28 7.244 7.697 9.520 197 HG21 THR 28 3HG2 THR 28 4.166 5.109 8.966 198 HG22 THR 28 1HG2 THR 28 5.725 4.457 9.473 199 HG23 THR 28 2HG2 THR 28 5.555 5.192 7.880 200 H VAL 29 H VAL 29 3.335 7.271 6.834 201 HA VAL 29 HA VAL 29 0.908 7.641 8.454 202 HB VAL 29 HB VAL 29 1.143 7.370 5.448 203 HG11 VAL 29 1HG1 VAL 29 -1.107 8.379 5.436 204 HG12 VAL 29 2HG1 VAL 29 -1.120 8.317 7.198 205 HG13 VAL 29 3HG1 VAL 29 -1.062 6.822 6.264 206 HG21 VAL 29 3HG2 VAL 29 2.354 9.348 6.189 207 HG22 VAL 29 1HG2 VAL 29 0.934 9.893 7.084 208 HG23 VAL 29 2HG2 VAL 29 0.883 9.789 5.322 209 H GLU 30 H GLU 30 -0.185 5.854 9.118 210 HA GLU 30 HA GLU 30 0.535 3.307 7.928 211 HB2 GLU 30 2HB GLU 30 -0.629 2.235 9.724 212 HB3 GLU 30 3HB GLU 30 0.374 3.505 10.404 213 HG2 GLU 30 2HG GLU 30 -1.478 4.860 10.879 214 HG3 GLU 30 3HG GLU 30 -2.542 3.913 9.833 215 H ILE 31 H ILE 31 -0.754 2.074 6.718 216 HA ILE 31 HA ILE 31 -3.349 3.236 5.923 217 HB ILE 31 HB ILE 31 -1.448 1.632 4.197 218 HG12 ILE 31 2HG1 ILE 31 -2.149 4.578 4.084 219 HG13 ILE 31 3HG1 ILE 31 -0.651 3.931 4.743 220 HG21 ILE 31 1HG2 ILE 31 -4.043 3.019 3.521 221 HG22 ILE 31 2HG2 ILE 31 -3.784 1.277 3.606 222 HG23 ILE 31 3HG2 ILE 31 -2.971 2.229 2.365 223 HD11 ILE 31 3HD1 ILE 31 -1.580 3.732 1.891 224 HD12 ILE 31 1HD1 ILE 31 -0.101 3.021 2.534 225 HD13 ILE 31 2HD1 ILE 31 -0.299 4.772 2.515 226 H ARG 32 H ARG 32 -4.851 2.038 6.901 227 HA ARG 32 HA ARG 32 -4.518 -0.807 7.317 228 HB2 ARG 32 2HB ARG 32 -5.580 0.452 9.077 229 HB3 ARG 32 3HB ARG 32 -6.757 1.115 7.957 230 HG2 ARG 32 2HG ARG 32 -7.710 -1.117 7.641 231 HG3 ARG 32 3HG ARG 32 -6.538 -1.769 8.790 232 HD2 ARG 32 2HD ARG 32 -8.472 0.439 9.474 233 HD3 ARG 32 3HD ARG 32 -8.833 -1.269 9.724 234 HE ARG 32 HE ARG 32 -6.826 -1.302 11.207 235 HH11 ARG 32 1HH1 ARG 32 -8.497 1.711 10.589 236 HH12 ARG 32 2HH1 ARG 32 -8.066 2.421 12.112 237 HH21 ARG 32 1HH2 ARG 32 -6.257 -0.390 13.218 238 HH22 ARG 32 2HH2 ARG 32 -6.782 1.218 13.621 239 H LEU 33 H LEU 33 -5.247 -2.358 5.986 240 HA LEU 33 HA LEU 33 -7.193 -1.605 3.918 241 HB2 LEU 33 2HB LEU 33 -4.925 -1.457 2.992 242 HB3 LEU 33 3HB LEU 33 -4.627 -3.121 3.459 243 HG LEU 33 HG LEU 33 -6.477 -3.815 1.924 244 HD11 LEU 33 1HD1 LEU 33 -6.316 -0.944 1.026 245 HD12 LEU 33 2HD1 LEU 33 -7.682 -1.697 1.849 246 HD13 LEU 33 3HD1 LEU 33 -7.226 -2.228 0.229 247 HD21 LEU 33 3HD2 LEU 33 -5.158 -3.510 -0.120 248 HD22 LEU 33 1HD2 LEU 33 -4.152 -3.982 1.249 249 HD23 LEU 33 2HD2 LEU 33 -4.171 -2.303 0.706 250 H GLU 34 H GLU 34 -8.768 -3.039 3.625 251 HA GLU 34 HA GLU 34 -8.318 -5.828 4.470 252 HB2 GLU 34 2HB GLU 34 -10.797 -4.144 4.821 253 HB3 GLU 34 3HB GLU 34 -10.787 -5.890 4.994 254 HG2 GLU 34 2HG GLU 34 -9.179 -5.690 6.831 255 HG3 GLU 34 3HG GLU 34 -9.235 -3.934 6.668 256 H ILE 35 H ILE 35 -8.438 -7.169 2.785 257 HA ILE 35 HA ILE 35 -10.346 -6.523 0.627 258 HB ILE 35 HB ILE 35 -7.777 -8.107 0.372 259 HG12 ILE 35 2HG1 ILE 35 -8.463 -5.342 -0.652 260 HG13 ILE 35 3HG1 ILE 35 -7.372 -5.691 0.683 261 HG21 ILE 35 1HG2 ILE 35 -9.762 -7.233 -1.725 262 HG22 ILE 35 2HG2 ILE 35 -9.523 -8.880 -1.141 263 HG23 ILE 35 3HG2 ILE 35 -8.236 -8.065 -2.029 264 HD11 ILE 35 3HD1 ILE 35 -5.870 -6.852 -0.848 265 HD12 ILE 35 1HD1 ILE 35 -6.149 -5.184 -1.347 266 HD13 ILE 35 2HD1 ILE 35 -6.966 -6.502 -2.186 267 H LYS 36 H LYS 36 -12.092 -7.722 1.278 268 HA LYS 36 HA LYS 36 -11.638 -10.456 2.166 269 HB2 LYS 36 2HB LYS 36 -13.978 -10.503 2.795 270 HB3 LYS 36 3HB LYS 36 -13.212 -9.066 3.447 271 HG2 LYS 36 2HG LYS 36 -14.311 -7.655 1.919 272 HG3 LYS 36 3HG LYS 36 -14.792 -9.011 0.894 273 HD2 LYS 36 2HD LYS 36 -16.743 -8.456 2.048 274 HD3 LYS 36 3HD LYS 36 -16.105 -9.841 2.930 275 HE2 LYS 36 2HE LYS 36 -16.772 -8.295 4.576 276 HE3 LYS 36 3HE LYS 36 -15.016 -8.157 4.492 277 HZ1 LYS 36 3HZ LYS 36 -16.846 -6.354 3.009 278 HZ2 LYS 36 1HZ LYS 36 -15.186 -6.149 3.276 279 HZ3 LYS 36 2HZ LYS 36 -16.274 -6.002 4.564 280 HA PRO 37 HA PRO 37 -12.804 -11.865 -1.918 281 HB2 PRO 37 2HB PRO 37 -11.602 -14.268 -1.722 282 HB3 PRO 37 3HB PRO 37 -10.692 -12.782 -1.999 283 HG2 PRO 37 2HG PRO 37 -10.881 -14.441 0.429 284 HG3 PRO 37 3HG PRO 37 -9.610 -13.314 -0.069 285 HD2 PRO 37 2HD PRO 37 -11.748 -12.866 1.789 286 HD3 PRO 37 3HD PRO 37 -10.485 -11.730 1.287 287 H SER 38 H SER 38 -14.992 -12.194 -1.830 288 HA SER 38 HA SER 38 -16.027 -14.351 -0.144 289 HB2 SER 38 2HB SER 38 -17.530 -12.234 -1.707 290 HB3 SER 38 3HB SER 38 -18.225 -13.361 -0.541 291 HG SER 38 HG SER 38 -16.148 -12.060 0.559 292 H GLY 39 H GLY 39 -14.821 -14.069 -3.145 293 HA2 GLY 39 2HA GLY 39 -16.650 -16.100 -4.251 294 HA3 GLY 39 3HA GLY 39 -15.586 -15.079 -5.213 295 H ASN 40 H ASN 40 -15.982 -18.132 -4.368 296 HA ASN 40 HA ASN 40 -14.673 -19.993 -4.382 297 HB2 ASN 40 2HB ASN 40 -13.331 -18.910 -6.132 298 HB3 ASN 40 3HB ASN 40 -12.385 -18.074 -4.909 299 HD21 ASN 40 1HD2 ASN 40 -10.457 -18.929 -5.493 300 HD22 ASN 40 2HD2 ASN 40 -10.037 -20.597 -5.282 301 H PHE 41 H PHE 41 -13.354 -21.206 -2.941 302 HA PHE 41 HA PHE 41 -13.333 -20.298 -0.263 303 HB2 PHE 41 2HB PHE 41 -13.474 -22.684 -0.931 304 HB3 PHE 41 3HB PHE 41 -11.806 -22.607 -1.489 305 HD1 PHE 41 HD2 PHE 41 -13.850 -21.985 1.563 306 HD2 PHE 41 HD1 PHE 41 -10.127 -23.257 -0.055 307 HE1 PHE 41 HE2 PHE 41 -13.084 -22.598 3.817 308 HE2 PHE 41 HE1 PHE 41 -9.353 -23.871 2.199 309 HZ PHE 41 HZ PHE 41 -10.832 -23.543 4.137 310 H ILE 42 H ILE 42 -11.428 -20.023 1.117 311 HA ILE 42 HA ILE 42 -9.594 -18.185 -0.092 312 HB ILE 42 HB ILE 42 -8.645 -17.989 2.206 313 HG12 ILE 42 2HG1 ILE 42 -10.877 -19.902 2.943 314 HG13 ILE 42 3HG1 ILE 42 -9.167 -20.317 2.930 315 HG21 ILE 42 1HG2 ILE 42 -11.630 -17.719 1.921 316 HG22 ILE 42 2HG2 ILE 42 -10.417 -16.533 1.435 317 HG23 ILE 42 3HG2 ILE 42 -10.646 -16.913 3.143 318 HD11 ILE 42 3HD1 ILE 42 -8.771 -18.624 4.667 319 HD12 ILE 42 1HD1 ILE 42 -9.909 -19.872 5.178 320 HD13 ILE 42 2HD1 ILE 42 -10.500 -18.282 4.699 321 H GLY 43 H GLY 43 -9.194 -20.593 -1.285 322 HA2 GLY 43 2HA GLY 43 -6.757 -21.745 -0.117 323 HA3 GLY 43 3HA GLY 43 -7.661 -22.400 -1.477 324 H THR 44 H THR 44 -7.359 -19.107 -1.757 325 HA THR 44 HA THR 44 -5.470 -19.347 -3.920 326 HB THR 44 HB THR 44 -5.960 -16.817 -4.061 327 HG1 THR 44 HG1 THR 44 -7.595 -16.062 -2.825 328 HG21 THR 44 3HG2 THR 44 -6.957 -18.461 -5.572 329 HG22 THR 44 1HG2 THR 44 -8.130 -17.216 -5.141 330 HG23 THR 44 2HG2 THR 44 -8.212 -18.808 -4.382 331 H VAL 45 H VAL 45 -3.434 -18.445 -3.999 332 HA VAL 45 HA VAL 45 -2.206 -17.880 -1.430 333 HB VAL 45 HB VAL 45 -0.930 -18.083 -4.166 334 HG11 VAL 45 1HG1 VAL 45 0.400 -16.762 -2.606 335 HG12 VAL 45 2HG1 VAL 45 1.173 -18.312 -2.938 336 HG13 VAL 45 3HG1 VAL 45 0.313 -18.062 -1.419 337 HG21 VAL 45 3HG2 VAL 45 -0.191 -20.305 -3.438 338 HG22 VAL 45 1HG2 VAL 45 -1.949 -20.192 -3.493 339 HG23 VAL 45 2HG2 VAL 45 -1.111 -20.118 -1.944 340 H TYR 46 H TYR 46 -2.236 -15.877 -0.687 341 HA TYR 46 HA TYR 46 -2.705 -13.651 -2.452 342 HB2 TYR 46 2HB TYR 46 -3.783 -13.885 -0.208 343 HB3 TYR 46 3HB TYR 46 -2.205 -13.631 0.531 344 HD1 TYR 46 HD2 TYR 46 -4.094 -11.951 -2.232 345 HD2 TYR 46 HD1 TYR 46 -2.048 -11.548 1.476 346 HE1 TYR 46 HE2 TYR 46 -4.471 -9.520 -2.293 347 HE2 TYR 46 HE1 TYR 46 -2.420 -9.118 1.425 348 HH TYR 46 HH TYR 46 -4.597 -7.639 -0.698 349 H THR 47 H THR 47 -1.111 -12.723 -3.522 350 HA THR 47 HA THR 47 1.583 -12.695 -2.335 351 HB THR 47 HB THR 47 0.861 -12.392 -5.255 352 HG1 THR 47 HG1 THR 47 0.284 -14.479 -4.395 353 HG21 THR 47 3HG2 THR 47 3.225 -12.955 -5.611 354 HG22 THR 47 1HG2 THR 47 3.469 -13.018 -3.868 355 HG23 THR 47 2HG2 THR 47 3.047 -11.490 -4.644 356 H LEU 48 H LEU 48 2.639 -10.785 -2.083 357 HA LEU 48 HA LEU 48 1.213 -8.342 -2.917 358 HB2 LEU 48 2HB LEU 48 1.243 -8.603 -0.499 359 HB3 LEU 48 3HB LEU 48 2.981 -8.829 -0.520 360 HG LEU 48 HG LEU 48 3.254 -6.497 -1.310 361 HD11 LEU 48 1HD1 LEU 48 1.084 -6.236 -2.400 362 HD12 LEU 48 2HD1 LEU 48 1.366 -4.964 -1.213 363 HD13 LEU 48 3HD1 LEU 48 0.284 -6.304 -0.831 364 HD21 LEU 48 3HD2 LEU 48 3.407 -7.036 1.069 365 HD22 LEU 48 1HD2 LEU 48 1.670 -6.795 1.240 366 HD23 LEU 48 2HD2 LEU 48 2.710 -5.436 0.818 367 H ARG 49 H ARG 49 2.249 -6.988 -4.230 368 HA ARG 49 HA ARG 49 5.184 -7.137 -4.384 369 HB2 ARG 49 2HB ARG 49 3.267 -6.859 -6.706 370 HB3 ARG 49 3HB ARG 49 5.015 -6.705 -6.820 371 HG2 ARG 49 2HG ARG 49 5.274 -9.014 -6.104 372 HG3 ARG 49 3HG ARG 49 3.522 -9.179 -5.973 373 HD2 ARG 49 2HD ARG 49 4.252 -10.126 -8.060 374 HD3 ARG 49 3HD ARG 49 3.343 -8.651 -8.386 375 HE ARG 49 HE ARG 49 5.841 -7.717 -8.347 376 HH11 ARG 49 1HH1 ARG 49 4.435 -10.503 -9.950 377 HH12 ARG 49 2HH1 ARG 49 5.583 -10.488 -11.251 378 HH21 ARG 49 1HH2 ARG 49 7.357 -7.701 -10.053 379 HH22 ARG 49 2HH2 ARG 49 7.264 -8.907 -11.302 380 H TYR 50 H TYR 50 6.189 -5.231 -4.246 381 HA TYR 50 HA TYR 50 4.482 -2.839 -4.109 382 HB2 TYR 50 2HB TYR 50 5.698 -3.359 -2.074 383 HB3 TYR 50 3HB TYR 50 7.217 -3.405 -2.956 384 HD1 TYR 50 HD2 TYR 50 4.377 -1.041 -2.368 385 HD2 TYR 50 HD1 TYR 50 8.577 -1.557 -2.803 386 HE1 TYR 50 HE2 TYR 50 4.716 1.348 -1.903 387 HE2 TYR 50 HE1 TYR 50 8.923 0.831 -2.335 388 HH TYR 50 HH TYR 50 6.415 2.841 -1.138 389 H PHE 51 H PHE 51 4.905 -1.011 -5.238 390 HA PHE 51 HA PHE 51 7.309 -0.858 -6.901 391 HB2 PHE 51 2HB PHE 51 4.693 -1.378 -7.908 392 HB3 PHE 51 3HB PHE 51 5.129 0.264 -8.368 393 HD1 PHE 51 HD1 PHE 51 7.346 0.610 -9.573 394 HD2 PHE 51 HD2 PHE 51 5.517 -3.203 -9.092 395 HE1 PHE 51 HE1 PHE 51 8.684 -0.264 -11.448 396 HE2 PHE 51 HE2 PHE 51 6.854 -4.082 -10.957 397 HZ PHE 51 HZ PHE 51 8.435 -2.615 -12.140 398 H GLN 52 H GLN 52 8.074 1.224 -7.168 399 HA GLN 52 HA GLN 52 6.355 3.450 -6.384 400 HB2 GLN 52 2HB GLN 52 7.688 2.946 -4.377 401 HB3 GLN 52 3HB GLN 52 9.168 3.070 -5.321 402 HG2 GLN 52 2HG GLN 52 8.694 5.434 -5.750 403 HG3 GLN 52 3HG GLN 52 7.213 5.307 -4.804 404 HE21 GLN 52 1HE2 GLN 52 8.384 3.585 -2.785 405 HE22 GLN 52 2HE2 GLN 52 9.444 4.581 -1.847 406 HA PRO 53 HA PRO 53 8.395 4.407 -10.306 407 HB2 PRO 53 2HB PRO 53 6.057 5.991 -10.920 408 HB3 PRO 53 3HB PRO 53 6.582 4.472 -11.649 409 HG2 PRO 53 2HG PRO 53 4.339 4.712 -10.102 410 HG3 PRO 53 3HG PRO 53 5.266 3.209 -10.273 411 HD2 PRO 53 2HD PRO 53 5.327 5.232 -8.064 412 HD3 PRO 53 3HD PRO 53 5.345 3.456 -7.964 413 H ASP 54 H ASP 54 6.490 6.830 -8.489 414 HA ASP 54 HA ASP 54 8.584 8.809 -9.069 415 HB2 ASP 54 2HB ASP 54 6.797 9.110 -10.729 416 HB3 ASP 54 3HB ASP 54 5.610 9.247 -9.438 417 H GLY 55 H GLY 55 9.357 9.231 -7.103 418 HA2 GLY 55 2HA GLY 55 8.407 10.925 -5.303 419 HA3 GLY 55 3HA GLY 55 7.540 9.472 -4.825 420 H LYS 56 H LYS 56 9.074 10.499 -2.934 421 HA LYS 56 HA LYS 56 11.350 8.641 -2.846 422 HB2 LYS 56 2HB LYS 56 11.275 11.442 -1.688 423 HB3 LYS 56 3HB LYS 56 12.599 10.299 -1.510 424 HG2 LYS 56 2HG LYS 56 13.051 10.380 -3.875 425 HG3 LYS 56 3HG LYS 56 11.639 11.399 -4.145 426 HD2 LYS 56 2HD LYS 56 13.989 12.180 -2.424 427 HD3 LYS 56 3HD LYS 56 13.819 12.623 -4.123 428 HE2 LYS 56 2HE LYS 56 11.704 13.780 -3.576 429 HE3 LYS 56 3HE LYS 56 11.953 13.387 -1.875 430 HZ1 LYS 56 3HZ LYS 56 12.691 15.634 -2.352 431 HZ2 LYS 56 1HZ LYS 56 13.744 15.068 -3.554 432 HZ3 LYS 56 2HZ LYS 56 14.016 14.667 -1.930 433 H GLY 57 H GLY 57 11.455 7.384 -1.067 434 HA2 GLY 57 2HA GLY 57 10.828 7.578 1.472 435 HA3 GLY 57 3HA GLY 57 9.205 7.606 0.794 436 H SER 58 H SER 58 9.420 5.638 2.414 437 HA SER 58 HA SER 58 9.671 3.296 0.687 438 HB2 SER 58 2HB SER 58 10.983 3.502 3.408 439 HB3 SER 58 3HB SER 58 10.903 2.047 2.414 440 HG SER 58 HG SER 58 11.856 4.016 0.911 441 H LEU 59 H LEU 59 8.284 1.639 1.196 442 HA LEU 59 HA LEU 59 6.319 2.227 3.304 443 HB2 LEU 59 2HB LEU 59 5.349 2.292 1.080 444 HB3 LEU 59 3HB LEU 59 6.022 0.719 0.708 445 HG LEU 59 HG LEU 59 4.559 -0.274 2.468 446 HD11 LEU 59 1HD1 LEU 59 3.347 2.484 2.517 447 HD12 LEU 59 2HD1 LEU 59 4.208 1.699 3.841 448 HD13 LEU 59 3HD1 LEU 59 2.668 1.046 3.280 449 HD21 LEU 59 3HD2 LEU 59 3.900 -0.361 0.148 450 HD22 LEU 59 1HD2 LEU 59 3.203 1.255 0.257 451 HD23 LEU 59 2HD2 LEU 59 2.485 -0.074 1.160 452 H LYS 60 H LYS 60 6.063 0.785 4.886 453 HA LYS 60 HA LYS 60 7.124 -1.926 4.493 454 HB2 LYS 60 2HB LYS 60 7.804 -1.948 6.874 455 HB3 LYS 60 3HB LYS 60 8.691 -0.762 5.931 456 HG2 LYS 60 2HG LYS 60 7.447 1.030 6.868 457 HG3 LYS 60 3HG LYS 60 6.308 -0.083 7.628 458 HD2 LYS 60 2HD LYS 60 8.064 -0.940 9.066 459 HD3 LYS 60 3HD LYS 60 9.249 0.093 8.266 460 HE2 LYS 60 2HE LYS 60 6.827 1.160 9.697 461 HE3 LYS 60 3HE LYS 60 8.388 0.923 10.483 462 HZ1 LYS 60 3HZ LYS 60 9.382 2.455 8.914 463 HZ2 LYS 60 1HZ LYS 60 8.098 3.201 9.729 464 HZ3 LYS 60 2HZ LYS 60 7.900 2.676 8.129 465 H MET 61 H MET 61 6.224 -3.354 6.392 466 HA MET 61 HA MET 61 3.333 -2.989 6.401 467 HB2 MET 61 2HB MET 61 4.981 -5.266 7.525 468 HB3 MET 61 3HB MET 61 3.235 -5.253 7.305 469 HG2 MET 61 2HG MET 61 3.656 -4.958 4.845 470 HG3 MET 61 3HG MET 61 5.358 -5.271 5.179 471 HE1 MET 61 3HE MET 61 2.065 -6.848 6.708 472 HE2 MET 61 1HE MET 61 1.913 -8.282 5.689 473 HE3 MET 61 2HE MET 61 1.769 -6.673 4.978 474 H GLU 62 H GLU 62 2.711 -4.243 8.831 475 HA GLU 62 HA GLU 62 2.629 -2.066 10.538 476 HB2 GLU 62 2HB GLU 62 2.201 -5.001 11.077 477 HB3 GLU 62 3HB GLU 62 1.927 -3.756 12.294 478 HG2 GLU 62 2HG GLU 62 0.290 -2.690 10.872 479 HG3 GLU 62 3HG GLU 62 0.585 -3.876 9.605 480 H ASP 63 H ASP 63 4.493 -1.133 10.989 481 HA ASP 63 HA ASP 63 6.409 -0.616 12.058 482 HB2 ASP 63 2HB ASP 63 4.821 -1.282 13.966 483 HB3 ASP 63 3HB ASP 63 5.754 -2.773 14.054 484 H GLY 64 H GLY 64 6.701 -2.483 9.956 485 HA2 GLY 64 2HA GLY 64 9.355 -3.120 10.124 486 HA3 GLY 64 3HA GLY 64 8.545 -4.529 10.796 487 H THR 65 H THR 65 9.887 -5.259 8.791 488 HA THR 65 HA THR 65 9.904 -6.198 6.728 489 HB THR 65 HB THR 65 6.898 -5.927 6.730 490 HG1 THR 65 HG1 THR 65 7.322 -6.943 8.641 491 HG21 THR 65 3HG2 THR 65 7.916 -6.686 4.630 492 HG22 THR 65 1HG2 THR 65 6.986 -7.975 5.393 493 HG23 THR 65 2HG2 THR 65 8.745 -7.977 5.498 494 H VAL 66 H VAL 66 10.934 -4.403 5.740 495 HA VAL 66 HA VAL 66 9.355 -2.300 4.566 496 HB VAL 66 HB VAL 66 12.267 -2.965 4.075 497 HG11 VAL 66 1HG1 VAL 66 12.444 -0.652 3.326 498 HG12 VAL 66 2HG1 VAL 66 10.718 -0.417 3.605 499 HG13 VAL 66 3HG1 VAL 66 11.266 -1.534 2.355 500 HG21 VAL 66 3HG2 VAL 66 12.750 -1.220 5.727 501 HG22 VAL 66 1HG2 VAL 66 11.844 -2.549 6.442 502 HG23 VAL 66 2HG2 VAL 66 11.024 -1.040 6.042 503 H LEU 67 H LEU 67 8.512 -2.224 2.588 504 HA LEU 67 HA LEU 67 8.755 -4.553 0.878 505 HB2 LEU 67 2HB LEU 67 7.127 -2.037 0.490 506 HB3 LEU 67 3HB LEU 67 6.968 -3.529 -0.418 507 HG LEU 67 HG LEU 67 6.344 -3.173 2.517 508 HD11 LEU 67 1HD1 LEU 67 4.697 -2.116 1.079 509 HD12 LEU 67 2HD1 LEU 67 4.029 -3.569 1.830 510 HD13 LEU 67 3HD1 LEU 67 4.541 -3.601 0.141 511 HD21 LEU 67 3HD2 LEU 67 7.196 -5.404 2.067 512 HD22 LEU 67 1HD2 LEU 67 6.052 -5.589 0.737 513 HD23 LEU 67 2HD2 LEU 67 5.462 -5.455 2.394 514 H LYS 68 H LYS 68 9.344 -4.402 -1.366 515 HA LYS 68 HA LYS 68 11.219 -2.182 -1.892 516 HB2 LYS 68 2HB LYS 68 11.798 -5.117 -2.355 517 HB3 LYS 68 3HB LYS 68 12.875 -3.779 -2.725 518 HG2 LYS 68 2HG LYS 68 13.102 -3.264 -0.377 519 HG3 LYS 68 3HG LYS 68 11.939 -4.527 0.038 520 HD2 LYS 68 2HD LYS 68 13.469 -6.190 -1.001 521 HD3 LYS 68 3HD LYS 68 14.645 -4.896 -1.245 522 HE2 LYS 68 2HE LYS 68 13.534 -5.740 1.430 523 HE3 LYS 68 3HE LYS 68 15.081 -6.270 0.773 524 HZ1 LYS 68 3HZ LYS 68 15.444 -4.458 2.267 525 HZ2 LYS 68 1HZ LYS 68 14.312 -3.487 1.467 526 HZ3 LYS 68 2HZ LYS 68 15.755 -3.913 0.693 527 HA PRO 69 HA PRO 69 9.404 -1.957 -5.933 528 HB2 PRO 69 2HB PRO 69 12.190 -1.720 -6.943 529 HB3 PRO 69 3HB PRO 69 10.808 -0.647 -7.193 530 HG2 PRO 69 2HG PRO 69 12.775 0.035 -5.539 531 HG3 PRO 69 3HG PRO 69 11.083 0.399 -5.140 532 HD2 PRO 69 2HD PRO 69 12.863 -1.763 -4.086 533 HD3 PRO 69 3HD PRO 69 11.654 -0.782 -3.232 534 H ASN 70 H ASN 70 8.618 -3.801 -6.722 535 HA ASN 70 HA ASN 70 8.460 -5.656 -8.006 536 HB2 ASN 70 2HB ASN 70 11.086 -4.657 -8.779 537 HB3 ASN 70 3HB ASN 70 10.973 -6.412 -8.884 538 HD21 ASN 70 1HD2 ASN 70 11.173 -4.371 -10.976 539 HD22 ASN 70 2HD2 ASN 70 9.801 -4.619 -12.007 540 H ASP 71 H ASP 71 8.843 -5.756 -5.222 541 HA ASP 71 HA ASP 71 10.354 -8.190 -4.752 542 HB2 ASP 71 2HB ASP 71 9.512 -7.988 -2.427 543 HB3 ASP 71 3HB ASP 71 10.342 -6.539 -2.971 544 H ARG 72 H ARG 72 9.002 -9.860 -3.315 545 HA ARG 72 HA ARG 72 6.257 -10.099 -4.195 546 HB2 ARG 72 2HB ARG 72 7.866 -11.227 -5.889 547 HB3 ARG 72 3HB ARG 72 8.070 -12.452 -4.642 548 HG2 ARG 72 2HG ARG 72 5.687 -12.896 -4.661 549 HG3 ARG 72 3HG ARG 72 5.449 -11.634 -5.868 550 HD2 ARG 72 2HD ARG 72 7.069 -12.939 -7.323 551 HD3 ARG 72 3HD ARG 72 6.882 -14.256 -6.166 552 HE ARG 72 HE ARG 72 4.501 -13.109 -7.450 553 HH11 ARG 72 1HH1 ARG 72 6.606 -15.859 -6.891 554 HH12 ARG 72 2HH1 ARG 72 5.570 -16.971 -7.748 555 HH21 ARG 72 1HH2 ARG 72 3.138 -14.553 -8.528 556 HH22 ARG 72 2HH2 ARG 72 3.581 -16.238 -8.640 557 H TYR 73 H TYR 73 5.591 -9.971 -2.088 558 HA TYR 73 HA TYR 73 6.693 -11.891 -0.165 559 HB2 TYR 73 2HB TYR 73 4.935 -9.461 0.155 560 HB3 TYR 73 3HB TYR 73 5.234 -10.587 1.472 561 HD1 TYR 73 HD2 TYR 73 6.699 -7.982 -0.651 562 HD2 TYR 73 HD1 TYR 73 7.400 -10.690 2.551 563 HE1 TYR 73 HE2 TYR 73 8.749 -6.755 -0.066 564 HE2 TYR 73 HE1 TYR 73 9.445 -9.469 3.145 565 HH TYR 73 HH TYR 73 10.176 -6.397 1.912 566 H LEU 74 H LEU 74 5.467 -13.449 0.824 567 HA LEU 74 HA LEU 74 2.838 -13.971 -0.383 568 HB2 LEU 74 2HB LEU 74 4.700 -15.703 -0.487 569 HB3 LEU 74 3HB LEU 74 4.534 -15.868 1.247 570 HG LEU 74 HG LEU 74 2.206 -16.354 -0.609 571 HD11 LEU 74 1HD1 LEU 74 4.039 -17.803 -1.316 572 HD12 LEU 74 2HD1 LEU 74 2.759 -18.730 -0.528 573 HD13 LEU 74 3HD1 LEU 74 4.248 -18.361 0.344 574 HD21 LEU 74 3HD2 LEU 74 1.440 -17.772 1.261 575 HD22 LEU 74 1HD2 LEU 74 1.628 -16.081 1.731 576 HD23 LEU 74 2HD2 LEU 74 2.848 -17.269 2.197 577 H LEU 75 H LEU 75 1.144 -13.378 0.794 578 HA LEU 75 HA LEU 75 1.458 -13.230 3.719 579 HB2 LEU 75 2HB LEU 75 -0.329 -11.686 1.844 580 HB3 LEU 75 3HB LEU 75 -0.588 -11.714 3.576 581 HG LEU 75 HG LEU 75 0.545 -9.699 3.089 582 HD11 LEU 75 1HD1 LEU 75 2.564 -11.674 4.123 583 HD12 LEU 75 2HD1 LEU 75 1.336 -10.839 5.076 584 HD13 LEU 75 3HD1 LEU 75 2.637 -9.921 4.312 585 HD21 LEU 75 3HD2 LEU 75 2.618 -9.552 1.850 586 HD22 LEU 75 1HD2 LEU 75 1.364 -10.299 0.860 587 HD23 LEU 75 2HD2 LEU 75 2.617 -11.298 1.598 588 H ASN 76 H ASN 76 0.116 -14.315 5.018 589 HA ASN 76 HA ASN 76 -1.599 -16.322 3.840 590 HB2 ASN 76 2HB ASN 76 -0.160 -16.753 5.847 591 HB3 ASN 76 3HB ASN 76 -1.187 -15.657 6.764 592 HD21 ASN 76 1HD2 ASN 76 -2.011 -17.089 8.190 593 HD22 ASN 76 2HD2 ASN 76 -3.020 -18.428 7.748 594 H GLU 77 H GLU 77 -1.951 -13.347 5.666 595 HA GLU 77 HA GLU 77 -4.842 -13.696 5.816 596 HB2 GLU 77 2HB GLU 77 -2.957 -11.736 7.115 597 HB3 GLU 77 3HB GLU 77 -4.706 -11.656 7.286 598 HG2 GLU 77 2HG GLU 77 -4.756 -13.796 8.364 599 HG3 GLU 77 3HG GLU 77 -3.039 -14.037 8.048 600 H TRP 78 H TRP 78 -6.284 -12.023 5.189 601 HA TRP 78 HA TRP 78 -5.325 -10.644 2.780 602 HB2 TRP 78 2HB TRP 78 -8.055 -11.590 3.634 603 HB3 TRP 78 3HB TRP 78 -7.817 -10.517 2.259 604 HD1 TRP 78 HD1 TRP 78 -6.722 -14.062 3.419 605 HE1 TRP 78 HE1 TRP 78 -6.412 -15.515 1.317 606 HE3 TRP 78 HE3 TRP 78 -7.581 -10.507 -0.166 607 HZ2 TRP 78 HZ2 TRP 78 -6.513 -15.197 -1.481 608 HZ3 TRP 78 HZ3 TRP 78 -7.452 -11.172 -2.533 609 HH2 TRP 78 HH2 TRP 78 -6.929 -13.467 -3.170 610 H LYS 79 H LYS 79 -5.826 -9.899 5.920 611 HA LYS 79 HA LYS 79 -6.329 -7.109 5.185 612 HB2 LYS 79 2HB LYS 79 -7.934 -6.728 6.772 613 HB3 LYS 79 3HB LYS 79 -8.303 -8.395 6.378 614 HG2 LYS 79 2HG LYS 79 -6.601 -7.569 8.719 615 HG3 LYS 79 3HG LYS 79 -8.340 -7.833 8.809 616 HD2 LYS 79 2HD LYS 79 -8.009 -10.159 8.076 617 HD3 LYS 79 3HD LYS 79 -6.263 -9.884 8.037 618 HE2 LYS 79 2HE LYS 79 -6.302 -9.362 10.433 619 HE3 LYS 79 3HE LYS 79 -8.042 -9.650 10.466 620 HZ1 LYS 79 3HZ LYS 79 -7.560 -11.952 9.716 621 HZ2 LYS 79 1HZ LYS 79 -6.943 -11.584 11.253 622 HZ3 LYS 79 2HZ LYS 79 -5.902 -11.635 9.918 623 H PHE 80 H PHE 80 -5.078 -5.618 6.211 624 HA PHE 80 HA PHE 80 -3.488 -6.156 8.490 625 HB2 PHE 80 2HB PHE 80 -1.257 -6.127 7.327 626 HB3 PHE 80 3HB PHE 80 -2.185 -7.600 7.079 627 HD1 PHE 80 HD1 PHE 80 -0.987 -4.503 5.489 628 HD2 PHE 80 HD2 PHE 80 -2.969 -8.228 4.918 629 HE1 PHE 80 HE1 PHE 80 -0.750 -4.254 3.052 630 HE2 PHE 80 HE2 PHE 80 -2.742 -7.981 2.481 631 HZ PHE 80 HZ PHE 80 -1.628 -5.991 1.545 632 H ARG 81 H ARG 81 -1.567 -4.456 8.500 633 HA ARG 81 HA ARG 81 -2.583 -1.936 7.358 634 HB2 ARG 81 2HB ARG 81 -1.214 -2.332 10.023 635 HB3 ARG 81 3HB ARG 81 -1.723 -0.789 9.358 636 HG2 ARG 81 2HG ARG 81 -3.952 -1.210 9.729 637 HG3 ARG 81 3HG ARG 81 -3.725 -2.960 9.764 638 HD2 ARG 81 2HD ARG 81 -4.187 -2.040 11.993 639 HD3 ARG 81 3HD ARG 81 -2.602 -2.803 11.900 640 HE ARG 81 HE ARG 81 -2.942 0.128 11.714 641 HH11 ARG 81 1HH1 ARG 81 -1.309 -2.707 12.993 642 HH12 ARG 81 2HH1 ARG 81 -0.262 -1.781 14.033 643 HH21 ARG 81 1HH2 ARG 81 -1.562 1.335 13.051 644 HH22 ARG 81 2HH2 ARG 81 -0.387 0.521 14.041 645 H LEU 82 H LEU 82 -1.065 -0.537 6.525 646 HA LEU 82 HA LEU 82 1.701 -1.547 6.409 647 HB2 LEU 82 2HB LEU 82 0.185 0.151 4.423 648 HB3 LEU 82 3HB LEU 82 1.887 -0.243 4.295 649 HG LEU 82 HG LEU 82 -0.346 -2.273 4.258 650 HD11 LEU 82 1HD1 LEU 82 0.151 -2.482 1.879 651 HD12 LEU 82 2HD1 LEU 82 1.321 -1.170 2.004 652 HD13 LEU 82 3HD1 LEU 82 -0.392 -0.850 2.277 653 HD21 LEU 82 3HD2 LEU 82 2.618 -2.515 3.771 654 HD22 LEU 82 1HD2 LEU 82 1.438 -3.794 3.483 655 HD23 LEU 82 2HD2 LEU 82 1.712 -3.198 5.121 656 H TYR 83 H TYR 83 3.392 0.074 6.364 657 HA TYR 83 HA TYR 83 2.598 2.646 7.568 658 HB2 TYR 83 2HB TYR 83 4.723 0.717 8.408 659 HB3 TYR 83 3HB TYR 83 5.011 2.440 8.619 660 HD1 TYR 83 HD1 TYR 83 3.016 -0.432 9.730 661 HD2 TYR 83 HD2 TYR 83 3.742 3.730 10.220 662 HE1 TYR 83 HE1 TYR 83 1.758 -0.462 11.846 663 HE2 TYR 83 HE2 TYR 83 2.492 3.711 12.334 664 HH TYR 83 HH TYR 83 0.732 2.355 13.423 665 H TYR 84 H TYR 84 2.949 4.148 6.080 666 HA TYR 84 HA TYR 84 5.193 3.817 4.228 667 HB2 TYR 84 2HB TYR 84 2.982 4.275 3.251 668 HB3 TYR 84 3HB TYR 84 2.891 5.780 4.161 669 HD1 TYR 84 HD1 TYR 84 5.128 4.041 1.717 670 HD2 TYR 84 HD2 TYR 84 3.535 7.737 3.108 671 HE1 TYR 84 HE1 TYR 84 6.261 5.217 -0.120 672 HE2 TYR 84 HE2 TYR 84 4.666 8.918 1.272 673 HH TYR 84 HH TYR 84 6.072 7.293 -1.373 674 H THR 85 H THR 85 7.028 4.598 5.000 675 HA THR 85 HA THR 85 7.028 7.024 6.620 676 HB THR 85 HB THR 85 9.273 5.105 5.947 677 HG1 THR 85 HG1 THR 85 7.850 5.476 8.397 678 HG21 THR 85 3HG2 THR 85 10.112 7.358 6.431 679 HG22 THR 85 1HG2 THR 85 10.513 6.241 7.734 680 HG23 THR 85 2HG2 THR 85 9.186 7.386 7.932 681 H SER 86 H SER 86 7.353 8.933 5.701 682 HA SER 86 HA SER 86 8.090 9.118 2.942 683 HB2 SER 86 2HB SER 86 6.424 10.624 3.992 684 HB3 SER 86 3HB SER 86 7.714 11.333 4.966 685 HG SER 86 HG SER 86 7.339 12.581 3.109 686 H GLN 87 H GLN 87 9.907 10.029 2.050 687 HA GLN 87 HA GLN 87 12.128 10.727 3.827 688 HB2 GLN 87 2HB GLN 87 12.352 8.817 1.485 689 HB3 GLN 87 3HB GLN 87 13.693 9.396 2.465 690 HG2 GLN 87 2HG GLN 87 12.668 8.313 4.435 691 HG3 GLN 87 3HG GLN 87 11.404 7.672 3.390 692 HE21 GLN 87 1HE2 GLN 87 13.324 7.212 1.181 693 HE22 GLN 87 2HE2 GLN 87 14.208 5.799 1.643 694 H SER 88 H SER 88 10.230 12.205 2.148 695 HA SER 88 HA SER 88 11.948 13.209 -0.013 696 HB2 SER 88 2HB SER 88 8.985 13.549 0.498 697 HB3 SER 88 3HB SER 88 9.856 14.319 -0.824 698 HG SER 88 HG SER 88 9.280 11.596 -0.407 699 H ASP 89 H ASP 89 11.046 15.667 -0.415 700 HA ASP 89 HA ASP 89 11.088 17.125 2.126 701 HB2 ASP 89 2HB ASP 89 12.428 18.894 1.080 702 HB3 ASP 89 3HB ASP 89 13.291 17.362 1.018 703 H LYS 90 H LYS 90 10.494 17.457 -1.356 704 HA LYS 90 HA LYS 90 7.734 18.255 -0.858 705 HB2 LYS 90 2HB LYS 90 9.657 19.913 -2.514 706 HB3 LYS 90 3HB LYS 90 7.914 20.129 -2.502 707 HG2 LYS 90 2HG LYS 90 7.984 20.759 -0.159 708 HG3 LYS 90 3HG LYS 90 9.726 20.474 -0.120 709 HD2 LYS 90 2HD LYS 90 10.023 22.223 -1.825 710 HD3 LYS 90 3HD LYS 90 8.287 22.528 -1.796 711 HE2 LYS 90 2HE LYS 90 9.488 24.164 -0.443 712 HE3 LYS 90 3HE LYS 90 8.433 23.165 0.557 713 HZ1 LYS 90 3HZ LYS 90 11.320 22.573 0.204 714 HZ2 LYS 90 1HZ LYS 90 10.263 21.965 1.383 715 HZ3 LYS 90 2HZ LYS 90 10.742 23.591 1.436 716 H GLU 91 H GLU 91 6.986 16.392 -1.835 717 HA GLU 91 HA GLU 91 7.491 16.089 -4.681 718 HB2 GLU 91 2HB GLU 91 9.318 14.844 -3.494 719 HB3 GLU 91 3HB GLU 91 8.086 13.827 -2.758 720 HG2 GLU 91 2HG GLU 91 9.136 12.747 -4.675 721 HG3 GLU 91 3HG GLU 91 7.413 13.022 -4.944 722 H ALA 92 H ALA 92 5.932 14.857 -5.753 723 HA ALA 92 HA ALA 92 3.515 14.242 -4.246 724 HB1 ALA 92 3HB ALA 92 3.279 15.405 -6.389 725 HB2 ALA 92 1HB ALA 92 2.494 13.825 -6.430 726 HB3 ALA 92 2HB ALA 92 4.057 14.053 -7.212 727 H GLN 93 H GLN 93 4.260 12.520 -3.033 728 HA GLN 93 HA GLN 93 5.869 10.448 -4.145 729 HB2 GLN 93 2HB GLN 93 4.450 10.567 -1.478 730 HB3 GLN 93 3HB GLN 93 5.781 9.495 -1.903 731 HG2 GLN 93 2HG GLN 93 7.300 11.309 -2.088 732 HG3 GLN 93 3HG GLN 93 5.998 12.488 -1.979 733 HE21 GLN 93 1HE2 GLN 93 6.254 9.634 0.048 734 HE22 GLN 93 2HE2 GLN 93 6.552 10.503 1.518 735 H THR 94 H THR 94 5.002 9.150 -5.600 736 HA THR 94 HA THR 94 2.290 8.099 -5.157 737 HB THR 94 HB THR 94 3.835 8.136 -7.750 738 HG1 THR 94 HG1 THR 94 3.334 10.276 -6.723 739 HG21 THR 94 3HG2 THR 94 1.991 6.549 -7.684 740 HG22 THR 94 1HG2 THR 94 1.592 7.902 -8.744 741 HG23 THR 94 2HG2 THR 94 0.896 7.813 -7.125 742 H ILE 95 H ILE 95 2.162 6.046 -4.532 743 HA ILE 95 HA ILE 95 4.271 4.181 -5.419 744 HB ILE 95 HB ILE 95 3.839 2.843 -3.404 745 HG12 ILE 95 2HG1 ILE 95 2.113 5.172 -2.526 746 HG13 ILE 95 3HG1 ILE 95 1.515 3.585 -2.994 747 HG21 ILE 95 1HG2 ILE 95 4.940 4.348 -1.797 748 HG22 ILE 95 2HG2 ILE 95 4.590 5.712 -2.858 749 HG23 ILE 95 3HG2 ILE 95 5.672 4.428 -3.398 750 HD11 ILE 95 3HD1 ILE 95 1.555 3.810 -0.594 751 HD12 ILE 95 1HD1 ILE 95 3.276 4.196 -0.635 752 HD13 ILE 95 2HD1 ILE 95 2.720 2.590 -1.110 753 H ASP 96 H ASP 96 3.610 2.053 -5.944 754 HA ASP 96 HA ASP 96 0.721 1.765 -6.440 755 HB2 ASP 96 2HB ASP 96 3.051 1.004 -8.187 756 HB3 ASP 96 3HB ASP 96 1.491 0.207 -8.350 757 H LEU 97 H LEU 97 -0.201 0.098 -5.499 758 HA LEU 97 HA LEU 97 1.521 -1.997 -4.366 759 HB2 LEU 97 2HB LEU 97 -1.317 -1.232 -3.676 760 HB3 LEU 97 3HB LEU 97 -0.387 -2.496 -2.893 761 HG LEU 97 HG LEU 97 0.238 0.459 -2.835 762 HD11 LEU 97 1HD1 LEU 97 -0.781 -1.415 -0.703 763 HD12 LEU 97 2HD1 LEU 97 -1.685 -0.106 -1.468 764 HD13 LEU 97 3HD1 LEU 97 -0.296 0.262 -0.444 765 HD21 LEU 97 3HD2 LEU 97 1.621 -1.851 -1.474 766 HD22 LEU 97 1HD2 LEU 97 2.005 -0.139 -1.271 767 HD23 LEU 97 2HD2 LEU 97 2.259 -0.924 -2.832 768 H TYR 98 H TYR 98 1.633 -3.790 -5.522 769 HA TYR 98 HA TYR 98 -0.599 -4.493 -7.288 770 HB2 TYR 98 2HB TYR 98 2.290 -5.369 -7.232 771 HB3 TYR 98 3HB TYR 98 1.081 -6.110 -8.273 772 HD1 TYR 98 HD1 TYR 98 2.898 -2.970 -7.563 773 HD2 TYR 98 HD2 TYR 98 0.385 -5.068 -10.282 774 HE1 TYR 98 HE1 TYR 98 3.305 -1.245 -9.261 775 HE2 TYR 98 HE2 TYR 98 0.783 -3.345 -11.990 776 HH TYR 98 HH TYR 98 1.462 -0.952 -12.074 777 H PHE 99 H PHE 99 -2.045 -5.698 -6.254 778 HA PHE 99 HA PHE 99 -1.150 -7.799 -4.431 779 HB2 PHE 99 2HB PHE 99 -3.987 -7.049 -5.171 780 HB3 PHE 99 3HB PHE 99 -3.461 -8.004 -3.787 781 HD1 PHE 99 HD1 PHE 99 -1.761 -6.750 -2.196 782 HD2 PHE 99 HD2 PHE 99 -4.495 -4.837 -4.832 783 HE1 PHE 99 HE1 PHE 99 -1.632 -4.706 -0.836 784 HE2 PHE 99 HE2 PHE 99 -4.375 -2.786 -3.477 785 HZ PHE 99 HZ PHE 99 -2.940 -2.723 -1.477 786 H GLU 100 H GLU 100 -0.742 -9.737 -5.217 787 HA GLU 100 HA GLU 100 -1.847 -10.413 -7.865 788 HB2 GLU 100 2HB GLU 100 0.657 -9.995 -7.618 789 HB3 GLU 100 3HB GLU 100 0.714 -11.465 -6.656 790 HG2 GLU 100 2HG GLU 100 -0.189 -12.709 -8.596 791 HG3 GLU 100 3HG GLU 100 -0.102 -11.225 -9.543 792 H ASP 101 H ASP 101 -3.126 -12.142 -7.973 793 HA ASP 101 HA ASP 101 -3.343 -13.889 -5.645 794 HB2 ASP 101 2HB ASP 101 -5.441 -13.094 -6.557 795 HB3 ASP 101 3HB ASP 101 -5.007 -13.665 -8.163 796 H ASN 102 H ASN 102 -3.514 -16.238 -5.993 797 HA ASN 102 HA ASN 102 -1.250 -17.301 -7.304 798 HB2 ASN 102 2HB ASN 102 -2.295 -18.419 -5.388 799 HB3 ASN 102 3HB ASN 102 -3.753 -18.706 -6.329 800 HD21 ASN 102 1HD2 ASN 102 -3.802 -20.362 -7.803 801 HD22 ASN 102 2HD2 ASN 102 -2.549 -21.543 -7.940 802 H TRP 103 H TRP 103 -4.586 -16.878 -8.294 803 HA TRP 103 HA TRP 103 -4.086 -18.314 -10.801 804 HB2 TRP 103 2HB TRP 103 -6.649 -17.162 -9.664 805 HB3 TRP 103 3HB TRP 103 -6.525 -18.090 -11.155 806 HD1 TRP 103 HD1 TRP 103 -6.421 -18.506 -7.356 807 HE1 TRP 103 HE1 TRP 103 -6.677 -21.007 -6.789 808 HE3 TRP 103 HE3 TRP 103 -6.135 -20.432 -12.080 809 HZ2 TRP 103 HZ2 TRP 103 -6.753 -23.467 -8.171 810 HZ3 TRP 103 HZ3 TRP 103 -6.306 -22.868 -12.372 811 HH2 TRP 103 HH2 TRP 103 -6.609 -24.353 -10.458 812 H GLY 104 H GLY 104 -5.944 -16.886 -12.380 813 HA2 GLY 104 2HA GLY 104 -4.255 -14.704 -13.202 814 HA3 GLY 104 3HA GLY 104 -5.724 -15.245 -13.999 815 H ASN 105 H ASN 105 -4.599 -13.539 -11.098 816 HA ASN 105 HA ASN 105 -6.662 -11.532 -11.514 817 HB2 ASN 105 2HB ASN 105 -7.782 -13.162 -10.076 818 HB3 ASN 105 3HB ASN 105 -6.436 -13.114 -8.943 819 HD21 ASN 105 1HD2 ASN 105 -9.118 -11.322 -10.285 820 HD22 ASN 105 2HD2 ASN 105 -9.236 -10.175 -8.990 821 H LEU 106 H LEU 106 -5.939 -9.553 -11.037 822 HA LEU 106 HA LEU 106 -3.778 -9.167 -9.127 823 HB2 LEU 106 2HB LEU 106 -2.576 -9.629 -11.188 824 HB3 LEU 106 3HB LEU 106 -3.537 -8.446 -12.052 825 HG LEU 106 HG LEU 106 -2.553 -6.696 -10.503 826 HD11 LEU 106 1HD1 LEU 106 -1.760 -8.154 -8.738 827 HD12 LEU 106 2HD1 LEU 106 -0.414 -7.260 -9.447 828 HD13 LEU 106 3HD1 LEU 106 -0.668 -8.955 -9.866 829 HD21 LEU 106 3HD2 LEU 106 -0.664 -8.197 -12.304 830 HD22 LEU 106 1HD2 LEU 106 -0.498 -6.521 -11.782 831 HD23 LEU 106 2HD2 LEU 106 -1.841 -6.990 -12.824 832 H GLN 107 H GLN 107 -4.213 -7.383 -7.973 833 HA GLN 107 HA GLN 107 -5.730 -5.219 -9.297 834 HB2 GLN 107 2HB GLN 107 -5.740 -5.892 -6.343 835 HB3 GLN 107 3HB GLN 107 -6.631 -4.586 -7.107 836 HG2 GLN 107 2HG GLN 107 -8.322 -6.041 -7.046 837 HG3 GLN 107 3HG GLN 107 -7.571 -6.689 -8.504 838 HE21 GLN 107 1HE2 GLN 107 -9.214 -7.985 -6.462 839 HE22 GLN 107 2HE2 GLN 107 -8.273 -9.314 -5.872 840 H GLN 108 H GLN 108 -4.641 -3.357 -9.494 841 HA GLN 108 HA GLN 108 -2.423 -2.931 -7.621 842 HB2 GLN 108 2HB GLN 108 -1.570 -1.345 -9.520 843 HB3 GLN 108 3HB GLN 108 -1.253 -3.067 -9.576 844 HG2 GLN 108 2HG GLN 108 -1.869 -2.605 -11.739 845 HG3 GLN 108 3HG GLN 108 -3.383 -3.169 -11.040 846 HE21 GLN 108 1HE2 GLN 108 -5.107 -1.812 -10.967 847 HE22 GLN 108 2HE2 GLN 108 -5.084 -0.192 -11.585 848 H LEU 109 H LEU 109 -2.608 -1.346 -6.268 849 HA LEU 109 HA LEU 109 -4.569 0.769 -6.850 850 HB2 LEU 109 2HB LEU 109 -3.533 -0.246 -4.202 851 HB3 LEU 109 3HB LEU 109 -4.605 1.127 -4.386 852 HG LEU 109 HG LEU 109 -5.244 -1.736 -5.094 853 HD11 LEU 109 1HD1 LEU 109 -6.258 0.067 -2.901 854 HD12 LEU 109 2HD1 LEU 109 -5.211 -1.339 -2.700 855 HD13 LEU 109 3HD1 LEU 109 -6.867 -1.546 -3.265 856 HD21 LEU 109 3HD2 LEU 109 -6.977 0.728 -5.254 857 HD22 LEU 109 1HD2 LEU 109 -7.495 -0.930 -5.563 858 HD23 LEU 109 2HD2 LEU 109 -6.319 -0.159 -6.629 859 H THR 110 H THR 110 -3.815 2.713 -7.241 860 HA THR 110 HA THR 110 -1.016 3.289 -6.657 861 HB THR 110 HB THR 110 -1.651 3.695 -8.945 862 HG1 THR 110 HG1 THR 110 -0.252 5.257 -8.523 863 HG21 THR 110 3HG2 THR 110 -4.054 3.977 -8.659 864 HG22 THR 110 1HG2 THR 110 -3.376 5.328 -9.568 865 HG23 THR 110 2HG2 THR 110 -3.794 5.530 -7.866 866 H TYR 111 H TYR 111 -0.468 4.493 -4.984 867 HA TYR 111 HA TYR 111 -2.480 6.317 -3.838 868 HB2 TYR 111 2HB TYR 111 -0.437 4.597 -2.430 869 HB3 TYR 111 3HB TYR 111 -1.247 5.948 -1.644 870 HD1 TYR 111 HD2 TYR 111 -3.698 5.876 -1.278 871 HD2 TYR 111 HD1 TYR 111 -1.558 2.513 -2.769 872 HE1 TYR 111 HE2 TYR 111 -5.596 4.422 -0.706 873 HE2 TYR 111 HE1 TYR 111 -3.452 1.052 -2.202 874 HH TYR 111 HH TYR 111 -6.520 2.262 -1.342 875 H ASP 112 H ASP 112 -1.919 8.275 -4.447 876 HA ASP 112 HA ASP 112 0.919 9.023 -4.297 877 HB2 ASP 112 2HB ASP 112 0.371 10.872 -5.837 878 HB3 ASP 112 3HB ASP 112 0.011 9.300 -6.537 879 H PHE 113 H PHE 113 1.510 10.255 -2.693 880 HA PHE 113 HA PHE 113 -0.557 11.654 -1.148 881 HB2 PHE 113 2HB PHE 113 2.245 10.819 -0.364 882 HB3 PHE 113 3HB PHE 113 1.105 11.645 0.690 883 HD1 PHE 113 HD2 PHE 113 -0.946 10.481 1.434 884 HD2 PHE 113 HD1 PHE 113 2.120 8.481 -0.739 885 HE1 PHE 113 HE2 PHE 113 -1.857 8.312 2.149 886 HE2 PHE 113 HE1 PHE 113 1.213 6.305 -0.027 887 HZ PHE 113 HZ PHE 113 -0.780 6.222 1.420 888 H ASN 114 H ASN 114 -0.409 13.780 -0.672 889 HA ASN 114 HA ASN 114 0.237 15.954 -0.720 890 HB2 ASN 114 2HB ASN 114 2.484 15.237 -0.027 891 HB3 ASN 114 3HB ASN 114 2.908 14.933 -1.709 892 HD21 ASN 114 1HD2 ASN 114 4.555 16.382 -1.776 893 HD22 ASN 114 2HD2 ASN 114 4.320 18.093 -1.690 894 H GLY 115 H GLY 115 -1.083 16.787 -2.190 895 HA2 GLY 115 2HA GLY 115 -0.168 16.718 -5.003 896 HA3 GLY 115 3HA GLY 115 -1.860 16.524 -4.570 897 H LYS 116 H LYS 116 0.486 18.753 -3.182 898 HA LYS 116 HA LYS 116 -1.320 20.952 -3.771 899 HB2 LYS 116 2HB LYS 116 -0.116 20.525 -1.524 900 HB3 LYS 116 3HB LYS 116 1.307 21.180 -2.324 901 HG2 LYS 116 2HG LYS 116 0.174 23.271 -2.711 902 HG3 LYS 116 3HG LYS 116 -1.320 22.616 -2.041 903 HD2 LYS 116 2HD LYS 116 -0.020 22.215 0.099 904 HD3 LYS 116 3HD LYS 116 1.255 23.211 -0.607 905 HE2 LYS 116 2HE LYS 116 -0.204 24.535 0.835 906 HE3 LYS 116 3HE LYS 116 -0.311 25.063 -0.846 907 HZ1 LYS 116 3HZ LYS 116 -2.247 23.202 0.423 908 HZ2 LYS 116 1HZ LYS 116 -2.380 23.944 -1.097 909 HZ3 LYS 116 2HZ LYS 116 -2.488 24.877 0.314 910 H LEU 117 H LEU 117 -1.147 21.519 -5.858 911 HA LEU 117 HA LEU 117 1.263 21.341 -7.353 912 HB2 LEU 117 2HB LEU 117 -1.297 22.793 -8.025 913 HB3 LEU 117 3HB LEU 117 -0.019 22.391 -9.156 914 HG LEU 117 HG LEU 117 -1.739 20.390 -7.683 915 HD11 LEU 117 1HD1 LEU 117 -1.765 21.251 -10.576 916 HD12 LEU 117 2HD1 LEU 117 -2.988 21.641 -9.366 917 HD13 LEU 117 3HD1 LEU 117 -2.745 19.967 -9.866 918 HD21 LEU 117 3HD2 LEU 117 0.355 20.009 -9.824 919 HD22 LEU 117 1HD2 LEU 117 -0.702 18.750 -9.186 920 HD23 LEU 117 2HD2 LEU 117 0.486 19.519 -8.136 921 H GLU 118 H GLU 118 -0.731 24.217 -6.711 922 HA GLU 118 HA GLU 118 -0.243 26.391 -6.367 923 HB2 GLU 118 2HB GLU 118 2.428 25.277 -5.537 924 HB3 GLU 118 3HB GLU 118 1.973 26.965 -5.365 925 HG2 GLU 118 2HG GLU 118 0.112 26.281 -3.904 926 HG3 GLU 118 3HG GLU 118 0.662 24.609 -4.031 927 H HIS 119 H HIS 119 1.764 28.050 -6.897 928 HA HIS 119 HA HIS 119 2.276 27.630 -9.759 929 HB2 HIS 119 2HB HIS 119 1.018 29.685 -9.032 930 HB3 HIS 119 3HB HIS 119 2.455 30.197 -8.158 931 HD1 HIS 119 HD1 HIS 119 0.849 30.373 -11.425 932 HD2 HIS 119 HD2 HIS 119 4.723 30.729 -9.943 933 HE1 HIS 119 HE1 HIS 119 2.156 31.548 -13.219 934 HE2 HIS 119 HE2 HIS 119 4.536 31.560 -12.390 935 H HIS 120 H HIS 120 4.249 27.030 -10.315 936 HA HIS 120 HA HIS 120 6.323 26.621 -8.471 937 HB2 HIS 120 2HB HIS 120 6.346 26.729 -11.488 938 HB3 HIS 120 3HB HIS 120 7.767 26.314 -10.538 939 HD1 HIS 120 HD1 HIS 120 8.061 23.898 -10.060 940 HD2 HIS 120 HD2 HIS 120 4.109 24.845 -10.966 941 HE1 HIS 120 HE1 HIS 120 6.830 21.704 -10.124 942 HE2 HIS 120 HE2 HIS 120 4.433 22.300 -10.632 943 H HIS 121 H HIS 121 7.356 28.157 -7.410 944 HA HIS 121 HA HIS 121 7.876 30.699 -8.760 945 HB2 HIS 121 2HB HIS 121 6.676 30.808 -6.609 946 HB3 HIS 121 3HB HIS 121 8.039 30.031 -5.814 947 HD1 HIS 121 HD1 HIS 121 9.495 31.637 -4.632 948 HD2 HIS 121 HD2 HIS 121 7.670 33.357 -7.957 949 HE1 HIS 121 HE1 HIS 121 10.269 34.031 -4.675 950 HE2 HIS 121 HE2 HIS 121 9.083 35.083 -6.638 951 H HIS 122 H HIS 122 9.611 29.907 -10.000 952 HA HIS 122 HA HIS 122 12.134 30.167 -8.552 953 HB2 HIS 122 2HB HIS 122 11.455 27.860 -10.374 954 HB3 HIS 122 3HB HIS 122 13.116 28.360 -10.092 955 HD1 HIS 122 HD1 HIS 122 13.811 28.329 -7.426 956 HD2 HIS 122 HD2 HIS 122 10.534 26.051 -8.584 957 HE1 HIS 122 HE1 HIS 122 13.464 26.662 -5.583 958 HE2 HIS 122 HE2 HIS 122 11.658 25.130 -6.442 959 H HIS 123 H HIS 123 10.310 31.628 -10.483 960 HA HIS 123 HA HIS 123 12.373 32.543 -12.304 961 HB2 HIS 123 2HB HIS 123 10.996 30.604 -13.370 962 HB3 HIS 123 3HB HIS 123 9.693 31.783 -13.458 963 HD1 HIS 123 HD1 HIS 123 9.671 33.253 -15.482 964 HD2 HIS 123 HD2 HIS 123 13.364 31.423 -14.881 965 HE1 HIS 123 HE1 HIS 123 11.040 33.786 -17.525 966 HE2 HIS 123 HE2 HIS 123 13.210 32.554 -17.203 967 H HIS 124 H HIS 124 11.905 34.649 -13.123 968 HA HIS 124 HA HIS 124 10.271 36.235 -11.412 969 HB2 HIS 124 2HB HIS 124 11.799 36.844 -13.933 970 HB3 HIS 124 3HB HIS 124 10.785 38.052 -13.155 971 HD1 HIS 124 HD1 HIS 124 11.727 39.254 -11.171 972 HD2 HIS 124 HD2 HIS 124 14.075 36.040 -12.369 973 HE1 HIS 124 HE1 HIS 124 13.867 39.459 -9.867 974 HE2 HIS 124 HE2 HIS 124 15.210 37.417 -10.488 Start of MODEL 16 1 H1 MET 1 1H MET 1 -27.364 -9.858 -7.231 2 H2 MET 1 2H MET 1 -25.797 -10.287 -7.711 3 H3 MET 1 3H MET 1 -26.507 -11.045 -6.370 4 HA MET 1 HA MET 1 -26.569 -12.536 -8.200 5 HB2 MET 1 2HB MET 1 -29.297 -11.318 -7.722 6 HB3 MET 1 3HB MET 1 -29.000 -12.911 -8.396 7 HG2 MET 1 2HG MET 1 -29.522 -13.331 -6.179 8 HG3 MET 1 3HG MET 1 -27.762 -13.401 -6.217 9 HE1 MET 1 3HE MET 1 -30.209 -10.283 -6.218 10 HE2 MET 1 1HE MET 1 -30.236 -9.900 -4.496 11 HE3 MET 1 2HE MET 1 -30.918 -11.420 -5.072 12 H ASN 2 H ASN 2 -28.029 -9.402 -8.988 13 HA ASN 2 HA ASN 2 -28.783 -10.023 -11.621 14 HB2 ASN 2 2HB ASN 2 -28.163 -7.389 -10.289 15 HB3 ASN 2 3HB ASN 2 -28.724 -7.506 -11.956 16 HD21 ASN 2 1HD2 ASN 2 -30.817 -8.214 -12.371 17 HD22 ASN 2 2HD2 ASN 2 -32.038 -8.212 -11.136 18 H GLU 3 H GLU 3 -27.795 -9.946 -13.536 19 HA GLU 3 HA GLU 3 -24.927 -9.932 -13.584 20 HB2 GLU 3 2HB GLU 3 -26.910 -10.106 -15.869 21 HB3 GLU 3 3HB GLU 3 -25.183 -10.384 -16.001 22 HG2 GLU 3 2HG GLU 3 -26.235 -12.500 -15.966 23 HG3 GLU 3 3HG GLU 3 -25.452 -12.289 -14.402 24 H LEU 4 H LEU 4 -24.673 -7.713 -12.821 25 HA LEU 4 HA LEU 4 -25.457 -5.531 -14.480 26 HB2 LEU 4 2HB LEU 4 -24.999 -5.319 -12.056 27 HB3 LEU 4 3HB LEU 4 -23.304 -5.645 -12.364 28 HG LEU 4 HG LEU 4 -23.147 -3.585 -13.695 29 HD11 LEU 4 1HD1 LEU 4 -24.997 -1.979 -13.691 30 HD12 LEU 4 2HD1 LEU 4 -26.018 -3.160 -12.870 31 HD13 LEU 4 3HD1 LEU 4 -25.443 -3.477 -14.507 32 HD21 LEU 4 3HD2 LEU 4 -22.611 -3.498 -11.333 33 HD22 LEU 4 1HD2 LEU 4 -24.307 -3.209 -10.940 34 HD23 LEU 4 2HD2 LEU 4 -23.391 -1.998 -11.836 35 H ASP 5 H ASP 5 -22.132 -6.448 -13.637 36 HA ASP 5 HA ASP 5 -21.443 -6.620 -16.470 37 HB2 ASP 5 2HB ASP 5 -19.552 -5.111 -16.264 38 HB3 ASP 5 3HB ASP 5 -21.018 -4.260 -15.796 39 H ILE 6 H ILE 6 -21.627 -8.237 -13.871 40 HA ILE 6 HA ILE 6 -18.945 -8.943 -13.210 41 HB ILE 6 HB ILE 6 -20.070 -10.853 -11.960 42 HG12 ILE 6 2HG1 ILE 6 -22.557 -9.299 -12.721 43 HG13 ILE 6 3HG1 ILE 6 -22.142 -10.904 -13.313 44 HG21 ILE 6 1HG2 ILE 6 -19.342 -8.802 -10.883 45 HG22 ILE 6 2HG2 ILE 6 -20.864 -9.356 -10.188 46 HG23 ILE 6 3HG2 ILE 6 -20.856 -8.010 -11.326 47 HD11 ILE 6 3HD1 ILE 6 -22.742 -10.154 -10.459 48 HD12 ILE 6 1HD1 ILE 6 -22.269 -11.760 -11.016 49 HD13 ILE 6 2HD1 ILE 6 -23.791 -11.053 -11.557 50 H GLN 7 H GLN 7 -17.901 -9.645 -15.019 51 HA GLN 7 HA GLN 7 -18.885 -11.941 -16.495 52 HB2 GLN 7 2HB GLN 7 -16.266 -10.428 -16.627 53 HB3 GLN 7 3HB GLN 7 -16.713 -11.742 -17.706 54 HG2 GLN 7 2HG GLN 7 -18.428 -10.480 -18.703 55 HG3 GLN 7 3HG GLN 7 -18.373 -9.260 -17.431 56 HE21 GLN 7 1HE2 GLN 7 -18.099 -9.018 -20.352 57 HE22 GLN 7 2HE2 GLN 7 -16.583 -8.224 -20.603 58 H GLN 8 H GLN 8 -16.092 -11.167 -14.445 59 HA GLN 8 HA GLN 8 -15.880 -14.007 -13.741 60 HB2 GLN 8 2HB GLN 8 -14.029 -11.688 -13.121 61 HB3 GLN 8 3HB GLN 8 -13.764 -13.351 -12.615 62 HG2 GLN 8 2HG GLN 8 -13.697 -14.020 -14.994 63 HG3 GLN 8 3HG GLN 8 -13.843 -12.322 -15.442 64 HE21 GLN 8 1HE2 GLN 8 -12.097 -10.930 -15.079 65 HE22 GLN 8 2HE2 GLN 8 -10.493 -11.532 -14.798 66 H GLU 9 H GLU 9 -17.347 -14.471 -12.220 67 HA GLU 9 HA GLU 9 -18.412 -12.457 -10.501 68 HB2 GLU 9 2HB GLU 9 -19.722 -14.381 -11.441 69 HB3 GLU 9 3HB GLU 9 -18.853 -15.440 -10.337 70 HG2 GLU 9 2HG GLU 9 -19.724 -13.755 -8.528 71 HG3 GLU 9 3HG GLU 9 -20.930 -13.389 -9.761 72 H TYR 10 H TYR 10 -16.903 -11.707 -9.060 73 HA TYR 10 HA TYR 10 -16.663 -13.406 -6.732 74 HB2 TYR 10 2HB TYR 10 -14.491 -13.529 -8.246 75 HB3 TYR 10 3HB TYR 10 -14.147 -11.973 -7.494 76 HD1 TYR 10 HD1 TYR 10 -15.244 -12.450 -4.759 77 HD2 TYR 10 HD2 TYR 10 -12.893 -14.950 -7.276 78 HE1 TYR 10 HE1 TYR 10 -14.370 -13.611 -2.780 79 HE2 TYR 10 HE2 TYR 10 -12.014 -16.118 -5.296 80 HH TYR 10 HH TYR 10 -13.421 -15.846 -2.257 81 HA PRO 11 HA PRO 11 -17.771 -9.182 -5.606 82 HB2 PRO 11 2HB PRO 11 -19.474 -9.810 -3.646 83 HB3 PRO 11 3HB PRO 11 -19.902 -10.051 -5.344 84 HG2 PRO 11 2HG PRO 11 -19.010 -12.047 -3.308 85 HG3 PRO 11 3HG PRO 11 -20.246 -12.203 -4.567 86 HD2 PRO 11 2HD PRO 11 -17.646 -13.156 -4.751 87 HD3 PRO 11 3HD PRO 11 -18.724 -12.857 -6.127 88 H PHE 12 H PHE 12 -15.250 -9.997 -4.791 89 HA PHE 12 HA PHE 12 -15.127 -9.852 -1.903 90 HB2 PHE 12 2HB PHE 12 -12.684 -9.856 -2.183 91 HB3 PHE 12 3HB PHE 12 -13.427 -11.165 -3.090 92 HD1 PHE 12 HD1 PHE 12 -13.560 -11.043 -5.553 93 HD2 PHE 12 HD2 PHE 12 -11.461 -8.129 -3.270 94 HE1 PHE 12 HE1 PHE 12 -12.372 -10.315 -7.579 95 HE2 PHE 12 HE2 PHE 12 -10.277 -7.391 -5.297 96 HZ PHE 12 HZ PHE 12 -10.730 -8.483 -7.452 97 H THR 13 H THR 13 -14.612 -8.059 -0.689 98 HA THR 13 HA THR 13 -14.804 -5.537 -2.192 99 HB THR 13 HB THR 13 -15.485 -6.005 0.716 100 HG1 THR 13 HG1 THR 13 -16.797 -6.827 -1.418 101 HG21 THR 13 3HG2 THR 13 -16.688 -3.870 0.507 102 HG22 THR 13 1HG2 THR 13 -16.133 -3.721 -1.160 103 HG23 THR 13 2HG2 THR 13 -14.969 -3.672 0.165 104 H VAL 14 H VAL 14 -13.133 -4.178 -2.151 105 HA VAL 14 HA VAL 14 -10.900 -4.743 -0.359 106 HB VAL 14 HB VAL 14 -11.050 -2.796 -2.672 107 HG11 VAL 14 1HG1 VAL 14 -9.358 -2.186 -1.023 108 HG12 VAL 14 2HG1 VAL 14 -8.610 -2.756 -2.516 109 HG13 VAL 14 3HG1 VAL 14 -8.681 -3.813 -1.106 110 HG21 VAL 14 3HG2 VAL 14 -9.894 -5.578 -2.536 111 HG22 VAL 14 1HG2 VAL 14 -9.697 -4.461 -3.887 112 HG23 VAL 14 2HG2 VAL 14 -11.300 -5.067 -3.471 113 H GLU 15 H GLU 15 -11.006 -3.757 1.567 114 HA GLU 15 HA GLU 15 -12.092 -1.028 1.662 115 HB2 GLU 15 2HB GLU 15 -11.727 -3.004 3.924 116 HB3 GLU 15 3HB GLU 15 -12.432 -1.398 4.065 117 HG2 GLU 15 2HG GLU 15 -14.225 -2.119 2.495 118 HG3 GLU 15 3HG GLU 15 -13.546 -3.747 2.551 119 H SER 16 H SER 16 -10.739 0.578 1.972 120 HA SER 16 HA SER 16 -8.318 0.159 3.536 121 HB2 SER 16 2HB SER 16 -6.991 1.452 1.828 122 HB3 SER 16 3HB SER 16 -7.497 -0.149 1.292 123 HG SER 16 HG SER 16 -7.807 1.652 -0.229 124 H MET 17 H MET 17 -7.357 2.204 4.244 125 HA MET 17 HA MET 17 -9.433 4.168 4.755 126 HB2 MET 17 2HB MET 17 -6.718 3.640 5.898 127 HB3 MET 17 3HB MET 17 -7.454 5.222 6.112 128 HG2 MET 17 2HG MET 17 -8.693 2.608 6.938 129 HG3 MET 17 3HG MET 17 -7.848 3.722 8.010 130 HE1 MET 17 3HE MET 17 -11.605 4.144 9.083 131 HE2 MET 17 1HE MET 17 -9.964 3.802 9.639 132 HE3 MET 17 2HE MET 17 -10.794 2.663 8.577 133 HA PRO 18 HA PRO 18 -8.096 6.890 1.504 134 HB2 PRO 18 2HB PRO 18 -9.414 8.953 3.171 135 HB3 PRO 18 3HB PRO 18 -9.722 8.496 1.492 136 HG2 PRO 18 2HG PRO 18 -11.429 7.839 3.445 137 HG3 PRO 18 3HG PRO 18 -11.116 6.746 2.083 138 HD2 PRO 18 2HD PRO 18 -10.075 6.632 4.887 139 HD3 PRO 18 3HD PRO 18 -10.608 5.311 3.828 140 H VAL 19 H VAL 19 -5.910 7.022 1.807 141 HA VAL 19 HA VAL 19 -4.861 8.570 4.038 142 HB VAL 19 HB VAL 19 -2.635 7.798 3.198 143 HG11 VAL 19 1HG1 VAL 19 -2.920 5.481 3.941 144 HG12 VAL 19 2HG1 VAL 19 -4.667 5.644 3.778 145 HG13 VAL 19 3HG1 VAL 19 -3.797 6.606 4.976 146 HG21 VAL 19 3HG2 VAL 19 -3.202 7.468 0.855 147 HG22 VAL 19 1HG2 VAL 19 -4.321 6.175 1.291 148 HG23 VAL 19 2HG2 VAL 19 -2.590 5.971 1.555 149 H ALA 20 H ALA 20 -6.034 9.335 1.140 150 HA ALA 20 HA ALA 20 -3.963 11.144 0.254 151 HB1 ALA 20 3HB ALA 20 -6.798 10.826 -0.722 152 HB2 ALA 20 1HB ALA 20 -5.378 10.023 -1.393 153 HB3 ALA 20 2HB ALA 20 -5.532 11.777 -1.499 154 H ASP 21 H ASP 21 -4.238 11.898 2.671 155 HA ASP 21 HA ASP 21 -5.915 14.330 2.599 156 HB2 ASP 21 2HB ASP 21 -6.450 12.571 4.379 157 HB3 ASP 21 3HB ASP 21 -4.889 12.955 5.094 158 H GLU 22 H GLU 22 -3.143 13.470 1.739 159 HA GLU 22 HA GLU 22 -1.134 14.425 1.409 160 HB2 GLU 22 2HB GLU 22 -2.355 16.705 2.947 161 HB3 GLU 22 3HB GLU 22 -0.709 16.746 2.335 162 HG2 GLU 22 2HG GLU 22 -1.571 16.400 0.060 163 HG3 GLU 22 3HG GLU 22 -3.214 16.449 0.701 164 H ILE 23 H ILE 23 0.633 15.715 2.876 165 HA ILE 23 HA ILE 23 0.941 14.665 5.512 166 HB ILE 23 HB ILE 23 1.392 12.622 4.195 167 HG12 ILE 23 2HG1 ILE 23 3.901 13.804 5.407 168 HG13 ILE 23 3HG1 ILE 23 2.627 12.969 6.286 169 HG21 ILE 23 1HG2 ILE 23 2.109 13.627 2.115 170 HG22 ILE 23 2HG2 ILE 23 3.337 12.505 2.701 171 HG23 ILE 23 3HG2 ILE 23 3.571 14.244 2.885 172 HD11 ILE 23 3HD1 ILE 23 3.131 10.909 5.123 173 HD12 ILE 23 1HD1 ILE 23 4.581 11.550 5.896 174 HD13 ILE 23 2HD1 ILE 23 4.355 11.733 4.158 175 H ALA 24 H ALA 24 2.885 15.545 6.499 176 HA ALA 24 HA ALA 24 3.592 18.105 5.527 177 HB1 ALA 24 3HB ALA 24 3.686 17.638 7.880 178 HB2 ALA 24 1HB ALA 24 5.310 18.051 7.329 179 HB3 ALA 24 2HB ALA 24 4.882 16.362 7.628 180 H GLY 25 H GLY 25 5.351 15.039 5.619 181 HA2 GLY 25 2HA GLY 25 6.565 15.148 3.173 182 HA3 GLY 25 3HA GLY 25 7.636 16.064 4.230 183 H ASP 26 H ASP 26 8.981 15.013 5.566 184 HA ASP 26 HA ASP 26 9.190 12.145 5.329 185 HB2 ASP 26 2HB ASP 26 11.154 13.747 5.512 186 HB3 ASP 26 3HB ASP 26 10.719 13.970 7.201 187 H GLU 27 H GLU 27 7.045 11.731 6.172 188 HA GLU 27 HA GLU 27 7.077 11.483 9.091 189 HB2 GLU 27 2HB GLU 27 4.715 12.319 7.396 190 HB3 GLU 27 3HB GLU 27 4.616 11.891 9.090 191 HG2 GLU 27 2HG GLU 27 6.203 13.751 9.570 192 HG3 GLU 27 3HG GLU 27 6.029 14.221 7.885 193 H THR 28 H THR 28 4.813 10.105 9.473 194 HA THR 28 HA THR 28 5.116 7.709 7.769 195 HB THR 28 HB THR 28 4.605 7.699 10.752 196 HG1 THR 28 HG1 THR 28 6.787 8.350 10.024 197 HG21 THR 28 3HG2 THR 28 5.228 5.450 8.826 198 HG22 THR 28 1HG2 THR 28 3.655 5.774 9.556 199 HG23 THR 28 2HG2 THR 28 5.017 5.290 10.569 200 H VAL 29 H VAL 29 3.290 7.089 6.824 201 HA VAL 29 HA VAL 29 0.726 8.030 7.926 202 HB VAL 29 HB VAL 29 1.320 7.060 5.120 203 HG11 VAL 29 1HG1 VAL 29 -1.148 8.355 6.273 204 HG12 VAL 29 2HG1 VAL 29 -0.988 6.662 5.806 205 HG13 VAL 29 3HG1 VAL 29 -0.902 7.927 4.580 206 HG21 VAL 29 3HG2 VAL 29 1.036 9.422 4.469 207 HG22 VAL 29 1HG2 VAL 29 2.430 9.174 5.520 208 HG23 VAL 29 2HG2 VAL 29 0.943 9.860 6.175 209 H GLU 30 H GLU 30 -0.638 6.574 8.768 210 HA GLU 30 HA GLU 30 -0.016 3.748 8.596 211 HB2 GLU 30 2HB GLU 30 -2.221 5.213 10.055 212 HB3 GLU 30 3HB GLU 30 -1.890 3.491 10.192 213 HG2 GLU 30 2HG GLU 30 0.259 3.936 11.181 214 HG3 GLU 30 3HG GLU 30 0.051 5.669 10.930 215 H ILE 31 H ILE 31 -0.610 2.779 6.764 216 HA ILE 31 HA ILE 31 -3.169 3.497 5.514 217 HB ILE 31 HB ILE 31 -1.069 1.702 4.309 218 HG12 ILE 31 2HG1 ILE 31 -1.295 4.704 3.969 219 HG13 ILE 31 3HG1 ILE 31 -0.039 3.891 4.901 220 HG21 ILE 31 1HG2 ILE 31 -2.120 2.455 2.202 221 HG22 ILE 31 2HG2 ILE 31 -3.288 3.382 3.146 222 HG23 ILE 31 3HG2 ILE 31 -3.252 1.624 3.270 223 HD11 ILE 31 3HD1 ILE 31 0.770 2.807 2.881 224 HD12 ILE 31 1HD1 ILE 31 0.747 4.563 2.696 225 HD13 ILE 31 2HD1 ILE 31 -0.510 3.578 1.944 226 H ARG 32 H ARG 32 -4.814 2.273 6.134 227 HA ARG 32 HA ARG 32 -4.340 -0.421 7.139 228 HB2 ARG 32 2HB ARG 32 -5.716 1.088 8.477 229 HB3 ARG 32 3HB ARG 32 -6.822 1.307 7.131 230 HG2 ARG 32 2HG ARG 32 -7.533 -0.985 7.282 231 HG3 ARG 32 3HG ARG 32 -6.321 -1.314 8.524 232 HD2 ARG 32 2HD ARG 32 -8.554 0.698 8.810 233 HD3 ARG 32 3HD ARG 32 -8.621 -0.956 9.419 234 HE ARG 32 HE ARG 32 -6.899 -0.417 10.979 235 HH11 ARG 32 1HH1 ARG 32 -8.187 2.325 9.240 236 HH12 ARG 32 2HH1 ARG 32 -7.573 3.499 10.359 237 HH21 ARG 32 1HH2 ARG 32 -6.104 1.135 12.489 238 HH22 ARG 32 2HH2 ARG 32 -6.388 2.828 12.196 239 H LEU 33 H LEU 33 -4.568 -2.145 5.876 240 HA LEU 33 HA LEU 33 -6.373 -1.955 3.548 241 HB2 LEU 33 2HB LEU 33 -3.683 -3.237 3.847 242 HB3 LEU 33 3HB LEU 33 -4.836 -3.917 2.721 243 HG LEU 33 HG LEU 33 -3.376 -2.513 1.488 244 HD11 LEU 33 1HD1 LEU 33 -4.899 -0.845 0.559 245 HD12 LEU 33 2HD1 LEU 33 -5.977 -1.069 1.936 246 HD13 LEU 33 3HD1 LEU 33 -5.695 -2.398 0.811 247 HD21 LEU 33 3HD2 LEU 33 -3.022 -0.159 1.996 248 HD22 LEU 33 1HD2 LEU 33 -2.497 -1.185 3.329 249 HD23 LEU 33 2HD2 LEU 33 -4.026 -0.311 3.439 250 H GLU 34 H GLU 34 -8.029 -3.347 3.536 251 HA GLU 34 HA GLU 34 -7.527 -6.070 4.371 252 HB2 GLU 34 2HB GLU 34 -8.487 -4.829 6.394 253 HB3 GLU 34 3HB GLU 34 -9.982 -4.705 5.471 254 HG2 GLU 34 2HG GLU 34 -9.813 -7.242 5.213 255 HG3 GLU 34 3HG GLU 34 -8.609 -7.164 6.491 256 H ILE 35 H ILE 35 -8.021 -7.078 2.542 257 HA ILE 35 HA ILE 35 -10.355 -6.249 1.019 258 HB ILE 35 HB ILE 35 -8.389 -8.479 0.460 259 HG12 ILE 35 2HG1 ILE 35 -8.675 -5.745 -0.813 260 HG13 ILE 35 3HG1 ILE 35 -7.432 -6.188 0.351 261 HG21 ILE 35 1HG2 ILE 35 -10.550 -8.960 -0.530 262 HG22 ILE 35 2HG2 ILE 35 -9.403 -8.504 -1.791 263 HG23 ILE 35 3HG2 ILE 35 -10.612 -7.347 -1.238 264 HD11 ILE 35 3HD1 ILE 35 -6.578 -7.859 -1.230 265 HD12 ILE 35 1HD1 ILE 35 -6.534 -6.219 -1.880 266 HD13 ILE 35 2HD1 ILE 35 -7.791 -7.344 -2.399 267 H LYS 36 H LYS 36 -12.145 -6.790 2.006 268 HA LYS 36 HA LYS 36 -12.369 -9.137 3.648 269 HB2 LYS 36 2HB LYS 36 -13.434 -7.037 4.307 270 HB3 LYS 36 3HB LYS 36 -14.400 -7.045 2.840 271 HG2 LYS 36 2HG LYS 36 -15.569 -9.032 3.587 272 HG3 LYS 36 3HG LYS 36 -14.559 -9.102 5.032 273 HD2 LYS 36 2HD LYS 36 -16.110 -6.620 4.439 274 HD3 LYS 36 3HD LYS 36 -16.939 -8.016 5.126 275 HE2 LYS 36 2HE LYS 36 -16.250 -6.528 6.897 276 HE3 LYS 36 3HE LYS 36 -15.336 -8.028 6.992 277 HZ1 LYS 36 3HZ LYS 36 -13.429 -6.945 6.072 278 HZ2 LYS 36 1HZ LYS 36 -13.997 -6.005 7.354 279 HZ3 LYS 36 2HZ LYS 36 -14.302 -5.522 5.759 280 HA PRO 37 HA PRO 37 -13.880 -11.470 0.139 281 HB2 PRO 37 2HB PRO 37 -13.324 -13.904 1.207 282 HB3 PRO 37 3HB PRO 37 -12.103 -12.874 0.455 283 HG2 PRO 37 2HG PRO 37 -12.512 -13.526 3.284 284 HG3 PRO 37 3HG PRO 37 -11.072 -12.900 2.475 285 HD2 PRO 37 2HD PRO 37 -13.003 -11.459 4.032 286 HD3 PRO 37 3HD PRO 37 -11.546 -10.834 3.239 287 H SER 38 H SER 38 -16.013 -11.589 -0.087 288 HA SER 38 HA SER 38 -17.825 -12.194 2.008 289 HB2 SER 38 2HB SER 38 -19.438 -12.403 -0.007 290 HB3 SER 38 3HB SER 38 -18.676 -10.837 0.284 291 HG SER 38 HG SER 38 -17.991 -11.018 -1.694 292 H GLY 39 H GLY 39 -16.260 -14.046 -0.500 293 HA2 GLY 39 2HA GLY 39 -16.869 -16.497 0.910 294 HA3 GLY 39 3HA GLY 39 -17.567 -16.379 -0.701 295 H ASN 40 H ASN 40 -14.745 -17.052 1.116 296 HA ASN 40 HA ASN 40 -13.082 -16.966 -1.309 297 HB2 ASN 40 2HB ASN 40 -12.214 -15.883 0.766 298 HB3 ASN 40 3HB ASN 40 -12.211 -17.460 1.544 299 HD21 ASN 40 1HD2 ASN 40 -11.326 -16.774 -1.804 300 HD22 ASN 40 2HD2 ASN 40 -9.666 -17.233 -1.635 301 H PHE 41 H PHE 41 -13.592 -18.772 -2.424 302 HA PHE 41 HA PHE 41 -13.581 -21.336 -1.005 303 HB2 PHE 41 2HB PHE 41 -14.555 -20.646 -3.784 304 HB3 PHE 41 3HB PHE 41 -14.652 -22.237 -3.037 305 HD1 PHE 41 HD1 PHE 41 -16.073 -22.536 -0.999 306 HD2 PHE 41 HD2 PHE 41 -16.192 -19.010 -3.378 307 HE1 PHE 41 HE1 PHE 41 -18.247 -21.947 -0.011 308 HE2 PHE 41 HE2 PHE 41 -18.365 -18.414 -2.393 309 HZ PHE 41 HZ PHE 41 -19.392 -19.882 -0.704 310 H ILE 42 H ILE 42 -11.620 -22.151 -0.898 311 HA ILE 42 HA ILE 42 -9.571 -22.940 -1.438 312 HB ILE 42 HB ILE 42 -10.392 -22.502 -4.317 313 HG12 ILE 42 2HG1 ILE 42 -10.385 -25.010 -2.619 314 HG13 ILE 42 3HG1 ILE 42 -11.820 -24.119 -3.113 315 HG21 ILE 42 1HG2 ILE 42 -8.553 -24.063 -4.843 316 HG22 ILE 42 2HG2 ILE 42 -8.070 -24.037 -3.148 317 HG23 ILE 42 3HG2 ILE 42 -7.978 -22.564 -4.113 318 HD11 ILE 42 3HD1 ILE 42 -9.894 -25.510 -4.956 319 HD12 ILE 42 1HD1 ILE 42 -11.345 -24.636 -5.442 320 HD13 ILE 42 2HD1 ILE 42 -11.481 -26.104 -4.473 321 H GLY 43 H GLY 43 -8.393 -21.370 -0.503 322 HA2 GLY 43 2HA GLY 43 -7.744 -18.980 -2.081 323 HA3 GLY 43 3HA GLY 43 -7.486 -19.168 -0.351 324 H THR 44 H THR 44 -5.397 -18.196 -1.570 325 HA THR 44 HA THR 44 -3.478 -20.364 -1.493 326 HB THR 44 HB THR 44 -4.210 -20.215 -3.900 327 HG1 THR 44 HG1 THR 44 -2.189 -21.054 -3.607 328 HG21 THR 44 3HG2 THR 44 -2.890 -17.504 -3.746 329 HG22 THR 44 1HG2 THR 44 -4.598 -17.821 -4.051 330 HG23 THR 44 2HG2 THR 44 -3.384 -18.317 -5.230 331 H VAL 45 H VAL 45 -1.192 -19.274 -1.986 332 HA VAL 45 HA VAL 45 -0.966 -17.085 -0.114 333 HB VAL 45 HB VAL 45 1.234 -18.320 -1.782 334 HG11 VAL 45 1HG1 VAL 45 2.685 -17.495 0.021 335 HG12 VAL 45 2HG1 VAL 45 1.282 -16.756 0.794 336 HG13 VAL 45 3HG1 VAL 45 1.817 -16.188 -0.788 337 HG21 VAL 45 3HG2 VAL 45 1.710 -19.748 0.150 338 HG22 VAL 45 1HG2 VAL 45 0.109 -20.069 -0.517 339 HG23 VAL 45 2HG2 VAL 45 0.275 -19.123 0.964 340 H TYR 46 H TYR 46 -1.356 -15.083 -0.770 341 HA TYR 46 HA TYR 46 -1.425 -14.487 -3.600 342 HB2 TYR 46 2HB TYR 46 -2.102 -12.694 -1.261 343 HB3 TYR 46 3HB TYR 46 -2.551 -12.444 -2.948 344 HD1 TYR 46 HD1 TYR 46 -3.960 -14.367 -4.030 345 HD2 TYR 46 HD2 TYR 46 -3.616 -13.733 0.163 346 HE1 TYR 46 HE1 TYR 46 -6.023 -15.652 -3.674 347 HE2 TYR 46 HE2 TYR 46 -5.685 -15.013 0.533 348 HH TYR 46 HH TYR 46 -7.687 -15.685 -0.707 349 H THR 47 H THR 47 -0.360 -12.732 -4.585 350 HA THR 47 HA THR 47 2.289 -12.296 -3.416 351 HB THR 47 HB THR 47 1.322 -11.798 -6.240 352 HG1 THR 47 HG1 THR 47 1.385 -14.033 -5.713 353 HG21 THR 47 3HG2 THR 47 3.707 -11.620 -6.790 354 HG22 THR 47 1HG2 THR 47 4.112 -11.809 -5.084 355 HG23 THR 47 2HG2 THR 47 3.224 -10.385 -5.626 356 H LEU 48 H LEU 48 2.924 -10.370 -2.702 357 HA LEU 48 HA LEU 48 1.402 -7.992 -3.542 358 HB2 LEU 48 2HB LEU 48 0.997 -8.430 -1.190 359 HB3 LEU 48 3HB LEU 48 2.717 -8.561 -0.880 360 HG LEU 48 HG LEU 48 2.989 -6.167 -1.419 361 HD11 LEU 48 1HD1 LEU 48 -0.016 -6.163 -1.650 362 HD12 LEU 48 2HD1 LEU 48 1.132 -5.903 -2.964 363 HD13 LEU 48 3HD1 LEU 48 1.023 -4.738 -1.646 364 HD21 LEU 48 3HD2 LEU 48 2.675 -6.830 0.886 365 HD22 LEU 48 1HD2 LEU 48 0.922 -6.784 0.687 366 HD23 LEU 48 2HD2 LEU 48 1.861 -5.295 0.585 367 H ARG 49 H ARG 49 2.568 -6.702 -4.794 368 HA ARG 49 HA ARG 49 5.482 -6.599 -4.346 369 HB2 ARG 49 2HB ARG 49 3.963 -6.204 -6.932 370 HB3 ARG 49 3HB ARG 49 5.683 -5.910 -6.734 371 HG2 ARG 49 2HG ARG 49 5.927 -8.310 -6.075 372 HG3 ARG 49 3HG ARG 49 4.239 -8.538 -6.541 373 HD2 ARG 49 2HD ARG 49 5.670 -9.180 -8.374 374 HD3 ARG 49 3HD ARG 49 4.795 -7.711 -8.803 375 HE ARG 49 HE ARG 49 7.468 -7.366 -7.701 376 HH11 ARG 49 1HH1 ARG 49 5.440 -7.498 -10.553 377 HH12 ARG 49 2HH1 ARG 49 6.586 -6.692 -11.573 378 HH21 ARG 49 1HH2 ARG 49 8.999 -6.320 -9.036 379 HH22 ARG 49 2HH2 ARG 49 8.610 -6.001 -10.702 380 H TYR 50 H TYR 50 6.376 -4.671 -3.984 381 HA TYR 50 HA TYR 50 4.597 -2.337 -3.993 382 HB2 TYR 50 2HB TYR 50 5.573 -2.830 -1.813 383 HB3 TYR 50 3HB TYR 50 7.191 -2.847 -2.509 384 HD1 TYR 50 HD2 TYR 50 4.256 -0.516 -2.396 385 HD2 TYR 50 HD1 TYR 50 8.476 -0.990 -2.094 386 HE1 TYR 50 HE2 TYR 50 4.489 1.886 -1.923 387 HE2 TYR 50 HE1 TYR 50 8.718 1.409 -1.620 388 HH TYR 50 HH TYR 50 6.079 3.408 -0.846 389 H PHE 51 H PHE 51 4.920 -0.774 -5.415 390 HA PHE 51 HA PHE 51 7.570 -0.372 -6.576 391 HB2 PHE 51 2HB PHE 51 6.392 -1.827 -8.158 392 HB3 PHE 51 3HB PHE 51 5.029 -0.716 -8.188 393 HD1 PHE 51 HD1 PHE 51 8.668 -0.902 -8.931 394 HD2 PHE 51 HD2 PHE 51 4.934 0.953 -9.786 395 HE1 PHE 51 HE1 PHE 51 9.701 0.305 -10.808 396 HE2 PHE 51 HE2 PHE 51 5.961 2.158 -11.667 397 HZ PHE 51 HZ PHE 51 8.347 1.836 -12.181 398 H GLN 52 H GLN 52 7.964 1.765 -7.170 399 HA GLN 52 HA GLN 52 5.805 3.669 -6.575 400 HB2 GLN 52 2HB GLN 52 7.386 3.450 -4.664 401 HB3 GLN 52 3HB GLN 52 8.688 3.967 -5.725 402 HG2 GLN 52 2HG GLN 52 7.665 6.122 -6.011 403 HG3 GLN 52 3HG GLN 52 6.255 5.610 -5.083 404 HE21 GLN 52 1HE2 GLN 52 6.491 7.182 -3.558 405 HE22 GLN 52 2HE2 GLN 52 7.743 7.157 -2.374 406 HA PRO 53 HA PRO 53 7.070 4.822 -10.774 407 HB2 PRO 53 2HB PRO 53 4.875 6.761 -10.268 408 HB3 PRO 53 3HB PRO 53 5.129 5.677 -11.639 409 HG2 PRO 53 2HG PRO 53 3.265 5.142 -9.816 410 HG3 PRO 53 3HG PRO 53 4.244 3.845 -10.529 411 HD2 PRO 53 2HD PRO 53 4.477 5.143 -7.843 412 HD3 PRO 53 3HD PRO 53 4.676 3.436 -8.294 413 H ASP 54 H ASP 54 6.247 7.195 -8.215 414 HA ASP 54 HA ASP 54 8.642 8.700 -8.916 415 HB2 ASP 54 2HB ASP 54 6.746 9.611 -10.308 416 HB3 ASP 54 3HB ASP 54 5.952 10.078 -8.805 417 H GLY 55 H GLY 55 9.562 9.706 -7.211 418 HA2 GLY 55 2HA GLY 55 9.451 10.816 -5.080 419 HA3 GLY 55 3HA GLY 55 8.033 9.847 -4.698 420 H LYS 56 H LYS 56 9.713 9.769 -2.743 421 HA LYS 56 HA LYS 56 10.873 7.077 -3.002 422 HB2 LYS 56 2HB LYS 56 12.070 9.398 -1.473 423 HB3 LYS 56 3HB LYS 56 12.599 7.731 -1.309 424 HG2 LYS 56 2HG LYS 56 14.141 8.455 -2.801 425 HG3 LYS 56 3HG LYS 56 12.885 7.948 -3.931 426 HD2 LYS 56 2HD LYS 56 12.058 10.260 -4.026 427 HD3 LYS 56 3HD LYS 56 13.344 10.755 -2.923 428 HE2 LYS 56 2HE LYS 56 14.041 11.287 -5.140 429 HE3 LYS 56 3HE LYS 56 14.993 9.907 -4.593 430 HZ1 LYS 56 3HZ LYS 56 13.602 8.439 -5.873 431 HZ2 LYS 56 1HZ LYS 56 14.181 9.674 -6.881 432 HZ3 LYS 56 2HZ LYS 56 12.585 9.724 -6.322 433 H GLY 57 H GLY 57 10.305 5.667 -1.408 434 HA2 GLY 57 2HA GLY 57 9.207 6.661 1.082 435 HA3 GLY 57 3HA GLY 57 8.041 5.897 0.016 436 H SER 58 H SER 58 9.245 5.237 2.695 437 HA SER 58 HA SER 58 10.103 2.498 2.080 438 HB2 SER 58 2HB SER 58 11.686 3.755 3.461 439 HB3 SER 58 3HB SER 58 10.401 4.176 4.592 440 HG SER 58 HG SER 58 10.629 2.324 5.525 441 H LEU 59 H LEU 59 8.347 1.238 1.989 442 HA LEU 59 HA LEU 59 6.102 1.777 3.788 443 HB2 LEU 59 2HB LEU 59 5.687 1.571 1.345 444 HB3 LEU 59 3HB LEU 59 6.260 -0.083 1.413 445 HG LEU 59 HG LEU 59 4.401 -0.642 2.947 446 HD11 LEU 59 1HD1 LEU 59 2.554 0.951 3.200 447 HD12 LEU 59 2HD1 LEU 59 3.515 2.183 2.383 448 HD13 LEU 59 3HD1 LEU 59 4.042 1.543 3.939 449 HD21 LEU 59 3HD2 LEU 59 4.178 -1.020 0.555 450 HD22 LEU 59 1HD2 LEU 59 3.581 0.624 0.339 451 HD23 LEU 59 2HD2 LEU 59 2.634 -0.543 1.261 452 H LYS 60 H LYS 60 6.409 0.798 5.699 453 HA LYS 60 HA LYS 60 7.494 -1.933 5.694 454 HB2 LYS 60 2HB LYS 60 8.016 -1.567 8.065 455 HB3 LYS 60 3HB LYS 60 8.763 -0.342 7.053 456 HG2 LYS 60 2HG LYS 60 6.899 1.190 7.625 457 HG3 LYS 60 3HG LYS 60 6.300 -0.027 8.750 458 HD2 LYS 60 2HD LYS 60 9.064 1.166 8.888 459 HD3 LYS 60 3HD LYS 60 7.685 1.806 9.775 460 HE2 LYS 60 2HE LYS 60 8.690 0.451 11.351 461 HE3 LYS 60 3HE LYS 60 7.461 -0.617 10.678 462 HZ1 LYS 60 3HZ LYS 60 10.291 -0.592 9.767 463 HZ2 LYS 60 1HZ LYS 60 9.099 -1.733 9.389 464 HZ3 LYS 60 2HZ LYS 60 9.704 -1.635 10.966 465 H MET 61 H MET 61 6.414 -3.592 6.737 466 HA MET 61 HA MET 61 3.582 -3.285 7.083 467 HB2 MET 61 2HB MET 61 5.450 -5.591 7.659 468 HB3 MET 61 3HB MET 61 3.707 -5.673 7.871 469 HG2 MET 61 2HG MET 61 3.392 -5.220 5.495 470 HG3 MET 61 3HG MET 61 5.137 -5.129 5.279 471 HE1 MET 61 3HE MET 61 6.763 -7.169 5.412 472 HE2 MET 61 1HE MET 61 6.284 -8.786 5.925 473 HE3 MET 61 2HE MET 61 6.247 -7.449 7.074 474 H GLU 62 H GLU 62 2.758 -4.490 9.258 475 HA GLU 62 HA GLU 62 2.861 -2.639 11.255 476 HB2 GLU 62 2HB GLU 62 2.335 -5.602 11.468 477 HB3 GLU 62 3HB GLU 62 2.026 -4.460 12.769 478 HG2 GLU 62 2HG GLU 62 0.437 -3.269 11.377 479 HG3 GLU 62 3HG GLU 62 0.779 -4.357 10.032 480 H ASP 63 H ASP 63 4.725 -1.858 11.890 481 HA ASP 63 HA ASP 63 6.838 -1.622 12.640 482 HB2 ASP 63 2HB ASP 63 7.196 -2.338 14.878 483 HB3 ASP 63 3HB ASP 63 5.483 -1.991 14.712 484 H GLY 64 H GLY 64 6.573 -3.680 10.581 485 HA2 GLY 64 2HA GLY 64 8.829 -5.410 11.383 486 HA3 GLY 64 3HA GLY 64 7.473 -6.013 10.449 487 H THR 65 H THR 65 8.631 -6.678 8.735 488 HA THR 65 HA THR 65 10.826 -5.558 7.536 489 HB THR 65 HB THR 65 8.721 -6.984 5.930 490 HG1 THR 65 HG1 THR 65 9.568 -8.939 6.808 491 HG21 THR 65 3HG2 THR 65 10.740 -6.286 4.750 492 HG22 THR 65 1HG2 THR 65 10.685 -8.042 4.896 493 HG23 THR 65 2HG2 THR 65 11.740 -7.101 5.951 494 H VAL 66 H VAL 66 11.241 -4.114 5.941 495 HA VAL 66 HA VAL 66 9.072 -2.403 4.998 496 HB VAL 66 HB VAL 66 12.043 -2.260 4.435 497 HG11 VAL 66 1HG1 VAL 66 11.557 0.031 3.680 498 HG12 VAL 66 2HG1 VAL 66 9.833 -0.285 3.886 499 HG13 VAL 66 3HG1 VAL 66 10.760 -1.192 2.690 500 HG21 VAL 66 3HG2 VAL 66 12.088 -0.419 6.032 501 HG22 VAL 66 1HG2 VAL 66 11.551 -1.913 6.799 502 HG23 VAL 66 2HG2 VAL 66 10.377 -0.667 6.377 503 H LEU 67 H LEU 67 8.204 -2.562 3.007 504 HA LEU 67 HA LEU 67 8.784 -4.907 1.480 505 HB2 LEU 67 2HB LEU 67 6.976 -2.598 0.764 506 HB3 LEU 67 3HB LEU 67 6.943 -4.209 0.071 507 HG LEU 67 HG LEU 67 6.244 -3.490 2.923 508 HD11 LEU 67 1HD1 LEU 67 4.555 -2.792 1.321 509 HD12 LEU 67 2HD1 LEU 67 3.984 -4.144 2.298 510 HD13 LEU 67 3HD1 LEU 67 4.514 -4.416 0.638 511 HD21 LEU 67 3HD2 LEU 67 6.162 -6.164 1.526 512 HD22 LEU 67 1HD2 LEU 67 5.566 -5.827 3.152 513 HD23 LEU 67 2HD2 LEU 67 7.288 -5.690 2.799 514 H LYS 68 H LYS 68 10.484 -5.039 0.226 515 HA LYS 68 HA LYS 68 11.952 -2.916 -0.869 516 HB2 LYS 68 2HB LYS 68 11.763 -5.796 -1.778 517 HB3 LYS 68 3HB LYS 68 13.014 -4.663 -2.273 518 HG2 LYS 68 2HG LYS 68 13.930 -4.573 -0.105 519 HG3 LYS 68 3HG LYS 68 12.529 -5.367 0.606 520 HD2 LYS 68 2HD LYS 68 14.225 -7.001 0.540 521 HD3 LYS 68 3HD LYS 68 13.141 -7.392 -0.792 522 HE2 LYS 68 2HE LYS 68 15.590 -5.716 -1.215 523 HE3 LYS 68 3HE LYS 68 15.681 -7.476 -1.194 524 HZ1 LYS 68 3HZ LYS 68 14.106 -5.789 -3.068 525 HZ2 LYS 68 1HZ LYS 68 13.992 -7.484 -2.987 526 HZ3 LYS 68 2HZ LYS 68 15.454 -6.748 -3.433 527 HA PRO 69 HA PRO 69 9.083 -1.765 -4.100 528 HB2 PRO 69 2HB PRO 69 10.659 0.159 -5.222 529 HB3 PRO 69 3HB PRO 69 9.695 0.407 -3.763 530 HG2 PRO 69 2HG PRO 69 12.612 -0.179 -4.035 531 HG3 PRO 69 3HG PRO 69 11.790 0.927 -2.921 532 HD2 PRO 69 2HD PRO 69 12.684 -1.525 -2.180 533 HD3 PRO 69 3HD PRO 69 11.262 -0.756 -1.446 534 H ASN 70 H ASN 70 9.404 -3.859 -5.064 535 HA ASN 70 HA ASN 70 9.681 -4.072 -7.679 536 HB2 ASN 70 2HB ASN 70 11.997 -3.182 -7.607 537 HB3 ASN 70 3HB ASN 70 12.475 -4.540 -6.594 538 HD21 ASN 70 1HD2 ASN 70 11.454 -3.557 -9.780 539 HD22 ASN 70 2HD2 ASN 70 12.000 -4.975 -10.605 540 H ASP 71 H ASP 71 10.407 -5.459 -4.615 541 HA ASP 71 HA ASP 71 10.981 -8.107 -5.550 542 HB2 ASP 71 2HB ASP 71 11.695 -6.774 -3.359 543 HB3 ASP 71 3HB ASP 71 10.280 -7.592 -2.706 544 H ARG 72 H ARG 72 9.805 -9.871 -3.980 545 HA ARG 72 HA ARG 72 6.905 -9.596 -4.473 546 HB2 ARG 72 2HB ARG 72 8.617 -12.072 -4.733 547 HB3 ARG 72 3HB ARG 72 6.864 -12.069 -4.797 548 HG2 ARG 72 2HG ARG 72 7.008 -10.600 -6.801 549 HG3 ARG 72 3HG ARG 72 8.761 -10.820 -6.767 550 HD2 ARG 72 2HD ARG 72 6.695 -13.004 -7.022 551 HD3 ARG 72 3HD ARG 72 7.717 -12.385 -8.320 552 HE ARG 72 HE ARG 72 9.635 -13.290 -7.096 553 HH11 ARG 72 1HH1 ARG 72 6.453 -14.535 -6.272 554 HH12 ARG 72 2HH1 ARG 72 7.084 -16.036 -5.644 555 HH21 ARG 72 1HH2 ARG 72 10.429 -15.256 -6.264 556 HH22 ARG 72 2HH2 ARG 72 9.321 -16.432 -5.631 557 H TYR 73 H TYR 73 5.852 -9.539 -2.586 558 HA TYR 73 HA TYR 73 6.893 -11.194 -0.393 559 HB2 TYR 73 2HB TYR 73 5.131 -8.740 -0.342 560 HB3 TYR 73 3HB TYR 73 5.425 -9.752 1.072 561 HD1 TYR 73 HD2 TYR 73 7.040 -7.529 -1.404 562 HD2 TYR 73 HD1 TYR 73 7.446 -9.591 2.296 563 HE1 TYR 73 HE2 TYR 73 9.125 -6.305 -0.955 564 HE2 TYR 73 HE1 TYR 73 9.532 -8.376 2.751 565 HH TYR 73 HH TYR 73 11.261 -7.184 1.583 566 H LEU 74 H LEU 74 5.733 -12.845 0.341 567 HA LEU 74 HA LEU 74 3.219 -13.394 -1.076 568 HB2 LEU 74 2HB LEU 74 5.308 -15.179 0.150 569 HB3 LEU 74 3HB LEU 74 3.713 -15.782 -0.242 570 HG LEU 74 HG LEU 74 5.145 -16.394 -2.029 571 HD11 LEU 74 1HD1 LEU 74 3.563 -13.975 -2.872 572 HD12 LEU 74 2HD1 LEU 74 2.951 -15.621 -2.715 573 HD13 LEU 74 3HD1 LEU 74 4.162 -15.244 -3.940 574 HD21 LEU 74 3HD2 LEU 74 6.011 -13.512 -2.182 575 HD22 LEU 74 1HD2 LEU 74 6.492 -14.793 -3.296 576 HD23 LEU 74 2HD2 LEU 74 6.980 -14.864 -1.603 577 H LEU 75 H LEU 75 1.458 -12.968 0.048 578 HA LEU 75 HA LEU 75 1.500 -13.449 2.957 579 HB2 LEU 75 2HB LEU 75 0.012 -11.315 1.423 580 HB3 LEU 75 3HB LEU 75 -0.204 -11.642 3.133 581 HG LEU 75 HG LEU 75 2.348 -10.674 1.835 582 HD11 LEU 75 1HD1 LEU 75 0.370 -9.267 3.622 583 HD12 LEU 75 2HD1 LEU 75 0.644 -8.948 1.910 584 HD13 LEU 75 3HD1 LEU 75 1.917 -8.612 3.084 585 HD21 LEU 75 3HD2 LEU 75 1.704 -11.142 4.746 586 HD22 LEU 75 1HD2 LEU 75 3.200 -10.459 4.106 587 HD23 LEU 75 2HD2 LEU 75 2.775 -12.134 3.755 588 H ASN 76 H ASN 76 -0.242 -14.481 3.861 589 HA ASN 76 HA ASN 76 -1.773 -16.076 1.988 590 HB2 ASN 76 2HB ASN 76 -1.506 -16.212 4.996 591 HB3 ASN 76 3HB ASN 76 -2.507 -17.306 4.050 592 HD21 ASN 76 1HD2 ASN 76 -1.315 -19.094 4.725 593 HD22 ASN 76 2HD2 ASN 76 0.279 -19.415 4.114 594 H GLU 77 H GLU 77 -2.254 -13.295 3.913 595 HA GLU 77 HA GLU 77 -5.153 -13.452 3.438 596 HB2 GLU 77 2HB GLU 77 -3.803 -12.436 5.946 597 HB3 GLU 77 3HB GLU 77 -5.520 -12.286 5.598 598 HG2 GLU 77 2HG GLU 77 -5.748 -14.707 5.598 599 HG3 GLU 77 3HG GLU 77 -4.020 -14.880 5.896 600 H TRP 78 H TRP 78 -6.218 -11.357 3.351 601 HA TRP 78 HA TRP 78 -4.472 -9.364 2.115 602 HB2 TRP 78 2HB TRP 78 -7.481 -9.597 2.188 603 HB3 TRP 78 3HB TRP 78 -6.601 -8.311 1.382 604 HD1 TRP 78 HD1 TRP 78 -4.675 -9.519 -0.527 605 HE1 TRP 78 HE1 TRP 78 -5.359 -11.186 -2.380 606 HE3 TRP 78 HE3 TRP 78 -9.057 -11.228 1.489 607 HZ2 TRP 78 HZ2 TRP 78 -7.464 -12.986 -2.891 608 HZ3 TRP 78 HZ3 TRP 78 -10.342 -12.919 0.254 609 HH2 TRP 78 HH2 TRP 78 -9.562 -13.780 -1.893 610 H LYS 79 H LYS 79 -5.440 -9.921 5.168 611 HA LYS 79 HA LYS 79 -6.181 -7.144 5.768 612 HB2 LYS 79 2HB LYS 79 -7.621 -8.914 6.700 613 HB3 LYS 79 3HB LYS 79 -6.235 -9.607 7.528 614 HG2 LYS 79 2HG LYS 79 -6.004 -7.425 8.757 615 HG3 LYS 79 3HG LYS 79 -7.564 -6.967 8.073 616 HD2 LYS 79 2HD LYS 79 -7.846 -7.884 10.311 617 HD3 LYS 79 3HD LYS 79 -8.590 -8.942 9.110 618 HE2 LYS 79 2HE LYS 79 -6.641 -10.401 9.167 619 HE3 LYS 79 3HE LYS 79 -5.857 -9.332 10.330 620 HZ1 LYS 79 3HZ LYS 79 -8.387 -10.827 10.799 621 HZ2 LYS 79 1HZ LYS 79 -7.601 -9.829 11.925 622 HZ3 LYS 79 2HZ LYS 79 -6.862 -11.262 11.396 623 H PHE 80 H PHE 80 -4.711 -5.779 6.522 624 HA PHE 80 HA PHE 80 -2.813 -6.340 8.515 625 HB2 PHE 80 2HB PHE 80 -0.718 -6.087 7.127 626 HB3 PHE 80 3HB PHE 80 -1.548 -7.626 6.944 627 HD1 PHE 80 HD1 PHE 80 -0.944 -4.349 5.332 628 HD2 PHE 80 HD2 PHE 80 -2.340 -8.339 4.844 629 HE1 PHE 80 HE1 PHE 80 -0.982 -4.036 2.891 630 HE2 PHE 80 HE2 PHE 80 -2.381 -8.033 2.404 631 HZ PHE 80 HZ PHE 80 -1.701 -5.877 1.425 632 H ARG 81 H ARG 81 -1.324 -4.489 8.891 633 HA ARG 81 HA ARG 81 -2.388 -2.007 7.703 634 HB2 ARG 81 2HB ARG 81 -0.873 -2.265 10.307 635 HB3 ARG 81 3HB ARG 81 -1.687 -0.834 9.693 636 HG2 ARG 81 2HG ARG 81 -3.844 -2.023 9.905 637 HG3 ARG 81 3HG ARG 81 -2.982 -3.386 10.624 638 HD2 ARG 81 2HD ARG 81 -3.335 -0.605 11.714 639 HD3 ARG 81 3HD ARG 81 -3.804 -2.137 12.449 640 HE ARG 81 HE ARG 81 -1.035 -1.153 12.192 641 HH11 ARG 81 1HH1 ARG 81 -3.436 -3.136 13.800 642 HH12 ARG 81 2HH1 ARG 81 -2.335 -3.677 15.033 643 HH21 ARG 81 1HH2 ARG 81 0.389 -1.823 13.833 644 HH22 ARG 81 2HH2 ARG 81 -0.166 -2.934 15.047 645 H LEU 82 H LEU 82 -1.024 -0.635 6.673 646 HA LEU 82 HA LEU 82 1.817 -1.415 6.568 647 HB2 LEU 82 2HB LEU 82 0.114 -0.004 4.511 648 HB3 LEU 82 3HB LEU 82 1.842 -0.264 4.363 649 HG LEU 82 HG LEU 82 -0.224 -2.457 4.528 650 HD11 LEU 82 1HD1 LEU 82 1.326 -1.387 2.176 651 HD12 LEU 82 2HD1 LEU 82 -0.407 -1.210 2.449 652 HD13 LEU 82 3HD1 LEU 82 0.280 -2.806 2.157 653 HD21 LEU 82 3HD2 LEU 82 2.726 -2.578 3.914 654 HD22 LEU 82 1HD2 LEU 82 1.607 -3.940 3.944 655 HD23 LEU 82 2HD2 LEU 82 1.980 -3.072 5.433 656 H TYR 83 H TYR 83 3.364 0.121 6.913 657 HA TYR 83 HA TYR 83 2.394 2.786 7.708 658 HB2 TYR 83 2HB TYR 83 4.797 1.254 8.724 659 HB3 TYR 83 3HB TYR 83 4.369 2.897 9.197 660 HD1 TYR 83 HD1 TYR 83 3.312 -0.642 9.382 661 HD2 TYR 83 HD2 TYR 83 2.704 3.305 10.841 662 HE1 TYR 83 HE1 TYR 83 1.891 -1.531 11.179 663 HE2 TYR 83 HE2 TYR 83 1.285 2.427 12.643 664 HH TYR 83 HH TYR 83 0.011 0.540 13.234 665 H TYR 84 H TYR 84 2.814 4.179 6.139 666 HA TYR 84 HA TYR 84 5.121 3.732 4.411 667 HB2 TYR 84 2HB TYR 84 2.952 4.214 3.350 668 HB3 TYR 84 3HB TYR 84 2.887 5.763 4.188 669 HD1 TYR 84 HD1 TYR 84 4.768 3.826 1.648 670 HD2 TYR 84 HD2 TYR 84 4.005 7.664 3.320 671 HE1 TYR 84 HE1 TYR 84 5.998 4.873 -0.203 672 HE2 TYR 84 HE2 TYR 84 5.236 8.720 1.472 673 HH TYR 84 HH TYR 84 7.001 8.098 -0.149 674 H THR 85 H THR 85 6.969 4.525 5.121 675 HA THR 85 HA THR 85 6.998 7.172 6.403 676 HB THR 85 HB THR 85 9.362 5.320 6.114 677 HG1 THR 85 HG1 THR 85 7.122 4.872 7.529 678 HG21 THR 85 3HG2 THR 85 9.810 7.640 6.785 679 HG22 THR 85 1HG2 THR 85 10.160 6.517 8.100 680 HG23 THR 85 2HG2 THR 85 8.676 7.472 8.125 681 H SER 86 H SER 86 7.263 8.808 4.990 682 HA SER 86 HA SER 86 8.106 8.415 2.322 683 HB2 SER 86 2HB SER 86 7.973 11.009 3.868 684 HB3 SER 86 3HB SER 86 7.980 10.831 2.111 685 HG SER 86 HG SER 86 5.888 10.931 3.606 686 H GLN 87 H GLN 87 10.016 8.852 1.284 687 HA GLN 87 HA GLN 87 12.317 9.470 3.018 688 HB2 GLN 87 2HB GLN 87 12.389 7.942 0.410 689 HB3 GLN 87 3HB GLN 87 13.712 8.158 1.542 690 HG2 GLN 87 2HG GLN 87 11.225 6.776 2.431 691 HG3 GLN 87 3HG GLN 87 12.391 5.918 1.434 692 HE21 GLN 87 1HE2 GLN 87 13.317 8.322 3.826 693 HE22 GLN 87 2HE2 GLN 87 14.053 7.209 4.912 694 H SER 88 H SER 88 10.302 10.828 0.942 695 HA SER 88 HA SER 88 12.323 12.723 -0.015 696 HB2 SER 88 2HB SER 88 10.904 13.020 -2.086 697 HB3 SER 88 3HB SER 88 11.723 11.461 -1.978 698 HG SER 88 HG SER 88 9.029 11.946 -1.211 699 H ASP 89 H ASP 89 11.554 14.898 -0.180 700 HA ASP 89 HA ASP 89 9.343 15.350 1.703 701 HB2 ASP 89 2HB ASP 89 11.541 16.209 2.386 702 HB3 ASP 89 3HB ASP 89 11.624 17.174 0.915 703 H LYS 90 H LYS 90 7.500 15.905 0.841 704 HA LYS 90 HA LYS 90 5.905 16.693 -0.558 705 HB2 LYS 90 2HB LYS 90 7.850 18.995 -0.707 706 HB3 LYS 90 3HB LYS 90 6.165 19.060 -1.202 707 HG2 LYS 90 2HG LYS 90 5.559 18.411 1.148 708 HG3 LYS 90 3HG LYS 90 7.252 18.665 1.568 709 HD2 LYS 90 2HD LYS 90 5.454 20.740 0.326 710 HD3 LYS 90 3HD LYS 90 5.814 20.622 2.049 711 HE2 LYS 90 2HE LYS 90 7.879 21.016 -0.114 712 HE3 LYS 90 3HE LYS 90 7.180 22.317 0.847 713 HZ1 LYS 90 3HZ LYS 90 9.250 21.712 1.811 714 HZ2 LYS 90 1HZ LYS 90 8.851 20.061 1.825 715 HZ3 LYS 90 2HZ LYS 90 8.034 21.142 2.844 716 H GLU 91 H GLU 91 7.393 14.868 -1.860 717 HA GLU 91 HA GLU 91 7.981 16.007 -4.498 718 HB2 GLU 91 2HB GLU 91 9.652 14.509 -3.317 719 HB3 GLU 91 3HB GLU 91 8.507 13.192 -3.520 720 HG2 GLU 91 2HG GLU 91 10.246 13.143 -5.220 721 HG3 GLU 91 3HG GLU 91 8.652 13.401 -5.932 722 H ALA 92 H ALA 92 5.333 15.224 -3.055 723 HA ALA 92 HA ALA 92 3.359 14.170 -3.440 724 HB1 ALA 92 3HB ALA 92 4.161 14.498 -6.328 725 HB2 ALA 92 1HB ALA 92 3.360 15.720 -5.342 726 HB3 ALA 92 2HB ALA 92 2.530 14.211 -5.722 727 H GLN 93 H GLN 93 4.434 12.323 -2.460 728 HA GLN 93 HA GLN 93 5.791 10.371 -3.976 729 HB2 GLN 93 2HB GLN 93 4.484 10.161 -1.259 730 HB3 GLN 93 3HB GLN 93 5.536 8.942 -1.956 731 HG2 GLN 93 2HG GLN 93 6.885 10.165 -0.479 732 HG3 GLN 93 3HG GLN 93 7.322 10.725 -2.090 733 HE21 GLN 93 1HE2 GLN 93 4.434 11.660 -0.315 734 HE22 GLN 93 2HE2 GLN 93 4.878 13.315 -0.107 735 H THR 94 H THR 94 4.902 9.226 -5.518 736 HA THR 94 HA THR 94 2.102 8.372 -5.217 737 HB THR 94 HB THR 94 3.717 8.450 -7.771 738 HG1 THR 94 HG1 THR 94 3.268 10.551 -6.530 739 HG21 THR 94 3HG2 THR 94 0.744 8.353 -7.236 740 HG22 THR 94 1HG2 THR 94 1.736 7.024 -7.834 741 HG23 THR 94 2HG2 THR 94 1.494 8.461 -8.829 742 H ILE 95 H ILE 95 1.865 6.312 -4.630 743 HA ILE 95 HA ILE 95 3.934 4.380 -5.456 744 HB ILE 95 HB ILE 95 3.398 3.056 -3.469 745 HG12 ILE 95 2HG1 ILE 95 1.627 5.375 -2.663 746 HG13 ILE 95 3HG1 ILE 95 1.042 3.811 -3.220 747 HG21 ILE 95 1HG2 ILE 95 4.098 5.922 -2.863 748 HG22 ILE 95 2HG2 ILE 95 5.217 4.641 -3.328 749 HG23 ILE 95 3HG2 ILE 95 4.374 4.556 -1.782 750 HD11 ILE 95 3HD1 ILE 95 2.101 2.742 -1.288 751 HD12 ILE 95 1HD1 ILE 95 0.925 3.967 -0.810 752 HD13 ILE 95 2HD1 ILE 95 2.649 4.322 -0.726 753 H ASP 96 H ASP 96 3.227 2.252 -5.987 754 HA ASP 96 HA ASP 96 0.355 2.037 -6.601 755 HB2 ASP 96 2HB ASP 96 1.933 2.574 -8.594 756 HB3 ASP 96 3HB ASP 96 2.478 0.911 -8.414 757 H LEU 97 H LEU 97 -0.402 0.439 -5.392 758 HA LEU 97 HA LEU 97 1.417 -1.614 -4.413 759 HB2 LEU 97 2HB LEU 97 -1.473 -1.070 -3.725 760 HB3 LEU 97 3HB LEU 97 -0.427 -2.219 -2.911 761 HG LEU 97 HG LEU 97 -0.050 0.778 -2.946 762 HD11 LEU 97 1HD1 LEU 97 -0.973 -1.082 -0.758 763 HD12 LEU 97 2HD1 LEU 97 -1.958 0.114 -1.603 764 HD13 LEU 97 3HD1 LEU 97 -0.630 0.639 -0.569 765 HD21 LEU 97 3HD2 LEU 97 2.077 -0.390 -2.835 766 HD22 LEU 97 1HD2 LEU 97 1.481 -1.393 -1.513 767 HD23 LEU 97 2HD2 LEU 97 1.699 0.341 -1.275 768 H TYR 98 H TYR 98 1.683 -3.354 -5.643 769 HA TYR 98 HA TYR 98 -0.466 -4.233 -7.399 770 HB2 TYR 98 2HB TYR 98 2.420 -5.071 -7.134 771 HB3 TYR 98 3HB TYR 98 1.282 -5.868 -8.214 772 HD1 TYR 98 HD1 TYR 98 0.312 -4.602 -10.121 773 HD2 TYR 98 HD2 TYR 98 3.427 -2.996 -7.712 774 HE1 TYR 98 HE1 TYR 98 0.818 -2.962 -11.878 775 HE2 TYR 98 HE2 TYR 98 3.935 -1.346 -9.461 776 HH TYR 98 HH TYR 98 1.875 -0.685 -12.019 777 H PHE 99 H PHE 99 -1.966 -5.271 -6.179 778 HA PHE 99 HA PHE 99 -1.119 -7.568 -4.581 779 HB2 PHE 99 2HB PHE 99 -3.875 -6.415 -5.108 780 HB3 PHE 99 3HB PHE 99 -3.557 -7.815 -4.094 781 HD1 PHE 99 HD1 PHE 99 -3.178 -4.174 -4.392 782 HD2 PHE 99 HD2 PHE 99 -2.692 -7.577 -1.884 783 HE1 PHE 99 HE1 PHE 99 -2.861 -2.696 -2.452 784 HE2 PHE 99 HE2 PHE 99 -2.376 -6.103 0.061 785 HZ PHE 99 HZ PHE 99 -2.461 -3.658 -0.225 786 H GLU 100 H GLU 100 -0.810 -9.441 -5.594 787 HA GLU 100 HA GLU 100 -2.199 -9.846 -8.161 788 HB2 GLU 100 2HB GLU 100 0.473 -9.709 -7.757 789 HB3 GLU 100 3HB GLU 100 0.222 -11.429 -7.508 790 HG2 GLU 100 2HG GLU 100 -0.854 -10.077 -9.947 791 HG3 GLU 100 3HG GLU 100 0.839 -10.555 -9.854 792 H ASP 101 H ASP 101 -3.718 -11.333 -8.124 793 HA ASP 101 HA ASP 101 -3.650 -13.389 -6.039 794 HB2 ASP 101 2HB ASP 101 -5.922 -12.474 -7.821 795 HB3 ASP 101 3HB ASP 101 -6.043 -13.755 -6.620 796 H ASN 102 H ASN 102 -2.425 -14.965 -6.769 797 HA ASN 102 HA ASN 102 -1.860 -15.574 -9.401 798 HB2 ASN 102 2HB ASN 102 -1.700 -17.340 -6.959 799 HB3 ASN 102 3HB ASN 102 -0.966 -17.725 -8.512 800 HD21 ASN 102 1HD2 ASN 102 0.862 -16.665 -9.158 801 HD22 ASN 102 2HD2 ASN 102 1.771 -15.626 -8.118 802 H TRP 103 H TRP 103 -4.620 -16.583 -7.548 803 HA TRP 103 HA TRP 103 -5.286 -18.563 -9.613 804 HB2 TRP 103 2HB TRP 103 -6.729 -19.626 -8.050 805 HB3 TRP 103 3HB TRP 103 -5.242 -19.270 -7.183 806 HD1 TRP 103 HD1 TRP 103 -5.441 -16.779 -5.710 807 HE1 TRP 103 HE1 TRP 103 -7.406 -16.064 -4.204 808 HE3 TRP 103 HE3 TRP 103 -9.074 -19.839 -7.606 809 HZ2 TRP 103 HZ2 TRP 103 -10.130 -16.712 -3.868 810 HZ3 TRP 103 HZ3 TRP 103 -11.335 -19.727 -6.635 811 HH2 TRP 103 HH2 TRP 103 -11.849 -18.197 -4.805 812 H GLY 104 H GLY 104 -5.796 -15.407 -9.080 813 HA2 GLY 104 2HA GLY 104 -8.553 -15.522 -10.134 814 HA3 GLY 104 3HA GLY 104 -8.091 -14.367 -8.894 815 H ASN 105 H ASN 105 -6.829 -12.585 -9.437 816 HA ASN 105 HA ASN 105 -5.900 -12.184 -12.125 817 HB2 ASN 105 2HB ASN 105 -7.336 -10.304 -12.687 818 HB3 ASN 105 3HB ASN 105 -8.317 -11.736 -12.400 819 HD21 ASN 105 1HD2 ASN 105 -8.894 -8.839 -12.274 820 HD22 ASN 105 2HD2 ASN 105 -9.576 -8.579 -10.704 821 H LEU 106 H LEU 106 -5.931 -9.314 -12.015 822 HA LEU 106 HA LEU 106 -3.985 -8.952 -9.830 823 HB2 LEU 106 2HB LEU 106 -2.928 -8.928 -12.016 824 HB3 LEU 106 3HB LEU 106 -4.056 -7.713 -12.584 825 HG LEU 106 HG LEU 106 -3.107 -6.117 -10.926 826 HD11 LEU 106 1HD1 LEU 106 -2.244 -7.735 -9.321 827 HD12 LEU 106 2HD1 LEU 106 -0.980 -6.633 -9.869 828 HD13 LEU 106 3HD1 LEU 106 -1.052 -8.277 -10.503 829 HD21 LEU 106 3HD2 LEU 106 -2.366 -6.094 -13.240 830 HD22 LEU 106 1HD2 LEU 106 -1.150 -7.320 -12.879 831 HD23 LEU 106 2HD2 LEU 106 -1.027 -5.716 -12.154 832 H GLN 107 H GLN 107 -4.406 -7.456 -8.362 833 HA GLN 107 HA GLN 107 -6.232 -5.251 -9.073 834 HB2 GLN 107 2HB GLN 107 -6.165 -7.018 -6.706 835 HB3 GLN 107 3HB GLN 107 -6.351 -5.310 -6.348 836 HG2 GLN 107 2HG GLN 107 -8.517 -6.205 -6.474 837 HG3 GLN 107 3HG GLN 107 -8.274 -5.286 -7.956 838 HE21 GLN 107 1HE2 GLN 107 -6.996 -8.508 -7.290 839 HE22 GLN 107 2HE2 GLN 107 -7.938 -9.316 -8.496 840 H GLN 108 H GLN 108 -5.068 -3.448 -9.316 841 HA GLN 108 HA GLN 108 -2.755 -3.068 -7.543 842 HB2 GLN 108 2HB GLN 108 -1.856 -1.550 -9.289 843 HB3 GLN 108 3HB GLN 108 -2.041 -3.206 -9.842 844 HG2 GLN 108 2HG GLN 108 -4.178 -2.538 -10.922 845 HG3 GLN 108 3HG GLN 108 -3.825 -0.870 -10.474 846 HE21 GLN 108 1HE2 GLN 108 -3.701 -0.155 -12.579 847 HE22 GLN 108 2HE2 GLN 108 -2.389 -0.574 -13.636 848 H LEU 109 H LEU 109 -2.735 -1.405 -6.200 849 HA LEU 109 HA LEU 109 -4.926 0.555 -6.427 850 HB2 LEU 109 2HB LEU 109 -3.484 -0.388 -3.947 851 HB3 LEU 109 3HB LEU 109 -4.771 0.798 -3.990 852 HG LEU 109 HG LEU 109 -5.049 -2.118 -4.718 853 HD11 LEU 109 1HD1 LEU 109 -6.056 -0.569 -2.337 854 HD12 LEU 109 2HD1 LEU 109 -4.748 -1.751 -2.324 855 HD13 LEU 109 3HD1 LEU 109 -6.394 -2.263 -2.692 856 HD21 LEU 109 3HD2 LEU 109 -7.115 0.073 -4.554 857 HD22 LEU 109 1HD2 LEU 109 -7.448 -1.639 -4.827 858 HD23 LEU 109 2HD2 LEU 109 -6.547 -0.712 -6.028 859 H THR 110 H THR 110 -4.224 2.474 -7.081 860 HA THR 110 HA THR 110 -1.428 3.210 -6.593 861 HB THR 110 HB THR 110 -3.425 4.608 -8.383 862 HG1 THR 110 HG1 THR 110 -1.756 2.348 -8.829 863 HG21 THR 110 3HG2 THR 110 -0.402 4.604 -8.349 864 HG22 THR 110 1HG2 THR 110 -1.436 5.920 -7.786 865 HG23 THR 110 2HG2 THR 110 -1.422 5.476 -9.492 866 H TYR 111 H TYR 111 -0.911 4.732 -5.136 867 HA TYR 111 HA TYR 111 -2.990 6.606 -4.225 868 HB2 TYR 111 2HB TYR 111 -1.200 4.892 -2.498 869 HB3 TYR 111 3HB TYR 111 -1.995 6.337 -1.889 870 HD1 TYR 111 HD2 TYR 111 -4.449 6.418 -1.711 871 HD2 TYR 111 HD1 TYR 111 -2.425 2.852 -2.837 872 HE1 TYR 111 HE2 TYR 111 -6.472 5.122 -1.208 873 HE2 TYR 111 HE1 TYR 111 -4.444 1.542 -2.326 874 HH TYR 111 HH TYR 111 -7.494 3.036 -1.731 875 H ASP 112 H ASP 112 -2.250 8.630 -3.575 876 HA ASP 112 HA ASP 112 0.626 9.118 -3.900 877 HB2 ASP 112 2HB ASP 112 0.199 11.168 -5.152 878 HB3 ASP 112 3HB ASP 112 -0.500 9.790 -5.989 879 H PHE 113 H PHE 113 1.511 10.446 -2.439 880 HA PHE 113 HA PHE 113 -0.302 11.703 -0.477 881 HB2 PHE 113 2HB PHE 113 2.594 10.904 -0.103 882 HB3 PHE 113 3HB PHE 113 1.514 11.527 1.138 883 HD1 PHE 113 HD2 PHE 113 -0.262 10.121 2.055 884 HD2 PHE 113 HD1 PHE 113 2.506 8.621 -0.805 885 HE1 PHE 113 HE2 PHE 113 -0.916 7.822 2.630 886 HE2 PHE 113 HE1 PHE 113 1.857 6.319 -0.234 887 HZ PHE 113 HZ PHE 113 0.143 5.919 1.486 888 H ASN 114 H ASN 114 -0.199 13.859 -0.185 889 HA ASN 114 HA ASN 114 0.367 16.051 -0.437 890 HB2 ASN 114 2HB ASN 114 2.518 15.178 0.613 891 HB3 ASN 114 3HB ASN 114 3.181 15.084 -1.012 892 HD21 ASN 114 1HD2 ASN 114 2.233 17.178 1.583 893 HD22 ASN 114 2HD2 ASN 114 2.910 18.630 0.936 894 H GLY 115 H GLY 115 -0.470 14.374 -2.710 895 HA2 GLY 115 2HA GLY 115 1.068 15.327 -4.980 896 HA3 GLY 115 3HA GLY 115 -0.269 14.192 -5.026 897 H LYS 116 H LYS 116 -0.075 17.506 -3.752 898 HA LYS 116 HA LYS 116 -1.374 19.335 -4.093 899 HB2 LYS 116 2HB LYS 116 0.101 19.322 -6.068 900 HB3 LYS 116 3HB LYS 116 -1.102 18.400 -6.954 901 HG2 LYS 116 2HG LYS 116 -1.262 20.660 -7.630 902 HG3 LYS 116 3HG LYS 116 -2.675 20.286 -6.648 903 HD2 LYS 116 2HD LYS 116 -1.597 21.358 -4.718 904 HD3 LYS 116 3HD LYS 116 -0.211 21.760 -5.735 905 HE2 LYS 116 2HE LYS 116 -1.703 23.063 -7.202 906 HE3 LYS 116 3HE LYS 116 -3.051 22.699 -6.128 907 HZ1 LYS 116 3HZ LYS 116 -0.614 24.254 -5.439 908 HZ2 LYS 116 1HZ LYS 116 -1.835 23.838 -4.341 909 HZ3 LYS 116 2HZ LYS 116 -2.181 24.862 -5.640 910 H LEU 117 H LEU 117 -3.057 17.691 -3.062 911 HA LEU 117 HA LEU 117 -5.296 17.270 -4.884 912 HB2 LEU 117 2HB LEU 117 -6.335 16.113 -2.910 913 HB3 LEU 117 3HB LEU 117 -4.884 15.377 -3.556 914 HG LEU 117 HG LEU 117 -3.728 16.795 -1.636 915 HD11 LEU 117 1HD1 LEU 117 -5.778 17.894 -0.908 916 HD12 LEU 117 2HD1 LEU 117 -5.111 16.873 0.367 917 HD13 LEU 117 3HD1 LEU 117 -6.504 16.324 -0.562 918 HD21 LEU 117 3HD2 LEU 117 -5.205 14.205 -1.183 919 HD22 LEU 117 1HD2 LEU 117 -3.864 14.813 -0.217 920 HD23 LEU 117 2HD2 LEU 117 -3.606 14.378 -1.907 921 H GLU 118 H GLU 118 -4.184 19.793 -3.432 922 HA GLU 118 HA GLU 118 -4.989 21.857 -3.165 923 HB2 GLU 118 2HB GLU 118 -6.699 20.808 -4.914 924 HB3 GLU 118 3HB GLU 118 -7.818 21.118 -3.592 925 HG2 GLU 118 2HG GLU 118 -7.647 22.943 -5.250 926 HG3 GLU 118 3HG GLU 118 -7.302 23.436 -3.593 927 H HIS 119 H HIS 119 -5.936 19.314 -1.264 928 HA HIS 119 HA HIS 119 -6.934 19.125 0.800 929 HB2 HIS 119 2HB HIS 119 -5.538 20.378 2.498 930 HB3 HIS 119 3HB HIS 119 -4.667 19.346 1.373 931 HD1 HIS 119 HD1 HIS 119 -2.856 20.411 0.006 932 HD2 HIS 119 HD2 HIS 119 -5.252 23.199 1.960 933 HE1 HIS 119 HE1 HIS 119 -1.729 22.640 -0.334 934 HE2 HIS 119 HE2 HIS 119 -3.120 24.289 0.982 935 H HIS 120 H HIS 120 -8.940 20.286 -0.162 936 HA HIS 120 HA HIS 120 -9.424 22.870 1.053 937 HB2 HIS 120 2HB HIS 120 -10.833 21.164 -0.914 938 HB3 HIS 120 3HB HIS 120 -11.842 22.212 0.079 939 HD1 HIS 120 HD1 HIS 120 -8.477 22.871 -1.595 940 HD2 HIS 120 HD2 HIS 120 -12.344 24.388 -1.423 941 HE1 HIS 120 HE1 HIS 120 -8.443 24.963 -2.981 942 HE2 HIS 120 HE2 HIS 120 -10.726 25.981 -2.663 943 H HIS 121 H HIS 121 -9.456 22.676 3.184 944 HA HIS 121 HA HIS 121 -11.795 21.611 4.427 945 HB2 HIS 121 2HB HIS 121 -10.388 19.557 4.138 946 HB3 HIS 121 3HB HIS 121 -9.141 20.315 5.117 947 HD1 HIS 121 HD1 HIS 121 -12.780 19.252 5.460 948 HD2 HIS 121 HD2 HIS 121 -9.351 19.751 7.763 949 HE1 HIS 121 HE1 HIS 121 -13.381 18.430 7.762 950 HE2 HIS 121 HE2 HIS 121 -11.244 18.581 9.093 951 H HIS 122 H HIS 122 -9.919 24.071 4.155 952 HA HIS 122 HA HIS 122 -8.951 24.269 6.887 953 HB2 HIS 122 2HB HIS 122 -7.731 26.255 6.238 954 HB3 HIS 122 3HB HIS 122 -7.404 24.946 5.117 955 HD1 HIS 122 HD1 HIS 122 -7.074 25.879 2.877 956 HD2 HIS 122 HD2 HIS 122 -10.048 27.931 4.938 957 HE1 HIS 122 HE1 HIS 122 -7.897 27.656 1.296 958 HE2 HIS 122 HE2 HIS 122 -9.738 28.850 2.537 959 H HIS 123 H HIS 123 -9.919 25.221 8.442 960 HA HIS 123 HA HIS 123 -11.290 27.737 8.055 961 HB2 HIS 123 2HB HIS 123 -12.701 25.267 8.992 962 HB3 HIS 123 3HB HIS 123 -13.117 26.810 9.731 963 HD1 HIS 123 HD1 HIS 123 -14.712 24.830 7.579 964 HD2 HIS 123 HD2 HIS 123 -13.185 28.666 7.043 965 HE1 HIS 123 HE1 HIS 123 -16.006 25.815 5.656 966 HE2 HIS 123 HE2 HIS 123 -15.081 28.146 5.352 967 H HIS 124 H HIS 124 -10.170 25.171 10.151 968 HA HIS 124 HA HIS 124 -8.937 27.205 11.860 969 HB2 HIS 124 2HB HIS 124 -10.848 26.486 13.154 970 HB3 HIS 124 3HB HIS 124 -10.497 24.792 12.822 971 HD1 HIS 124 HD1 HIS 124 -9.076 23.598 14.483 972 HD2 HIS 124 HD2 HIS 124 -8.806 27.727 14.870 973 HE1 HIS 124 HE1 HIS 124 -7.679 23.997 16.532 974 HE2 HIS 124 HE2 HIS 124 -7.288 26.484 16.558 Start of MODEL 17 1 H1 MET 1 1H MET 1 -12.884 -27.078 -14.486 2 H2 MET 1 2H MET 1 -11.453 -27.959 -14.236 3 H3 MET 1 3H MET 1 -12.613 -27.850 -13.004 4 HA MET 1 HA MET 1 -14.156 -29.154 -14.168 5 HB2 MET 1 2HB MET 1 -13.664 -30.057 -16.406 6 HB3 MET 1 3HB MET 1 -13.753 -28.303 -16.412 7 HG2 MET 1 2HG MET 1 -11.315 -28.175 -16.401 8 HG3 MET 1 3HG MET 1 -11.223 -29.934 -16.394 9 HE1 MET 1 3HE MET 1 -12.808 -30.803 -19.887 10 HE2 MET 1 1HE MET 1 -13.673 -30.636 -18.359 11 HE3 MET 1 2HE MET 1 -12.112 -31.453 -18.403 12 H ASN 2 H ASN 2 -14.094 -31.471 -14.349 13 HA ASN 2 HA ASN 2 -13.370 -33.570 -13.908 14 HB2 ASN 2 2HB ASN 2 -11.401 -32.988 -15.362 15 HB3 ASN 2 3HB ASN 2 -10.534 -32.530 -13.901 16 HD21 ASN 2 1HD2 ASN 2 -12.789 -35.215 -14.230 17 HD22 ASN 2 2HD2 ASN 2 -11.610 -36.464 -13.970 18 H GLU 3 H GLU 3 -13.560 -34.579 -12.038 19 HA GLU 3 HA GLU 3 -13.589 -35.018 -9.812 20 HB2 GLU 3 2HB GLU 3 -11.225 -33.138 -9.801 21 HB3 GLU 3 3HB GLU 3 -11.824 -33.929 -8.349 22 HG2 GLU 3 2HG GLU 3 -10.843 -35.352 -10.814 23 HG3 GLU 3 3HG GLU 3 -9.905 -35.086 -9.344 24 H LEU 4 H LEU 4 -13.659 -33.676 -7.559 25 HA LEU 4 HA LEU 4 -15.640 -31.610 -7.991 26 HB2 LEU 4 2HB LEU 4 -14.528 -32.943 -5.541 27 HB3 LEU 4 3HB LEU 4 -15.476 -31.477 -5.403 28 HG LEU 4 HG LEU 4 -17.342 -32.664 -6.601 29 HD11 LEU 4 1HD1 LEU 4 -16.045 -34.412 -7.689 30 HD12 LEU 4 2HD1 LEU 4 -17.291 -35.107 -6.651 31 HD13 LEU 4 3HD1 LEU 4 -15.611 -35.082 -6.116 32 HD21 LEU 4 3HD2 LEU 4 -18.057 -33.917 -4.646 33 HD22 LEU 4 1HD2 LEU 4 -17.315 -32.388 -4.173 34 HD23 LEU 4 2HD2 LEU 4 -16.411 -33.893 -4.014 35 H ASP 5 H ASP 5 -14.075 -30.309 -9.185 36 HA ASP 5 HA ASP 5 -11.942 -29.063 -7.671 37 HB2 ASP 5 2HB ASP 5 -11.365 -27.995 -9.798 38 HB3 ASP 5 3HB ASP 5 -11.570 -29.730 -10.004 39 H ILE 6 H ILE 6 -14.485 -28.508 -6.635 40 HA ILE 6 HA ILE 6 -15.410 -25.956 -7.483 41 HB ILE 6 HB ILE 6 -16.550 -25.926 -5.199 42 HG12 ILE 6 2HG1 ILE 6 -15.488 -28.766 -5.150 43 HG13 ILE 6 3HG1 ILE 6 -14.997 -27.472 -4.062 44 HG21 ILE 6 1HG2 ILE 6 -18.212 -27.596 -5.896 45 HG22 ILE 6 2HG2 ILE 6 -17.071 -28.216 -7.091 46 HG23 ILE 6 3HG2 ILE 6 -17.695 -26.572 -7.236 47 HD11 ILE 6 3HD1 ILE 6 -17.254 -27.370 -3.155 48 HD12 ILE 6 1HD1 ILE 6 -16.573 -28.992 -3.006 49 HD13 ILE 6 2HD1 ILE 6 -17.763 -28.646 -4.262 50 H GLN 7 H GLN 7 -13.598 -24.673 -7.627 51 HA GLN 7 HA GLN 7 -11.889 -24.292 -5.333 52 HB2 GLN 7 2HB GLN 7 -10.661 -22.736 -6.846 53 HB3 GLN 7 3HB GLN 7 -10.829 -24.364 -7.485 54 HG2 GLN 7 2HG GLN 7 -12.741 -23.578 -8.847 55 HG3 GLN 7 3HG GLN 7 -12.424 -21.942 -8.279 56 HE21 GLN 7 1HE2 GLN 7 -12.391 -23.021 -10.968 57 HE22 GLN 7 2HE2 GLN 7 -10.801 -22.722 -11.593 58 H GLN 8 H GLN 8 -12.266 -22.920 -3.800 59 HA GLN 8 HA GLN 8 -12.900 -20.199 -4.334 60 HB2 GLN 8 2HB GLN 8 -14.922 -20.066 -2.919 61 HB3 GLN 8 3HB GLN 8 -15.190 -21.036 -4.359 62 HG2 GLN 8 2HG GLN 8 -15.261 -23.022 -3.164 63 HG3 GLN 8 3HG GLN 8 -14.441 -22.325 -1.767 64 HE21 GLN 8 1HE2 GLN 8 -17.457 -22.602 -3.480 65 HE22 GLN 8 2HE2 GLN 8 -18.465 -21.997 -2.210 66 H GLU 9 H GLU 9 -12.316 -18.893 -2.620 67 HA GLU 9 HA GLU 9 -11.554 -20.203 -0.113 68 HB2 GLU 9 2HB GLU 9 -9.577 -19.834 -1.732 69 HB3 GLU 9 3HB GLU 9 -9.791 -18.121 -1.401 70 HG2 GLU 9 2HG GLU 9 -8.027 -19.211 -0.043 71 HG3 GLU 9 3HG GLU 9 -9.290 -18.434 0.911 72 H TYR 10 H TYR 10 -13.838 -18.788 -0.827 73 HA TYR 10 HA TYR 10 -15.279 -17.296 0.051 74 HB2 TYR 10 2HB TYR 10 -12.938 -16.569 1.817 75 HB3 TYR 10 3HB TYR 10 -14.518 -15.798 1.943 76 HD1 TYR 10 HD1 TYR 10 -16.514 -17.192 2.544 77 HD2 TYR 10 HD2 TYR 10 -12.550 -18.719 2.750 78 HE1 TYR 10 HE1 TYR 10 -17.306 -19.034 3.961 79 HE2 TYR 10 HE2 TYR 10 -13.334 -20.567 4.172 80 HH TYR 10 HH TYR 10 -16.591 -21.355 4.535 81 HA PRO 11 HA PRO 11 -15.127 -13.828 -2.529 82 HB2 PRO 11 2HB PRO 11 -16.105 -12.108 -0.317 83 HB3 PRO 11 3HB PRO 11 -16.808 -12.409 -1.911 84 HG2 PRO 11 2HG PRO 11 -17.876 -13.503 0.260 85 HG3 PRO 11 3HG PRO 11 -17.759 -14.423 -1.252 86 HD2 PRO 11 2HD PRO 11 -16.052 -14.583 1.201 87 HD3 PRO 11 3HD PRO 11 -16.669 -15.892 0.172 88 H PHE 12 H PHE 12 -14.256 -11.674 -2.929 89 HA PHE 12 HA PHE 12 -12.089 -10.860 -1.142 90 HB2 PHE 12 2HB PHE 12 -11.025 -12.488 -2.512 91 HB3 PHE 12 3HB PHE 12 -11.782 -11.862 -3.967 92 HD1 PHE 12 HD2 PHE 12 -9.167 -11.260 -1.449 93 HD2 PHE 12 HD1 PHE 12 -10.825 -10.053 -5.176 94 HE1 PHE 12 HE2 PHE 12 -7.162 -9.905 -1.903 95 HE2 PHE 12 HE1 PHE 12 -8.826 -8.699 -5.635 96 HZ PHE 12 HZ PHE 12 -6.990 -8.622 -3.999 97 H THR 13 H THR 13 -12.460 -8.771 -0.848 98 HA THR 13 HA THR 13 -12.709 -7.055 -3.214 99 HB THR 13 HB THR 13 -14.364 -6.622 -0.714 100 HG1 THR 13 HG1 THR 13 -14.844 -8.172 -2.977 101 HG21 THR 13 3HG2 THR 13 -15.566 -5.012 -2.125 102 HG22 THR 13 1HG2 THR 13 -14.473 -5.369 -3.463 103 HG23 THR 13 2HG2 THR 13 -13.854 -4.604 -1.999 104 H VAL 14 H VAL 14 -11.278 -5.367 -3.095 105 HA VAL 14 HA VAL 14 -9.801 -5.130 -0.578 106 HB VAL 14 HB VAL 14 -9.073 -3.853 -3.214 107 HG11 VAL 14 1HG1 VAL 14 -7.484 -4.432 -0.719 108 HG12 VAL 14 2HG1 VAL 14 -8.018 -2.848 -1.280 109 HG13 VAL 14 3HG1 VAL 14 -6.829 -3.760 -2.210 110 HG21 VAL 14 3HG2 VAL 14 -9.179 -6.262 -3.523 111 HG22 VAL 14 1HG2 VAL 14 -8.169 -6.507 -2.098 112 HG23 VAL 14 2HG2 VAL 14 -7.505 -5.714 -3.526 113 H GLU 15 H GLU 15 -10.416 -3.616 0.785 114 HA GLU 15 HA GLU 15 -11.243 -1.003 -0.284 115 HB2 GLU 15 2HB GLU 15 -12.544 -2.516 1.993 116 HB3 GLU 15 3HB GLU 15 -12.874 -0.833 1.600 117 HG2 GLU 15 2HG GLU 15 -13.699 -1.512 -0.599 118 HG3 GLU 15 3HG GLU 15 -13.385 -3.199 -0.190 119 H SER 16 H SER 16 -10.070 0.602 0.537 120 HA SER 16 HA SER 16 -8.352 0.014 2.844 121 HB2 SER 16 2HB SER 16 -8.047 2.274 0.859 122 HB3 SER 16 3HB SER 16 -6.830 1.636 1.969 123 HG SER 16 HG SER 16 -6.493 0.836 -0.126 124 H MET 17 H MET 17 -8.240 1.414 4.582 125 HA MET 17 HA MET 17 -10.560 3.065 5.026 126 HB2 MET 17 2HB MET 17 -8.086 2.604 6.710 127 HB3 MET 17 3HB MET 17 -9.489 3.528 7.229 128 HG2 MET 17 2HG MET 17 -10.877 1.509 6.971 129 HG3 MET 17 3HG MET 17 -9.431 0.597 6.540 130 HE1 MET 17 3HE MET 17 -9.989 -1.167 8.453 131 HE2 MET 17 1HE MET 17 -11.428 -0.248 8.890 132 HE3 MET 17 2HE MET 17 -10.275 -0.724 10.137 133 HA PRO 18 HA PRO 18 -9.139 6.837 3.328 134 HB2 PRO 18 2HB PRO 18 -10.307 8.139 5.732 135 HB3 PRO 18 3HB PRO 18 -10.632 8.434 4.021 136 HG2 PRO 18 2HG PRO 18 -12.386 7.115 5.531 137 HG3 PRO 18 3HG PRO 18 -12.086 6.634 3.850 138 HD2 PRO 18 2HD PRO 18 -11.127 5.375 6.385 139 HD3 PRO 18 3HD PRO 18 -11.652 4.609 4.872 140 H VAL 19 H VAL 19 -6.981 7.063 3.422 141 HA VAL 19 HA VAL 19 -5.699 7.651 5.986 142 HB VAL 19 HB VAL 19 -3.568 7.392 4.785 143 HG11 VAL 19 1HG1 VAL 19 -4.551 5.432 5.804 144 HG12 VAL 19 2HG1 VAL 19 -3.755 4.984 4.294 145 HG13 VAL 19 3HG1 VAL 19 -5.511 5.129 4.355 146 HG21 VAL 19 3HG2 VAL 19 -4.263 8.198 2.591 147 HG22 VAL 19 1HG2 VAL 19 -5.289 6.778 2.383 148 HG23 VAL 19 2HG2 VAL 19 -3.536 6.596 2.468 149 H ALA 20 H ALA 20 -3.949 9.363 5.910 150 HA ALA 20 HA ALA 20 -5.101 11.775 4.746 151 HB1 ALA 20 3HB ALA 20 -2.803 11.432 6.668 152 HB2 ALA 20 1HB ALA 20 -4.466 11.832 7.096 153 HB3 ALA 20 2HB ALA 20 -3.497 12.972 6.160 154 H ASP 21 H ASP 21 -4.497 12.365 2.789 155 HA ASP 21 HA ASP 21 -2.041 11.437 1.598 156 HB2 ASP 21 2HB ASP 21 -2.784 12.647 -0.394 157 HB3 ASP 21 3HB ASP 21 -4.097 11.672 0.254 158 H GLU 22 H GLU 22 -2.755 13.844 3.698 159 HA GLU 22 HA GLU 22 -1.012 15.884 2.609 160 HB2 GLU 22 2HB GLU 22 -1.594 17.021 4.837 161 HB3 GLU 22 3HB GLU 22 -2.888 16.800 3.665 162 HG2 GLU 22 2HG GLU 22 -3.778 14.953 4.873 163 HG3 GLU 22 3HG GLU 22 -2.376 14.902 5.937 164 H ILE 23 H ILE 23 1.065 15.270 2.668 165 HA ILE 23 HA ILE 23 2.201 14.693 5.326 166 HB ILE 23 HB ILE 23 3.092 13.445 2.716 167 HG12 ILE 23 2HG1 ILE 23 1.835 12.182 5.163 168 HG13 ILE 23 3HG1 ILE 23 1.024 12.453 3.621 169 HG21 ILE 23 1HG2 ILE 23 4.690 12.193 4.094 170 HG22 ILE 23 2HG2 ILE 23 4.180 13.115 5.510 171 HG23 ILE 23 3HG2 ILE 23 4.980 13.933 4.166 172 HD11 ILE 23 3HD1 ILE 23 2.591 10.928 2.535 173 HD12 ILE 23 1HD1 ILE 23 1.723 10.144 3.854 174 HD13 ILE 23 2HD1 ILE 23 3.395 10.655 4.081 175 H ALA 24 H ALA 24 3.409 16.370 5.876 176 HA ALA 24 HA ALA 24 4.282 18.403 4.161 177 HB1 ALA 24 3HB ALA 24 5.337 17.586 6.865 178 HB2 ALA 24 1HB ALA 24 4.044 18.743 6.546 179 HB3 ALA 24 2HB ALA 24 5.698 19.113 6.055 180 H GLY 25 H GLY 25 6.060 15.669 5.536 181 HA2 GLY 25 2HA GLY 25 7.568 14.826 3.513 182 HA3 GLY 25 3HA GLY 25 8.409 16.311 3.941 183 H ASP 26 H ASP 26 9.063 13.360 4.129 184 HA ASP 26 HA ASP 26 10.345 12.025 5.434 185 HB2 ASP 26 2HB ASP 26 11.567 14.186 5.804 186 HB3 ASP 26 3HB ASP 26 10.627 14.410 7.270 187 H GLU 27 H GLU 27 7.382 12.877 6.156 188 HA GLU 27 HA GLU 27 7.262 12.042 8.934 189 HB2 GLU 27 2HB GLU 27 5.952 13.977 8.221 190 HB3 GLU 27 3HB GLU 27 5.105 12.998 7.035 191 HG2 GLU 27 2HG GLU 27 3.988 11.769 8.734 192 HG3 GLU 27 3HG GLU 27 5.006 12.471 9.992 193 H THR 28 H THR 28 6.082 10.275 9.677 194 HA THR 28 HA THR 28 5.680 8.147 7.696 195 HB THR 28 HB THR 28 6.018 7.911 10.695 196 HG1 THR 28 HG1 THR 28 8.036 8.313 10.070 197 HG21 THR 28 3HG2 THR 28 5.939 5.806 8.530 198 HG22 THR 28 1HG2 THR 28 4.725 6.068 9.784 199 HG23 THR 28 2HG2 THR 28 6.341 5.512 10.222 200 H VAL 29 H VAL 29 3.632 7.726 7.157 201 HA VAL 29 HA VAL 29 1.514 8.343 9.117 202 HB VAL 29 HB VAL 29 -0.051 8.434 7.218 203 HG11 VAL 29 1HG1 VAL 29 2.326 10.274 6.982 204 HG12 VAL 29 2HG1 VAL 29 0.930 10.488 8.037 205 HG13 VAL 29 3HG1 VAL 29 0.734 10.571 6.287 206 HG21 VAL 29 3HG2 VAL 29 0.806 8.534 4.918 207 HG22 VAL 29 1HG2 VAL 29 1.100 6.962 5.662 208 HG23 VAL 29 2HG2 VAL 29 2.417 8.126 5.507 209 H GLU 30 H GLU 30 -0.354 6.914 9.142 210 HA GLU 30 HA GLU 30 0.460 4.120 8.775 211 HB2 GLU 30 2HB GLU 30 -1.717 5.379 10.451 212 HB3 GLU 30 3HB GLU 30 -1.507 3.643 10.272 213 HG2 GLU 30 2HG GLU 30 0.673 3.768 11.305 214 HG3 GLU 30 3HG GLU 30 0.555 5.524 11.394 215 H ILE 31 H ILE 31 -0.378 2.952 7.204 216 HA ILE 31 HA ILE 31 -2.862 3.874 5.913 217 HB ILE 31 HB ILE 31 -0.717 2.058 4.787 218 HG12 ILE 31 2HG1 ILE 31 -1.373 4.933 4.097 219 HG13 ILE 31 3HG1 ILE 31 0.013 4.414 5.046 220 HG21 ILE 31 1HG2 ILE 31 -1.914 2.313 2.663 221 HG22 ILE 31 2HG2 ILE 31 -3.158 3.259 3.482 222 HG23 ILE 31 3HG2 ILE 31 -2.928 1.558 3.893 223 HD11 ILE 31 3HD1 ILE 31 0.883 3.196 3.125 224 HD12 ILE 31 1HD1 ILE 31 0.636 4.904 2.753 225 HD13 ILE 31 2HD1 ILE 31 -0.515 3.698 2.174 226 H ARG 32 H ARG 32 -4.599 2.744 6.484 227 HA ARG 32 HA ARG 32 -4.249 0.003 7.446 228 HB2 ARG 32 2HB ARG 32 -6.613 1.876 7.633 229 HB3 ARG 32 3HB ARG 32 -6.600 0.228 8.243 230 HG2 ARG 32 2HG ARG 32 -4.683 0.872 9.712 231 HG3 ARG 32 3HG ARG 32 -4.937 2.539 9.193 232 HD2 ARG 32 2HD ARG 32 -7.186 2.513 10.081 233 HD3 ARG 32 3HD ARG 32 -7.016 0.811 10.520 234 HE ARG 32 HE ARG 32 -5.256 2.852 11.713 235 HH11 ARG 32 1HH1 ARG 32 -7.670 0.329 12.041 236 HH12 ARG 32 2HH1 ARG 32 -7.508 0.219 13.765 237 HH21 ARG 32 1HH2 ARG 32 -5.047 2.727 13.978 238 HH22 ARG 32 2HH2 ARG 32 -6.027 1.598 14.871 239 H LEU 33 H LEU 33 -4.436 -1.535 5.988 240 HA LEU 33 HA LEU 33 -6.261 -1.099 3.714 241 HB2 LEU 33 2HB LEU 33 -3.929 -1.217 3.049 242 HB3 LEU 33 3HB LEU 33 -3.729 -2.734 3.900 243 HG LEU 33 HG LEU 33 -5.236 -3.838 2.314 244 HD11 LEU 33 1HD1 LEU 33 -6.666 -1.944 1.778 245 HD12 LEU 33 2HD1 LEU 33 -5.997 -2.666 0.316 246 HD13 LEU 33 3HD1 LEU 33 -5.324 -1.160 0.943 247 HD21 LEU 33 3HD2 LEU 33 -2.853 -3.809 1.836 248 HD22 LEU 33 1HD2 LEU 33 -3.027 -2.267 0.998 249 HD23 LEU 33 2HD2 LEU 33 -3.787 -3.717 0.342 250 H GLU 34 H GLU 34 -7.906 -2.470 3.448 251 HA GLU 34 HA GLU 34 -7.862 -4.977 4.986 252 HB2 GLU 34 2HB GLU 34 -10.207 -3.227 4.251 253 HB3 GLU 34 3HB GLU 34 -10.373 -4.854 4.888 254 HG2 GLU 34 2HG GLU 34 -9.106 -4.079 6.907 255 HG3 GLU 34 3HG GLU 34 -9.253 -2.439 6.267 256 H ILE 35 H ILE 35 -7.498 -6.636 3.649 257 HA ILE 35 HA ILE 35 -8.827 -6.709 1.066 258 HB ILE 35 HB ILE 35 -7.128 -8.766 2.508 259 HG12 ILE 35 2HG1 ILE 35 -5.695 -8.416 0.413 260 HG13 ILE 35 3HG1 ILE 35 -6.689 -7.000 0.096 261 HG21 ILE 35 1HG2 ILE 35 -8.852 -9.933 1.259 262 HG22 ILE 35 2HG2 ILE 35 -7.282 -10.137 0.481 263 HG23 ILE 35 3HG2 ILE 35 -8.456 -9.005 -0.189 264 HD11 ILE 35 3HD1 ILE 35 -5.983 -6.030 2.217 265 HD12 ILE 35 1HD1 ILE 35 -4.609 -6.395 1.174 266 HD13 ILE 35 2HD1 ILE 35 -4.985 -7.450 2.535 267 H LYS 36 H LYS 36 -10.926 -6.537 1.600 268 HA LYS 36 HA LYS 36 -12.051 -7.967 3.850 269 HB2 LYS 36 2HB LYS 36 -12.528 -5.537 2.550 270 HB3 LYS 36 3HB LYS 36 -13.928 -6.524 2.166 271 HG2 LYS 36 2HG LYS 36 -14.364 -6.863 4.532 272 HG3 LYS 36 3HG LYS 36 -12.924 -5.926 4.945 273 HD2 LYS 36 2HD LYS 36 -13.888 -3.967 3.826 274 HD3 LYS 36 3HD LYS 36 -15.330 -4.902 3.436 275 HE2 LYS 36 2HE LYS 36 -15.766 -3.523 5.361 276 HE3 LYS 36 3HE LYS 36 -15.743 -5.217 5.847 277 HZ1 LYS 36 3HZ LYS 36 -14.559 -3.731 7.393 278 HZ2 LYS 36 1HZ LYS 36 -13.451 -3.348 6.170 279 HZ3 LYS 36 2HZ LYS 36 -13.560 -4.935 6.752 280 HA PRO 37 HA PRO 37 -13.511 -11.173 1.009 281 HB2 PRO 37 2HB PRO 37 -14.409 -12.852 2.937 282 HB3 PRO 37 3HB PRO 37 -12.709 -12.758 2.477 283 HG2 PRO 37 2HG PRO 37 -14.102 -11.531 4.818 284 HG3 PRO 37 3HG PRO 37 -12.505 -12.296 4.739 285 HD2 PRO 37 2HD PRO 37 -12.877 -9.592 4.728 286 HD3 PRO 37 3HD PRO 37 -11.496 -10.389 3.952 287 H SER 38 H SER 38 -15.162 -9.812 0.219 288 HA SER 38 HA SER 38 -17.620 -9.699 1.839 289 HB2 SER 38 2HB SER 38 -16.434 -7.520 1.581 290 HB3 SER 38 3HB SER 38 -16.656 -7.644 -0.162 291 HG SER 38 HG SER 38 -18.261 -6.366 1.004 292 H GLY 39 H GLY 39 -16.781 -9.054 -1.578 293 HA2 GLY 39 2HA GLY 39 -18.790 -11.074 -2.332 294 HA3 GLY 39 3HA GLY 39 -18.841 -9.467 -3.046 295 H ASN 40 H ASN 40 -18.560 -11.897 -4.484 296 HA ASN 40 HA ASN 40 -17.419 -12.754 -6.246 297 HB2 ASN 40 2HB ASN 40 -17.206 -10.418 -6.964 298 HB3 ASN 40 3HB ASN 40 -15.747 -10.238 -5.996 299 HD21 ASN 40 1HD2 ASN 40 -16.505 -13.117 -7.858 300 HD22 ASN 40 2HD2 ASN 40 -15.231 -12.912 -9.013 301 H PHE 41 H PHE 41 -16.433 -14.595 -5.688 302 HA PHE 41 HA PHE 41 -14.123 -14.503 -3.913 303 HB2 PHE 41 2HB PHE 41 -14.385 -16.923 -3.717 304 HB3 PHE 41 3HB PHE 41 -15.909 -16.108 -3.397 305 HD1 PHE 41 HD1 PHE 41 -17.760 -16.256 -5.009 306 HD2 PHE 41 HD2 PHE 41 -14.120 -18.389 -5.588 307 HE1 PHE 41 HE1 PHE 41 -18.869 -17.696 -6.667 308 HE2 PHE 41 HE2 PHE 41 -15.224 -19.826 -7.250 309 HZ PHE 41 HZ PHE 41 -17.604 -19.481 -7.791 310 H ILE 42 H ILE 42 -12.100 -15.118 -4.444 311 HA ILE 42 HA ILE 42 -11.618 -16.029 -7.202 312 HB ILE 42 HB ILE 42 -9.821 -14.199 -5.590 313 HG12 ILE 42 2HG1 ILE 42 -11.474 -13.639 -8.063 314 HG13 ILE 42 3HG1 ILE 42 -11.844 -13.064 -6.441 315 HG21 ILE 42 1HG2 ILE 42 -8.537 -15.690 -7.010 316 HG22 ILE 42 2HG2 ILE 42 -8.503 -14.057 -7.672 317 HG23 ILE 42 3HG2 ILE 42 -9.547 -15.279 -8.396 318 HD11 ILE 42 3HD1 ILE 42 -10.826 -11.329 -7.813 319 HD12 ILE 42 1HD1 ILE 42 -9.404 -12.345 -8.045 320 HD13 ILE 42 2HD1 ILE 42 -9.805 -11.744 -6.436 321 H GLY 43 H GLY 43 -9.502 -15.605 -4.368 322 HA2 GLY 43 2HA GLY 43 -8.719 -17.244 -2.902 323 HA3 GLY 43 3HA GLY 43 -9.493 -18.471 -3.890 324 H THR 44 H THR 44 -7.880 -19.855 -4.212 325 HA THR 44 HA THR 44 -5.986 -20.781 -5.020 326 HB THR 44 HB THR 44 -5.471 -18.215 -6.533 327 HG1 THR 44 HG1 THR 44 -7.584 -18.991 -6.975 328 HG21 THR 44 3HG2 THR 44 -3.615 -19.805 -6.530 329 HG22 THR 44 1HG2 THR 44 -4.357 -19.724 -8.130 330 HG23 THR 44 2HG2 THR 44 -4.699 -21.089 -7.066 331 H VAL 45 H VAL 45 -4.529 -17.603 -5.270 332 HA VAL 45 HA VAL 45 -3.179 -17.844 -2.698 333 HB VAL 45 HB VAL 45 -1.559 -17.494 -5.242 334 HG11 VAL 45 1HG1 VAL 45 -0.587 -16.442 -3.270 335 HG12 VAL 45 2HG1 VAL 45 0.380 -17.826 -3.778 336 HG13 VAL 45 3HG1 VAL 45 -0.694 -17.963 -2.386 337 HG21 VAL 45 3HG2 VAL 45 -0.671 -19.732 -4.916 338 HG22 VAL 45 1HG2 VAL 45 -2.417 -19.781 -5.162 339 HG23 VAL 45 2HG2 VAL 45 -1.747 -19.976 -3.541 340 H TYR 46 H TYR 46 -1.999 -15.725 -2.245 341 HA TYR 46 HA TYR 46 -2.756 -13.564 -4.060 342 HB2 TYR 46 2HB TYR 46 -3.265 -13.558 -1.078 343 HB3 TYR 46 3HB TYR 46 -3.301 -12.108 -2.079 344 HD1 TYR 46 HD1 TYR 46 -4.774 -12.718 -4.415 345 HD2 TYR 46 HD2 TYR 46 -5.375 -14.229 -0.477 346 HE1 TYR 46 HE1 TYR 46 -7.145 -13.132 -4.935 347 HE2 TYR 46 HE2 TYR 46 -7.738 -14.659 -0.995 348 HH TYR 46 HH TYR 46 -9.459 -13.810 -2.568 349 H THR 47 H THR 47 -0.921 -12.772 -4.727 350 HA THR 47 HA THR 47 1.253 -12.352 -2.778 351 HB THR 47 HB THR 47 2.698 -12.174 -4.900 352 HG1 THR 47 HG1 THR 47 0.326 -12.578 -6.039 353 HG21 THR 47 3HG2 THR 47 1.488 -14.841 -4.173 354 HG22 THR 47 1HG2 THR 47 2.836 -14.056 -3.348 355 HG23 THR 47 2HG2 THR 47 3.019 -14.596 -5.018 356 H LEU 48 H LEU 48 2.148 -10.325 -2.588 357 HA LEU 48 HA LEU 48 0.775 -8.211 -4.103 358 HB2 LEU 48 2HB LEU 48 0.482 -8.109 -1.673 359 HB3 LEU 48 3HB LEU 48 2.222 -8.053 -1.457 360 HG LEU 48 HG LEU 48 2.289 -5.879 -2.626 361 HD11 LEU 48 1HD1 LEU 48 0.187 -4.685 -3.062 362 HD12 LEU 48 2HD1 LEU 48 -0.716 -6.141 -2.644 363 HD13 LEU 48 3HD1 LEU 48 0.342 -6.135 -4.056 364 HD21 LEU 48 3HD2 LEU 48 1.237 -4.566 -0.850 365 HD22 LEU 48 1HD2 LEU 48 2.124 -5.944 -0.200 366 HD23 LEU 48 2HD2 LEU 48 0.365 -6.001 -0.308 367 H ARG 49 H ARG 49 1.895 -7.470 -5.734 368 HA ARG 49 HA ARG 49 4.801 -7.107 -5.430 369 HB2 ARG 49 2HB ARG 49 4.393 -8.604 -7.248 370 HB3 ARG 49 3HB ARG 49 3.106 -7.592 -7.879 371 HG2 ARG 49 2HG ARG 49 4.641 -5.965 -8.649 372 HG3 ARG 49 3HG ARG 49 5.975 -6.709 -7.767 373 HD2 ARG 49 2HD ARG 49 5.909 -7.150 -10.256 374 HD3 ARG 49 3HD ARG 49 6.027 -8.572 -9.222 375 HE ARG 49 HE ARG 49 3.902 -9.217 -9.873 376 HH11 ARG 49 1HH1 ARG 49 4.667 -6.050 -11.173 377 HH12 ARG 49 2HH1 ARG 49 3.301 -6.029 -12.254 378 HH21 ARG 49 1HH2 ARG 49 2.124 -9.209 -11.328 379 HH22 ARG 49 2HH2 ARG 49 1.882 -7.818 -12.352 380 H TYR 50 H TYR 50 5.377 -5.064 -5.120 381 HA TYR 50 HA TYR 50 3.535 -2.937 -5.994 382 HB2 TYR 50 2HB TYR 50 4.187 -1.793 -3.796 383 HB3 TYR 50 3HB TYR 50 3.102 -3.174 -3.675 384 HD1 TYR 50 HD2 TYR 50 3.977 -5.365 -2.884 385 HD2 TYR 50 HD1 TYR 50 6.361 -1.841 -2.805 386 HE1 TYR 50 HE2 TYR 50 5.548 -6.471 -1.355 387 HE2 TYR 50 HE1 TYR 50 7.933 -2.941 -1.275 388 HH TYR 50 HH TYR 50 7.897 -6.285 -0.707 389 H PHE 51 H PHE 51 4.456 -1.069 -6.755 390 HA PHE 51 HA PHE 51 7.398 -0.953 -6.715 391 HB2 PHE 51 2HB PHE 51 6.410 -1.712 -8.927 392 HB3 PHE 51 3HB PHE 51 5.703 -0.107 -9.067 393 HD1 PHE 51 HD1 PHE 51 8.932 -1.894 -8.706 394 HD2 PHE 51 HD2 PHE 51 6.953 1.666 -9.939 395 HE1 PHE 51 HE1 PHE 51 11.032 -1.075 -9.700 396 HE2 PHE 51 HE2 PHE 51 9.045 2.493 -10.926 397 HZ PHE 51 HZ PHE 51 11.090 1.124 -10.809 398 H GLN 52 H GLN 52 8.312 1.124 -6.702 399 HA GLN 52 HA GLN 52 6.447 3.294 -6.013 400 HB2 GLN 52 2HB GLN 52 9.340 2.956 -5.182 401 HB3 GLN 52 3HB GLN 52 8.302 4.305 -4.744 402 HG2 GLN 52 2HG GLN 52 6.837 2.794 -3.518 403 HG3 GLN 52 3HG GLN 52 7.855 1.431 -3.973 404 HE21 GLN 52 1HE2 GLN 52 7.153 2.445 -1.336 405 HE22 GLN 52 2HE2 GLN 52 8.651 2.797 -0.544 406 HA PRO 53 HA PRO 53 8.354 4.383 -10.014 407 HB2 PRO 53 2HB PRO 53 6.173 5.431 -11.178 408 HB3 PRO 53 3HB PRO 53 6.416 3.687 -11.035 409 HG2 PRO 53 2HG PRO 53 4.697 5.503 -9.405 410 HG3 PRO 53 3HG PRO 53 4.363 3.858 -9.977 411 HD2 PRO 53 2HD PRO 53 5.210 4.499 -7.424 412 HD3 PRO 53 3HD PRO 53 5.410 2.908 -8.184 413 H ASP 54 H ASP 54 6.134 6.572 -8.263 414 HA ASP 54 HA ASP 54 7.822 8.806 -9.181 415 HB2 ASP 54 2HB ASP 54 5.485 8.729 -10.118 416 HB3 ASP 54 3HB ASP 54 4.888 8.966 -8.481 417 H GLY 55 H GLY 55 5.950 7.467 -6.524 418 HA2 GLY 55 2HA GLY 55 7.299 9.364 -4.713 419 HA3 GLY 55 3HA GLY 55 5.780 8.550 -4.356 420 H LYS 56 H LYS 56 8.430 8.600 -2.937 421 HA LYS 56 HA LYS 56 8.810 5.687 -2.855 422 HB2 LYS 56 2HB LYS 56 11.046 7.711 -2.695 423 HB3 LYS 56 3HB LYS 56 11.210 5.963 -2.622 424 HG2 LYS 56 2HG LYS 56 10.370 5.816 -4.934 425 HG3 LYS 56 3HG LYS 56 10.301 7.577 -4.995 426 HD2 LYS 56 2HD LYS 56 12.763 5.879 -4.597 427 HD3 LYS 56 3HD LYS 56 12.339 6.800 -6.041 428 HE2 LYS 56 2HE LYS 56 12.543 8.878 -4.824 429 HE3 LYS 56 3HE LYS 56 12.844 8.004 -3.324 430 HZ1 LYS 56 3HZ LYS 56 14.863 7.078 -4.395 431 HZ2 LYS 56 1HZ LYS 56 14.912 8.763 -4.185 432 HZ3 LYS 56 2HZ LYS 56 14.593 8.109 -5.715 433 H GLY 57 H GLY 57 9.320 4.815 -0.854 434 HA2 GLY 57 2HA GLY 57 9.930 6.380 1.427 435 HA3 GLY 57 3HA GLY 57 8.211 6.018 1.382 436 H SER 58 H SER 58 9.409 5.080 3.491 437 HA SER 58 HA SER 58 10.182 2.305 2.937 438 HB2 SER 58 2HB SER 58 10.262 3.831 5.555 439 HB3 SER 58 3HB SER 58 10.975 2.250 5.237 440 HG SER 58 HG SER 58 11.915 3.898 3.405 441 H LEU 59 H LEU 59 8.452 1.047 2.731 442 HA LEU 59 HA LEU 59 6.096 1.517 4.387 443 HB2 LEU 59 2HB LEU 59 6.073 1.067 1.842 444 HB3 LEU 59 3HB LEU 59 6.396 -0.602 2.266 445 HG LEU 59 HG LEU 59 4.289 -0.640 3.589 446 HD11 LEU 59 1HD1 LEU 59 2.682 1.153 3.344 447 HD12 LEU 59 2HD1 LEU 59 3.817 2.073 2.356 448 HD13 LEU 59 3HD1 LEU 59 4.169 1.771 4.059 449 HD21 LEU 59 3HD2 LEU 59 4.339 -1.435 1.272 450 HD22 LEU 59 1HD2 LEU 59 3.964 0.192 0.706 451 HD23 LEU 59 2HD2 LEU 59 2.787 -0.701 1.669 452 H LYS 60 H LYS 60 5.965 0.491 6.277 453 HA LYS 60 HA LYS 60 7.393 -2.078 6.566 454 HB2 LYS 60 2HB LYS 60 6.939 0.047 8.670 455 HB3 LYS 60 3HB LYS 60 7.765 -1.485 8.923 456 HG2 LYS 60 2HG LYS 60 9.551 -0.832 7.467 457 HG3 LYS 60 3HG LYS 60 8.690 0.636 6.997 458 HD2 LYS 60 2HD LYS 60 8.817 1.430 9.321 459 HD3 LYS 60 3HD LYS 60 9.709 -0.028 9.761 460 HE2 LYS 60 2HE LYS 60 11.511 0.595 8.261 461 HE3 LYS 60 3HE LYS 60 10.610 2.014 7.731 462 HZ1 LYS 60 3HZ LYS 60 11.515 1.538 10.521 463 HZ2 LYS 60 1HZ LYS 60 10.764 2.939 9.931 464 HZ3 LYS 60 2HZ LYS 60 12.324 2.522 9.403 465 H MET 61 H MET 61 6.424 -3.684 7.868 466 HA MET 61 HA MET 61 3.514 -3.366 8.149 467 HB2 MET 61 2HB MET 61 5.203 -5.877 8.097 468 HB3 MET 61 3HB MET 61 3.451 -5.835 8.237 469 HG2 MET 61 2HG MET 61 3.308 -4.789 6.027 470 HG3 MET 61 3HG MET 61 5.064 -4.862 5.888 471 HE1 MET 61 3HE MET 61 5.691 -8.742 5.846 472 HE2 MET 61 1HE MET 61 5.657 -7.701 7.269 473 HE3 MET 61 2HE MET 61 6.440 -7.147 5.789 474 H GLU 62 H GLU 62 2.619 -4.807 10.010 475 HA GLU 62 HA GLU 62 3.531 -3.777 12.463 476 HB2 GLU 62 2HB GLU 62 1.626 -5.997 11.762 477 HB3 GLU 62 3HB GLU 62 1.983 -5.577 13.433 478 HG2 GLU 62 2HG GLU 62 0.982 -3.578 11.428 479 HG3 GLU 62 3HG GLU 62 -0.094 -4.558 12.425 480 H ASP 63 H ASP 63 4.260 -6.747 10.772 481 HA ASP 63 HA ASP 63 5.677 -7.842 13.071 482 HB2 ASP 63 2HB ASP 63 4.245 -9.271 11.568 483 HB3 ASP 63 3HB ASP 63 5.425 -9.008 10.290 484 H GLY 64 H GLY 64 6.409 -5.458 11.181 485 HA2 GLY 64 2HA GLY 64 8.546 -4.492 10.976 486 HA3 GLY 64 3HA GLY 64 9.261 -6.090 11.152 487 H THR 65 H THR 65 10.539 -6.050 9.364 488 HA THR 65 HA THR 65 11.119 -6.401 7.209 489 HB THR 65 HB THR 65 8.178 -6.899 6.715 490 HG1 THR 65 HG1 THR 65 10.056 -8.304 8.081 491 HG21 THR 65 3HG2 THR 65 8.965 -8.222 4.804 492 HG22 THR 65 1HG2 THR 65 10.627 -7.762 5.163 493 HG23 THR 65 2HG2 THR 65 9.465 -6.537 4.657 494 H VAL 66 H VAL 66 11.866 -4.507 6.448 495 HA VAL 66 HA VAL 66 10.129 -2.367 5.641 496 HB VAL 66 HB VAL 66 13.040 -2.793 4.934 497 HG11 VAL 66 1HG1 VAL 66 13.059 -0.372 4.547 498 HG12 VAL 66 2HG1 VAL 66 11.330 -0.309 4.885 499 HG13 VAL 66 3HG1 VAL 66 11.921 -1.195 3.480 500 HG21 VAL 66 3HG2 VAL 66 13.525 -1.250 6.796 501 HG22 VAL 66 1HG2 VAL 66 12.775 -2.749 7.346 502 HG23 VAL 66 2HG2 VAL 66 11.817 -1.272 7.237 503 H LEU 67 H LEU 67 8.847 -2.610 3.951 504 HA LEU 67 HA LEU 67 9.154 -4.640 2.034 505 HB2 LEU 67 2HB LEU 67 7.414 -2.175 1.981 506 HB3 LEU 67 3HB LEU 67 7.270 -3.526 0.869 507 HG LEU 67 HG LEU 67 6.779 -3.582 3.849 508 HD11 LEU 67 1HD1 LEU 67 4.943 -3.962 1.492 509 HD12 LEU 67 2HD1 LEU 67 4.978 -2.575 2.583 510 HD13 LEU 67 3HD1 LEU 67 4.496 -4.159 3.188 511 HD21 LEU 67 3HD2 LEU 67 6.687 -5.831 1.842 512 HD22 LEU 67 1HD2 LEU 67 6.129 -5.928 3.512 513 HD23 LEU 67 2HD2 LEU 67 7.837 -5.656 3.167 514 H LYS 68 H LYS 68 9.431 -4.429 -0.259 515 HA LYS 68 HA LYS 68 11.364 -2.316 -0.940 516 HB2 LYS 68 2HB LYS 68 12.437 -4.438 -0.081 517 HB3 LYS 68 3HB LYS 68 11.762 -5.265 -1.474 518 HG2 LYS 68 2HG LYS 68 13.093 -3.935 -2.970 519 HG3 LYS 68 3HG LYS 68 13.683 -2.952 -1.626 520 HD2 LYS 68 2HD LYS 68 14.641 -5.017 -0.620 521 HD3 LYS 68 3HD LYS 68 14.174 -5.892 -2.076 522 HE2 LYS 68 2HE LYS 68 15.634 -4.528 -3.418 523 HE3 LYS 68 3HE LYS 68 16.013 -3.505 -2.032 524 HZ1 LYS 68 3HZ LYS 68 17.794 -5.028 -2.318 525 HZ2 LYS 68 1HZ LYS 68 16.746 -6.360 -2.411 526 HZ3 LYS 68 2HZ LYS 68 16.935 -5.528 -0.948 527 HA PRO 69 HA PRO 69 8.679 -2.057 -4.492 528 HB2 PRO 69 2HB PRO 69 10.541 -0.729 -6.085 529 HB3 PRO 69 3HB PRO 69 9.385 0.036 -4.994 530 HG2 PRO 69 2HG PRO 69 12.269 -0.587 -4.566 531 HG3 PRO 69 3HG PRO 69 11.327 0.814 -4.025 532 HD2 PRO 69 2HD PRO 69 11.995 -1.160 -2.338 533 HD3 PRO 69 3HD PRO 69 10.428 -0.333 -2.221 534 H ASN 70 H ASN 70 8.313 -3.288 -6.207 535 HA ASN 70 HA ASN 70 8.593 -4.598 -8.043 536 HB2 ASN 70 2HB ASN 70 10.692 -3.329 -8.551 537 HB3 ASN 70 3HB ASN 70 11.582 -4.502 -7.587 538 HD21 ASN 70 1HD2 ASN 70 12.809 -5.340 -9.198 539 HD22 ASN 70 2HD2 ASN 70 12.163 -6.239 -10.534 540 H ASP 71 H ASP 71 9.641 -5.280 -4.932 541 HA ASP 71 HA ASP 71 10.207 -8.083 -5.405 542 HB2 ASP 71 2HB ASP 71 11.198 -6.516 -3.546 543 HB3 ASP 71 3HB ASP 71 9.718 -6.912 -2.682 544 H ARG 72 H ARG 72 8.950 -9.705 -3.994 545 HA ARG 72 HA ARG 72 6.086 -9.030 -4.024 546 HB2 ARG 72 2HB ARG 72 7.290 -11.580 -5.107 547 HB3 ARG 72 3HB ARG 72 5.574 -11.234 -4.967 548 HG2 ARG 72 2HG ARG 72 5.847 -9.376 -6.555 549 HG3 ARG 72 3HG ARG 72 7.546 -9.821 -6.744 550 HD2 ARG 72 2HD ARG 72 5.132 -11.495 -7.404 551 HD3 ARG 72 3HD ARG 72 6.288 -10.800 -8.542 552 HE ARG 72 HE ARG 72 7.615 -12.491 -6.695 553 HH11 ARG 72 1HH1 ARG 72 5.507 -12.604 -9.493 554 HH12 ARG 72 2HH1 ARG 72 6.075 -14.166 -10.011 555 HH21 ARG 72 1HH2 ARG 72 8.339 -14.527 -7.336 556 HH22 ARG 72 2HH2 ARG 72 7.677 -15.286 -8.756 557 H TYR 73 H TYR 73 5.190 -9.440 -2.132 558 HA TYR 73 HA TYR 73 6.190 -11.745 -0.599 559 HB2 TYR 73 2HB TYR 73 5.283 -9.050 0.426 560 HB3 TYR 73 3HB TYR 73 5.428 -10.468 1.462 561 HD1 TYR 73 HD1 TYR 73 7.623 -11.391 2.001 562 HD2 TYR 73 HD2 TYR 73 7.240 -7.906 -0.412 563 HE1 TYR 73 HE1 TYR 73 10.008 -10.899 2.341 564 HE2 TYR 73 HE2 TYR 73 9.623 -7.405 -0.081 565 HH TYR 73 HH TYR 73 11.410 -7.899 1.496 566 H LEU 74 H LEU 74 4.667 -13.114 0.232 567 HA LEU 74 HA LEU 74 1.895 -12.527 -0.527 568 HB2 LEU 74 2HB LEU 74 1.476 -14.935 -0.514 569 HB3 LEU 74 3HB LEU 74 2.726 -14.503 -1.659 570 HG LEU 74 HG LEU 74 3.502 -15.499 1.062 571 HD11 LEU 74 1HD1 LEU 74 2.716 -17.221 -1.288 572 HD12 LEU 74 2HD1 LEU 74 1.849 -17.097 0.241 573 HD13 LEU 74 3HD1 LEU 74 3.471 -17.786 0.200 574 HD21 LEU 74 3HD2 LEU 74 4.740 -15.743 -1.683 575 HD22 LEU 74 1HD2 LEU 74 5.425 -16.368 -0.184 576 HD23 LEU 74 2HD2 LEU 74 5.248 -14.631 -0.415 577 H LEU 75 H LEU 75 0.503 -12.169 1.051 578 HA LEU 75 HA LEU 75 1.406 -12.736 3.788 579 HB2 LEU 75 2HB LEU 75 -0.476 -10.636 2.714 580 HB3 LEU 75 3HB LEU 75 -0.282 -10.963 4.423 581 HG LEU 75 HG LEU 75 2.210 -10.426 4.056 582 HD11 LEU 75 1HD1 LEU 75 2.666 -8.888 2.200 583 HD12 LEU 75 2HD1 LEU 75 1.054 -9.199 1.557 584 HD13 LEU 75 3HD1 LEU 75 2.238 -10.502 1.637 585 HD21 LEU 75 3HD2 LEU 75 0.142 -8.249 3.774 586 HD22 LEU 75 1HD2 LEU 75 1.802 -8.035 4.329 587 HD23 LEU 75 2HD2 LEU 75 0.668 -8.991 5.285 588 H ASN 76 H ASN 76 0.190 -13.916 5.140 589 HA ASN 76 HA ASN 76 -2.239 -15.140 4.106 590 HB2 ASN 76 2HB ASN 76 -2.109 -16.597 6.052 591 HB3 ASN 76 3HB ASN 76 -0.545 -16.539 5.250 592 HD21 ASN 76 1HD2 ASN 76 -2.303 -15.865 8.112 593 HD22 ASN 76 2HD2 ASN 76 -0.967 -15.325 9.068 594 H GLU 77 H GLU 77 -1.460 -12.367 5.581 595 HA GLU 77 HA GLU 77 -3.763 -12.197 7.353 596 HB2 GLU 77 2HB GLU 77 -1.620 -10.188 6.622 597 HB3 GLU 77 3HB GLU 77 -2.934 -9.865 7.743 598 HG2 GLU 77 2HG GLU 77 -0.887 -12.035 8.101 599 HG3 GLU 77 3HG GLU 77 -0.789 -10.432 8.829 600 H TRP 78 H TRP 78 -5.641 -11.284 6.791 601 HA TRP 78 HA TRP 78 -5.907 -10.244 4.074 602 HB2 TRP 78 2HB TRP 78 -7.929 -11.060 6.164 603 HB3 TRP 78 3HB TRP 78 -8.389 -10.283 4.652 604 HD1 TRP 78 HD1 TRP 78 -6.151 -13.344 5.555 605 HE1 TRP 78 HE1 TRP 78 -6.727 -15.257 3.925 606 HE3 TRP 78 HE3 TRP 78 -9.757 -10.986 2.787 607 HZ2 TRP 78 HZ2 TRP 78 -8.488 -15.695 1.762 608 HZ3 TRP 78 HZ3 TRP 78 -10.839 -12.227 0.959 609 HH2 TRP 78 HH2 TRP 78 -10.216 -14.530 0.458 610 H LYS 79 H LYS 79 -5.786 -9.168 7.336 611 HA LYS 79 HA LYS 79 -6.241 -6.417 6.394 612 HB2 LYS 79 2HB LYS 79 -7.193 -7.669 8.973 613 HB3 LYS 79 3HB LYS 79 -7.150 -5.933 8.701 614 HG2 LYS 79 2HG LYS 79 -8.747 -6.122 6.909 615 HG3 LYS 79 3HG LYS 79 -8.714 -7.884 7.025 616 HD2 LYS 79 2HD LYS 79 -10.684 -6.879 8.128 617 HD3 LYS 79 3HD LYS 79 -9.669 -7.800 9.238 618 HE2 LYS 79 2HE LYS 79 -8.620 -5.691 9.976 619 HE3 LYS 79 3HE LYS 79 -9.709 -4.803 8.912 620 HZ1 LYS 79 3HZ LYS 79 -11.575 -5.536 10.175 621 HZ2 LYS 79 1HZ LYS 79 -10.439 -4.893 11.255 622 HZ3 LYS 79 2HZ LYS 79 -10.614 -6.575 11.113 623 H PHE 80 H PHE 80 -4.562 -5.093 6.820 624 HA PHE 80 HA PHE 80 -2.886 -5.619 9.121 625 HB2 PHE 80 2HB PHE 80 -0.786 -5.592 7.697 626 HB3 PHE 80 3HB PHE 80 -1.743 -7.065 7.645 627 HD1 PHE 80 HD1 PHE 80 -0.749 -4.060 5.771 628 HD2 PHE 80 HD2 PHE 80 -2.793 -7.790 5.641 629 HE1 PHE 80 HE1 PHE 80 -0.803 -3.941 3.316 630 HE2 PHE 80 HE2 PHE 80 -2.855 -7.676 3.184 631 HZ PHE 80 HZ PHE 80 -1.856 -5.750 2.019 632 H ARG 81 H ARG 81 -1.315 -3.984 9.530 633 HA ARG 81 HA ARG 81 -2.164 -1.362 8.513 634 HB2 ARG 81 2HB ARG 81 -2.227 -1.870 10.996 635 HB3 ARG 81 3HB ARG 81 -0.473 -1.962 10.945 636 HG2 ARG 81 2HG ARG 81 -0.472 0.388 10.066 637 HG3 ARG 81 3HG ARG 81 -2.202 0.441 10.416 638 HD2 ARG 81 2HD ARG 81 0.088 0.128 12.338 639 HD3 ARG 81 3HD ARG 81 -1.138 1.392 12.295 640 HE ARG 81 HE ARG 81 -1.934 -1.376 12.865 641 HH11 ARG 81 1HH1 ARG 81 -1.629 1.966 13.886 642 HH12 ARG 81 2HH1 ARG 81 -2.510 1.710 15.371 643 HH21 ARG 81 1HH2 ARG 81 -3.088 -1.711 14.780 644 HH22 ARG 81 2HH2 ARG 81 -3.370 -0.378 15.860 645 H LEU 82 H LEU 82 -0.795 -0.164 7.324 646 HA LEU 82 HA LEU 82 1.990 -1.100 7.116 647 HB2 LEU 82 2HB LEU 82 0.290 0.388 5.110 648 HB3 LEU 82 3HB LEU 82 1.996 0.042 4.899 649 HG LEU 82 HG LEU 82 -0.176 -2.042 5.154 650 HD11 LEU 82 1HD1 LEU 82 1.354 -1.103 2.731 651 HD12 LEU 82 2HD1 LEU 82 -0.348 -0.787 3.067 652 HD13 LEU 82 3HD1 LEU 82 0.202 -2.437 2.778 653 HD21 LEU 82 3HD2 LEU 82 2.755 -2.305 4.480 654 HD22 LEU 82 1HD2 LEU 82 1.568 -3.611 4.472 655 HD23 LEU 82 2HD2 LEU 82 1.988 -2.810 5.986 656 H TYR 83 H TYR 83 3.607 0.293 7.471 657 HA TYR 83 HA TYR 83 2.895 3.025 8.297 658 HB2 TYR 83 2HB TYR 83 5.375 1.378 8.866 659 HB3 TYR 83 3HB TYR 83 5.125 3.036 9.403 660 HD1 TYR 83 HD2 TYR 83 3.714 -0.395 9.680 661 HD2 TYR 83 HD1 TYR 83 4.056 3.468 11.435 662 HE1 TYR 83 HE2 TYR 83 2.621 -1.230 11.714 663 HE2 TYR 83 HE1 TYR 83 2.959 2.644 13.476 664 HH TYR 83 HH TYR 83 2.214 -0.778 13.905 665 H TYR 84 H TYR 84 3.284 4.573 6.853 666 HA TYR 84 HA TYR 84 5.273 4.017 4.763 667 HB2 TYR 84 2HB TYR 84 2.966 4.403 3.961 668 HB3 TYR 84 3HB TYR 84 2.984 5.996 4.712 669 HD1 TYR 84 HD1 TYR 84 4.791 3.941 2.180 670 HD2 TYR 84 HD2 TYR 84 3.711 7.846 3.483 671 HE1 TYR 84 HE1 TYR 84 5.751 4.888 0.124 672 HE2 TYR 84 HE2 TYR 84 4.670 8.801 1.431 673 HH TYR 84 HH TYR 84 6.345 8.203 -0.276 674 H THR 85 H THR 85 7.156 4.775 5.581 675 HA THR 85 HA THR 85 7.288 7.460 6.685 676 HB THR 85 HB THR 85 9.496 5.463 6.115 677 HG1 THR 85 HG1 THR 85 8.219 6.175 8.572 678 HG21 THR 85 3HG2 THR 85 10.350 7.742 6.166 679 HG22 THR 85 1HG2 THR 85 10.851 6.870 7.613 680 HG23 THR 85 2HG2 THR 85 9.529 8.036 7.700 681 H SER 86 H SER 86 7.186 9.073 5.272 682 HA SER 86 HA SER 86 7.744 8.789 2.500 683 HB2 SER 86 2HB SER 86 7.395 11.303 4.151 684 HB3 SER 86 3HB SER 86 7.273 11.189 2.394 685 HG SER 86 HG SER 86 5.666 9.426 3.764 686 H GLN 87 H GLN 87 9.766 8.624 1.674 687 HA GLN 87 HA GLN 87 11.872 10.217 2.958 688 HB2 GLN 87 2HB GLN 87 13.496 8.769 1.849 689 HB3 GLN 87 3HB GLN 87 12.379 7.837 2.830 690 HG2 GLN 87 2HG GLN 87 12.398 6.523 1.001 691 HG3 GLN 87 3HG GLN 87 11.119 7.630 0.505 692 HE21 GLN 87 1HE2 GLN 87 14.466 6.746 0.105 693 HE22 GLN 87 2HE2 GLN 87 14.706 7.557 -1.405 694 H SER 88 H SER 88 9.930 9.996 0.163 695 HA SER 88 HA SER 88 11.622 11.813 -1.338 696 HB2 SER 88 2HB SER 88 9.666 11.747 -2.977 697 HB3 SER 88 3HB SER 88 10.510 10.223 -2.711 698 HG SER 88 HG SER 88 8.245 10.880 -1.167 699 H ASP 89 H ASP 89 11.694 13.790 -0.498 700 HA ASP 89 HA ASP 89 9.436 14.961 0.877 701 HB2 ASP 89 2HB ASP 89 12.075 16.252 0.149 702 HB3 ASP 89 3HB ASP 89 10.929 16.810 1.361 703 H LYS 90 H LYS 90 10.086 14.567 -2.254 704 HA LYS 90 HA LYS 90 9.675 17.260 -3.228 705 HB2 LYS 90 2HB LYS 90 9.907 14.652 -4.739 706 HB3 LYS 90 3HB LYS 90 10.003 16.264 -5.432 707 HG2 LYS 90 2HG LYS 90 12.045 16.703 -4.240 708 HG3 LYS 90 3HG LYS 90 11.926 15.151 -3.406 709 HD2 LYS 90 2HD LYS 90 12.172 13.972 -5.506 710 HD3 LYS 90 3HD LYS 90 12.195 15.502 -6.388 711 HE2 LYS 90 2HE LYS 90 14.219 14.613 -4.335 712 HE3 LYS 90 3HE LYS 90 14.450 14.607 -6.083 713 HZ1 LYS 90 3HZ LYS 90 15.449 16.556 -5.090 714 HZ2 LYS 90 1HZ LYS 90 13.969 17.010 -4.399 715 HZ3 LYS 90 2HZ LYS 90 14.154 17.014 -6.085 716 H GLU 91 H GLU 91 7.586 15.321 -1.874 717 HA GLU 91 HA GLU 91 5.346 14.948 -1.965 718 HB2 GLU 91 2HB GLU 91 5.454 17.175 -4.004 719 HB3 GLU 91 3HB GLU 91 3.966 16.492 -3.372 720 HG2 GLU 91 2HG GLU 91 4.661 17.183 -1.105 721 HG3 GLU 91 3HG GLU 91 6.071 17.967 -1.818 722 H ALA 92 H ALA 92 3.524 14.927 -4.062 723 HA ALA 92 HA ALA 92 2.749 13.643 -5.766 724 HB1 ALA 92 3HB ALA 92 5.586 13.907 -6.769 725 HB2 ALA 92 1HB ALA 92 4.270 15.041 -7.074 726 HB3 ALA 92 2HB ALA 92 4.193 13.406 -7.728 727 H GLN 93 H GLN 93 3.730 12.345 -3.407 728 HA GLN 93 HA GLN 93 5.355 10.110 -4.073 729 HB2 GLN 93 2HB GLN 93 3.532 10.462 -1.689 730 HB3 GLN 93 3HB GLN 93 4.838 9.295 -1.839 731 HG2 GLN 93 2HG GLN 93 6.421 11.208 -2.044 732 HG3 GLN 93 3HG GLN 93 5.076 12.286 -1.673 733 HE21 GLN 93 1HE2 GLN 93 4.181 12.262 0.389 734 HE22 GLN 93 2HE2 GLN 93 4.999 11.549 1.739 735 H THR 94 H THR 94 4.358 9.186 -5.851 736 HA THR 94 HA THR 94 1.704 8.015 -5.427 737 HB THR 94 HB THR 94 3.207 8.267 -8.041 738 HG1 THR 94 HG1 THR 94 2.842 10.361 -7.280 739 HG21 THR 94 3HG2 THR 94 1.401 6.620 -8.030 740 HG22 THR 94 1HG2 THR 94 0.963 8.011 -9.022 741 HG23 THR 94 2HG2 THR 94 0.283 7.831 -7.405 742 H ILE 95 H ILE 95 1.747 5.997 -4.760 743 HA ILE 95 HA ILE 95 3.853 4.181 -5.755 744 HB ILE 95 HB ILE 95 3.473 2.851 -3.669 745 HG12 ILE 95 2HG1 ILE 95 1.916 5.295 -2.798 746 HG13 ILE 95 3HG1 ILE 95 1.221 3.715 -3.147 747 HG21 ILE 95 1HG2 ILE 95 4.387 5.695 -3.254 748 HG22 ILE 95 2HG2 ILE 95 5.372 4.363 -3.863 749 HG23 ILE 95 3HG2 ILE 95 4.764 4.327 -2.206 750 HD11 ILE 95 3HD1 ILE 95 1.446 4.095 -0.756 751 HD12 ILE 95 1HD1 ILE 95 3.184 4.324 -0.947 752 HD13 ILE 95 2HD1 ILE 95 2.458 2.754 -1.290 753 H ASP 96 H ASP 96 3.224 2.079 -6.359 754 HA ASP 96 HA ASP 96 0.315 1.745 -6.671 755 HB2 ASP 96 2HB ASP 96 0.809 0.364 -8.673 756 HB3 ASP 96 3HB ASP 96 1.330 2.034 -8.850 757 H LEU 97 H LEU 97 -0.592 -0.222 -6.312 758 HA LEU 97 HA LEU 97 1.132 -2.307 -5.144 759 HB2 LEU 97 2HB LEU 97 -1.687 -1.580 -4.320 760 HB3 LEU 97 3HB LEU 97 -0.745 -2.901 -3.661 761 HG LEU 97 HG LEU 97 -0.018 0.017 -3.387 762 HD11 LEU 97 1HD1 LEU 97 -2.079 -0.506 -2.190 763 HD12 LEU 97 2HD1 LEU 97 -0.748 -0.233 -1.065 764 HD13 LEU 97 3HD1 LEU 97 -1.288 -1.876 -1.409 765 HD21 LEU 97 3HD2 LEU 97 1.894 -1.522 -3.310 766 HD22 LEU 97 1HD2 LEU 97 1.091 -2.446 -2.043 767 HD23 LEU 97 2HD2 LEU 97 1.585 -0.781 -1.739 768 H TYR 98 H TYR 98 1.224 -3.788 -6.762 769 HA TYR 98 HA TYR 98 -1.157 -4.370 -8.326 770 HB2 TYR 98 2HB TYR 98 1.586 -5.645 -8.456 771 HB3 TYR 98 3HB TYR 98 0.276 -5.896 -9.602 772 HD1 TYR 98 HD2 TYR 98 -0.698 -3.346 -10.332 773 HD2 TYR 98 HD1 TYR 98 3.302 -4.430 -9.374 774 HE1 TYR 98 HE2 TYR 98 0.130 -1.471 -11.685 775 HE2 TYR 98 HE1 TYR 98 4.138 -2.559 -10.734 776 HH TYR 98 HH TYR 98 2.128 -0.065 -11.863 777 H PHE 99 H PHE 99 -2.612 -5.448 -7.100 778 HA PHE 99 HA PHE 99 -1.816 -7.670 -5.439 779 HB2 PHE 99 2HB PHE 99 -4.514 -6.581 -6.257 780 HB3 PHE 99 3HB PHE 99 -4.326 -8.005 -5.240 781 HD1 PHE 99 HD1 PHE 99 -3.792 -4.366 -5.436 782 HD2 PHE 99 HD2 PHE 99 -3.741 -7.818 -2.948 783 HE1 PHE 99 HE1 PHE 99 -3.620 -2.928 -3.447 784 HE2 PHE 99 HE2 PHE 99 -3.572 -6.386 -0.957 785 HZ PHE 99 HZ PHE 99 -3.510 -3.937 -1.204 786 H GLU 100 H GLU 100 -1.315 -9.554 -6.245 787 HA GLU 100 HA GLU 100 -2.575 -10.424 -8.759 788 HB2 GLU 100 2HB GLU 100 -0.229 -9.643 -9.060 789 HB3 GLU 100 3HB GLU 100 0.296 -10.849 -7.895 790 HG2 GLU 100 2HG GLU 100 -0.513 -12.619 -9.388 791 HG3 GLU 100 3HG GLU 100 -0.988 -11.386 -10.560 792 H ASP 101 H ASP 101 -3.598 -12.332 -8.550 793 HA ASP 101 HA ASP 101 -3.537 -13.752 -6.091 794 HB2 ASP 101 2HB ASP 101 -5.085 -15.289 -7.082 795 HB3 ASP 101 3HB ASP 101 -5.500 -13.692 -7.690 796 H ASN 102 H ASN 102 -2.388 -14.548 -9.326 797 HA ASN 102 HA ASN 102 0.086 -15.578 -8.660 798 HB2 ASN 102 2HB ASN 102 -1.260 -17.307 -7.415 799 HB3 ASN 102 3HB ASN 102 -1.929 -17.818 -8.964 800 HD21 ASN 102 1HD2 ASN 102 1.374 -16.747 -8.472 801 HD22 ASN 102 2HD2 ASN 102 2.111 -18.287 -8.778 802 H TRP 103 H TRP 103 -2.779 -15.939 -10.695 803 HA TRP 103 HA TRP 103 -1.279 -15.560 -13.094 804 HB2 TRP 103 2HB TRP 103 -1.549 -17.770 -14.087 805 HB3 TRP 103 3HB TRP 103 -0.623 -17.886 -12.597 806 HD1 TRP 103 HD1 TRP 103 -3.402 -17.828 -10.736 807 HE1 TRP 103 HE1 TRP 103 -4.724 -20.034 -10.564 808 HE3 TRP 103 HE3 TRP 103 -1.533 -20.203 -14.858 809 HZ2 TRP 103 HZ2 TRP 103 -4.929 -22.463 -11.989 810 HZ3 TRP 103 HZ3 TRP 103 -2.340 -22.468 -15.380 811 HH2 TRP 103 HH2 TRP 103 -4.002 -23.572 -13.974 812 H GLY 104 H GLY 104 -3.986 -14.976 -11.563 813 HA2 GLY 104 2HA GLY 104 -5.658 -15.311 -13.971 814 HA3 GLY 104 3HA GLY 104 -6.268 -15.782 -12.397 815 H ASN 105 H ASN 105 -4.972 -13.425 -11.083 816 HA ASN 105 HA ASN 105 -6.725 -11.314 -12.169 817 HB2 ASN 105 2HB ASN 105 -7.834 -12.519 -10.268 818 HB3 ASN 105 3HB ASN 105 -6.516 -11.987 -9.227 819 HD21 ASN 105 1HD2 ASN 105 -9.306 -11.018 -11.052 820 HD22 ASN 105 2HD2 ASN 105 -9.484 -9.458 -10.321 821 H LEU 106 H LEU 106 -6.011 -9.243 -11.948 822 HA LEU 106 HA LEU 106 -3.634 -8.679 -10.364 823 HB2 LEU 106 2HB LEU 106 -2.799 -9.359 -12.592 824 HB3 LEU 106 3HB LEU 106 -3.792 -8.120 -13.331 825 HG LEU 106 HG LEU 106 -2.491 -6.385 -12.164 826 HD11 LEU 106 1HD1 LEU 106 -1.788 -7.650 -10.215 827 HD12 LEU 106 2HD1 LEU 106 -0.384 -7.001 -11.066 828 HD13 LEU 106 3HD1 LEU 106 -0.807 -8.706 -11.230 829 HD21 LEU 106 3HD2 LEU 106 -0.439 -6.645 -13.481 830 HD22 LEU 106 1HD2 LEU 106 -1.879 -7.040 -14.421 831 HD23 LEU 106 2HD2 LEU 106 -0.858 -8.329 -13.787 832 H GLN 107 H GLN 107 -4.336 -7.046 -9.143 833 HA GLN 107 HA GLN 107 -5.931 -4.924 -10.436 834 HB2 GLN 107 2HB GLN 107 -7.216 -6.338 -8.823 835 HB3 GLN 107 3HB GLN 107 -6.117 -5.817 -7.554 836 HG2 GLN 107 2HG GLN 107 -8.180 -4.554 -7.480 837 HG3 GLN 107 3HG GLN 107 -6.818 -3.505 -7.886 838 HE21 GLN 107 1HE2 GLN 107 -9.708 -5.034 -9.047 839 HE22 GLN 107 2HE2 GLN 107 -9.854 -4.121 -10.508 840 H GLN 108 H GLN 108 -4.873 -3.055 -10.543 841 HA GLN 108 HA GLN 108 -2.650 -2.562 -8.714 842 HB2 GLN 108 2HB GLN 108 -2.165 -2.202 -11.060 843 HB3 GLN 108 3HB GLN 108 -3.541 -1.116 -11.213 844 HG2 GLN 108 2HG GLN 108 -2.427 0.390 -9.554 845 HG3 GLN 108 3HG GLN 108 -1.007 -0.647 -9.660 846 HE21 GLN 108 1HE2 GLN 108 -1.333 2.167 -10.331 847 HE22 GLN 108 2HE2 GLN 108 -0.877 2.327 -11.994 848 H LEU 109 H LEU 109 -3.201 -1.626 -6.845 849 HA LEU 109 HA LEU 109 -5.113 0.589 -6.874 850 HB2 LEU 109 2HB LEU 109 -3.607 -0.721 -4.604 851 HB3 LEU 109 3HB LEU 109 -4.672 0.659 -4.405 852 HG LEU 109 HG LEU 109 -5.465 -2.116 -5.299 853 HD11 LEU 109 1HD1 LEU 109 -6.125 -0.535 -2.818 854 HD12 LEU 109 2HD1 LEU 109 -5.011 -1.899 -2.911 855 HD13 LEU 109 3HD1 LEU 109 -6.730 -2.143 -3.220 856 HD21 LEU 109 3HD2 LEU 109 -7.759 -1.274 -5.310 857 HD22 LEU 109 1HD2 LEU 109 -6.764 -0.416 -6.488 858 HD23 LEU 109 2HD2 LEU 109 -7.172 0.352 -4.954 859 H THR 110 H THR 110 -4.485 2.725 -6.288 860 HA THR 110 HA THR 110 -1.591 3.221 -6.366 861 HB THR 110 HB THR 110 -3.549 4.668 -8.158 862 HG1 THR 110 HG1 THR 110 -2.506 2.258 -8.442 863 HG21 THR 110 3HG2 THR 110 -0.529 4.693 -8.039 864 HG22 THR 110 1HG2 THR 110 -1.595 5.999 -7.520 865 HG23 THR 110 2HG2 THR 110 -1.519 5.547 -9.224 866 H TYR 111 H TYR 111 -0.978 4.709 -4.944 867 HA TYR 111 HA TYR 111 -2.985 6.612 -3.928 868 HB2 TYR 111 2HB TYR 111 -0.904 5.159 -2.273 869 HB3 TYR 111 3HB TYR 111 -2.051 6.355 -1.676 870 HD1 TYR 111 HD2 TYR 111 -4.497 5.817 -1.696 871 HD2 TYR 111 HD1 TYR 111 -1.522 2.891 -2.518 872 HE1 TYR 111 HE2 TYR 111 -6.141 4.037 -1.284 873 HE2 TYR 111 HE1 TYR 111 -3.157 1.105 -2.113 874 HH TYR 111 HH TYR 111 -6.449 1.634 -2.003 875 H ASP 112 H ASP 112 -2.269 8.686 -3.640 876 HA ASP 112 HA ASP 112 0.606 9.148 -3.970 877 HB2 ASP 112 2HB ASP 112 0.272 10.979 -5.473 878 HB3 ASP 112 3HB ASP 112 -0.595 9.594 -6.123 879 H PHE 113 H PHE 113 1.474 10.480 -2.559 880 HA PHE 113 HA PHE 113 -0.332 12.004 -0.799 881 HB2 PHE 113 2HB PHE 113 2.455 10.975 -0.203 882 HB3 PHE 113 3HB PHE 113 1.397 11.817 0.925 883 HD1 PHE 113 HD1 PHE 113 -0.706 10.717 1.680 884 HD2 PHE 113 HD2 PHE 113 2.255 8.656 -0.576 885 HE1 PHE 113 HE1 PHE 113 -1.674 8.572 2.380 886 HE2 PHE 113 HE2 PHE 113 1.287 6.502 0.122 887 HZ PHE 113 HZ PHE 113 -0.679 6.459 1.602 888 H ASN 114 H ASN 114 0.403 14.086 -0.058 889 HA ASN 114 HA ASN 114 2.546 15.359 -1.556 890 HB2 ASN 114 2HB ASN 114 1.148 17.060 -2.550 891 HB3 ASN 114 3HB ASN 114 0.540 15.483 -3.038 892 HD21 ASN 114 1HD2 ASN 114 -1.394 14.709 -2.106 893 HD22 ASN 114 2HD2 ASN 114 -2.528 15.778 -1.356 894 H GLY 115 H GLY 115 2.521 17.830 -0.928 895 HA2 GLY 115 2HA GLY 115 1.826 18.002 1.940 896 HA3 GLY 115 3HA GLY 115 3.395 18.518 1.338 897 H LYS 116 H LYS 116 0.355 18.999 -0.328 898 HA LYS 116 HA LYS 116 0.900 21.848 -0.432 899 HB2 LYS 116 2HB LYS 116 -1.187 20.137 -1.791 900 HB3 LYS 116 3HB LYS 116 -1.013 21.872 -2.040 901 HG2 LYS 116 2HG LYS 116 1.169 21.582 -2.979 902 HG3 LYS 116 3HG LYS 116 1.169 19.868 -2.565 903 HD2 LYS 116 2HD LYS 116 -0.690 19.494 -4.105 904 HD3 LYS 116 3HD LYS 116 -0.701 21.211 -4.514 905 HE2 LYS 116 2HE LYS 116 0.484 19.902 -6.208 906 HE3 LYS 116 3HE LYS 116 1.567 21.029 -5.390 907 HZ1 LYS 116 3HZ LYS 116 1.362 18.098 -4.951 908 HZ2 LYS 116 1HZ LYS 116 2.264 19.136 -3.951 909 HZ3 LYS 116 2HZ LYS 116 2.679 18.957 -5.586 910 H LEU 117 H LEU 117 -0.129 20.386 2.009 911 HA LEU 117 HA LEU 117 -2.761 21.351 2.507 912 HB2 LEU 117 2HB LEU 117 -1.779 19.448 3.723 913 HB3 LEU 117 3HB LEU 117 -0.595 20.522 4.444 914 HG LEU 117 HG LEU 117 -2.466 21.752 5.549 915 HD11 LEU 117 1HD1 LEU 117 -4.253 21.137 4.013 916 HD12 LEU 117 2HD1 LEU 117 -4.653 20.672 5.666 917 HD13 LEU 117 3HD1 LEU 117 -4.113 19.450 4.514 918 HD21 LEU 117 3HD2 LEU 117 -2.855 20.060 7.257 919 HD22 LEU 117 1HD2 LEU 117 -1.173 20.050 6.731 920 HD23 LEU 117 2HD2 LEU 117 -2.283 18.806 6.156 921 H GLU 118 H GLU 118 0.445 22.648 2.808 922 HA GLU 118 HA GLU 118 -0.269 24.801 4.544 923 HB2 GLU 118 2HB GLU 118 2.033 25.694 3.631 924 HB3 GLU 118 3HB GLU 118 1.961 24.372 4.783 925 HG2 GLU 118 2HG GLU 118 3.567 23.869 3.081 926 HG3 GLU 118 3HG GLU 118 2.199 22.775 2.924 927 H HIS 119 H HIS 119 -0.777 24.242 1.265 928 HA HIS 119 HA HIS 119 -0.835 26.897 0.288 929 HB2 HIS 119 2HB HIS 119 -2.187 24.336 -0.495 930 HB3 HIS 119 3HB HIS 119 -2.719 25.845 -1.223 931 HD1 HIS 119 HD1 HIS 119 0.764 24.352 -0.604 932 HD2 HIS 119 HD2 HIS 119 -1.548 26.066 -3.622 933 HE1 HIS 119 HE1 HIS 119 2.230 24.401 -2.652 934 HE2 HIS 119 HE2 HIS 119 0.854 25.547 -4.432 935 H HIS 120 H HIS 120 -3.232 24.849 1.847 936 HA HIS 120 HA HIS 120 -5.039 25.258 3.117 937 HB2 HIS 120 2HB HIS 120 -3.810 28.007 3.246 938 HB3 HIS 120 3HB HIS 120 -5.276 27.580 4.123 939 HD1 HIS 120 HD1 HIS 120 -1.797 27.854 4.654 940 HD2 HIS 120 HD2 HIS 120 -4.690 25.079 5.771 941 HE1 HIS 120 HE1 HIS 120 -0.829 26.607 6.611 942 HE2 HIS 120 HE2 HIS 120 -2.515 24.810 7.143 943 H HIS 121 H HIS 121 -4.902 28.395 1.434 944 HA HIS 121 HA HIS 121 -7.750 28.167 0.977 945 HB2 HIS 121 2HB HIS 121 -6.626 30.283 1.782 946 HB3 HIS 121 3HB HIS 121 -5.945 30.445 0.167 947 HD1 HIS 121 HD1 HIS 121 -9.364 30.164 1.803 948 HD2 HIS 121 HD2 HIS 121 -7.540 31.820 -1.549 949 HE1 HIS 121 HE1 HIS 121 -11.150 31.508 0.656 950 HE2 HIS 121 HE2 HIS 121 -9.949 32.711 -1.204 951 H HIS 122 H HIS 122 -8.540 27.249 -0.749 952 HA HIS 122 HA HIS 122 -6.976 26.620 -3.040 953 HB2 HIS 122 2HB HIS 122 -9.939 26.452 -2.488 954 HB3 HIS 122 3HB HIS 122 -9.231 25.961 -4.025 955 HD1 HIS 122 HD1 HIS 122 -8.669 23.555 -4.154 956 HD2 HIS 122 HD2 HIS 122 -8.603 24.953 -0.236 957 HE1 HIS 122 HE1 HIS 122 -8.154 21.555 -2.726 958 HE2 HIS 122 HE2 HIS 122 -7.881 22.476 -0.395 959 H HIS 123 H HIS 123 -7.179 27.418 -5.162 960 HA HIS 123 HA HIS 123 -7.384 30.294 -5.137 961 HB2 HIS 123 2HB HIS 123 -6.498 28.315 -7.230 962 HB3 HIS 123 3HB HIS 123 -6.605 30.043 -7.549 963 HD1 HIS 123 HD1 HIS 123 -4.677 31.475 -6.809 964 HD2 HIS 123 HD2 HIS 123 -4.523 27.620 -5.244 965 HE1 HIS 123 HE1 HIS 123 -2.435 31.284 -5.691 966 HE2 HIS 123 HE2 HIS 123 -2.305 28.910 -4.859 967 H HIS 124 H HIS 124 -8.370 31.447 -6.977 968 HA HIS 124 HA HIS 124 -10.784 30.136 -8.023 969 HB2 HIS 124 2HB HIS 124 -10.640 32.902 -6.802 970 HB3 HIS 124 3HB HIS 124 -12.020 32.289 -7.707 971 HD1 HIS 124 HD1 HIS 124 -10.541 32.369 -4.359 972 HD2 HIS 124 HD2 HIS 124 -13.348 30.065 -6.392 973 HE1 HIS 124 HE1 HIS 124 -11.813 31.125 -2.583 974 HE2 HIS 124 HE2 HIS 124 -13.644 29.912 -3.828 Start of MODEL 18 1 H1 MET 1 1H MET 1 -21.747 8.605 -10.691 2 H2 MET 1 2H MET 1 -22.199 7.208 -11.534 3 H3 MET 1 3H MET 1 -21.283 8.406 -12.306 4 HA MET 1 HA MET 1 -19.428 7.994 -10.839 5 HB2 MET 1 2HB MET 1 -21.281 5.880 -9.727 6 HB3 MET 1 3HB MET 1 -19.548 5.886 -9.443 7 HG2 MET 1 2HG MET 1 -20.655 6.823 -7.544 8 HG3 MET 1 3HG MET 1 -19.766 8.099 -8.371 9 HE1 MET 1 3HE MET 1 -22.865 10.007 -6.941 10 HE2 MET 1 1HE MET 1 -21.107 9.895 -6.982 11 HE3 MET 1 2HE MET 1 -22.051 8.643 -6.174 12 H ASN 2 H ASN 2 -17.839 6.373 -11.360 13 HA ASN 2 HA ASN 2 -18.704 4.504 -13.473 14 HB2 ASN 2 2HB ASN 2 -16.713 4.919 -14.730 15 HB3 ASN 2 3HB ASN 2 -17.400 6.490 -14.347 16 HD21 ASN 2 1HD2 ASN 2 -16.390 7.765 -12.727 17 HD22 ASN 2 2HD2 ASN 2 -14.723 7.523 -12.325 18 H GLU 3 H GLU 3 -17.793 4.687 -10.445 19 HA GLU 3 HA GLU 3 -15.692 2.762 -10.280 20 HB2 GLU 3 2HB GLU 3 -17.619 3.696 -8.141 21 HB3 GLU 3 3HB GLU 3 -16.146 2.779 -7.863 22 HG2 GLU 3 2HG GLU 3 -15.547 4.949 -7.325 23 HG3 GLU 3 3HG GLU 3 -14.943 4.760 -8.969 24 H LEU 4 H LEU 4 -16.235 0.824 -8.644 25 HA LEU 4 HA LEU 4 -17.992 -0.863 -10.156 26 HB2 LEU 4 2HB LEU 4 -16.464 -1.401 -7.611 27 HB3 LEU 4 3HB LEU 4 -17.327 -2.613 -8.540 28 HG LEU 4 HG LEU 4 -14.953 -1.018 -9.518 29 HD11 LEU 4 1HD1 LEU 4 -13.759 -3.144 -9.401 30 HD12 LEU 4 2HD1 LEU 4 -15.187 -3.914 -8.714 31 HD13 LEU 4 3HD1 LEU 4 -14.344 -2.653 -7.812 32 HD21 LEU 4 3HD2 LEU 4 -16.476 -1.581 -11.331 33 HD22 LEU 4 1HD2 LEU 4 -16.496 -3.265 -10.811 34 HD23 LEU 4 2HD2 LEU 4 -15.007 -2.552 -11.432 35 H ASP 5 H ASP 5 -20.089 -0.189 -9.924 36 HA ASP 5 HA ASP 5 -21.222 -0.163 -7.219 37 HB2 ASP 5 2HB ASP 5 -21.876 1.716 -8.622 38 HB3 ASP 5 3HB ASP 5 -22.425 0.620 -9.886 39 H ILE 6 H ILE 6 -21.645 -2.147 -6.522 40 HA ILE 6 HA ILE 6 -23.032 -3.999 -8.348 41 HB ILE 6 HB ILE 6 -21.207 -4.757 -6.055 42 HG12 ILE 6 2HG1 ILE 6 -20.721 -4.951 -9.040 43 HG13 ILE 6 3HG1 ILE 6 -19.975 -3.770 -7.968 44 HG21 ILE 6 1HG2 ILE 6 -21.413 -7.034 -6.968 45 HG22 ILE 6 2HG2 ILE 6 -22.578 -6.439 -8.151 46 HG23 ILE 6 3HG2 ILE 6 -22.965 -6.389 -6.432 47 HD11 ILE 6 3HD1 ILE 6 -18.470 -5.609 -8.493 48 HD12 ILE 6 1HD1 ILE 6 -19.621 -6.756 -7.810 49 HD13 ILE 6 2HD1 ILE 6 -18.844 -5.560 -6.772 50 H GLN 7 H GLN 7 -25.006 -4.590 -7.726 51 HA GLN 7 HA GLN 7 -25.985 -3.709 -5.135 52 HB2 GLN 7 2HB GLN 7 -27.316 -3.338 -7.191 53 HB3 GLN 7 3HB GLN 7 -27.450 -5.080 -7.397 54 HG2 GLN 7 2HG GLN 7 -28.539 -5.136 -5.121 55 HG3 GLN 7 3HG GLN 7 -28.621 -3.378 -5.219 56 HE21 GLN 7 1HE2 GLN 7 -29.818 -6.383 -6.458 57 HE22 GLN 7 2HE2 GLN 7 -31.161 -5.723 -7.332 58 H GLN 8 H GLN 8 -25.297 -5.038 -3.549 59 HA GLN 8 HA GLN 8 -25.121 -6.855 -2.207 60 HB2 GLN 8 2HB GLN 8 -27.369 -7.941 -3.914 61 HB3 GLN 8 3HB GLN 8 -26.871 -8.569 -2.349 62 HG2 GLN 8 2HG GLN 8 -27.475 -6.429 -1.312 63 HG3 GLN 8 3HG GLN 8 -28.012 -5.835 -2.882 64 HE21 GLN 8 1HE2 GLN 8 -28.472 -9.115 -1.776 65 HE22 GLN 8 2HE2 GLN 8 -30.195 -9.025 -1.611 66 H GLU 9 H GLU 9 -25.321 -9.570 -2.619 67 HA GLU 9 HA GLU 9 -24.209 -11.388 -3.412 68 HB2 GLU 9 2HB GLU 9 -23.867 -9.722 -5.920 69 HB3 GLU 9 3HB GLU 9 -23.478 -11.430 -5.785 70 HG2 GLU 9 2HG GLU 9 -26.220 -10.239 -5.433 71 HG3 GLU 9 3HG GLU 9 -25.626 -11.039 -6.887 72 H TYR 10 H TYR 10 -21.981 -12.042 -4.395 73 HA TYR 10 HA TYR 10 -19.727 -12.062 -4.248 74 HB2 TYR 10 2HB TYR 10 -20.182 -9.134 -4.796 75 HB3 TYR 10 3HB TYR 10 -18.576 -9.852 -4.722 76 HD1 TYR 10 HD2 TYR 10 -17.994 -11.682 -6.345 77 HD2 TYR 10 HD1 TYR 10 -21.504 -9.316 -6.753 78 HE1 TYR 10 HE2 TYR 10 -18.168 -12.356 -8.699 79 HE2 TYR 10 HE1 TYR 10 -21.690 -9.989 -9.113 80 HH TYR 10 HH TYR 10 -19.856 -12.542 -10.439 81 HA PRO 11 HA PRO 11 -19.548 -11.132 0.177 82 HB2 PRO 11 2HB PRO 11 -18.044 -13.261 0.854 83 HB3 PRO 11 3HB PRO 11 -19.778 -13.392 0.536 84 HG2 PRO 11 2HG PRO 11 -17.470 -14.037 -1.256 85 HG3 PRO 11 3HG PRO 11 -18.968 -14.947 -0.988 86 HD2 PRO 11 2HD PRO 11 -18.568 -13.321 -3.139 87 HD3 PRO 11 3HD PRO 11 -20.169 -13.638 -2.442 88 H PHE 12 H PHE 12 -17.304 -10.779 -2.214 89 HA PHE 12 HA PHE 12 -15.037 -10.394 -0.416 90 HB2 PHE 12 2HB PHE 12 -13.641 -10.328 -2.296 91 HB3 PHE 12 3HB PHE 12 -14.852 -11.526 -2.727 92 HD1 PHE 12 HD2 PHE 12 -16.675 -10.893 -4.322 93 HD2 PHE 12 HD1 PHE 12 -13.324 -8.384 -3.559 94 HE1 PHE 12 HE2 PHE 12 -17.126 -9.658 -6.402 95 HE2 PHE 12 HE1 PHE 12 -13.766 -7.150 -5.638 96 HZ PHE 12 HZ PHE 12 -15.671 -7.786 -7.064 97 H THR 13 H THR 13 -13.989 -8.397 -0.190 98 HA THR 13 HA THR 13 -15.115 -6.050 -1.431 99 HB THR 13 HB THR 13 -16.678 -6.280 0.410 100 HG1 THR 13 HG1 THR 13 -16.040 -4.266 1.586 101 HG21 THR 13 3HG2 THR 13 -15.923 -6.184 2.752 102 HG22 THR 13 1HG2 THR 13 -14.251 -6.301 2.203 103 HG23 THR 13 2HG2 THR 13 -15.366 -7.640 1.930 104 H VAL 14 H VAL 14 -13.652 -4.486 -1.642 105 HA VAL 14 HA VAL 14 -11.030 -4.883 -0.404 106 HB VAL 14 HB VAL 14 -11.803 -2.995 -2.640 107 HG11 VAL 14 1HG1 VAL 14 -9.090 -3.836 -1.624 108 HG12 VAL 14 2HG1 VAL 14 -9.839 -2.258 -1.392 109 HG13 VAL 14 3HG1 VAL 14 -9.396 -2.792 -3.013 110 HG21 VAL 14 3HG2 VAL 14 -10.424 -5.676 -2.781 111 HG22 VAL 14 1HG2 VAL 14 -10.692 -4.579 -4.136 112 HG23 VAL 14 2HG2 VAL 14 -12.066 -5.326 -3.320 113 H GLU 15 H GLU 15 -10.905 -3.940 1.506 114 HA GLU 15 HA GLU 15 -12.214 -1.341 1.923 115 HB2 GLU 15 2HB GLU 15 -11.118 -3.231 4.012 116 HB3 GLU 15 3HB GLU 15 -12.161 -1.840 4.281 117 HG2 GLU 15 2HG GLU 15 -13.959 -2.982 3.054 118 HG3 GLU 15 3HG GLU 15 -12.910 -4.387 2.863 119 H SER 16 H SER 16 -11.006 0.427 2.317 120 HA SER 16 HA SER 16 -8.310 0.243 3.289 121 HB2 SER 16 2HB SER 16 -8.008 -0.237 0.873 122 HB3 SER 16 3HB SER 16 -8.788 1.295 0.486 123 HG SER 16 HG SER 16 -6.526 1.514 0.462 124 H MET 17 H MET 17 -7.875 2.005 4.467 125 HA MET 17 HA MET 17 -9.609 4.324 4.307 126 HB2 MET 17 2HB MET 17 -7.234 3.641 6.040 127 HB3 MET 17 3HB MET 17 -7.968 5.236 6.057 128 HG2 MET 17 2HG MET 17 -8.875 4.060 7.879 129 HG3 MET 17 3HG MET 17 -10.138 4.113 6.651 130 HE1 MET 17 3HE MET 17 -10.142 2.119 9.196 131 HE2 MET 17 1HE MET 17 -10.747 0.660 8.411 132 HE3 MET 17 2HE MET 17 -11.434 2.231 8.000 133 HA PRO 18 HA PRO 18 -7.256 5.786 0.844 134 HB2 PRO 18 2HB PRO 18 -8.263 8.381 0.962 135 HB3 PRO 18 3HB PRO 18 -8.979 7.030 0.080 136 HG2 PRO 18 2HG PRO 18 -9.675 8.123 2.766 137 HG3 PRO 18 3HG PRO 18 -10.738 7.471 1.506 138 HD2 PRO 18 2HD PRO 18 -10.122 6.051 3.690 139 HD3 PRO 18 3HD PRO 18 -10.300 5.274 2.103 140 H VAL 19 H VAL 19 -5.176 5.816 1.514 141 HA VAL 19 HA VAL 19 -4.220 8.013 3.156 142 HB VAL 19 HB VAL 19 -1.972 6.880 2.857 143 HG11 VAL 19 1HG1 VAL 19 -3.310 6.573 4.859 144 HG12 VAL 19 2HG1 VAL 19 -2.514 5.060 4.424 145 HG13 VAL 19 3HG1 VAL 19 -4.229 5.286 4.076 146 HG21 VAL 19 3HG2 VAL 19 -3.677 4.704 1.634 147 HG22 VAL 19 1HG2 VAL 19 -1.973 4.561 2.065 148 HG23 VAL 19 2HG2 VAL 19 -2.470 5.671 0.787 149 H ALA 20 H ALA 20 -4.203 9.859 2.053 150 HA ALA 20 HA ALA 20 -2.406 10.300 -0.095 151 HB1 ALA 20 3HB ALA 20 -4.142 9.151 -1.380 152 HB2 ALA 20 1HB ALA 20 -4.047 10.852 -1.838 153 HB3 ALA 20 2HB ALA 20 -5.348 10.294 -0.786 154 H ASP 21 H ASP 21 -3.625 12.506 -1.250 155 HA ASP 21 HA ASP 21 -4.264 14.666 -1.025 156 HB2 ASP 21 2HB ASP 21 -6.090 13.866 0.440 157 HB3 ASP 21 3HB ASP 21 -5.014 13.997 1.827 158 H GLU 22 H GLU 22 -2.790 13.761 2.115 159 HA GLU 22 HA GLU 22 -0.960 16.036 1.709 160 HB2 GLU 22 2HB GLU 22 -2.790 16.423 3.420 161 HB3 GLU 22 3HB GLU 22 -2.044 15.158 4.388 162 HG2 GLU 22 2HG GLU 22 -1.354 17.343 5.154 163 HG3 GLU 22 3HG GLU 22 0.020 16.452 4.499 164 H ILE 23 H ILE 23 1.135 15.799 2.406 165 HA ILE 23 HA ILE 23 2.077 13.651 3.974 166 HB ILE 23 HB ILE 23 1.590 12.813 1.407 167 HG12 ILE 23 2HG1 ILE 23 2.048 11.393 3.374 168 HG13 ILE 23 3HG1 ILE 23 2.926 10.854 1.949 169 HG21 ILE 23 1HG2 ILE 23 3.315 14.218 0.445 170 HG22 ILE 23 2HG2 ILE 23 3.735 12.513 0.280 171 HG23 ILE 23 3HG2 ILE 23 4.521 13.502 1.513 172 HD11 ILE 23 3HD1 ILE 23 4.086 12.450 4.220 173 HD12 ILE 23 1HD1 ILE 23 4.960 11.867 2.805 174 HD13 ILE 23 2HD1 ILE 23 4.286 10.717 3.959 175 H ALA 24 H ALA 24 4.200 14.027 4.611 176 HA ALA 24 HA ALA 24 5.606 16.281 3.370 177 HB1 ALA 24 3HB ALA 24 5.106 15.998 6.333 178 HB2 ALA 24 1HB ALA 24 4.310 17.151 5.262 179 HB3 ALA 24 2HB ALA 24 6.044 17.271 5.553 180 H GLY 25 H GLY 25 7.839 16.491 4.682 181 HA2 GLY 25 2HA GLY 25 9.203 14.024 4.191 182 HA3 GLY 25 3HA GLY 25 9.914 15.498 4.834 183 H ASP 26 H ASP 26 10.047 12.556 5.590 184 HA ASP 26 HA ASP 26 10.286 11.299 7.463 185 HB2 ASP 26 2HB ASP 26 10.278 14.015 8.796 186 HB3 ASP 26 3HB ASP 26 10.624 12.512 9.642 187 H GLU 27 H GLU 27 7.677 11.681 6.432 188 HA GLU 27 HA GLU 27 6.024 11.710 8.868 189 HB2 GLU 27 2HB GLU 27 5.390 13.412 7.241 190 HB3 GLU 27 3HB GLU 27 5.279 12.199 5.975 191 HG2 GLU 27 2HG GLU 27 3.082 12.864 6.763 192 HG3 GLU 27 3HG GLU 27 3.397 11.165 7.100 193 H THR 28 H THR 28 4.804 9.955 9.375 194 HA THR 28 HA THR 28 5.184 7.579 7.680 195 HB THR 28 HB THR 28 4.620 7.732 10.651 196 HG1 THR 28 HG1 THR 28 6.750 8.106 10.467 197 HG21 THR 28 3HG2 THR 28 5.103 5.320 8.891 198 HG22 THR 28 1HG2 THR 28 3.565 5.765 9.632 199 HG23 THR 28 2HG2 THR 28 4.931 5.299 10.647 200 H VAL 29 H VAL 29 3.489 7.079 6.525 201 HA VAL 29 HA VAL 29 0.811 7.873 7.431 202 HB VAL 29 HB VAL 29 1.541 6.782 4.714 203 HG11 VAL 29 1HG1 VAL 29 -0.441 8.051 3.998 204 HG12 VAL 29 2HG1 VAL 29 -0.730 8.510 5.677 205 HG13 VAL 29 3HG1 VAL 29 -0.821 6.814 5.198 206 HG21 VAL 29 3HG2 VAL 29 1.748 9.087 3.922 207 HG22 VAL 29 1HG2 VAL 29 2.984 8.694 5.116 208 HG23 VAL 29 2HG2 VAL 29 1.588 9.670 5.579 209 H GLU 30 H GLU 30 -0.523 6.358 8.248 210 HA GLU 30 HA GLU 30 0.339 3.580 8.109 211 HB2 GLU 30 2HB GLU 30 -1.454 3.166 9.784 212 HB3 GLU 30 3HB GLU 30 -0.245 4.329 10.304 213 HG2 GLU 30 2HG GLU 30 -1.763 6.157 9.846 214 HG3 GLU 30 3HG GLU 30 -2.966 5.024 9.225 215 H ILE 31 H ILE 31 -0.198 2.583 6.338 216 HA ILE 31 HA ILE 31 -2.674 3.143 4.952 217 HB ILE 31 HB ILE 31 -0.583 1.059 4.306 218 HG12 ILE 31 2HG1 ILE 31 -0.876 3.909 3.319 219 HG13 ILE 31 3HG1 ILE 31 0.407 3.298 4.355 220 HG21 ILE 31 1HG2 ILE 31 -1.547 1.170 2.040 221 HG22 ILE 31 2HG2 ILE 31 -2.774 2.290 2.635 222 HG23 ILE 31 3HG2 ILE 31 -2.725 0.634 3.239 223 HD11 ILE 31 3HD1 ILE 31 1.182 1.857 2.544 224 HD12 ILE 31 1HD1 ILE 31 1.173 3.558 2.072 225 HD13 ILE 31 2HD1 ILE 31 -0.102 2.477 1.506 226 H ARG 32 H ARG 32 -4.435 2.327 5.873 227 HA ARG 32 HA ARG 32 -4.357 -0.276 7.177 228 HB2 ARG 32 2HB ARG 32 -6.679 1.644 6.902 229 HB3 ARG 32 3HB ARG 32 -6.565 0.271 7.997 230 HG2 ARG 32 2HG ARG 32 -4.841 1.339 9.260 231 HG3 ARG 32 3HG ARG 32 -4.743 2.658 8.095 232 HD2 ARG 32 2HD ARG 32 -7.148 3.167 8.634 233 HD3 ARG 32 3HD ARG 32 -7.022 2.004 9.953 234 HE ARG 32 HE ARG 32 -4.960 3.648 10.470 235 HH11 ARG 32 1HH1 ARG 32 -8.323 4.312 9.714 236 HH12 ARG 32 2HH1 ARG 32 -8.362 5.798 10.611 237 HH21 ARG 32 1HH2 ARG 32 -5.022 5.583 11.660 238 HH22 ARG 32 2HH2 ARG 32 -6.490 6.505 11.742 239 H LEU 33 H LEU 33 -4.491 -1.941 5.823 240 HA LEU 33 HA LEU 33 -6.288 -1.708 3.493 241 HB2 LEU 33 2HB LEU 33 -3.633 -1.928 3.339 242 HB3 LEU 33 3HB LEU 33 -4.005 -3.627 3.522 243 HG LEU 33 HG LEU 33 -3.715 -2.983 1.173 244 HD11 LEU 33 1HD1 LEU 33 -5.746 -3.980 0.277 245 HD12 LEU 33 2HD1 LEU 33 -6.546 -3.759 1.834 246 HD13 LEU 33 3HD1 LEU 33 -5.173 -4.856 1.696 247 HD21 LEU 33 3HD2 LEU 33 -5.394 -1.571 0.074 248 HD22 LEU 33 1HD2 LEU 33 -4.465 -0.687 1.287 249 HD23 LEU 33 2HD2 LEU 33 -6.109 -1.218 1.647 250 H GLU 34 H GLU 34 -7.877 -3.152 3.347 251 HA GLU 34 HA GLU 34 -7.675 -5.691 4.806 252 HB2 GLU 34 2HB GLU 34 -10.096 -3.882 4.859 253 HB3 GLU 34 3HB GLU 34 -9.959 -5.453 5.630 254 HG2 GLU 34 2HG GLU 34 -8.204 -4.559 7.096 255 HG3 GLU 34 3HG GLU 34 -8.409 -2.977 6.342 256 H ILE 35 H ILE 35 -7.897 -7.233 3.272 257 HA ILE 35 HA ILE 35 -9.922 -6.744 1.182 258 HB ILE 35 HB ILE 35 -7.466 -8.500 1.014 259 HG12 ILE 35 2HG1 ILE 35 -8.210 -5.960 -0.454 260 HG13 ILE 35 3HG1 ILE 35 -6.994 -6.094 0.812 261 HG21 ILE 35 1HG2 ILE 35 -9.652 -8.009 -1.005 262 HG22 ILE 35 2HG2 ILE 35 -9.307 -9.525 -0.172 263 HG23 ILE 35 3HG2 ILE 35 -8.148 -8.868 -1.328 264 HD11 ILE 35 3HD1 ILE 35 -6.897 -7.426 -1.883 265 HD12 ILE 35 1HD1 ILE 35 -5.684 -7.586 -0.612 266 HD13 ILE 35 2HD1 ILE 35 -5.963 -6.018 -1.374 267 H LYS 36 H LYS 36 -11.727 -7.833 1.577 268 HA LYS 36 HA LYS 36 -11.564 -10.425 2.922 269 HB2 LYS 36 2HB LYS 36 -13.300 -8.845 3.697 270 HB3 LYS 36 3HB LYS 36 -13.998 -8.831 2.083 271 HG2 LYS 36 2HG LYS 36 -14.543 -11.186 2.267 272 HG3 LYS 36 3HG LYS 36 -13.779 -11.258 3.853 273 HD2 LYS 36 2HD LYS 36 -16.156 -9.535 3.154 274 HD3 LYS 36 3HD LYS 36 -16.249 -11.099 3.963 275 HE2 LYS 36 2HE LYS 36 -14.734 -10.121 5.739 276 HE3 LYS 36 3HE LYS 36 -15.012 -8.553 4.980 277 HZ1 LYS 36 3HZ LYS 36 -16.562 -8.807 6.760 278 HZ2 LYS 36 1HZ LYS 36 -17.054 -10.332 6.201 279 HZ3 LYS 36 2HZ LYS 36 -17.429 -8.945 5.310 280 HA PRO 37 HA PRO 37 -11.504 -12.143 -1.185 281 HB2 PRO 37 2HB PRO 37 -11.064 -14.704 -0.468 282 HB3 PRO 37 3HB PRO 37 -9.798 -13.474 -0.372 283 HG2 PRO 37 2HG PRO 37 -11.538 -14.576 1.796 284 HG3 PRO 37 3HG PRO 37 -9.799 -14.228 1.826 285 HD2 PRO 37 2HD PRO 37 -11.683 -12.557 2.883 286 HD3 PRO 37 3HD PRO 37 -10.130 -11.992 2.241 287 H SER 38 H SER 38 -12.777 -13.507 -2.482 288 HA SER 38 HA SER 38 -15.488 -13.840 -1.505 289 HB2 SER 38 2HB SER 38 -14.989 -12.889 -3.772 290 HB3 SER 38 3HB SER 38 -14.367 -14.465 -4.251 291 HG SER 38 HG SER 38 -16.501 -14.318 -4.902 292 H GLY 39 H GLY 39 -14.496 -15.469 0.061 293 HA2 GLY 39 2HA GLY 39 -14.676 -17.674 0.755 294 HA3 GLY 39 3HA GLY 39 -15.141 -18.117 -0.880 295 H ASN 40 H ASN 40 -12.700 -18.262 1.430 296 HA ASN 40 HA ASN 40 -10.606 -18.690 -0.580 297 HB2 ASN 40 2HB ASN 40 -10.052 -17.245 1.351 298 HB3 ASN 40 3HB ASN 40 -10.370 -18.596 2.437 299 HD21 ASN 40 1HD2 ASN 40 -8.175 -17.223 0.137 300 HD22 ASN 40 2HD2 ASN 40 -6.861 -18.311 0.426 301 H PHE 41 H PHE 41 -11.123 -20.660 -1.421 302 HA PHE 41 HA PHE 41 -10.908 -22.931 0.445 303 HB2 PHE 41 2HB PHE 41 -12.389 -22.899 -2.200 304 HB3 PHE 41 3HB PHE 41 -12.288 -24.249 -1.077 305 HD1 PHE 41 HD2 PHE 41 -13.401 -24.055 1.158 306 HD2 PHE 41 HD1 PHE 41 -14.010 -21.223 -1.959 307 HE1 PHE 41 HE2 PHE 41 -15.442 -23.265 2.279 308 HE2 PHE 41 HE1 PHE 41 -16.052 -20.425 -0.841 309 HZ PHE 41 HZ PHE 41 -16.770 -21.447 1.280 310 H ILE 42 H ILE 42 -10.836 -22.750 -3.083 311 HA ILE 42 HA ILE 42 -8.178 -23.972 -3.066 312 HB ILE 42 HB ILE 42 -9.931 -25.019 -4.477 313 HG12 ILE 42 2HG1 ILE 42 -7.662 -23.758 -6.036 314 HG13 ILE 42 3HG1 ILE 42 -7.575 -25.252 -5.109 315 HG21 ILE 42 1HG2 ILE 42 -11.219 -23.055 -5.045 316 HG22 ILE 42 2HG2 ILE 42 -10.687 -23.869 -6.517 317 HG23 ILE 42 3HG2 ILE 42 -9.869 -22.404 -5.972 318 HD11 ILE 42 3HD1 ILE 42 -9.286 -24.797 -7.543 319 HD12 ILE 42 1HD1 ILE 42 -9.166 -26.296 -6.625 320 HD13 ILE 42 2HD1 ILE 42 -7.762 -25.683 -7.497 321 H GLY 43 H GLY 43 -6.453 -23.026 -4.257 322 HA2 GLY 43 2HA GLY 43 -6.420 -20.911 -5.929 323 HA3 GLY 43 3HA GLY 43 -6.541 -20.145 -4.351 324 H THR 44 H THR 44 -4.558 -19.198 -4.442 325 HA THR 44 HA THR 44 -2.282 -21.014 -4.089 326 HB THR 44 HB THR 44 -2.295 -20.140 -6.438 327 HG1 THR 44 HG1 THR 44 -0.220 -20.374 -6.156 328 HG21 THR 44 3HG2 THR 44 -3.333 -17.961 -6.012 329 HG22 THR 44 1HG2 THR 44 -1.782 -17.776 -6.836 330 HG23 THR 44 2HG2 THR 44 -1.905 -17.456 -5.108 331 H VAL 45 H VAL 45 -0.359 -19.042 -3.701 332 HA VAL 45 HA VAL 45 -1.177 -18.003 -1.122 333 HB VAL 45 HB VAL 45 1.489 -17.696 -2.510 334 HG11 VAL 45 1HG1 VAL 45 2.328 -17.294 -0.226 335 HG12 VAL 45 2HG1 VAL 45 0.669 -17.358 0.372 336 HG13 VAL 45 3HG1 VAL 45 1.156 -16.081 -0.742 337 HG21 VAL 45 3HG2 VAL 45 0.635 -19.780 -0.501 338 HG22 VAL 45 1HG2 VAL 45 2.258 -19.579 -1.160 339 HG23 VAL 45 2HG2 VAL 45 0.931 -20.064 -2.217 340 H TYR 46 H TYR 46 -2.042 -16.070 -0.899 341 HA TYR 46 HA TYR 46 -2.443 -14.195 -2.910 342 HB2 TYR 46 2HB TYR 46 -3.821 -14.119 -0.973 343 HB3 TYR 46 3HB TYR 46 -2.435 -13.985 0.101 344 HD1 TYR 46 HD1 TYR 46 -4.117 -12.112 -2.669 345 HD2 TYR 46 HD2 TYR 46 -1.881 -11.925 0.945 346 HE1 TYR 46 HE1 TYR 46 -4.354 -9.662 -2.653 347 HE2 TYR 46 HE2 TYR 46 -2.102 -9.478 0.967 348 HH TYR 46 HH TYR 46 -4.284 -7.820 -0.996 349 H THR 47 H THR 47 -1.120 -12.817 -3.891 350 HA THR 47 HA THR 47 1.548 -12.422 -2.693 351 HB THR 47 HB THR 47 0.862 -12.379 -5.634 352 HG1 THR 47 HG1 THR 47 0.799 -14.476 -4.135 353 HG21 THR 47 3HG2 THR 47 3.292 -12.652 -5.913 354 HG22 THR 47 1HG2 THR 47 3.491 -12.570 -4.162 355 HG23 THR 47 2HG2 THR 47 2.897 -11.167 -5.048 356 H LEU 48 H LEU 48 2.377 -10.399 -2.542 357 HA LEU 48 HA LEU 48 0.888 -8.207 -3.804 358 HB2 LEU 48 2HB LEU 48 0.158 -8.323 -1.492 359 HB3 LEU 48 3HB LEU 48 1.818 -8.331 -0.935 360 HG LEU 48 HG LEU 48 2.126 -6.039 -1.591 361 HD11 LEU 48 1HD1 LEU 48 0.841 -6.058 -3.657 362 HD12 LEU 48 2HD1 LEU 48 0.335 -4.728 -2.612 363 HD13 LEU 48 3HD1 LEU 48 -0.657 -6.181 -2.736 364 HD21 LEU 48 3HD2 LEU 48 1.075 -6.394 0.567 365 HD22 LEU 48 1HD2 LEU 48 -0.516 -6.419 -0.191 366 HD23 LEU 48 2HD2 LEU 48 0.435 -4.935 -0.193 367 H ARG 49 H ARG 49 2.222 -7.258 -5.150 368 HA ARG 49 HA ARG 49 5.054 -7.000 -4.395 369 HB2 ARG 49 2HB ARG 49 5.461 -6.655 -6.850 370 HB3 ARG 49 3HB ARG 49 4.891 -8.260 -6.419 371 HG2 ARG 49 2HG ARG 49 2.590 -7.521 -7.076 372 HG3 ARG 49 3HG ARG 49 3.321 -6.038 -7.696 373 HD2 ARG 49 2HD ARG 49 4.055 -8.827 -8.579 374 HD3 ARG 49 3HD ARG 49 2.950 -7.758 -9.440 375 HE ARG 49 HE ARG 49 4.907 -6.216 -9.660 376 HH11 ARG 49 1HH1 ARG 49 5.344 -9.684 -9.301 377 HH12 ARG 49 2HH1 ARG 49 6.896 -9.686 -10.093 378 HH21 ARG 49 1HH2 ARG 49 6.940 -6.241 -10.716 379 HH22 ARG 49 2HH2 ARG 49 7.807 -7.740 -10.877 380 H TYR 50 H TYR 50 5.976 -5.022 -4.337 381 HA TYR 50 HA TYR 50 4.044 -2.806 -4.324 382 HB2 TYR 50 2HB TYR 50 6.717 -2.946 -2.917 383 HB3 TYR 50 3HB TYR 50 5.434 -1.768 -2.654 384 HD1 TYR 50 HD2 TYR 50 6.518 -5.215 -2.062 385 HD2 TYR 50 HD1 TYR 50 3.488 -2.325 -1.324 386 HE1 TYR 50 HE2 TYR 50 5.585 -6.656 -0.308 387 HE2 TYR 50 HE1 TYR 50 2.546 -3.759 0.438 388 HH TYR 50 HH TYR 50 2.529 -6.131 1.078 389 H PHE 51 H PHE 51 4.765 -0.697 -5.048 390 HA PHE 51 HA PHE 51 7.280 -0.558 -6.475 391 HB2 PHE 51 2HB PHE 51 4.971 -1.253 -7.884 392 HB3 PHE 51 3HB PHE 51 5.184 0.466 -8.204 393 HD1 PHE 51 HD2 PHE 51 7.335 1.266 -9.185 394 HD2 PHE 51 HD1 PHE 51 6.365 -2.865 -8.876 395 HE1 PHE 51 HE2 PHE 51 9.065 0.739 -10.851 396 HE2 PHE 51 HE1 PHE 51 8.094 -3.399 -10.543 397 HZ PHE 51 HZ PHE 51 9.446 -1.596 -11.532 398 H GLN 52 H GLN 52 8.157 1.327 -6.011 399 HA GLN 52 HA GLN 52 6.399 3.666 -5.668 400 HB2 GLN 52 2HB GLN 52 9.181 3.258 -4.547 401 HB3 GLN 52 3HB GLN 52 8.170 4.673 -4.305 402 HG2 GLN 52 2HG GLN 52 6.542 3.268 -3.107 403 HG3 GLN 52 3HG GLN 52 7.629 1.890 -3.297 404 HE21 GLN 52 1HE2 GLN 52 7.935 1.620 -1.096 405 HE22 GLN 52 2HE2 GLN 52 8.850 2.737 -0.143 406 HA PRO 53 HA PRO 53 8.909 4.322 -9.430 407 HB2 PRO 53 2HB PRO 53 6.939 4.993 -11.104 408 HB3 PRO 53 3HB PRO 53 7.200 3.314 -10.621 409 HG2 PRO 53 2HG PRO 53 5.126 5.245 -9.707 410 HG3 PRO 53 3HG PRO 53 5.005 3.494 -9.950 411 HD2 PRO 53 2HD PRO 53 5.397 4.812 -7.499 412 HD3 PRO 53 3HD PRO 53 5.606 3.079 -7.808 413 H ASP 54 H ASP 54 7.227 6.353 -7.409 414 HA ASP 54 HA ASP 54 8.295 8.722 -8.748 415 HB2 ASP 54 2HB ASP 54 5.969 8.610 -9.442 416 HB3 ASP 54 3HB ASP 54 5.449 8.422 -7.771 417 H GLY 55 H GLY 55 6.383 7.823 -5.866 418 HA2 GLY 55 2HA GLY 55 7.670 9.801 -4.236 419 HA3 GLY 55 3HA GLY 55 6.563 8.551 -3.681 420 H LYS 56 H LYS 56 8.595 9.073 -2.039 421 HA LYS 56 HA LYS 56 10.306 6.715 -2.345 422 HB2 LYS 56 2HB LYS 56 11.403 8.933 -3.155 423 HB3 LYS 56 3HB LYS 56 11.508 9.316 -1.443 424 HG2 LYS 56 2HG LYS 56 13.582 8.388 -2.008 425 HG3 LYS 56 3HG LYS 56 12.711 7.104 -1.163 426 HD2 LYS 56 2HD LYS 56 13.865 6.267 -3.166 427 HD3 LYS 56 3HD LYS 56 12.115 6.083 -3.294 428 HE2 LYS 56 2HE LYS 56 11.952 7.995 -4.728 429 HE3 LYS 56 3HE LYS 56 13.650 8.393 -4.470 430 HZ1 LYS 56 3HZ LYS 56 13.303 7.319 -6.601 431 HZ2 LYS 56 1HZ LYS 56 12.636 5.958 -5.841 432 HZ3 LYS 56 2HZ LYS 56 14.268 6.353 -5.597 433 H GLY 57 H GLY 57 10.446 5.605 -0.498 434 HA2 GLY 57 2HA GLY 57 10.858 6.610 2.047 435 HA3 GLY 57 3HA GLY 57 9.116 6.490 1.853 436 H SER 58 H SER 58 9.863 5.032 3.793 437 HA SER 58 HA SER 58 10.405 2.327 2.780 438 HB2 SER 58 2HB SER 58 10.667 3.387 5.605 439 HB3 SER 58 3HB SER 58 11.131 1.779 5.048 440 HG SER 58 HG SER 58 12.460 3.182 3.455 441 H LEU 59 H LEU 59 8.697 1.067 2.602 442 HA LEU 59 HA LEU 59 6.316 1.586 4.229 443 HB2 LEU 59 2HB LEU 59 6.136 1.364 1.733 444 HB3 LEU 59 3HB LEU 59 6.673 -0.296 1.887 445 HG LEU 59 HG LEU 59 4.664 -0.780 3.270 446 HD11 LEU 59 1HD1 LEU 59 3.845 2.005 2.464 447 HD12 LEU 59 2HD1 LEU 59 4.254 1.478 4.098 448 HD13 LEU 59 3HD1 LEU 59 2.829 0.823 3.290 449 HD21 LEU 59 3HD2 LEU 59 4.119 0.369 0.536 450 HD22 LEU 59 1HD2 LEU 59 3.081 -0.759 1.409 451 HD23 LEU 59 2HD2 LEU 59 4.687 -1.266 0.883 452 H LYS 60 H LYS 60 6.132 0.438 6.061 453 HA LYS 60 HA LYS 60 7.459 -2.196 6.159 454 HB2 LYS 60 2HB LYS 60 6.843 -0.323 8.448 455 HB3 LYS 60 3HB LYS 60 7.607 -1.898 8.592 456 HG2 LYS 60 2HG LYS 60 9.473 -1.037 7.175 457 HG3 LYS 60 3HG LYS 60 8.725 0.559 7.268 458 HD2 LYS 60 2HD LYS 60 9.738 -1.102 9.578 459 HD3 LYS 60 3HD LYS 60 10.453 0.386 8.954 460 HE2 LYS 60 2HE LYS 60 8.547 1.661 9.646 461 HE3 LYS 60 3HE LYS 60 7.673 0.199 10.099 462 HZ1 LYS 60 3HZ LYS 60 9.391 -0.203 11.797 463 HZ2 LYS 60 1HZ LYS 60 8.548 1.247 12.051 464 HZ3 LYS 60 2HZ LYS 60 10.113 1.280 11.404 465 H MET 61 H MET 61 6.490 -3.799 7.528 466 HA MET 61 HA MET 61 3.558 -3.685 7.573 467 HB2 MET 61 2HB MET 61 5.552 -5.945 7.700 468 HB3 MET 61 3HB MET 61 3.852 -6.182 8.071 469 HG2 MET 61 2HG MET 61 4.508 -4.876 5.499 470 HG3 MET 61 3HG MET 61 4.873 -6.593 5.656 471 HE1 MET 61 3HE MET 61 1.416 -8.158 6.424 472 HE2 MET 61 1HE MET 61 2.616 -7.626 7.599 473 HE3 MET 61 2HE MET 61 3.132 -8.444 6.126 474 H GLU 62 H GLU 62 2.824 -5.308 9.528 475 HA GLU 62 HA GLU 62 3.300 -3.915 11.931 476 HB2 GLU 62 2HB GLU 62 1.949 -6.485 11.214 477 HB3 GLU 62 3HB GLU 62 2.254 -6.123 12.907 478 HG2 GLU 62 2HG GLU 62 0.815 -4.226 11.077 479 HG3 GLU 62 3HG GLU 62 -0.010 -5.476 12.009 480 H ASP 63 H ASP 63 4.810 -6.721 10.497 481 HA ASP 63 HA ASP 63 6.363 -7.221 12.917 482 HB2 ASP 63 2HB ASP 63 6.151 -8.705 10.296 483 HB3 ASP 63 3HB ASP 63 7.300 -9.142 11.559 484 H GLY 64 H GLY 64 6.583 -4.997 10.669 485 HA2 GLY 64 2HA GLY 64 8.480 -3.644 10.274 486 HA3 GLY 64 3HA GLY 64 9.509 -5.022 10.656 487 H THR 65 H THR 65 10.717 -5.231 8.871 488 HA THR 65 HA THR 65 11.302 -5.836 6.771 489 HB THR 65 HB THR 65 8.376 -6.566 6.522 490 HG1 THR 65 HG1 THR 65 9.914 -7.790 7.929 491 HG21 THR 65 3HG2 THR 65 9.240 -6.044 4.306 492 HG22 THR 65 1HG2 THR 65 9.015 -7.785 4.479 493 HG23 THR 65 2HG2 THR 65 10.634 -7.089 4.581 494 H VAL 66 H VAL 66 11.985 -4.120 5.667 495 HA VAL 66 HA VAL 66 10.189 -2.054 4.794 496 HB VAL 66 HB VAL 66 13.056 -2.554 3.966 497 HG11 VAL 66 1HG1 VAL 66 13.046 -0.216 3.252 498 HG12 VAL 66 2HG1 VAL 66 11.340 -0.086 3.682 499 HG13 VAL 66 3HG1 VAL 66 11.840 -1.154 2.370 500 HG21 VAL 66 3HG2 VAL 66 11.943 -0.696 6.064 501 HG22 VAL 66 1HG2 VAL 66 13.637 -0.837 5.592 502 HG23 VAL 66 2HG2 VAL 66 12.823 -2.192 6.376 503 H LEU 67 H LEU 67 8.783 -2.466 3.274 504 HA LEU 67 HA LEU 67 9.030 -4.633 1.443 505 HB2 LEU 67 2HB LEU 67 7.053 -2.353 1.442 506 HB3 LEU 67 3HB LEU 67 6.860 -3.907 0.645 507 HG LEU 67 HG LEU 67 7.111 -3.585 3.638 508 HD11 LEU 67 1HD1 LEU 67 4.714 -3.950 3.761 509 HD12 LEU 67 2HD1 LEU 67 4.610 -3.950 1.998 510 HD13 LEU 67 3HD1 LEU 67 5.081 -2.482 2.856 511 HD21 LEU 67 3HD2 LEU 67 6.244 -5.913 1.931 512 HD22 LEU 67 1HD2 LEU 67 6.239 -5.869 3.694 513 HD23 LEU 67 2HD2 LEU 67 7.764 -5.772 2.813 514 H LYS 68 H LYS 68 10.085 -4.650 -0.384 515 HA LYS 68 HA LYS 68 11.195 -2.167 -1.421 516 HB2 LYS 68 2HB LYS 68 11.798 -5.030 -2.171 517 HB3 LYS 68 3HB LYS 68 12.710 -3.614 -2.671 518 HG2 LYS 68 2HG LYS 68 13.463 -3.228 -0.431 519 HG3 LYS 68 3HG LYS 68 12.405 -4.495 0.195 520 HD2 LYS 68 2HD LYS 68 14.686 -4.918 -1.737 521 HD3 LYS 68 3HD LYS 68 14.744 -5.239 -0.002 522 HE2 LYS 68 2HE LYS 68 13.073 -6.943 -0.200 523 HE3 LYS 68 3HE LYS 68 12.776 -6.527 -1.886 524 HZ1 LYS 68 3HZ LYS 68 14.138 -8.515 -1.671 525 HZ2 LYS 68 1HZ LYS 68 15.310 -7.642 -0.808 526 HZ3 LYS 68 2HZ LYS 68 15.001 -7.267 -2.434 527 HA PRO 69 HA PRO 69 8.538 -2.067 -5.025 528 HB2 PRO 69 2HB PRO 69 10.890 -0.847 -6.349 529 HB3 PRO 69 3HB PRO 69 9.254 -0.210 -6.156 530 HG2 PRO 69 2HG PRO 69 11.303 0.779 -4.749 531 HG3 PRO 69 3HG PRO 69 9.683 0.622 -4.043 532 HD2 PRO 69 2HD PRO 69 12.094 -1.111 -3.660 533 HD3 PRO 69 3HD PRO 69 10.889 -0.581 -2.469 534 H ASN 70 H ASN 70 8.238 -3.411 -6.702 535 HA ASN 70 HA ASN 70 8.599 -4.919 -8.366 536 HB2 ASN 70 2HB ASN 70 10.520 -3.572 -9.087 537 HB3 ASN 70 3HB ASN 70 11.543 -4.383 -7.911 538 HD21 ASN 70 1HD2 ASN 70 9.880 -4.670 -10.944 539 HD22 ASN 70 2HD2 ASN 70 10.689 -6.101 -11.479 540 H ASP 71 H ASP 71 9.623 -5.246 -5.190 541 HA ASP 71 HA ASP 71 10.480 -8.008 -5.455 542 HB2 ASP 71 2HB ASP 71 11.499 -6.375 -3.793 543 HB3 ASP 71 3HB ASP 71 10.000 -6.513 -2.880 544 H ARG 72 H ARG 72 9.359 -9.771 -4.756 545 HA ARG 72 HA ARG 72 6.466 -9.365 -4.549 546 HB2 ARG 72 2HB ARG 72 8.159 -11.735 -5.322 547 HB3 ARG 72 3HB ARG 72 6.429 -11.858 -5.031 548 HG2 ARG 72 2HG ARG 72 5.912 -10.509 -6.877 549 HG3 ARG 72 3HG ARG 72 7.573 -9.929 -7.020 550 HD2 ARG 72 2HD ARG 72 6.764 -12.804 -7.402 551 HD3 ARG 72 3HD ARG 72 6.888 -11.639 -8.722 552 HE ARG 72 HE ARG 72 9.295 -11.374 -7.754 553 HH11 ARG 72 1HH1 ARG 72 7.472 -14.358 -7.990 554 HH12 ARG 72 2HH1 ARG 72 8.884 -15.340 -8.234 555 HH21 ARG 72 1HH2 ARG 72 11.151 -12.675 -8.039 556 HH22 ARG 72 2HH2 ARG 72 10.967 -14.390 -8.283 557 H TYR 73 H TYR 73 5.776 -9.239 -2.513 558 HA TYR 73 HA TYR 73 6.815 -11.184 -0.578 559 HB2 TYR 73 2HB TYR 73 5.363 -8.566 -0.223 560 HB3 TYR 73 3HB TYR 73 5.508 -9.732 1.089 561 HD1 TYR 73 HD2 TYR 73 7.757 -10.331 1.948 562 HD2 TYR 73 HD1 TYR 73 7.187 -7.160 -0.825 563 HE1 TYR 73 HE2 TYR 73 9.971 -9.441 2.522 564 HE2 TYR 73 HE1 TYR 73 9.402 -6.260 -0.256 565 HH TYR 73 HH TYR 73 10.995 -6.352 1.664 566 H LEU 74 H LEU 74 5.219 -12.228 0.825 567 HA LEU 74 HA LEU 74 2.675 -12.679 -0.554 568 HB2 LEU 74 2HB LEU 74 2.852 -15.075 -0.134 569 HB3 LEU 74 3HB LEU 74 4.151 -14.508 -1.161 570 HG LEU 74 HG LEU 74 4.557 -14.913 1.800 571 HD11 LEU 74 1HD1 LEU 74 4.863 -16.942 -0.409 572 HD12 LEU 74 2HD1 LEU 74 3.724 -17.013 0.937 573 HD13 LEU 74 3HD1 LEU 74 5.456 -17.137 1.240 574 HD21 LEU 74 3HD2 LEU 74 6.274 -13.637 0.614 575 HD22 LEU 74 1HD2 LEU 74 6.443 -14.940 -0.561 576 HD23 LEU 74 2HD2 LEU 74 6.895 -15.205 1.124 577 H LEU 75 H LEU 75 0.930 -12.855 0.729 578 HA LEU 75 HA LEU 75 1.419 -12.744 3.631 579 HB2 LEU 75 2HB LEU 75 -0.571 -11.150 2.018 580 HB3 LEU 75 3HB LEU 75 -0.594 -11.253 3.766 581 HG LEU 75 HG LEU 75 1.805 -10.302 3.658 582 HD11 LEU 75 1HD1 LEU 75 2.296 -8.921 1.723 583 HD12 LEU 75 2HD1 LEU 75 0.822 -9.479 0.931 584 HD13 LEU 75 3HD1 LEU 75 2.135 -10.613 1.250 585 HD21 LEU 75 3HD2 LEU 75 -0.587 -8.637 2.901 586 HD22 LEU 75 1HD2 LEU 75 0.933 -8.004 3.528 587 HD23 LEU 75 2HD2 LEU 75 -0.065 -9.055 4.533 588 H ASN 76 H ASN 76 0.247 -14.095 4.855 589 HA ASN 76 HA ASN 76 -1.820 -15.708 3.567 590 HB2 ASN 76 2HB ASN 76 -0.699 -15.955 6.370 591 HB3 ASN 76 3HB ASN 76 -1.722 -17.124 5.546 592 HD21 ASN 76 1HD2 ASN 76 -0.838 -18.313 3.782 593 HD22 ASN 76 2HD2 ASN 76 0.881 -18.522 3.642 594 H GLU 77 H GLU 77 -1.445 -13.004 5.563 595 HA GLU 77 HA GLU 77 -4.123 -13.153 6.695 596 HB2 GLU 77 2HB GLU 77 -1.885 -11.144 6.996 597 HB3 GLU 77 3HB GLU 77 -3.472 -10.943 7.725 598 HG2 GLU 77 2HG GLU 77 -1.661 -13.288 8.250 599 HG3 GLU 77 3HG GLU 77 -1.738 -11.843 9.259 600 H TRP 78 H TRP 78 -5.806 -11.873 6.071 601 HA TRP 78 HA TRP 78 -5.459 -10.556 3.477 602 HB2 TRP 78 2HB TRP 78 -7.913 -11.550 4.926 603 HB3 TRP 78 3HB TRP 78 -7.976 -10.644 3.419 604 HD1 TRP 78 HD1 TRP 78 -7.115 -14.083 4.807 605 HE1 TRP 78 HE1 TRP 78 -6.805 -15.719 2.842 606 HE3 TRP 78 HE3 TRP 78 -7.254 -10.743 0.936 607 HZ2 TRP 78 HZ2 TRP 78 -6.645 -15.607 0.021 608 HZ3 TRP 78 HZ3 TRP 78 -7.011 -11.588 -1.362 609 HH2 TRP 78 HH2 TRP 78 -6.712 -13.966 -1.810 610 H LYS 79 H LYS 79 -5.906 -9.816 6.765 611 HA LYS 79 HA LYS 79 -6.435 -7.007 6.043 612 HB2 LYS 79 2HB LYS 79 -7.285 -8.523 8.521 613 HB3 LYS 79 3HB LYS 79 -7.347 -6.771 8.393 614 HG2 LYS 79 2HG LYS 79 -8.920 -6.944 6.544 615 HG3 LYS 79 3HG LYS 79 -8.841 -8.705 6.635 616 HD2 LYS 79 2HD LYS 79 -9.823 -8.698 8.825 617 HD3 LYS 79 3HD LYS 79 -9.729 -6.939 8.912 618 HE2 LYS 79 2HE LYS 79 -11.381 -8.489 6.917 619 HE3 LYS 79 3HE LYS 79 -12.007 -7.772 8.400 620 HZ1 LYS 79 3HZ LYS 79 -10.812 -6.326 6.104 621 HZ2 LYS 79 1HZ LYS 79 -11.251 -5.593 7.564 622 HZ3 LYS 79 2HZ LYS 79 -12.435 -6.296 6.572 623 H PHE 80 H PHE 80 -4.855 -5.617 6.565 624 HA PHE 80 HA PHE 80 -2.984 -6.242 8.681 625 HB2 PHE 80 2HB PHE 80 -1.005 -6.081 7.143 626 HB3 PHE 80 3HB PHE 80 -1.966 -7.541 6.954 627 HD1 PHE 80 HD2 PHE 80 -3.410 -7.826 4.977 628 HD2 PHE 80 HD1 PHE 80 -0.790 -4.495 5.375 629 HE1 PHE 80 HE2 PHE 80 -3.613 -7.382 2.566 630 HE2 PHE 80 HE1 PHE 80 -0.990 -4.048 2.963 631 HZ PHE 80 HZ PHE 80 -2.402 -5.494 1.557 632 H ARG 81 H ARG 81 -1.109 -4.547 8.568 633 HA ARG 81 HA ARG 81 -2.255 -1.925 7.916 634 HB2 ARG 81 2HB ARG 81 -2.546 -2.602 10.359 635 HB3 ARG 81 3HB ARG 81 -0.795 -2.540 10.487 636 HG2 ARG 81 2HG ARG 81 -0.822 -0.176 9.921 637 HG3 ARG 81 3HG ARG 81 -2.580 -0.226 9.752 638 HD2 ARG 81 2HD ARG 81 -2.686 -1.026 12.126 639 HD3 ARG 81 3HD ARG 81 -0.958 -0.703 12.244 640 HE ARG 81 HE ARG 81 -2.629 1.519 11.406 641 HH11 ARG 81 1HH1 ARG 81 -0.889 -0.080 13.979 642 HH12 ARG 81 2HH1 ARG 81 -0.956 1.288 15.054 643 HH21 ARG 81 1HH2 ARG 81 -2.716 3.330 12.812 644 HH22 ARG 81 2HH2 ARG 81 -1.973 3.218 14.382 645 H LEU 82 H LEU 82 -0.844 -0.624 6.908 646 HA LEU 82 HA LEU 82 1.972 -1.489 6.795 647 HB2 LEU 82 2HB LEU 82 0.350 0.083 4.785 648 HB3 LEU 82 3HB LEU 82 2.052 -0.304 4.619 649 HG LEU 82 HG LEU 82 -0.183 -2.331 4.715 650 HD11 LEU 82 1HD1 LEU 82 -0.256 -1.009 2.671 651 HD12 LEU 82 2HD1 LEU 82 0.301 -2.648 2.337 652 HD13 LEU 82 3HD1 LEU 82 1.458 -1.319 2.396 653 HD21 LEU 82 3HD2 LEU 82 2.763 -2.631 4.155 654 HD22 LEU 82 1HD2 LEU 82 1.554 -3.905 4.010 655 HD23 LEU 82 2HD2 LEU 82 1.910 -3.204 5.589 656 H TYR 83 H TYR 83 3.594 0.038 6.972 657 HA TYR 83 HA TYR 83 2.736 2.723 7.858 658 HB2 TYR 83 2HB TYR 83 5.124 1.145 8.851 659 HB3 TYR 83 3HB TYR 83 4.653 2.755 9.386 660 HD1 TYR 83 HD1 TYR 83 3.853 -0.820 9.529 661 HD2 TYR 83 HD2 TYR 83 2.797 3.064 10.913 662 HE1 TYR 83 HE1 TYR 83 2.439 -1.829 11.265 663 HE2 TYR 83 HE2 TYR 83 1.381 2.064 12.656 664 HH TYR 83 HH TYR 83 1.388 -1.383 13.271 665 H TYR 84 H TYR 84 3.185 4.046 6.210 666 HA TYR 84 HA TYR 84 5.636 3.587 4.663 667 HB2 TYR 84 2HB TYR 84 3.512 3.746 3.399 668 HB3 TYR 84 3HB TYR 84 3.268 5.370 4.034 669 HD1 TYR 84 HD1 TYR 84 5.798 3.375 2.149 670 HD2 TYR 84 HD2 TYR 84 3.971 7.168 2.755 671 HE1 TYR 84 HE1 TYR 84 7.071 4.283 0.250 672 HE2 TYR 84 HE2 TYR 84 5.241 8.093 0.863 673 HH TYR 84 HH TYR 84 7.007 6.098 -1.319 674 H THR 85 H THR 85 7.265 4.554 5.727 675 HA THR 85 HA THR 85 6.924 7.288 6.698 676 HB THR 85 HB THR 85 9.327 5.463 6.925 677 HG1 THR 85 HG1 THR 85 7.379 6.122 8.913 678 HG21 THR 85 3HG2 THR 85 9.847 7.870 7.111 679 HG22 THR 85 1HG2 THR 85 10.088 7.017 8.636 680 HG23 THR 85 2HG2 THR 85 8.651 8.011 8.400 681 H SER 86 H SER 86 7.303 8.894 5.335 682 HA SER 86 HA SER 86 8.473 8.489 2.785 683 HB2 SER 86 2HB SER 86 8.263 11.006 2.631 684 HB3 SER 86 3HB SER 86 6.768 10.147 3.001 685 HG SER 86 HG SER 86 7.184 12.030 4.328 686 H GLN 87 H GLN 87 10.447 8.917 2.004 687 HA GLN 87 HA GLN 87 12.470 9.957 3.884 688 HB2 GLN 87 2HB GLN 87 12.774 7.993 1.609 689 HB3 GLN 87 3HB GLN 87 14.127 8.707 2.474 690 HG2 GLN 87 2HG GLN 87 13.329 7.688 4.551 691 HG3 GLN 87 3HG GLN 87 11.985 6.963 3.670 692 HE21 GLN 87 1HE2 GLN 87 13.656 6.458 1.311 693 HE22 GLN 87 2HE2 GLN 87 14.625 5.086 1.719 694 H SER 88 H SER 88 10.630 11.294 1.945 695 HA SER 88 HA SER 88 12.684 12.879 0.600 696 HB2 SER 88 2HB SER 88 11.592 11.223 -1.008 697 HB3 SER 88 3HB SER 88 10.095 12.121 -0.770 698 HG SER 88 HG SER 88 10.966 13.088 -2.494 699 H ASP 89 H ASP 89 11.897 15.048 0.059 700 HA ASP 89 HA ASP 89 10.526 16.127 2.309 701 HB2 ASP 89 2HB ASP 89 12.408 17.269 1.135 702 HB3 ASP 89 3HB ASP 89 11.341 17.542 -0.239 703 H LYS 90 H LYS 90 8.757 17.788 2.014 704 HA LYS 90 HA LYS 90 6.452 16.463 1.179 705 HB2 LYS 90 2HB LYS 90 5.281 18.601 1.572 706 HB3 LYS 90 3HB LYS 90 6.352 18.156 2.892 707 HG2 LYS 90 2HG LYS 90 8.031 19.741 2.043 708 HG3 LYS 90 3HG LYS 90 6.917 20.203 0.754 709 HD2 LYS 90 2HD LYS 90 6.482 20.540 3.721 710 HD3 LYS 90 3HD LYS 90 6.812 21.819 2.549 711 HE2 LYS 90 2HE LYS 90 4.715 21.308 1.405 712 HE3 LYS 90 3HE LYS 90 4.382 20.034 2.577 713 HZ1 LYS 90 3HZ LYS 90 4.525 22.954 3.079 714 HZ2 LYS 90 1HZ LYS 90 4.468 21.797 4.318 715 HZ3 LYS 90 2HZ LYS 90 3.177 21.940 3.236 716 H GLU 91 H GLU 91 5.908 15.960 -0.782 717 HA GLU 91 HA GLU 91 5.405 17.884 -2.793 718 HB2 GLU 91 2HB GLU 91 7.920 17.618 -2.965 719 HB3 GLU 91 3HB GLU 91 7.648 15.934 -3.392 720 HG2 GLU 91 2HG GLU 91 6.390 16.649 -5.369 721 HG3 GLU 91 3HG GLU 91 6.680 18.335 -4.935 722 H ALA 92 H ALA 92 4.619 16.706 -4.816 723 HA ALA 92 HA ALA 92 2.784 14.704 -4.098 724 HB1 ALA 92 3HB ALA 92 3.770 15.483 -6.839 725 HB2 ALA 92 1HB ALA 92 2.395 16.184 -5.983 726 HB3 ALA 92 2HB ALA 92 2.344 14.501 -6.504 727 H GLN 93 H GLN 93 3.266 12.713 -3.539 728 HA GLN 93 HA GLN 93 5.428 11.317 -4.969 729 HB2 GLN 93 2HB GLN 93 4.670 11.070 -2.050 730 HB3 GLN 93 3HB GLN 93 5.850 10.055 -2.873 731 HG2 GLN 93 2HG GLN 93 7.192 12.068 -3.355 732 HG3 GLN 93 3HG GLN 93 6.034 13.029 -2.438 733 HE21 GLN 93 1HE2 GLN 93 7.560 13.673 -0.943 734 HE22 GLN 93 2HE2 GLN 93 8.202 12.598 0.248 735 H THR 94 H THR 94 4.683 9.700 -6.136 736 HA THR 94 HA THR 94 2.048 8.586 -5.458 737 HB THR 94 HB THR 94 3.529 8.325 -8.074 738 HG1 THR 94 HG1 THR 94 3.127 10.548 -7.520 739 HG21 THR 94 3HG2 THR 94 1.720 6.722 -7.758 740 HG22 THR 94 1HG2 THR 94 1.266 7.920 -8.972 741 HG23 THR 94 2HG2 THR 94 0.613 8.029 -7.336 742 H ILE 95 H ILE 95 1.864 6.552 -4.761 743 HA ILE 95 HA ILE 95 3.996 4.632 -5.458 744 HB ILE 95 HB ILE 95 3.473 3.355 -3.434 745 HG12 ILE 95 2HG1 ILE 95 1.670 5.651 -2.636 746 HG13 ILE 95 3HG1 ILE 95 1.086 4.112 -3.264 747 HG21 ILE 95 1HG2 ILE 95 4.387 4.924 -1.766 748 HG22 ILE 95 2HG2 ILE 95 4.111 6.251 -2.895 749 HG23 ILE 95 3HG2 ILE 95 5.257 4.972 -3.301 750 HD11 ILE 95 3HD1 ILE 95 0.948 4.227 -0.831 751 HD12 ILE 95 1HD1 ILE 95 2.692 4.477 -0.744 752 HD13 ILE 95 2HD1 ILE 95 2.048 2.954 -1.361 753 H ASP 96 H ASP 96 3.317 2.524 -6.055 754 HA ASP 96 HA ASP 96 0.447 2.302 -6.698 755 HB2 ASP 96 2HB ASP 96 2.069 2.930 -8.647 756 HB3 ASP 96 3HB ASP 96 2.567 1.246 -8.554 757 H LEU 97 H LEU 97 -0.348 0.588 -5.658 758 HA LEU 97 HA LEU 97 1.514 -1.552 -4.882 759 HB2 LEU 97 2HB LEU 97 -1.219 -0.889 -3.780 760 HB3 LEU 97 3HB LEU 97 -0.143 -2.130 -3.173 761 HG LEU 97 HG LEU 97 0.404 0.838 -3.122 762 HD11 LEU 97 1HD1 LEU 97 0.115 0.628 -0.709 763 HD12 LEU 97 2HD1 LEU 97 -0.301 -1.075 -0.901 764 HD13 LEU 97 3HD1 LEU 97 -1.355 0.171 -1.567 765 HD21 LEU 97 3HD2 LEU 97 1.972 -1.473 -1.980 766 HD22 LEU 97 1HD2 LEU 97 2.334 0.237 -1.741 767 HD23 LEU 97 2HD2 LEU 97 2.450 -0.473 -3.351 768 H TYR 98 H TYR 98 1.402 -3.455 -5.873 769 HA TYR 98 HA TYR 98 -0.921 -3.974 -7.591 770 HB2 TYR 98 2HB TYR 98 1.867 -5.147 -7.668 771 HB3 TYR 98 3HB TYR 98 0.575 -5.526 -8.799 772 HD1 TYR 98 HD2 TYR 98 -0.279 -3.761 -10.328 773 HD2 TYR 98 HD1 TYR 98 3.170 -3.173 -7.911 774 HE1 TYR 98 HE2 TYR 98 0.372 -1.851 -11.729 775 HE2 TYR 98 HE1 TYR 98 3.823 -1.253 -9.296 776 HH TYR 98 HH TYR 98 1.857 0.373 -11.193 777 H PHE 99 H PHE 99 -2.392 -5.067 -6.454 778 HA PHE 99 HA PHE 99 -1.580 -7.202 -4.641 779 HB2 PHE 99 2HB PHE 99 -4.344 -6.133 -5.272 780 HB3 PHE 99 3HB PHE 99 -3.932 -7.241 -3.969 781 HD1 PHE 99 HD1 PHE 99 -3.696 -3.773 -5.152 782 HD2 PHE 99 HD2 PHE 99 -2.956 -6.456 -1.936 783 HE1 PHE 99 HE1 PHE 99 -3.333 -1.864 -3.647 784 HE2 PHE 99 HE2 PHE 99 -2.591 -4.552 -0.423 785 HZ PHE 99 HZ PHE 99 -2.777 -2.249 -1.280 786 H GLU 100 H GLU 100 -1.451 -9.250 -5.332 787 HA GLU 100 HA GLU 100 -2.977 -9.983 -7.739 788 HB2 GLU 100 2HB GLU 100 -0.472 -10.207 -7.823 789 HB3 GLU 100 3HB GLU 100 -0.595 -11.434 -6.571 790 HG2 GLU 100 2HG GLU 100 -1.924 -12.834 -8.037 791 HG3 GLU 100 3HG GLU 100 -1.888 -11.588 -9.283 792 H ASP 101 H ASP 101 -4.628 -11.285 -7.516 793 HA ASP 101 HA ASP 101 -5.504 -12.146 -4.953 794 HB2 ASP 101 2HB ASP 101 -7.007 -11.466 -6.833 795 HB3 ASP 101 3HB ASP 101 -6.537 -12.930 -7.688 796 H ASN 102 H ASN 102 -5.287 -14.191 -7.806 797 HA ASN 102 HA ASN 102 -3.745 -16.219 -6.443 798 HB2 ASN 102 2HB ASN 102 -6.632 -16.641 -7.238 799 HB3 ASN 102 3HB ASN 102 -5.506 -17.979 -7.051 800 HD21 ASN 102 1HD2 ASN 102 -7.393 -15.564 -5.436 801 HD22 ASN 102 2HD2 ASN 102 -7.139 -16.163 -3.830 802 H TRP 103 H TRP 103 -2.218 -16.123 -7.993 803 HA TRP 103 HA TRP 103 -1.133 -16.591 -9.923 804 HB2 TRP 103 2HB TRP 103 -3.752 -17.820 -10.817 805 HB3 TRP 103 3HB TRP 103 -2.232 -17.930 -11.703 806 HD1 TRP 103 HD1 TRP 103 -0.147 -18.968 -9.888 807 HE1 TRP 103 HE1 TRP 103 -0.342 -21.147 -8.527 808 HE3 TRP 103 HE3 TRP 103 -5.234 -19.438 -9.860 809 HZ2 TRP 103 HZ2 TRP 103 -2.397 -22.839 -7.578 810 HZ3 TRP 103 HZ3 TRP 103 -6.234 -21.366 -8.709 811 HH2 TRP 103 HH2 TRP 103 -4.843 -23.032 -7.591 812 H GLY 104 H GLY 104 -4.449 -15.677 -10.848 813 HA2 GLY 104 2HA GLY 104 -3.271 -13.465 -12.411 814 HA3 GLY 104 3HA GLY 104 -4.769 -14.281 -12.844 815 H ASN 105 H ASN 105 -5.754 -12.179 -12.847 816 HA ASN 105 HA ASN 105 -7.062 -10.544 -11.975 817 HB2 ASN 105 2HB ASN 105 -7.059 -12.375 -9.567 818 HB3 ASN 105 3HB ASN 105 -8.041 -10.919 -9.679 819 HD21 ASN 105 1HD2 ASN 105 -8.816 -13.742 -9.435 820 HD22 ASN 105 2HD2 ASN 105 -9.854 -14.058 -10.786 821 H LEU 106 H LEU 106 -4.942 -9.382 -12.176 822 HA LEU 106 HA LEU 106 -3.757 -8.620 -9.632 823 HB2 LEU 106 2HB LEU 106 -2.339 -8.986 -11.621 824 HB3 LEU 106 3HB LEU 106 -3.162 -7.673 -12.439 825 HG LEU 106 HG LEU 106 -2.313 -6.121 -10.668 826 HD11 LEU 106 1HD1 LEU 106 -1.940 -7.745 -8.902 827 HD12 LEU 106 2HD1 LEU 106 -0.446 -6.889 -9.283 828 HD13 LEU 106 3HD1 LEU 106 -0.693 -8.533 -9.869 829 HD21 LEU 106 3HD2 LEU 106 -1.211 -6.353 -12.846 830 HD22 LEU 106 1HD2 LEU 106 -0.206 -7.644 -12.190 831 HD23 LEU 106 2HD2 LEU 106 -0.059 -6.004 -11.557 832 H GLN 107 H GLN 107 -4.453 -6.966 -8.482 833 HA GLN 107 HA GLN 107 -5.932 -4.808 -9.847 834 HB2 GLN 107 2HB GLN 107 -6.362 -5.961 -7.084 835 HB3 GLN 107 3HB GLN 107 -7.112 -4.477 -7.650 836 HG2 GLN 107 2HG GLN 107 -7.483 -7.194 -8.890 837 HG3 GLN 107 3HG GLN 107 -8.611 -6.408 -7.787 838 HE21 GLN 107 1HE2 GLN 107 -8.987 -7.288 -10.543 839 HE22 GLN 107 2HE2 GLN 107 -9.483 -5.888 -11.429 840 H GLN 108 H GLN 108 -4.839 -2.965 -9.828 841 HA GLN 108 HA GLN 108 -2.762 -2.636 -7.777 842 HB2 GLN 108 2HB GLN 108 -1.642 -1.130 -9.302 843 HB3 GLN 108 3HB GLN 108 -1.983 -2.649 -10.113 844 HG2 GLN 108 2HG GLN 108 -4.004 -1.534 -11.112 845 HG3 GLN 108 3HG GLN 108 -3.385 -0.017 -10.466 846 HE21 GLN 108 1HE2 GLN 108 -1.399 0.783 -11.257 847 HE22 GLN 108 2HE2 GLN 108 -0.811 0.315 -12.816 848 H LEU 109 H LEU 109 -2.935 -1.118 -6.299 849 HA LEU 109 HA LEU 109 -4.980 0.967 -6.680 850 HB2 LEU 109 2HB LEU 109 -3.819 -0.159 -4.128 851 HB3 LEU 109 3HB LEU 109 -4.919 1.203 -4.196 852 HG LEU 109 HG LEU 109 -5.554 -1.631 -5.027 853 HD11 LEU 109 1HD1 LEU 109 -7.098 -1.572 -3.120 854 HD12 LEU 109 2HD1 LEU 109 -6.496 0.031 -2.694 855 HD13 LEU 109 3HD1 LEU 109 -5.421 -1.366 -2.619 856 HD21 LEU 109 3HD2 LEU 109 -7.309 0.822 -4.997 857 HD22 LEU 109 1HD2 LEU 109 -7.837 -0.823 -5.346 858 HD23 LEU 109 2HD2 LEU 109 -6.715 -0.008 -6.435 859 H THR 110 H THR 110 -4.100 2.754 -7.378 860 HA THR 110 HA THR 110 -1.357 3.444 -6.685 861 HB THR 110 HB THR 110 -3.215 4.945 -8.536 862 HG1 THR 110 HG1 THR 110 -1.633 2.614 -8.970 863 HG21 THR 110 3HG2 THR 110 -0.200 4.742 -8.409 864 HG22 THR 110 1HG2 THR 110 -1.166 6.119 -7.864 865 HG23 THR 110 2HG2 THR 110 -1.125 5.689 -9.573 866 H TYR 111 H TYR 111 -0.910 4.839 -5.111 867 HA TYR 111 HA TYR 111 -3.054 6.645 -4.204 868 HB2 TYR 111 2HB TYR 111 -0.911 5.246 -2.599 869 HB3 TYR 111 3HB TYR 111 -1.885 6.566 -1.959 870 HD1 TYR 111 HD2 TYR 111 -4.415 6.257 -1.900 871 HD2 TYR 111 HD1 TYR 111 -1.715 3.034 -2.537 872 HE1 TYR 111 HE2 TYR 111 -6.172 4.664 -1.245 873 HE2 TYR 111 HE1 TYR 111 -3.463 1.432 -1.881 874 HH TYR 111 HH TYR 111 -6.725 2.262 -1.644 875 H ASP 112 H ASP 112 -2.654 8.634 -4.825 876 HA ASP 112 HA ASP 112 0.075 9.589 -5.165 877 HB2 ASP 112 2HB ASP 112 -2.443 11.209 -5.563 878 HB3 ASP 112 3HB ASP 112 -0.859 11.479 -6.272 879 H PHE 113 H PHE 113 1.106 10.597 -3.550 880 HA PHE 113 HA PHE 113 -0.482 11.593 -1.298 881 HB2 PHE 113 2HB PHE 113 2.460 10.968 -1.587 882 HB3 PHE 113 3HB PHE 113 1.781 11.759 -0.167 883 HD1 PHE 113 HD2 PHE 113 0.098 10.540 1.215 884 HD2 PHE 113 HD1 PHE 113 2.331 8.642 -1.866 885 HE1 PHE 113 HE2 PHE 113 -0.434 8.344 2.188 886 HE2 PHE 113 HE1 PHE 113 1.805 6.442 -0.900 887 HZ PHE 113 HZ PHE 113 0.423 6.291 1.133 888 H ASN 114 H ASN 114 -0.303 13.649 -0.526 889 HA ASN 114 HA ASN 114 -0.049 15.894 -0.530 890 HB2 ASN 114 2HB ASN 114 2.394 15.379 -0.957 891 HB3 ASN 114 3HB ASN 114 2.064 15.618 -2.668 892 HD21 ASN 114 1HD2 ASN 114 0.625 17.438 -0.026 893 HD22 ASN 114 2HD2 ASN 114 1.357 18.950 -0.431 894 H GLY 115 H GLY 115 -1.239 14.096 -2.932 895 HA2 GLY 115 2HA GLY 115 -3.131 14.652 -4.166 896 HA3 GLY 115 3HA GLY 115 -2.801 16.349 -3.862 897 H LYS 116 H LYS 116 -2.264 17.483 -5.544 898 HA LYS 116 HA LYS 116 -1.524 18.145 -7.567 899 HB2 LYS 116 2HB LYS 116 0.627 17.113 -6.892 900 HB3 LYS 116 3HB LYS 116 0.101 15.593 -7.607 901 HG2 LYS 116 2HG LYS 116 -0.032 16.695 -9.800 902 HG3 LYS 116 3HG LYS 116 0.551 18.191 -9.069 903 HD2 LYS 116 2HD LYS 116 2.629 17.091 -8.443 904 HD3 LYS 116 3HD LYS 116 2.048 15.573 -9.127 905 HE2 LYS 116 2HE LYS 116 3.532 16.624 -10.700 906 HE3 LYS 116 3HE LYS 116 1.889 16.678 -11.337 907 HZ1 LYS 116 3HZ LYS 116 3.470 18.893 -10.165 908 HZ2 LYS 116 1HZ LYS 116 1.790 18.995 -10.368 909 HZ3 LYS 116 2HZ LYS 116 2.787 18.789 -11.715 910 H LEU 117 H LEU 117 -1.906 17.841 -9.819 911 HA LEU 117 HA LEU 117 -4.071 15.931 -10.271 912 HB2 LEU 117 2HB LEU 117 -3.200 18.430 -11.708 913 HB3 LEU 117 3HB LEU 117 -4.373 17.327 -12.396 914 HG LEU 117 HG LEU 117 -5.565 19.137 -11.390 915 HD11 LEU 117 1HD1 LEU 117 -6.586 16.957 -11.117 916 HD12 LEU 117 2HD1 LEU 117 -6.937 17.987 -9.730 917 HD13 LEU 117 3HD1 LEU 117 -5.717 16.720 -9.600 918 HD21 LEU 117 3HD2 LEU 117 -5.359 19.724 -9.024 919 HD22 LEU 117 1HD2 LEU 117 -3.840 19.963 -9.889 920 HD23 LEU 117 2HD2 LEU 117 -4.050 18.552 -8.850 921 H GLU 118 H GLU 118 -1.600 14.723 -10.197 922 HA GLU 118 HA GLU 118 -0.581 14.488 -12.892 923 HB2 GLU 118 2HB GLU 118 0.623 14.172 -10.501 924 HB3 GLU 118 3HB GLU 118 0.210 12.497 -10.843 925 HG2 GLU 118 2HG GLU 118 2.000 14.337 -12.391 926 HG3 GLU 118 3HG GLU 118 2.381 12.779 -11.665 927 H HIS 119 H HIS 119 -2.937 13.924 -13.422 928 HA HIS 119 HA HIS 119 -2.945 11.111 -14.067 929 HB2 HIS 119 2HB HIS 119 -5.094 12.334 -12.339 930 HB3 HIS 119 3HB HIS 119 -5.441 10.970 -13.394 931 HD1 HIS 119 HD1 HIS 119 -3.952 8.742 -12.881 932 HD2 HIS 119 HD2 HIS 119 -4.075 11.664 -9.917 933 HE1 HIS 119 HE1 HIS 119 -3.195 7.604 -10.770 934 HE2 HIS 119 HE2 HIS 119 -3.134 9.423 -9.019 935 H HIS 120 H HIS 120 -5.294 10.831 -15.341 936 HA HIS 120 HA HIS 120 -4.902 12.642 -17.537 937 HB2 HIS 120 2HB HIS 120 -5.448 10.214 -17.848 938 HB3 HIS 120 3HB HIS 120 -7.072 10.555 -17.255 939 HD1 HIS 120 HD1 HIS 120 -8.740 11.148 -19.004 940 HD2 HIS 120 HD2 HIS 120 -4.834 11.829 -20.269 941 HE1 HIS 120 HE1 HIS 120 -8.919 11.885 -21.400 942 HE2 HIS 120 HE2 HIS 120 -6.544 12.133 -22.195 943 H HIS 121 H HIS 121 -5.419 14.567 -16.281 944 HA HIS 121 HA HIS 121 -8.106 15.206 -15.607 945 HB2 HIS 121 2HB HIS 121 -6.031 16.447 -14.849 946 HB3 HIS 121 3HB HIS 121 -5.903 17.104 -16.475 947 HD1 HIS 121 HD1 HIS 121 -6.348 19.521 -16.012 948 HD2 HIS 121 HD2 HIS 121 -9.239 17.013 -14.366 949 HE1 HIS 121 HE1 HIS 121 -8.162 21.037 -15.152 950 HE2 HIS 121 HE2 HIS 121 -9.795 19.512 -13.988 951 H HIS 122 H HIS 122 -6.274 16.781 -18.179 952 HA HIS 122 HA HIS 122 -7.919 15.590 -20.251 953 HB2 HIS 122 2HB HIS 122 -7.708 18.601 -19.915 954 HB3 HIS 122 3HB HIS 122 -8.242 17.816 -21.393 955 HD1 HIS 122 HD1 HIS 122 -9.559 19.434 -18.561 956 HD2 HIS 122 HD2 HIS 122 -10.627 16.033 -20.699 957 HE1 HIS 122 HE1 HIS 122 -11.963 18.988 -17.970 958 HE2 HIS 122 HE2 HIS 122 -12.496 16.787 -19.079 959 H HIS 123 H HIS 123 -5.956 18.492 -20.475 960 HA HIS 123 HA HIS 123 -3.558 16.874 -20.967 961 HB2 HIS 123 2HB HIS 123 -4.524 19.196 -22.645 962 HB3 HIS 123 3HB HIS 123 -2.844 18.665 -22.638 963 HD1 HIS 123 HD1 HIS 123 -5.839 18.228 -24.492 964 HD2 HIS 123 HD2 HIS 123 -2.747 15.711 -23.305 965 HE1 HIS 123 HE1 HIS 123 -5.965 16.227 -26.012 966 HE2 HIS 123 HE2 HIS 123 -4.189 14.652 -25.174 967 H HIS 124 H HIS 124 -5.014 19.952 -20.133 968 HA HIS 124 HA HIS 124 -2.962 20.256 -18.056 969 HB2 HIS 124 2HB HIS 124 -2.561 21.903 -19.907 970 HB3 HIS 124 3HB HIS 124 -4.173 22.550 -19.629 971 HD1 HIS 124 HD1 HIS 124 -4.484 24.141 -17.649 972 HD2 HIS 124 HD2 HIS 124 -0.666 22.500 -17.877 973 HE1 HIS 124 HE1 HIS 124 -3.080 25.453 -16.021 974 HE2 HIS 124 HE2 HIS 124 -0.749 24.519 -16.260 Start of MODEL 19 1 H1 MET 1 1H MET 1 -31.622 6.616 -17.355 2 H2 MET 1 2H MET 1 -31.122 5.255 -16.462 3 H3 MET 1 3H MET 1 -32.606 6.002 -16.117 4 HA MET 1 HA MET 1 -33.539 5.336 -18.170 5 HB2 MET 1 2HB MET 1 -32.288 4.069 -19.816 6 HB3 MET 1 3HB MET 1 -31.463 5.588 -19.500 7 HG2 MET 1 2HG MET 1 -29.848 4.458 -18.103 8 HG3 MET 1 3HG MET 1 -30.707 2.933 -18.301 9 HE1 MET 1 3HE MET 1 -27.458 2.260 -20.341 10 HE2 MET 1 1HE MET 1 -28.557 1.653 -19.101 11 HE3 MET 1 2HE MET 1 -27.629 3.124 -18.812 12 H ASN 2 H ASN 2 -33.035 4.365 -15.393 13 HA ASN 2 HA ASN 2 -33.235 2.523 -14.070 14 HB2 ASN 2 2HB ASN 2 -34.797 1.466 -16.442 15 HB3 ASN 2 3HB ASN 2 -34.844 0.805 -14.809 16 HD21 ASN 2 1HD2 ASN 2 -35.806 2.040 -13.151 17 HD22 ASN 2 2HD2 ASN 2 -36.964 3.276 -13.529 18 H GLU 3 H GLU 3 -30.854 2.630 -15.071 19 HA GLU 3 HA GLU 3 -29.774 0.981 -16.883 20 HB2 GLU 3 2HB GLU 3 -28.697 1.751 -14.180 21 HB3 GLU 3 3HB GLU 3 -27.736 0.876 -15.362 22 HG2 GLU 3 2HG GLU 3 -27.115 3.080 -15.678 23 HG3 GLU 3 3HG GLU 3 -28.291 2.800 -16.957 24 H LEU 4 H LEU 4 -29.757 -0.071 -13.449 25 HA LEU 4 HA LEU 4 -30.206 -2.804 -14.407 26 HB2 LEU 4 2HB LEU 4 -27.947 -1.931 -12.605 27 HB3 LEU 4 3HB LEU 4 -28.441 -3.600 -12.800 28 HG LEU 4 HG LEU 4 -27.388 -1.837 -15.018 29 HD11 LEU 4 1HD1 LEU 4 -25.391 -3.253 -14.888 30 HD12 LEU 4 2HD1 LEU 4 -26.066 -4.066 -13.476 31 HD13 LEU 4 3HD1 LEU 4 -25.656 -2.353 -13.394 32 HD21 LEU 4 3HD2 LEU 4 -28.920 -3.522 -15.855 33 HD22 LEU 4 1HD2 LEU 4 -28.069 -4.777 -14.952 34 HD23 LEU 4 2HD2 LEU 4 -27.263 -3.944 -16.281 35 H ASP 5 H ASP 5 -30.306 -4.299 -12.355 36 HA ASP 5 HA ASP 5 -31.868 -2.914 -10.288 37 HB2 ASP 5 2HB ASP 5 -32.900 -5.216 -9.870 38 HB3 ASP 5 3HB ASP 5 -33.373 -4.396 -11.353 39 H ILE 6 H ILE 6 -30.518 -6.180 -10.249 40 HA ILE 6 HA ILE 6 -28.390 -5.339 -8.427 41 HB ILE 6 HB ILE 6 -28.864 -7.280 -6.930 42 HG12 ILE 6 2HG1 ILE 6 -31.531 -7.376 -8.360 43 HG13 ILE 6 3HG1 ILE 6 -30.240 -8.552 -8.577 44 HG21 ILE 6 1HG2 ILE 6 -30.728 -6.243 -5.711 45 HG22 ILE 6 2HG2 ILE 6 -31.061 -5.221 -7.111 46 HG23 ILE 6 3HG2 ILE 6 -29.534 -5.061 -6.241 47 HD11 ILE 6 3HD1 ILE 6 -31.710 -8.000 -6.007 48 HD12 ILE 6 1HD1 ILE 6 -30.423 -9.184 -6.229 49 HD13 ILE 6 2HD1 ILE 6 -31.957 -9.382 -7.075 50 H GLN 7 H GLN 7 -27.402 -7.830 -7.804 51 HA GLN 7 HA GLN 7 -26.374 -9.705 -8.509 52 HB2 GLN 7 2HB GLN 7 -28.545 -10.341 -9.473 53 HB3 GLN 7 3HB GLN 7 -28.137 -9.488 -10.954 54 HG2 GLN 7 2HG GLN 7 -27.761 -11.767 -11.373 55 HG3 GLN 7 3HG GLN 7 -26.173 -11.035 -11.172 56 HE21 GLN 7 1HE2 GLN 7 -27.061 -13.812 -10.877 57 HE22 GLN 7 2HE2 GLN 7 -26.581 -14.287 -9.277 58 H GLN 8 H GLN 8 -24.433 -8.585 -8.613 59 HA GLN 8 HA GLN 8 -23.413 -8.339 -11.362 60 HB2 GLN 8 2HB GLN 8 -22.788 -6.588 -8.979 61 HB3 GLN 8 3HB GLN 8 -21.782 -6.633 -10.420 62 HG2 GLN 8 2HG GLN 8 -24.704 -5.919 -10.407 63 HG3 GLN 8 3HG GLN 8 -23.385 -4.748 -10.367 64 HE21 GLN 8 1HE2 GLN 8 -25.077 -7.110 -12.297 65 HE22 GLN 8 2HE2 GLN 8 -24.418 -6.629 -13.824 66 H GLU 9 H GLU 9 -20.681 -8.123 -10.713 67 HA GLU 9 HA GLU 9 -20.259 -10.899 -10.007 68 HB2 GLU 9 2HB GLU 9 -18.122 -8.887 -10.713 69 HB3 GLU 9 3HB GLU 9 -18.019 -10.638 -10.802 70 HG2 GLU 9 2HG GLU 9 -19.546 -8.773 -12.586 71 HG3 GLU 9 3HG GLU 9 -18.231 -9.866 -13.012 72 H TYR 10 H TYR 10 -17.862 -8.525 -9.160 73 HA TYR 10 HA TYR 10 -16.619 -8.312 -7.259 74 HB2 TYR 10 2HB TYR 10 -19.429 -7.798 -6.306 75 HB3 TYR 10 3HB TYR 10 -18.016 -7.515 -5.294 76 HD1 TYR 10 HD1 TYR 10 -16.213 -5.923 -6.215 77 HD2 TYR 10 HD2 TYR 10 -20.161 -6.144 -7.795 78 HE1 TYR 10 HE1 TYR 10 -15.929 -3.701 -7.224 79 HE2 TYR 10 HE2 TYR 10 -19.882 -3.917 -8.810 80 HH TYR 10 HH TYR 10 -18.428 -1.844 -8.367 81 HA PRO 11 HA PRO 11 -17.236 -12.482 -5.422 82 HB2 PRO 11 2HB PRO 11 -14.847 -13.528 -6.055 83 HB3 PRO 11 3HB PRO 11 -16.179 -13.475 -7.214 84 HG2 PRO 11 2HG PRO 11 -13.771 -11.724 -7.009 85 HG3 PRO 11 3HG PRO 11 -14.590 -12.344 -8.453 86 HD2 PRO 11 2HD PRO 11 -14.908 -9.794 -7.407 87 HD3 PRO 11 3HD PRO 11 -16.049 -10.598 -8.501 88 H PHE 12 H PHE 12 -15.576 -9.779 -4.705 89 HA PHE 12 HA PHE 12 -14.916 -10.658 -2.069 90 HB2 PHE 12 2HB PHE 12 -12.522 -10.018 -2.154 91 HB3 PHE 12 3HB PHE 12 -12.879 -11.418 -3.157 92 HD1 PHE 12 HD1 PHE 12 -11.978 -7.860 -3.169 93 HD2 PHE 12 HD2 PHE 12 -12.650 -11.327 -5.545 94 HE1 PHE 12 HE1 PHE 12 -10.921 -6.746 -5.090 95 HE2 PHE 12 HE2 PHE 12 -11.593 -10.218 -7.468 96 HZ PHE 12 HZ PHE 12 -10.727 -7.922 -7.244 97 H THR 13 H THR 13 -14.083 -8.818 -0.744 98 HA THR 13 HA THR 13 -14.860 -6.217 -1.897 99 HB THR 13 HB THR 13 -15.354 -7.077 0.961 100 HG1 THR 13 HG1 THR 13 -16.727 -7.709 -1.218 101 HG21 THR 13 3HG2 THR 13 -16.719 -5.039 1.070 102 HG22 THR 13 1HG2 THR 13 -16.262 -4.646 -0.584 103 HG23 THR 13 2HG2 THR 13 -15.036 -4.669 0.684 104 H VAL 14 H VAL 14 -13.392 -4.636 -1.669 105 HA VAL 14 HA VAL 14 -11.097 -5.169 0.109 106 HB VAL 14 HB VAL 14 -11.161 -3.487 -2.407 107 HG11 VAL 14 1HG1 VAL 14 -9.578 -2.633 -0.752 108 HG12 VAL 14 2HG1 VAL 14 -8.742 -3.322 -2.144 109 HG13 VAL 14 3HG1 VAL 14 -8.836 -4.229 -0.633 110 HG21 VAL 14 3HG2 VAL 14 -9.937 -6.193 -1.889 111 HG22 VAL 14 1HG2 VAL 14 -9.686 -5.230 -3.347 112 HG23 VAL 14 2HG2 VAL 14 -11.297 -5.837 -2.952 113 H GLU 15 H GLU 15 -10.845 -3.846 1.783 114 HA GLU 15 HA GLU 15 -12.167 -1.223 1.706 115 HB2 GLU 15 2HB GLU 15 -11.690 -3.194 3.816 116 HB3 GLU 15 3HB GLU 15 -11.260 -1.555 4.287 117 HG2 GLU 15 2HG GLU 15 -13.923 -2.427 3.194 118 HG3 GLU 15 3HG GLU 15 -13.556 -2.095 4.888 119 H SER 16 H SER 16 -11.006 0.523 1.474 120 HA SER 16 HA SER 16 -8.132 0.423 2.116 121 HB2 SER 16 2HB SER 16 -9.419 2.147 -0.013 122 HB3 SER 16 3HB SER 16 -7.696 1.864 0.246 123 HG SER 16 HG SER 16 -8.638 -0.503 -0.073 124 H MET 17 H MET 17 -7.733 1.630 3.859 125 HA MET 17 HA MET 17 -9.551 3.760 4.600 126 HB2 MET 17 2HB MET 17 -7.123 2.583 5.944 127 HB3 MET 17 3HB MET 17 -7.965 3.991 6.574 128 HG2 MET 17 2HG MET 17 -8.738 2.083 7.757 129 HG3 MET 17 3HG MET 17 -10.037 2.620 6.694 130 HE1 MET 17 3HE MET 17 -9.932 -0.266 8.125 131 HE2 MET 17 1HE MET 17 -10.520 -1.265 6.796 132 HE3 MET 17 2HE MET 17 -11.256 0.307 7.111 133 HA PRO 18 HA PRO 18 -7.381 6.913 2.369 134 HB2 PRO 18 2HB PRO 18 -8.641 8.627 4.451 135 HB3 PRO 18 3HB PRO 18 -8.688 8.771 2.689 136 HG2 PRO 18 2HG PRO 18 -10.803 7.875 4.019 137 HG3 PRO 18 3HG PRO 18 -10.335 7.155 2.469 138 HD2 PRO 18 2HD PRO 18 -9.932 6.107 5.239 139 HD3 PRO 18 3HD PRO 18 -10.356 5.234 3.752 140 H VAL 19 H VAL 19 -5.632 8.279 2.629 141 HA VAL 19 HA VAL 19 -4.202 7.944 5.183 142 HB VAL 19 HB VAL 19 -2.117 8.097 3.908 143 HG11 VAL 19 1HG1 VAL 19 -3.035 5.894 4.289 144 HG12 VAL 19 2HG1 VAL 19 -2.288 5.954 2.692 145 HG13 VAL 19 3HG1 VAL 19 -4.042 6.032 2.849 146 HG21 VAL 19 3HG2 VAL 19 -2.915 9.532 2.088 147 HG22 VAL 19 1HG2 VAL 19 -3.879 8.197 1.458 148 HG23 VAL 19 2HG2 VAL 19 -2.118 8.085 1.468 149 H ALA 20 H ALA 20 -2.424 9.692 5.420 150 HA ALA 20 HA ALA 20 -3.650 12.284 5.243 151 HB1 ALA 20 3HB ALA 20 -1.638 13.104 6.331 152 HB2 ALA 20 1HB ALA 20 -0.836 11.556 6.062 153 HB3 ALA 20 2HB ALA 20 -2.220 11.652 7.149 154 H ASP 21 H ASP 21 -3.629 13.497 3.477 155 HA ASP 21 HA ASP 21 -2.101 12.761 1.174 156 HB2 ASP 21 2HB ASP 21 -4.370 13.675 0.989 157 HB3 ASP 21 3HB ASP 21 -3.827 15.193 1.696 158 H GLU 22 H GLU 22 -1.764 15.110 3.703 159 HA GLU 22 HA GLU 22 0.194 16.644 2.196 160 HB2 GLU 22 2HB GLU 22 0.134 18.137 4.240 161 HB3 GLU 22 3HB GLU 22 -1.353 18.020 3.315 162 HG2 GLU 22 2HG GLU 22 -2.065 16.250 5.003 163 HG3 GLU 22 3HG GLU 22 -0.713 16.817 5.983 164 H ILE 23 H ILE 23 2.224 16.071 2.214 165 HA ILE 23 HA ILE 23 3.314 14.680 4.571 166 HB ILE 23 HB ILE 23 4.297 14.712 1.710 167 HG12 ILE 23 2HG1 ILE 23 2.293 13.348 2.017 168 HG13 ILE 23 3HG1 ILE 23 3.696 12.332 1.711 169 HG21 ILE 23 1HG2 ILE 23 5.412 13.256 4.101 170 HG22 ILE 23 2HG2 ILE 23 6.171 14.595 3.240 171 HG23 ILE 23 3HG2 ILE 23 5.939 13.046 2.430 172 HD11 ILE 23 3HD1 ILE 23 2.294 11.370 3.428 173 HD12 ILE 23 1HD1 ILE 23 2.424 12.843 4.388 174 HD13 ILE 23 2HD1 ILE 23 3.851 11.847 4.106 175 H ALA 24 H ALA 24 4.832 15.646 5.750 176 HA ALA 24 HA ALA 24 5.732 18.295 5.052 177 HB1 ALA 24 3HB ALA 24 5.101 17.800 7.345 178 HB2 ALA 24 1HB ALA 24 6.799 18.270 7.261 179 HB3 ALA 24 2HB ALA 24 6.362 16.571 7.445 180 H GLY 25 H GLY 25 7.589 15.476 6.226 181 HA2 GLY 25 2HA GLY 25 9.305 15.512 3.910 182 HA3 GLY 25 3HA GLY 25 10.081 16.129 5.359 183 H ASP 26 H ASP 26 9.601 14.641 7.343 184 HA ASP 26 HA ASP 26 10.423 11.927 6.542 185 HB2 ASP 26 2HB ASP 26 10.658 13.328 9.221 186 HB3 ASP 26 3HB ASP 26 11.257 11.714 8.860 187 H GLU 27 H GLU 27 7.694 13.043 6.597 188 HA GLU 27 HA GLU 27 6.246 12.337 8.878 189 HB2 GLU 27 2HB GLU 27 5.610 13.832 6.882 190 HB3 GLU 27 3HB GLU 27 5.114 12.344 6.090 191 HG2 GLU 27 2HG GLU 27 3.205 13.403 7.074 192 HG3 GLU 27 3HG GLU 27 3.557 11.914 7.953 193 H THR 28 H THR 28 5.345 10.469 9.581 194 HA THR 28 HA THR 28 5.497 8.148 7.772 195 HB THR 28 HB THR 28 5.350 8.146 10.797 196 HG1 THR 28 HG1 THR 28 7.390 8.794 9.566 197 HG21 THR 28 3HG2 THR 28 4.302 6.170 9.795 198 HG22 THR 28 1HG2 THR 28 5.816 5.743 10.596 199 HG23 THR 28 2HG2 THR 28 5.755 5.878 8.838 200 H VAL 29 H VAL 29 3.616 7.734 6.860 201 HA VAL 29 HA VAL 29 1.163 8.481 8.285 202 HB VAL 29 HB VAL 29 0.055 8.252 6.043 203 HG11 VAL 29 1HG1 VAL 29 0.924 10.369 5.168 204 HG12 VAL 29 2HG1 VAL 29 2.317 10.237 6.242 205 HG13 VAL 29 3HG1 VAL 29 0.698 10.428 6.917 206 HG21 VAL 29 3HG2 VAL 29 1.698 6.772 4.996 207 HG22 VAL 29 1HG2 VAL 29 2.901 8.060 5.055 208 HG23 VAL 29 2HG2 VAL 29 1.463 8.239 4.048 209 H GLU 30 H GLU 30 -0.704 7.062 8.079 210 HA GLU 30 HA GLU 30 0.165 4.256 8.253 211 HB2 GLU 30 2HB GLU 30 -0.656 5.388 10.353 212 HB3 GLU 30 3HB GLU 30 -2.232 5.510 9.589 213 HG2 GLU 30 2HG GLU 30 -2.372 3.094 9.438 214 HG3 GLU 30 3HG GLU 30 -0.763 2.945 10.143 215 H ILE 31 H ILE 31 -0.525 2.990 6.716 216 HA ILE 31 HA ILE 31 -2.974 3.702 5.230 217 HB ILE 31 HB ILE 31 -0.753 1.886 4.278 218 HG12 ILE 31 2HG1 ILE 31 -1.154 4.824 3.656 219 HG13 ILE 31 3HG1 ILE 31 0.125 4.170 4.671 220 HG21 ILE 31 1HG2 ILE 31 -2.906 1.567 3.186 221 HG22 ILE 31 2HG2 ILE 31 -1.751 2.294 2.069 222 HG23 ILE 31 3HG2 ILE 31 -2.992 3.292 2.822 223 HD11 ILE 31 3HD1 ILE 31 1.009 2.951 2.742 224 HD12 ILE 31 1HD1 ILE 31 0.962 4.693 2.469 225 HD13 ILE 31 2HD1 ILE 31 -0.258 3.652 1.732 226 H ARG 32 H ARG 32 -4.666 2.435 5.772 227 HA ARG 32 HA ARG 32 -4.078 -0.269 6.756 228 HB2 ARG 32 2HB ARG 32 -6.577 1.400 7.098 229 HB3 ARG 32 3HB ARG 32 -6.355 -0.230 7.718 230 HG2 ARG 32 2HG ARG 32 -4.480 0.586 9.100 231 HG3 ARG 32 3HG ARG 32 -4.809 2.223 8.524 232 HD2 ARG 32 2HD ARG 32 -7.076 2.080 9.461 233 HD3 ARG 32 3HD ARG 32 -6.715 0.460 10.060 234 HE ARG 32 HE ARG 32 -4.763 2.220 11.045 235 HH11 ARG 32 1HH1 ARG 32 -8.194 1.553 11.418 236 HH12 ARG 32 2HH1 ARG 32 -8.256 2.205 13.028 237 HH21 ARG 32 1HH2 ARG 32 -4.853 3.044 13.144 238 HH22 ARG 32 2HH2 ARG 32 -6.358 3.035 14.024 239 H LEU 33 H LEU 33 -4.609 -1.977 5.587 240 HA LEU 33 HA LEU 33 -6.619 -1.682 3.463 241 HB2 LEU 33 2HB LEU 33 -4.098 -1.583 2.757 242 HB3 LEU 33 3HB LEU 33 -4.124 -3.307 3.052 243 HG LEU 33 HG LEU 33 -4.400 -2.692 0.663 244 HD11 LEU 33 1HD1 LEU 33 -6.299 -4.159 0.194 245 HD12 LEU 33 2HD1 LEU 33 -6.771 -4.082 1.894 246 HD13 LEU 33 3HD1 LEU 33 -5.241 -4.832 1.436 247 HD21 LEU 33 3HD2 LEU 33 -6.531 -1.757 -0.088 248 HD22 LEU 33 1HD2 LEU 33 -5.656 -0.631 0.949 249 HD23 LEU 33 2HD2 LEU 33 -7.025 -1.539 1.590 250 H GLU 34 H GLU 34 -8.079 -3.275 3.499 251 HA GLU 34 HA GLU 34 -7.428 -5.853 4.721 252 HB2 GLU 34 2HB GLU 34 -9.811 -4.188 5.579 253 HB3 GLU 34 3HB GLU 34 -9.413 -5.803 6.151 254 HG2 GLU 34 2HG GLU 34 -7.330 -4.920 7.122 255 HG3 GLU 34 3HG GLU 34 -7.791 -3.306 6.592 256 H ILE 35 H ILE 35 -8.351 -7.507 3.627 257 HA ILE 35 HA ILE 35 -10.473 -6.822 1.689 258 HB ILE 35 HB ILE 35 -8.194 -8.757 1.210 259 HG12 ILE 35 2HG1 ILE 35 -8.720 -6.047 -0.037 260 HG13 ILE 35 3HG1 ILE 35 -7.485 -6.383 1.174 261 HG21 ILE 35 1HG2 ILE 35 -10.268 -9.424 0.096 262 HG22 ILE 35 2HG2 ILE 35 -9.058 -8.892 -1.073 263 HG23 ILE 35 3HG2 ILE 35 -10.393 -7.823 -0.639 264 HD11 ILE 35 3HD1 ILE 35 -6.383 -7.909 -0.395 265 HD12 ILE 35 1HD1 ILE 35 -6.523 -6.277 -1.045 266 HD13 ILE 35 2HD1 ILE 35 -7.616 -7.543 -1.602 267 H LYS 36 H LYS 36 -12.187 -8.153 1.593 268 HA LYS 36 HA LYS 36 -12.043 -10.691 3.087 269 HB2 LYS 36 2HB LYS 36 -14.459 -9.022 2.374 270 HB3 LYS 36 3HB LYS 36 -14.520 -10.586 3.170 271 HG2 LYS 36 2HG LYS 36 -13.234 -9.624 5.053 272 HG3 LYS 36 3HG LYS 36 -13.337 -8.046 4.264 273 HD2 LYS 36 2HD LYS 36 -15.817 -8.276 4.284 274 HD3 LYS 36 3HD LYS 36 -15.627 -9.757 5.223 275 HE2 LYS 36 2HE LYS 36 -14.502 -8.484 6.986 276 HE3 LYS 36 3HE LYS 36 -14.710 -7.005 6.047 277 HZ1 LYS 36 3HZ LYS 36 -16.476 -6.988 7.541 278 HZ2 LYS 36 1HZ LYS 36 -16.774 -8.653 7.373 279 HZ3 LYS 36 2HZ LYS 36 -17.181 -7.595 6.120 280 HA PRO 37 HA PRO 37 -12.584 -12.228 -1.137 281 HB2 PRO 37 2HB PRO 37 -11.261 -14.547 -0.777 282 HB3 PRO 37 3HB PRO 37 -10.416 -13.020 -1.055 283 HG2 PRO 37 2HG PRO 37 -10.804 -14.542 1.469 284 HG3 PRO 37 3HG PRO 37 -9.427 -13.557 0.950 285 HD2 PRO 37 2HD PRO 37 -11.443 -12.764 2.718 286 HD3 PRO 37 3HD PRO 37 -10.303 -11.685 1.891 287 H SER 38 H SER 38 -14.459 -13.182 -1.680 288 HA SER 38 HA SER 38 -15.824 -14.848 0.264 289 HB2 SER 38 2HB SER 38 -17.084 -13.092 -0.962 290 HB3 SER 38 3HB SER 38 -16.751 -13.939 -2.471 291 HG SER 38 HG SER 38 -18.174 -15.445 -1.978 292 H GLY 39 H GLY 39 -14.597 -16.695 0.286 293 HA2 GLY 39 2HA GLY 39 -15.211 -18.597 -1.770 294 HA3 GLY 39 3HA GLY 39 -13.515 -18.131 -1.758 295 H ASN 40 H ASN 40 -15.449 -20.487 -0.834 296 HA ASN 40 HA ASN 40 -14.691 -20.910 1.894 297 HB2 ASN 40 2HB ASN 40 -15.821 -22.800 -0.186 298 HB3 ASN 40 3HB ASN 40 -15.602 -23.212 1.510 299 HD21 ASN 40 1HD2 ASN 40 -17.434 -21.359 -0.784 300 HD22 ASN 40 2HD2 ASN 40 -18.733 -20.940 0.289 301 H PHE 41 H PHE 41 -13.460 -21.836 -1.235 302 HA PHE 41 HA PHE 41 -11.128 -23.057 0.078 303 HB2 PHE 41 2HB PHE 41 -12.389 -23.928 -2.536 304 HB3 PHE 41 3HB PHE 41 -10.947 -24.625 -1.805 305 HD1 PHE 41 HD2 PHE 41 -11.149 -25.878 0.339 306 HD2 PHE 41 HD1 PHE 41 -14.545 -24.606 -1.882 307 HE1 PHE 41 HE2 PHE 41 -12.550 -27.486 1.566 308 HE2 PHE 41 HE1 PHE 41 -15.951 -26.206 -0.656 309 HZ PHE 41 HZ PHE 41 -14.956 -27.649 1.067 310 H ILE 42 H ILE 42 -9.167 -22.406 -0.662 311 HA ILE 42 HA ILE 42 -9.163 -20.540 -2.930 312 HB ILE 42 HB ILE 42 -7.041 -19.594 -1.934 313 HG12 ILE 42 2HG1 ILE 42 -6.821 -21.579 -0.284 314 HG13 ILE 42 3HG1 ILE 42 -6.420 -19.964 0.287 315 HG21 ILE 42 1HG2 ILE 42 -9.617 -19.231 -0.420 316 HG22 ILE 42 2HG2 ILE 42 -9.129 -18.391 -1.892 317 HG23 ILE 42 3HG2 ILE 42 -8.247 -18.122 -0.390 318 HD11 ILE 42 3HD1 ILE 42 -8.554 -19.813 1.424 319 HD12 ILE 42 1HD1 ILE 42 -7.686 -21.261 1.933 320 HD13 ILE 42 2HD1 ILE 42 -9.025 -21.390 0.793 321 H GLY 43 H GLY 43 -8.485 -21.610 -4.646 322 HA2 GLY 43 2HA GLY 43 -6.346 -23.609 -4.303 323 HA3 GLY 43 3HA GLY 43 -7.522 -23.602 -5.608 324 H THR 44 H THR 44 -5.496 -20.995 -4.333 325 HA THR 44 HA THR 44 -3.720 -21.086 -6.575 326 HB THR 44 HB THR 44 -5.770 -19.933 -7.502 327 HG1 THR 44 HG1 THR 44 -3.774 -19.548 -8.472 328 HG21 THR 44 3HG2 THR 44 -6.391 -18.698 -5.471 329 HG22 THR 44 1HG2 THR 44 -6.188 -17.627 -6.858 330 HG23 THR 44 2HG2 THR 44 -4.930 -17.723 -5.627 331 H VAL 45 H VAL 45 -2.346 -18.920 -6.488 332 HA VAL 45 HA VAL 45 -1.761 -18.412 -3.645 333 HB VAL 45 HB VAL 45 0.217 -18.504 -5.932 334 HG11 VAL 45 1HG1 VAL 45 1.926 -18.302 -4.184 335 HG12 VAL 45 2HG1 VAL 45 0.657 -18.123 -2.971 336 HG13 VAL 45 3HG1 VAL 45 0.859 -16.897 -4.223 337 HG21 VAL 45 3HG2 VAL 45 1.094 -20.522 -4.841 338 HG22 VAL 45 1HG2 VAL 45 -0.575 -20.734 -5.368 339 HG23 VAL 45 2HG2 VAL 45 -0.219 -20.449 -3.665 340 H TYR 46 H TYR 46 -2.376 -16.414 -3.158 341 HA TYR 46 HA TYR 46 -2.486 -14.331 -5.164 342 HB2 TYR 46 2HB TYR 46 -3.027 -14.130 -2.197 343 HB3 TYR 46 3HB TYR 46 -3.494 -12.968 -3.435 344 HD1 TYR 46 HD2 TYR 46 -5.334 -13.486 -4.991 345 HD2 TYR 46 HD1 TYR 46 -4.292 -16.138 -1.833 346 HE1 TYR 46 HE2 TYR 46 -7.492 -14.634 -5.249 347 HE2 TYR 46 HE1 TYR 46 -6.448 -17.290 -2.085 348 HH TYR 46 HH TYR 46 -8.737 -16.745 -2.962 349 H THR 47 H THR 47 -0.958 -12.831 -5.518 350 HA THR 47 HA THR 47 1.286 -12.723 -3.597 351 HB THR 47 HB THR 47 1.518 -12.360 -6.591 352 HG1 THR 47 HG1 THR 47 0.955 -14.570 -5.619 353 HG21 THR 47 3HG2 THR 47 3.915 -12.621 -6.173 354 HG22 THR 47 1HG2 THR 47 3.602 -12.788 -4.445 355 HG23 THR 47 2HG2 THR 47 3.265 -11.261 -5.260 356 H LEU 48 H LEU 48 2.085 -10.750 -3.047 357 HA LEU 48 HA LEU 48 0.797 -8.398 -4.266 358 HB2 LEU 48 2HB LEU 48 0.090 -8.609 -1.976 359 HB3 LEU 48 3HB LEU 48 1.740 -8.864 -1.436 360 HG LEU 48 HG LEU 48 2.295 -6.543 -2.027 361 HD11 LEU 48 1HD1 LEU 48 0.713 -6.212 -3.844 362 HD12 LEU 48 2HD1 LEU 48 0.518 -4.969 -2.610 363 HD13 LEU 48 3HD1 LEU 48 -0.632 -6.302 -2.707 364 HD21 LEU 48 3HD2 LEU 48 1.001 -5.457 -0.258 365 HD22 LEU 48 1HD2 LEU 48 1.570 -7.054 0.230 366 HD23 LEU 48 2HD2 LEU 48 -0.114 -6.824 -0.240 367 H ARG 49 H ARG 49 2.122 -7.214 -5.440 368 HA ARG 49 HA ARG 49 4.990 -7.201 -4.760 369 HB2 ARG 49 2HB ARG 49 3.715 -6.298 -7.342 370 HB3 ARG 49 3HB ARG 49 5.430 -6.493 -7.022 371 HG2 ARG 49 2HG ARG 49 5.097 -8.915 -6.801 372 HG3 ARG 49 3HG ARG 49 3.385 -8.696 -7.186 373 HD2 ARG 49 2HD ARG 49 4.211 -7.503 -9.294 374 HD3 ARG 49 3HD ARG 49 5.776 -8.225 -8.938 375 HE ARG 49 HE ARG 49 3.489 -10.034 -9.098 376 HH11 ARG 49 1HH1 ARG 49 6.398 -8.729 -10.548 377 HH12 ARG 49 2HH1 ARG 49 6.432 -9.892 -11.841 378 HH21 ARG 49 1HH2 ARG 49 3.486 -11.532 -10.820 379 HH22 ARG 49 2HH2 ARG 49 4.743 -11.464 -12.021 380 H TYR 50 H TYR 50 6.005 -5.276 -4.367 381 HA TYR 50 HA TYR 50 4.249 -2.932 -4.140 382 HB2 TYR 50 2HB TYR 50 5.361 -3.700 -2.066 383 HB3 TYR 50 3HB TYR 50 6.928 -3.470 -2.830 384 HD1 TYR 50 HD2 TYR 50 3.827 -1.385 -2.538 385 HD2 TYR 50 HD1 TYR 50 8.031 -1.657 -1.959 386 HE1 TYR 50 HE2 TYR 50 3.862 0.936 -1.726 387 HE2 TYR 50 HE1 TYR 50 8.075 0.656 -1.140 388 HH TYR 50 HH TYR 50 6.782 2.675 -1.257 389 H PHE 51 H PHE 51 4.748 -1.038 -5.194 390 HA PHE 51 HA PHE 51 7.265 -0.790 -6.621 391 HB2 PHE 51 2HB PHE 51 5.882 -2.083 -8.175 392 HB3 PHE 51 3HB PHE 51 4.600 -0.887 -8.055 393 HD1 PHE 51 HD1 PHE 51 8.018 -1.500 -9.297 394 HD2 PHE 51 HD2 PHE 51 4.630 1.078 -9.368 395 HE1 PHE 51 HE1 PHE 51 8.980 -0.294 -11.212 396 HE2 PHE 51 HE2 PHE 51 5.587 2.288 -11.283 397 HZ PHE 51 HZ PHE 51 7.763 1.604 -12.207 398 H GLN 52 H GLN 52 7.766 1.330 -7.191 399 HA GLN 52 HA GLN 52 5.774 3.392 -6.550 400 HB2 GLN 52 2HB GLN 52 8.685 3.488 -5.727 401 HB3 GLN 52 3HB GLN 52 7.500 4.757 -5.466 402 HG2 GLN 52 2HG GLN 52 6.222 3.218 -4.022 403 HG3 GLN 52 3HG GLN 52 7.503 2.022 -4.223 404 HE21 GLN 52 1HE2 GLN 52 8.060 5.463 -3.974 405 HE22 GLN 52 2HE2 GLN 52 8.841 5.419 -2.433 406 HA PRO 53 HA PRO 53 7.240 4.668 -10.655 407 HB2 PRO 53 2HB PRO 53 5.424 6.717 -10.840 408 HB3 PRO 53 3HB PRO 53 5.082 5.049 -11.306 409 HG2 PRO 53 2HG PRO 53 4.391 6.496 -8.784 410 HG3 PRO 53 3HG PRO 53 3.419 5.350 -9.725 411 HD2 PRO 53 2HD PRO 53 4.687 4.625 -7.461 412 HD3 PRO 53 3HD PRO 53 4.484 3.508 -8.826 413 H ASP 54 H ASP 54 6.655 6.605 -7.782 414 HA ASP 54 HA ASP 54 9.163 7.935 -8.050 415 HB2 ASP 54 2HB ASP 54 7.372 9.227 -9.538 416 HB3 ASP 54 3HB ASP 54 6.890 9.885 -7.978 417 H GLY 55 H GLY 55 8.909 9.966 -6.280 418 HA2 GLY 55 2HA GLY 55 8.529 10.463 -4.048 419 HA3 GLY 55 3HA GLY 55 7.405 9.114 -3.966 420 H LYS 56 H LYS 56 9.836 10.091 -2.334 421 HA LYS 56 HA LYS 56 11.220 7.497 -2.298 422 HB2 LYS 56 2HB LYS 56 12.226 10.212 -1.430 423 HB3 LYS 56 3HB LYS 56 13.081 8.707 -1.138 424 HG2 LYS 56 2HG LYS 56 14.138 9.430 -3.027 425 HG3 LYS 56 3HG LYS 56 12.871 8.431 -3.733 426 HD2 LYS 56 2HD LYS 56 11.844 11.063 -3.375 427 HD3 LYS 56 3HD LYS 56 13.410 11.183 -4.176 428 HE2 LYS 56 2HE LYS 56 11.022 9.575 -5.067 429 HE3 LYS 56 3HE LYS 56 11.684 11.012 -5.842 430 HZ1 LYS 56 3HZ LYS 56 12.439 9.176 -7.076 431 HZ2 LYS 56 1HZ LYS 56 12.882 8.306 -5.693 432 HZ3 LYS 56 2HZ LYS 56 13.776 9.672 -6.157 433 H GLY 57 H GLY 57 11.209 6.325 -0.461 434 HA2 GLY 57 2HA GLY 57 10.947 7.045 2.143 435 HA3 GLY 57 3HA GLY 57 9.290 7.086 1.550 436 H SER 58 H SER 58 9.865 5.338 3.536 437 HA SER 58 HA SER 58 10.071 2.740 2.157 438 HB2 SER 58 2HB SER 58 10.846 3.370 5.015 439 HB3 SER 58 3HB SER 58 11.042 1.823 4.198 440 HG SER 58 HG SER 58 12.344 3.175 2.624 441 H LEU 59 H LEU 59 8.257 1.597 2.159 442 HA LEU 59 HA LEU 59 6.173 2.183 4.124 443 HB2 LEU 59 2HB LEU 59 5.590 2.095 1.713 444 HB3 LEU 59 3HB LEU 59 6.098 0.417 1.672 445 HG LEU 59 HG LEU 59 4.299 -0.168 3.247 446 HD11 LEU 59 1HD1 LEU 59 2.569 1.481 3.772 447 HD12 LEU 59 2HD1 LEU 59 3.531 2.731 2.984 448 HD13 LEU 59 3HD1 LEU 59 4.134 1.942 4.441 449 HD21 LEU 59 3HD2 LEU 59 3.889 -0.304 0.846 450 HD22 LEU 59 1HD2 LEU 59 3.366 1.380 0.835 451 HD23 LEU 59 2HD2 LEU 59 2.427 0.171 1.712 452 H LYS 60 H LYS 60 6.142 1.016 5.924 453 HA LYS 60 HA LYS 60 7.295 -1.697 5.838 454 HB2 LYS 60 2HB LYS 60 7.192 0.244 8.155 455 HB3 LYS 60 3HB LYS 60 7.873 -1.377 8.213 456 HG2 LYS 60 2HG LYS 60 9.570 -0.753 6.598 457 HG3 LYS 60 3HG LYS 60 8.868 0.858 6.455 458 HD2 LYS 60 2HD LYS 60 10.804 0.933 7.900 459 HD3 LYS 60 3HD LYS 60 9.351 1.242 8.847 460 HE2 LYS 60 2HE LYS 60 9.987 -1.577 8.744 461 HE3 LYS 60 3HE LYS 60 11.326 -0.629 9.387 462 HZ1 LYS 60 3HZ LYS 60 9.833 0.332 11.011 463 HZ2 LYS 60 1HZ LYS 60 9.815 -1.355 11.131 464 HZ3 LYS 60 2HZ LYS 60 8.527 -0.545 10.387 465 H MET 61 H MET 61 6.231 -3.371 6.770 466 HA MET 61 HA MET 61 3.396 -3.040 7.202 467 HB2 MET 61 2HB MET 61 5.162 -5.488 7.357 468 HB3 MET 61 3HB MET 61 3.410 -5.506 7.475 469 HG2 MET 61 2HG MET 61 3.251 -4.623 5.201 470 HG3 MET 61 3HG MET 61 5.010 -4.618 5.087 471 HE1 MET 61 3HE MET 61 2.733 -7.333 6.827 472 HE2 MET 61 1HE MET 61 2.484 -8.465 5.498 473 HE3 MET 61 2HE MET 61 1.787 -6.846 5.419 474 H GLU 62 H GLU 62 2.726 -2.298 9.050 475 HA GLU 62 HA GLU 62 2.387 -1.931 11.235 476 HB2 GLU 62 2HB GLU 62 3.352 -4.778 11.390 477 HB3 GLU 62 3HB GLU 62 2.700 -3.900 12.768 478 HG2 GLU 62 2HG GLU 62 0.620 -3.521 11.463 479 HG3 GLU 62 3HG GLU 62 1.274 -4.565 10.206 480 H ASP 63 H ASP 63 5.288 -3.975 11.672 481 HA ASP 63 HA ASP 63 6.437 -1.677 13.114 482 HB2 ASP 63 2HB ASP 63 5.404 -3.432 14.608 483 HB3 ASP 63 3HB ASP 63 6.655 -4.538 14.045 484 H GLY 64 H GLY 64 7.046 -4.409 11.001 485 HA2 GLY 64 2HA GLY 64 9.916 -3.727 11.132 486 HA3 GLY 64 3HA GLY 64 9.403 -5.391 11.332 487 H THR 65 H THR 65 7.726 -5.950 9.377 488 HA THR 65 HA THR 65 9.500 -6.527 7.326 489 HB THR 65 HB THR 65 6.489 -6.476 7.079 490 HG1 THR 65 HG1 THR 65 8.299 -8.208 8.382 491 HG21 THR 65 3HG2 THR 65 7.680 -6.822 4.959 492 HG22 THR 65 1HG2 THR 65 6.848 -8.290 5.471 493 HG23 THR 65 2HG2 THR 65 8.592 -8.143 5.686 494 H VAL 66 H VAL 66 10.462 -5.110 6.011 495 HA VAL 66 HA VAL 66 9.121 -2.684 5.176 496 HB VAL 66 HB VAL 66 11.830 -3.720 4.321 497 HG11 VAL 66 1HG1 VAL 66 10.975 -2.027 2.823 498 HG12 VAL 66 2HG1 VAL 66 12.284 -1.351 3.793 499 HG13 VAL 66 3HG1 VAL 66 10.606 -0.967 4.183 500 HG21 VAL 66 3HG2 VAL 66 12.767 -2.218 6.019 501 HG22 VAL 66 1HG2 VAL 66 11.769 -3.482 6.736 502 HG23 VAL 66 2HG2 VAL 66 11.136 -1.843 6.577 503 H LEU 67 H LEU 67 8.138 -2.346 3.275 504 HA LEU 67 HA LEU 67 8.122 -4.487 1.297 505 HB2 LEU 67 2HB LEU 67 6.610 -1.870 1.374 506 HB3 LEU 67 3HB LEU 67 6.387 -3.137 0.184 507 HG LEU 67 HG LEU 67 5.782 -3.354 3.133 508 HD11 LEU 67 1HD1 LEU 67 3.454 -3.524 2.377 509 HD12 LEU 67 2HD1 LEU 67 3.979 -3.215 0.723 510 HD13 LEU 67 3HD1 LEU 67 4.178 -1.973 1.959 511 HD21 LEU 67 3HD2 LEU 67 6.562 -5.477 2.230 512 HD22 LEU 67 1HD2 LEU 67 5.399 -5.355 0.910 513 HD23 LEU 67 2HD2 LEU 67 4.833 -5.537 2.569 514 H LYS 68 H LYS 68 9.081 -4.343 -0.663 515 HA LYS 68 HA LYS 68 10.617 -1.897 -1.228 516 HB2 LYS 68 2HB LYS 68 11.512 -4.775 -1.553 517 HB3 LYS 68 3HB LYS 68 12.411 -3.377 -2.127 518 HG2 LYS 68 2HG LYS 68 13.236 -2.926 -0.102 519 HG3 LYS 68 3HG LYS 68 11.691 -3.213 0.698 520 HD2 LYS 68 2HD LYS 68 13.598 -5.356 -0.242 521 HD3 LYS 68 3HD LYS 68 13.433 -4.793 1.423 522 HE2 LYS 68 2HE LYS 68 11.101 -5.507 1.446 523 HE3 LYS 68 3HE LYS 68 11.242 -6.048 -0.226 524 HZ1 LYS 68 3HZ LYS 68 11.533 -7.980 0.946 525 HZ2 LYS 68 1HZ LYS 68 12.388 -7.236 2.211 526 HZ3 LYS 68 2HZ LYS 68 13.143 -7.496 0.715 527 HA PRO 69 HA PRO 69 8.509 -2.005 -5.109 528 HB2 PRO 69 2HB PRO 69 10.742 -0.456 -6.218 529 HB3 PRO 69 3HB PRO 69 9.054 0.014 -5.995 530 HG2 PRO 69 2HG PRO 69 11.027 1.044 -4.487 531 HG3 PRO 69 3HG PRO 69 9.406 0.742 -3.832 532 HD2 PRO 69 2HD PRO 69 11.906 -0.890 -3.536 533 HD3 PRO 69 3HD PRO 69 10.682 -0.475 -2.317 534 H ASN 70 H ASN 70 8.978 -4.277 -5.343 535 HA ASN 70 HA ASN 70 9.844 -5.297 -7.645 536 HB2 ASN 70 2HB ASN 70 12.079 -4.491 -7.561 537 HB3 ASN 70 3HB ASN 70 12.251 -4.899 -5.859 538 HD21 ASN 70 1HD2 ASN 70 12.089 -6.195 -9.107 539 HD22 ASN 70 2HD2 ASN 70 12.861 -7.699 -8.744 540 H ASP 71 H ASP 71 9.940 -5.539 -4.202 541 HA ASP 71 HA ASP 71 10.486 -8.321 -4.044 542 HB2 ASP 71 2HB ASP 71 10.578 -6.239 -2.272 543 HB3 ASP 71 3HB ASP 71 9.150 -7.113 -1.724 544 H ARG 72 H ARG 72 9.180 -10.015 -3.586 545 HA ARG 72 HA ARG 72 6.320 -9.581 -4.129 546 HB2 ARG 72 2HB ARG 72 6.358 -11.961 -4.950 547 HB3 ARG 72 3HB ARG 72 7.305 -10.834 -5.916 548 HG2 ARG 72 2HG ARG 72 9.338 -11.597 -4.706 549 HG3 ARG 72 3HG ARG 72 8.345 -12.811 -3.897 550 HD2 ARG 72 2HD ARG 72 9.532 -13.759 -5.808 551 HD3 ARG 72 3HD ARG 72 7.785 -13.802 -6.049 552 HE ARG 72 HE ARG 72 7.989 -12.260 -7.765 553 HH11 ARG 72 1HH1 ARG 72 11.091 -12.759 -6.194 554 HH12 ARG 72 2HH1 ARG 72 11.982 -11.886 -7.408 555 HH21 ARG 72 1HH2 ARG 72 9.159 -11.160 -9.366 556 HH22 ARG 72 2HH2 ARG 72 10.884 -11.001 -9.232 557 H TYR 73 H TYR 73 5.113 -9.772 -2.375 558 HA TYR 73 HA TYR 73 5.874 -11.772 -0.348 559 HB2 TYR 73 2HB TYR 73 4.317 -9.199 -0.098 560 HB3 TYR 73 3HB TYR 73 4.328 -10.425 1.163 561 HD1 TYR 73 HD2 TYR 73 6.420 -10.932 2.376 562 HD2 TYR 73 HD1 TYR 73 6.192 -7.743 -0.430 563 HE1 TYR 73 HE2 TYR 73 8.479 -9.968 3.313 564 HE2 TYR 73 HE1 TYR 73 8.253 -6.770 0.495 565 HH TYR 73 HH TYR 73 9.517 -6.827 2.658 566 H LEU 74 H LEU 74 4.218 -13.086 0.551 567 HA LEU 74 HA LEU 74 2.013 -13.515 -1.342 568 HB2 LEU 74 2HB LEU 74 3.190 -15.340 0.758 569 HB3 LEU 74 3HB LEU 74 1.803 -15.742 -0.232 570 HG LEU 74 HG LEU 74 3.608 -16.857 -1.224 571 HD11 LEU 74 1HD1 LEU 74 2.230 -15.747 -2.861 572 HD12 LEU 74 2HD1 LEU 74 3.909 -15.773 -3.401 573 HD13 LEU 74 3HD1 LEU 74 3.214 -14.290 -2.746 574 HD21 LEU 74 3HD2 LEU 74 5.203 -14.306 -1.036 575 HD22 LEU 74 1HD2 LEU 74 5.745 -15.807 -1.790 576 HD23 LEU 74 2HD2 LEU 74 5.425 -15.757 -0.056 577 H LEU 75 H LEU 75 -0.114 -13.577 -0.678 578 HA LEU 75 HA LEU 75 -0.703 -12.064 1.683 579 HB2 LEU 75 2HB LEU 75 -2.385 -13.301 -0.471 580 HB3 LEU 75 3HB LEU 75 -3.132 -12.677 0.985 581 HG LEU 75 HG LEU 75 -3.289 -11.009 -0.723 582 HD11 LEU 75 1HD1 LEU 75 -1.160 -10.289 1.277 583 HD12 LEU 75 2HD1 LEU 75 -2.905 -10.175 1.501 584 HD13 LEU 75 3HD1 LEU 75 -2.099 -9.137 0.324 585 HD21 LEU 75 3HD2 LEU 75 -0.293 -11.220 -0.998 586 HD22 LEU 75 1HD2 LEU 75 -1.325 -10.039 -1.810 587 HD23 LEU 75 2HD2 LEU 75 -1.491 -11.755 -2.176 588 H ASN 76 H ASN 76 0.045 -13.334 3.378 589 HA ASN 76 HA ASN 76 -1.199 -15.884 3.940 590 HB2 ASN 76 2HB ASN 76 1.111 -15.424 4.677 591 HB3 ASN 76 3HB ASN 76 0.525 -14.111 5.690 592 HD21 ASN 76 1HD2 ASN 76 -0.968 -17.285 5.227 593 HD22 ASN 76 2HD2 ASN 76 -0.791 -17.788 6.879 594 H GLU 77 H GLU 77 -1.375 -12.566 5.132 595 HA GLU 77 HA GLU 77 -3.995 -13.198 6.303 596 HB2 GLU 77 2HB GLU 77 -2.382 -12.747 8.084 597 HB3 GLU 77 3HB GLU 77 -1.927 -11.232 7.319 598 HG2 GLU 77 2HG GLU 77 -4.001 -10.236 7.830 599 HG3 GLU 77 3HG GLU 77 -4.723 -11.785 8.257 600 H TRP 78 H TRP 78 -5.652 -11.754 5.854 601 HA TRP 78 HA TRP 78 -5.090 -10.031 3.544 602 HB2 TRP 78 2HB TRP 78 -7.626 -11.312 4.559 603 HB3 TRP 78 3HB TRP 78 -7.599 -10.148 3.239 604 HD1 TRP 78 HD1 TRP 78 -6.361 -13.701 4.097 605 HE1 TRP 78 HE1 TRP 78 -5.955 -14.970 1.889 606 HE3 TRP 78 HE3 TRP 78 -7.182 -9.877 0.807 607 HZ2 TRP 78 HZ2 TRP 78 -6.000 -14.418 -0.872 608 HZ3 TRP 78 HZ3 TRP 78 -6.985 -10.332 -1.604 609 HH2 TRP 78 HH2 TRP 78 -6.406 -12.558 -2.425 610 H LYS 79 H LYS 79 -5.087 -9.591 6.653 611 HA LYS 79 HA LYS 79 -6.286 -6.909 6.483 612 HB2 LYS 79 2HB LYS 79 -7.632 -8.495 7.880 613 HB3 LYS 79 3HB LYS 79 -6.230 -8.726 8.908 614 HG2 LYS 79 2HG LYS 79 -6.299 -6.327 9.485 615 HG3 LYS 79 3HG LYS 79 -7.766 -6.168 8.516 616 HD2 LYS 79 2HD LYS 79 -8.820 -7.915 9.935 617 HD3 LYS 79 3HD LYS 79 -7.383 -7.898 10.955 618 HE2 LYS 79 2HE LYS 79 -9.364 -5.679 10.505 619 HE3 LYS 79 3HE LYS 79 -9.014 -6.528 12.010 620 HZ1 LYS 79 3HZ LYS 79 -6.698 -5.586 11.792 621 HZ2 LYS 79 1HZ LYS 79 -7.923 -4.457 12.138 622 HZ3 LYS 79 2HZ LYS 79 -7.313 -4.584 10.565 623 H PHE 80 H PHE 80 -4.752 -5.359 6.817 624 HA PHE 80 HA PHE 80 -2.606 -5.787 8.669 625 HB2 PHE 80 2HB PHE 80 -0.787 -5.519 6.964 626 HB3 PHE 80 3HB PHE 80 -1.639 -7.056 6.900 627 HD1 PHE 80 HD2 PHE 80 -3.089 -7.600 5.035 628 HD2 PHE 80 HD1 PHE 80 -0.967 -3.911 5.172 629 HE1 PHE 80 HE2 PHE 80 -3.523 -7.264 2.639 630 HE2 PHE 80 HE1 PHE 80 -1.398 -3.575 2.776 631 HZ PHE 80 HZ PHE 80 -2.677 -5.249 1.505 632 H ARG 81 H ARG 81 -1.156 -3.997 8.850 633 HA ARG 81 HA ARG 81 -2.280 -1.457 7.883 634 HB2 ARG 81 2HB ARG 81 -1.109 -2.087 10.603 635 HB3 ARG 81 3HB ARG 81 -1.565 -0.479 10.059 636 HG2 ARG 81 2HG ARG 81 -3.832 -0.967 10.096 637 HG3 ARG 81 3HG ARG 81 -3.555 -2.708 10.066 638 HD2 ARG 81 2HD ARG 81 -2.799 -0.913 12.361 639 HD3 ARG 81 3HD ARG 81 -4.310 -1.819 12.273 640 HE ARG 81 HE ARG 81 -2.093 -3.547 11.896 641 HH11 ARG 81 1HH1 ARG 81 -3.797 -1.760 14.380 642 HH12 ARG 81 2HH1 ARG 81 -3.330 -2.846 15.663 643 HH21 ARG 81 1HH2 ARG 81 -1.447 -4.965 13.593 644 HH22 ARG 81 2HH2 ARG 81 -1.986 -4.649 15.214 645 H LEU 82 H LEU 82 -0.866 -0.163 6.883 646 HA LEU 82 HA LEU 82 1.969 -0.966 6.940 647 HB2 LEU 82 2HB LEU 82 0.460 0.485 4.762 648 HB3 LEU 82 3HB LEU 82 2.129 -0.043 4.692 649 HG LEU 82 HG LEU 82 -0.251 -1.888 4.886 650 HD11 LEU 82 1HD1 LEU 82 0.234 -2.432 2.552 651 HD12 LEU 82 2HD1 LEU 82 1.489 -1.194 2.523 652 HD13 LEU 82 3HD1 LEU 82 -0.197 -0.732 2.741 653 HD21 LEU 82 3HD2 LEU 82 1.383 -3.630 4.340 654 HD22 LEU 82 1HD2 LEU 82 1.745 -2.839 5.873 655 HD23 LEU 82 2HD2 LEU 82 2.677 -2.437 4.430 656 H TYR 83 H TYR 83 3.530 0.584 7.229 657 HA TYR 83 HA TYR 83 2.558 3.300 7.828 658 HB2 TYR 83 2HB TYR 83 4.749 1.711 9.182 659 HB3 TYR 83 3HB TYR 83 4.493 3.434 9.440 660 HD1 TYR 83 HD2 TYR 83 2.900 0.100 9.821 661 HD2 TYR 83 HD1 TYR 83 2.870 4.198 10.964 662 HE1 TYR 83 HE2 TYR 83 1.245 -0.405 11.570 663 HE2 TYR 83 HE1 TYR 83 1.217 3.705 12.715 664 HH TYR 83 HH TYR 83 0.454 0.524 13.693 665 H TYR 84 H TYR 84 3.190 4.659 6.318 666 HA TYR 84 HA TYR 84 5.602 4.058 4.772 667 HB2 TYR 84 2HB TYR 84 3.561 4.460 3.479 668 HB3 TYR 84 3HB TYR 84 3.369 6.033 4.242 669 HD1 TYR 84 HD1 TYR 84 5.698 4.086 2.078 670 HD2 TYR 84 HD2 TYR 84 4.307 7.930 3.257 671 HE1 TYR 84 HE1 TYR 84 7.018 5.113 0.273 672 HE2 TYR 84 HE2 TYR 84 5.634 8.969 1.467 673 HH TYR 84 HH TYR 84 7.616 8.460 0.105 674 H THR 85 H THR 85 7.342 4.835 5.784 675 HA THR 85 HA THR 85 7.310 7.522 6.902 676 HB THR 85 HB THR 85 9.635 5.594 6.638 677 HG1 THR 85 HG1 THR 85 7.844 6.053 8.817 678 HG21 THR 85 3HG2 THR 85 10.651 6.960 8.411 679 HG22 THR 85 1HG2 THR 85 9.259 8.044 8.370 680 HG23 THR 85 2HG2 THR 85 10.322 7.916 6.967 681 H SER 86 H SER 86 7.400 9.124 5.444 682 HA SER 86 HA SER 86 8.523 8.714 2.839 683 HB2 SER 86 2HB SER 86 7.927 11.103 2.485 684 HB3 SER 86 3HB SER 86 6.577 10.144 3.091 685 HG SER 86 HG SER 86 8.281 11.775 4.673 686 H GLN 87 H GLN 87 10.364 9.636 1.964 687 HA GLN 87 HA GLN 87 12.201 10.920 3.878 688 HB2 GLN 87 2HB GLN 87 12.931 8.955 1.693 689 HB3 GLN 87 3HB GLN 87 14.075 9.783 2.742 690 HG2 GLN 87 2HG GLN 87 12.938 8.657 4.682 691 HG3 GLN 87 3HG GLN 87 12.048 7.702 3.499 692 HE21 GLN 87 1HE2 GLN 87 13.137 6.157 2.276 693 HE22 GLN 87 2HE2 GLN 87 14.707 5.585 2.714 694 H SER 88 H SER 88 10.275 11.964 1.903 695 HA SER 88 HA SER 88 12.146 13.568 0.333 696 HB2 SER 88 2HB SER 88 11.266 11.713 -1.099 697 HB3 SER 88 3HB SER 88 9.638 12.338 -0.837 698 HG SER 88 HG SER 88 11.777 13.847 -1.939 699 H ASP 89 H ASP 89 11.569 15.670 0.119 700 HA ASP 89 HA ASP 89 9.157 16.580 1.514 701 HB2 ASP 89 2HB ASP 89 10.175 18.747 1.577 702 HB3 ASP 89 3HB ASP 89 11.446 17.595 1.975 703 H LYS 90 H LYS 90 10.045 15.678 -1.488 704 HA LYS 90 HA LYS 90 9.006 17.843 -3.046 705 HB2 LYS 90 2HB LYS 90 9.803 15.035 -3.832 706 HB3 LYS 90 3HB LYS 90 9.423 16.332 -4.958 707 HG2 LYS 90 2HG LYS 90 11.311 17.623 -4.163 708 HG3 LYS 90 3HG LYS 90 11.664 16.401 -2.945 709 HD2 LYS 90 2HD LYS 90 12.145 14.775 -4.695 710 HD3 LYS 90 3HD LYS 90 11.736 15.968 -5.930 711 HE2 LYS 90 2HE LYS 90 14.141 15.832 -5.690 712 HE3 LYS 90 3HE LYS 90 13.574 17.399 -5.122 713 HZ1 LYS 90 3HZ LYS 90 13.616 16.371 -2.828 714 HZ2 LYS 90 1HZ LYS 90 15.123 16.664 -3.541 715 HZ3 LYS 90 2HZ LYS 90 14.493 15.093 -3.508 716 H GLU 91 H GLU 91 7.069 18.019 -4.038 717 HA GLU 91 HA GLU 91 4.935 16.503 -2.823 718 HB2 GLU 91 2HB GLU 91 4.792 18.745 -4.848 719 HB3 GLU 91 3HB GLU 91 3.455 18.123 -3.887 720 HG2 GLU 91 2HG GLU 91 4.608 18.854 -1.848 721 HG3 GLU 91 3HG GLU 91 5.905 19.519 -2.840 722 H ALA 92 H ALA 92 6.049 14.614 -4.061 723 HA ALA 92 HA ALA 92 4.124 13.773 -5.995 724 HB1 ALA 92 3HB ALA 92 6.970 14.147 -6.929 725 HB2 ALA 92 1HB ALA 92 5.552 15.020 -7.513 726 HB3 ALA 92 2HB ALA 92 5.713 13.289 -7.816 727 H GLN 93 H GLN 93 3.929 12.306 -4.174 728 HA GLN 93 HA GLN 93 5.922 10.141 -4.348 729 HB2 GLN 93 2HB GLN 93 4.373 11.069 -1.928 730 HB3 GLN 93 3HB GLN 93 5.260 9.556 -1.992 731 HG2 GLN 93 2HG GLN 93 7.334 10.804 -2.395 732 HG3 GLN 93 3HG GLN 93 6.432 12.314 -2.272 733 HE21 GLN 93 1HE2 GLN 93 4.714 11.302 -0.142 734 HE22 GLN 93 2HE2 GLN 93 5.687 11.289 1.284 735 H THR 94 H THR 94 4.959 8.690 -5.641 736 HA THR 94 HA THR 94 2.165 7.983 -5.021 737 HB THR 94 HB THR 94 3.535 7.780 -7.714 738 HG1 THR 94 HG1 THR 94 1.346 9.480 -7.280 739 HG21 THR 94 3HG2 THR 94 1.289 7.285 -8.560 740 HG22 THR 94 1HG2 THR 94 0.652 7.345 -6.918 741 HG23 THR 94 2HG2 THR 94 1.801 6.086 -7.373 742 H ILE 95 H ILE 95 1.865 5.987 -4.314 743 HA ILE 95 HA ILE 95 3.879 3.944 -4.993 744 HB ILE 95 HB ILE 95 3.263 2.755 -2.941 745 HG12 ILE 95 2HG1 ILE 95 1.569 5.180 -2.296 746 HG13 ILE 95 3HG1 ILE 95 0.929 3.615 -2.789 747 HG21 ILE 95 1HG2 ILE 95 5.131 4.297 -2.863 748 HG22 ILE 95 2HG2 ILE 95 4.266 4.319 -1.327 749 HG23 ILE 95 3HG2 ILE 95 4.043 5.633 -2.481 750 HD11 ILE 95 3HD1 ILE 95 1.888 2.598 -0.786 751 HD12 ILE 95 1HD1 ILE 95 0.784 3.912 -0.384 752 HD13 ILE 95 2HD1 ILE 95 2.527 4.167 -0.296 753 H ASP 96 H ASP 96 3.130 1.888 -5.624 754 HA ASP 96 HA ASP 96 0.237 1.672 -6.094 755 HB2 ASP 96 2HB ASP 96 1.644 2.376 -8.149 756 HB3 ASP 96 3HB ASP 96 2.233 0.718 -8.131 757 H LEU 97 H LEU 97 -0.551 -0.139 -5.314 758 HA LEU 97 HA LEU 97 1.288 -2.287 -4.558 759 HB2 LEU 97 2HB LEU 97 -1.602 -1.820 -3.810 760 HB3 LEU 97 3HB LEU 97 -0.588 -3.107 -3.190 761 HG LEU 97 HG LEU 97 -0.122 -0.157 -2.724 762 HD11 LEU 97 1HD1 LEU 97 -2.117 -0.967 -1.576 763 HD12 LEU 97 2HD1 LEU 97 -0.822 -0.629 -0.428 764 HD13 LEU 97 3HD1 LEU 97 -1.188 -2.295 -0.879 765 HD21 LEU 97 3HD2 LEU 97 1.536 -0.953 -1.079 766 HD22 LEU 97 1HD2 LEU 97 1.951 -1.413 -2.730 767 HD23 LEU 97 2HD2 LEU 97 1.261 -2.606 -1.632 768 H TYR 98 H TYR 98 1.533 -3.847 -6.010 769 HA TYR 98 HA TYR 98 -0.593 -4.401 -7.925 770 HB2 TYR 98 2HB TYR 98 2.280 -5.296 -7.731 771 HB3 TYR 98 3HB TYR 98 1.162 -5.959 -8.912 772 HD1 TYR 98 HD2 TYR 98 2.851 -2.839 -7.829 773 HD2 TYR 98 HD1 TYR 98 0.689 -4.808 -10.917 774 HE1 TYR 98 HE2 TYR 98 3.403 -1.012 -9.381 775 HE2 TYR 98 HE1 TYR 98 1.245 -2.990 -12.475 776 HH TYR 98 HH TYR 98 1.882 -0.632 -12.402 777 H PHE 99 H PHE 99 -2.131 -5.572 -6.874 778 HA PHE 99 HA PHE 99 -1.370 -7.993 -5.436 779 HB2 PHE 99 2HB PHE 99 -4.049 -6.706 -5.991 780 HB3 PHE 99 3HB PHE 99 -3.870 -8.241 -5.156 781 HD1 PHE 99 HD2 PHE 99 -3.321 -4.613 -4.938 782 HD2 PHE 99 HD1 PHE 99 -3.133 -8.338 -2.883 783 HE1 PHE 99 HE2 PHE 99 -3.084 -3.420 -2.798 784 HE2 PHE 99 HE1 PHE 99 -2.894 -7.150 -0.745 785 HZ PHE 99 HZ PHE 99 -2.871 -4.689 -0.697 786 H GLU 100 H GLU 100 -1.354 -9.965 -6.367 787 HA GLU 100 HA GLU 100 -2.614 -10.222 -9.013 788 HB2 GLU 100 2HB GLU 100 -0.482 -11.930 -7.701 789 HB3 GLU 100 3HB GLU 100 -1.164 -12.216 -9.298 790 HG2 GLU 100 2HG GLU 100 -0.283 -10.093 -10.076 791 HG3 GLU 100 3HG GLU 100 0.356 -9.754 -8.470 792 H ASP 101 H ASP 101 -4.455 -11.277 -9.125 793 HA ASP 101 HA ASP 101 -5.241 -13.012 -6.869 794 HB2 ASP 101 2HB ASP 101 -7.053 -11.382 -8.671 795 HB3 ASP 101 3HB ASP 101 -7.562 -12.367 -7.306 796 H ASN 102 H ASN 102 -5.362 -15.085 -7.406 797 HA ASN 102 HA ASN 102 -5.637 -17.014 -8.582 798 HB2 ASN 102 2HB ASN 102 -7.557 -15.244 -10.108 799 HB3 ASN 102 3HB ASN 102 -7.383 -16.966 -10.428 800 HD21 ASN 102 1HD2 ASN 102 -9.531 -17.300 -9.898 801 HD22 ASN 102 2HD2 ASN 102 -10.089 -17.293 -8.256 802 H TRP 103 H TRP 103 -3.700 -14.843 -9.453 803 HA TRP 103 HA TRP 103 -2.016 -14.605 -10.937 804 HB2 TRP 103 2HB TRP 103 -3.112 -17.094 -12.258 805 HB3 TRP 103 3HB TRP 103 -1.572 -16.331 -12.644 806 HD1 TRP 103 HD1 TRP 103 -2.902 -19.064 -10.667 807 HE1 TRP 103 HE1 TRP 103 -1.251 -19.811 -8.837 808 HE3 TRP 103 HE3 TRP 103 0.257 -15.047 -10.753 809 HZ2 TRP 103 HZ2 TRP 103 1.083 -18.820 -7.602 810 HZ3 TRP 103 HZ3 TRP 103 2.173 -15.024 -9.212 811 HH2 TRP 103 HH2 TRP 103 2.575 -16.872 -7.668 812 H GLY 104 H GLY 104 -5.147 -15.341 -12.416 813 HA2 GLY 104 2HA GLY 104 -4.638 -14.034 -14.874 814 HA3 GLY 104 3HA GLY 104 -6.220 -14.443 -14.232 815 H ASN 105 H ASN 105 -6.157 -12.918 -11.869 816 HA ASN 105 HA ASN 105 -6.730 -10.337 -13.061 817 HB2 ASN 105 2HB ASN 105 -7.420 -11.677 -10.500 818 HB3 ASN 105 3HB ASN 105 -7.365 -9.919 -10.504 819 HD21 ASN 105 1HD2 ASN 105 -9.525 -9.640 -10.207 820 HD22 ASN 105 2HD2 ASN 105 -10.701 -10.016 -11.431 821 H LEU 106 H LEU 106 -5.562 -8.562 -12.861 822 HA LEU 106 HA LEU 106 -3.496 -8.465 -10.765 823 HB2 LEU 106 2HB LEU 106 -2.583 -8.440 -13.079 824 HB3 LEU 106 3HB LEU 106 -3.526 -7.001 -13.412 825 HG LEU 106 HG LEU 106 -2.243 -5.765 -11.711 826 HD11 LEU 106 1HD1 LEU 106 -0.222 -6.762 -10.755 827 HD12 LEU 106 2HD1 LEU 106 -0.646 -8.312 -11.481 828 HD13 LEU 106 3HD1 LEU 106 -1.677 -7.609 -10.234 829 HD21 LEU 106 3HD2 LEU 106 -0.537 -7.157 -13.776 830 HD22 LEU 106 1HD2 LEU 106 -0.131 -5.654 -12.945 831 HD23 LEU 106 2HD2 LEU 106 -1.514 -5.712 -14.036 832 H GLN 107 H GLN 107 -3.876 -7.024 -9.221 833 HA GLN 107 HA GLN 107 -5.856 -4.906 -9.763 834 HB2 GLN 107 2HB GLN 107 -6.777 -6.660 -8.337 835 HB3 GLN 107 3HB GLN 107 -5.404 -6.530 -7.251 836 HG2 GLN 107 2HG GLN 107 -6.087 -4.380 -6.514 837 HG3 GLN 107 3HG GLN 107 -7.333 -4.289 -7.760 838 HE21 GLN 107 1HE2 GLN 107 -6.712 -7.257 -6.054 839 HE22 GLN 107 2HE2 GLN 107 -8.162 -7.244 -5.115 840 H GLN 108 H GLN 108 -4.865 -3.033 -9.825 841 HA GLN 108 HA GLN 108 -2.433 -2.636 -8.232 842 HB2 GLN 108 2HB GLN 108 -3.400 -0.986 -10.570 843 HB3 GLN 108 3HB GLN 108 -1.823 -0.914 -9.801 844 HG2 GLN 108 2HG GLN 108 -1.271 -2.140 -11.612 845 HG3 GLN 108 3HG GLN 108 -1.757 -3.452 -10.542 846 HE21 GLN 108 1HE2 GLN 108 -1.716 -3.292 -13.465 847 HE22 GLN 108 2HE2 GLN 108 -3.338 -3.664 -13.973 848 H LEU 109 H LEU 109 -2.862 -1.680 -6.349 849 HA LEU 109 HA LEU 109 -4.916 0.414 -6.261 850 HB2 LEU 109 2HB LEU 109 -3.456 -0.993 -4.023 851 HB3 LEU 109 3HB LEU 109 -4.649 0.271 -3.796 852 HG LEU 109 HG LEU 109 -5.159 -2.452 -4.997 853 HD11 LEU 109 1HD1 LEU 109 -6.505 -2.824 -3.003 854 HD12 LEU 109 2HD1 LEU 109 -6.050 -1.235 -2.390 855 HD13 LEU 109 3HD1 LEU 109 -4.825 -2.489 -2.578 856 HD21 LEU 109 3HD2 LEU 109 -7.060 -0.167 -4.475 857 HD22 LEU 109 1HD2 LEU 109 -7.518 -1.791 -4.992 858 HD23 LEU 109 2HD2 LEU 109 -6.559 -0.765 -6.059 859 H THR 110 H THR 110 -4.224 2.398 -6.645 860 HA THR 110 HA THR 110 -1.434 3.073 -6.064 861 HB THR 110 HB THR 110 -2.130 3.495 -8.359 862 HG1 THR 110 HG1 THR 110 -1.786 5.886 -6.831 863 HG21 THR 110 3HG2 THR 110 -4.520 3.808 -8.021 864 HG22 THR 110 1HG2 THR 110 -3.839 5.182 -8.890 865 HG23 THR 110 2HG2 THR 110 -4.220 5.325 -7.173 866 H TYR 111 H TYR 111 -0.847 4.739 -4.750 867 HA TYR 111 HA TYR 111 -2.970 6.400 -3.576 868 HB2 TYR 111 2HB TYR 111 -0.705 5.091 -2.050 869 HB3 TYR 111 3HB TYR 111 -1.788 6.307 -1.386 870 HD1 TYR 111 HD2 TYR 111 -4.239 5.765 -1.171 871 HD2 TYR 111 HD1 TYR 111 -1.325 2.815 -2.117 872 HE1 TYR 111 HE2 TYR 111 -5.820 4.001 -0.512 873 HE2 TYR 111 HE1 TYR 111 -2.898 1.041 -1.462 874 HH TYR 111 HH TYR 111 -6.184 1.579 -1.014 875 H ASP 112 H ASP 112 -2.522 8.510 -3.655 876 HA ASP 112 HA ASP 112 0.201 9.269 -4.475 877 HB2 ASP 112 2HB ASP 112 -2.470 10.530 -5.082 878 HB3 ASP 112 3HB ASP 112 -0.943 11.341 -5.399 879 H PHE 113 H PHE 113 1.361 10.396 -3.115 880 HA PHE 113 HA PHE 113 0.019 11.791 -0.902 881 HB2 PHE 113 2HB PHE 113 2.902 10.902 -1.170 882 HB3 PHE 113 3HB PHE 113 2.225 11.746 0.217 883 HD1 PHE 113 HD2 PHE 113 0.547 10.621 1.646 884 HD2 PHE 113 HD1 PHE 113 2.623 8.574 -1.453 885 HE1 PHE 113 HE2 PHE 113 -0.075 8.465 2.654 886 HE2 PHE 113 HE1 PHE 113 2.007 6.418 -0.449 887 HZ PHE 113 HZ PHE 113 0.656 6.360 1.607 888 H ASN 114 H ASN 114 0.437 13.897 -0.447 889 HA ASN 114 HA ASN 114 0.896 16.071 -0.783 890 HB2 ASN 114 2HB ASN 114 3.201 14.868 -2.260 891 HB3 ASN 114 3HB ASN 114 2.886 16.592 -2.407 892 HD21 ASN 114 1HD2 ASN 114 5.167 15.281 -1.215 893 HD22 ASN 114 2HD2 ASN 114 5.225 15.806 0.429 894 H GLY 115 H GLY 115 -1.115 16.329 -1.734 895 HA2 GLY 115 2HA GLY 115 -1.311 16.254 -4.635 896 HA3 GLY 115 3HA GLY 115 -2.599 16.657 -3.507 897 H LYS 116 H LYS 116 0.612 18.088 -3.660 898 HA LYS 116 HA LYS 116 1.416 20.101 -4.305 899 HB2 LYS 116 2HB LYS 116 -1.263 20.358 -5.661 900 HB3 LYS 116 3HB LYS 116 0.009 21.566 -5.789 901 HG2 LYS 116 2HG LYS 116 1.457 20.025 -6.894 902 HG3 LYS 116 3HG LYS 116 0.351 18.686 -6.585 903 HD2 LYS 116 2HD LYS 116 -0.011 19.263 -8.832 904 HD3 LYS 116 3HD LYS 116 -1.355 19.992 -7.958 905 HE2 LYS 116 2HE LYS 116 1.147 21.470 -8.759 906 HE3 LYS 116 3HE LYS 116 -0.330 21.446 -9.716 907 HZ1 LYS 116 3HZ LYS 116 -0.486 23.391 -8.500 908 HZ2 LYS 116 1HZ LYS 116 0.150 22.695 -7.087 909 HZ3 LYS 116 2HZ LYS 116 -1.426 22.313 -7.586 910 H LEU 117 H LEU 117 -1.323 19.768 -2.358 911 HA LEU 117 HA LEU 117 -2.321 21.013 -0.746 912 HB2 LEU 117 2HB LEU 117 0.329 22.462 -0.805 913 HB3 LEU 117 3HB LEU 117 -0.904 22.713 0.415 914 HG LEU 117 HG LEU 117 0.521 20.098 -0.085 915 HD11 LEU 117 1HD1 LEU 117 0.887 22.158 2.083 916 HD12 LEU 117 2HD1 LEU 117 2.041 21.764 0.808 917 HD13 LEU 117 3HD1 LEU 117 1.648 20.567 2.042 918 HD21 LEU 117 3HD2 LEU 117 -1.742 19.830 0.808 919 HD22 LEU 117 1HD2 LEU 117 -1.357 20.952 2.115 920 HD23 LEU 117 2HD2 LEU 117 -0.520 19.403 2.006 921 H GLU 118 H GLU 118 -0.517 23.819 -1.610 922 HA GLU 118 HA GLU 118 -1.028 25.839 -2.431 923 HB2 GLU 118 2HB GLU 118 -1.019 24.497 -4.515 924 HB3 GLU 118 3HB GLU 118 -2.760 24.306 -4.364 925 HG2 GLU 118 2HG GLU 118 -2.995 26.765 -4.472 926 HG3 GLU 118 3HG GLU 118 -1.259 26.883 -4.743 927 H HIS 119 H HIS 119 -2.246 26.183 -0.331 928 HA HIS 119 HA HIS 119 -4.886 27.169 -1.185 929 HB2 HIS 119 2HB HIS 119 -5.450 27.592 1.126 930 HB3 HIS 119 3HB HIS 119 -4.913 25.930 0.981 931 HD1 HIS 119 HD1 HIS 119 -3.154 25.188 2.579 932 HD2 HIS 119 HD2 HIS 119 -3.446 29.332 2.362 933 HE1 HIS 119 HE1 HIS 119 -1.697 26.070 4.432 934 HE2 HIS 119 HE2 HIS 119 -2.050 28.566 4.402 935 H HIS 120 H HIS 120 -5.242 29.449 -1.144 936 HA HIS 120 HA HIS 120 -2.978 30.609 -2.347 937 HB2 HIS 120 2HB HIS 120 -5.447 31.084 -2.833 938 HB3 HIS 120 3HB HIS 120 -5.365 32.212 -1.483 939 HD1 HIS 120 HD1 HIS 120 -4.268 31.731 -4.994 940 HD2 HIS 120 HD2 HIS 120 -3.765 34.500 -1.933 941 HE1 HIS 120 HE1 HIS 120 -3.228 33.757 -6.072 942 HE2 HIS 120 HE2 HIS 120 -2.711 35.306 -4.153 943 H HIS 121 H HIS 121 -1.264 30.966 -1.167 944 HA HIS 121 HA HIS 121 -0.927 33.311 0.254 945 HB2 HIS 121 2HB HIS 121 -2.279 32.232 2.047 946 HB3 HIS 121 3HB HIS 121 -1.107 30.920 2.121 947 HD1 HIS 121 HD1 HIS 121 -1.636 34.479 3.132 948 HD2 HIS 121 HD2 HIS 121 1.313 31.557 3.420 949 HE1 HIS 121 HE1 HIS 121 0.035 35.357 4.792 950 HE2 HIS 121 HE2 HIS 121 1.905 33.666 4.792 951 H HIS 122 H HIS 122 0.849 33.260 -1.150 952 HA HIS 122 HA HIS 122 2.805 31.129 -0.841 953 HB2 HIS 122 2HB HIS 122 2.257 32.010 -3.098 954 HB3 HIS 122 3HB HIS 122 2.873 33.584 -2.611 955 HD1 HIS 122 HD1 HIS 122 4.054 30.066 -3.337 956 HD2 HIS 122 HD2 HIS 122 5.598 33.893 -2.792 957 HE1 HIS 122 HE1 HIS 122 6.485 29.916 -3.973 958 HE2 HIS 122 HE2 HIS 122 7.374 32.264 -3.751 959 H HIS 123 H HIS 123 4.250 31.231 0.723 960 HA HIS 123 HA HIS 123 4.706 33.666 2.169 961 HB2 HIS 123 2HB HIS 123 6.225 32.354 3.568 962 HB3 HIS 123 3HB HIS 123 4.698 31.514 3.348 963 HD1 HIS 123 HD1 HIS 123 4.816 29.155 2.489 964 HD2 HIS 123 HD2 HIS 123 8.410 31.206 2.039 965 HE1 HIS 123 HE1 HIS 123 6.488 27.440 1.728 966 HE2 HIS 123 HE2 HIS 123 8.694 28.659 1.681 967 H HIS 124 H HIS 124 6.550 34.906 2.275 968 HA HIS 124 HA HIS 124 8.851 34.238 0.674 969 HB2 HIS 124 2HB HIS 124 7.221 35.288 -0.948 970 HB3 HIS 124 3HB HIS 124 7.333 36.768 -0.001 971 HD1 HIS 124 HD1 HIS 124 9.021 38.378 -0.843 972 HD2 HIS 124 HD2 HIS 124 9.955 34.453 -1.861 973 HE1 HIS 124 HE1 HIS 124 11.090 38.516 -2.269 974 HE2 HIS 124 HE2 HIS 124 11.743 36.118 -2.700 Start of MODEL 20 1 H1 MET 1 1H MET 1 -38.565 -12.203 -16.918 2 H2 MET 1 2H MET 1 -38.008 -11.045 -18.023 3 H3 MET 1 3H MET 1 -39.563 -10.906 -17.368 4 HA MET 1 HA MET 1 -38.118 -9.337 -16.306 5 HB2 MET 1 2HB MET 1 -39.893 -10.550 -15.003 6 HB3 MET 1 3HB MET 1 -38.665 -11.688 -14.474 7 HG2 MET 1 2HG MET 1 -39.010 -10.114 -12.731 8 HG3 MET 1 3HG MET 1 -37.435 -9.783 -13.453 9 HE1 MET 1 3HE MET 1 -37.479 -7.423 -12.174 10 HE2 MET 1 1HE MET 1 -39.087 -7.770 -11.541 11 HE3 MET 1 2HE MET 1 -38.777 -6.243 -12.364 12 H ASN 2 H ASN 2 -36.095 -8.830 -15.423 13 HA ASN 2 HA ASN 2 -34.003 -10.763 -15.843 14 HB2 ASN 2 2HB ASN 2 -33.979 -7.995 -14.630 15 HB3 ASN 2 3HB ASN 2 -32.538 -9.001 -14.755 16 HD21 ASN 2 1HD2 ASN 2 -34.821 -7.047 -16.451 17 HD22 ASN 2 2HD2 ASN 2 -33.981 -7.022 -17.970 18 H GLU 3 H GLU 3 -33.838 -12.424 -14.527 19 HA GLU 3 HA GLU 3 -34.922 -12.483 -11.914 20 HB2 GLU 3 2HB GLU 3 -32.883 -14.363 -13.111 21 HB3 GLU 3 3HB GLU 3 -33.952 -14.694 -11.756 22 HG2 GLU 3 2HG GLU 3 -34.825 -14.203 -14.595 23 HG3 GLU 3 3HG GLU 3 -34.704 -15.778 -13.815 24 H LEU 4 H LEU 4 -31.589 -12.327 -13.144 25 HA LEU 4 HA LEU 4 -30.771 -11.347 -10.488 26 HB2 LEU 4 2HB LEU 4 -29.196 -12.919 -12.523 27 HB3 LEU 4 3HB LEU 4 -28.459 -12.110 -11.156 28 HG LEU 4 HG LEU 4 -30.007 -13.546 -9.695 29 HD11 LEU 4 1HD1 LEU 4 -30.148 -15.138 -12.251 30 HD12 LEU 4 2HD1 LEU 4 -31.500 -14.314 -11.480 31 HD13 LEU 4 3HD1 LEU 4 -30.711 -15.664 -10.666 32 HD21 LEU 4 3HD2 LEU 4 -27.816 -14.820 -11.318 33 HD22 LEU 4 1HD2 LEU 4 -28.430 -15.411 -9.774 34 HD23 LEU 4 2HD2 LEU 4 -27.603 -13.855 -9.857 35 H ASP 5 H ASP 5 -30.929 -9.160 -10.785 36 HA ASP 5 HA ASP 5 -29.609 -7.921 -13.059 37 HB2 ASP 5 2HB ASP 5 -31.690 -6.923 -12.158 38 HB3 ASP 5 3HB ASP 5 -30.886 -6.653 -10.616 39 H ILE 6 H ILE 6 -28.050 -6.089 -12.520 40 HA ILE 6 HA ILE 6 -26.030 -5.401 -11.751 41 HB ILE 6 HB ILE 6 -26.454 -7.173 -9.337 42 HG12 ILE 6 2HG1 ILE 6 -27.034 -4.214 -9.595 43 HG13 ILE 6 3HG1 ILE 6 -28.270 -5.462 -9.704 44 HG21 ILE 6 1HG2 ILE 6 -24.842 -5.649 -8.268 45 HG22 ILE 6 2HG2 ILE 6 -24.631 -4.810 -9.805 46 HG23 ILE 6 3HG2 ILE 6 -24.139 -6.496 -9.645 47 HD11 ILE 6 3HD1 ILE 6 -28.208 -4.458 -7.495 48 HD12 ILE 6 1HD1 ILE 6 -26.517 -4.927 -7.318 49 HD13 ILE 6 2HD1 ILE 6 -27.770 -6.165 -7.431 50 H GLN 7 H GLN 7 -25.150 -6.456 -13.525 51 HA GLN 7 HA GLN 7 -24.063 -9.136 -13.053 52 HB2 GLN 7 2HB GLN 7 -23.673 -9.078 -15.578 53 HB3 GLN 7 3HB GLN 7 -25.330 -9.191 -15.014 54 HG2 GLN 7 2HG GLN 7 -25.358 -7.676 -16.799 55 HG3 GLN 7 3HG GLN 7 -25.484 -6.695 -15.343 56 HE21 GLN 7 1HE2 GLN 7 -23.873 -5.248 -14.859 57 HE22 GLN 7 2HE2 GLN 7 -22.550 -4.914 -15.926 58 H GLN 8 H GLN 8 -22.934 -6.650 -11.999 59 HA GLN 8 HA GLN 8 -20.356 -6.497 -13.380 60 HB2 GLN 8 2HB GLN 8 -21.753 -4.470 -12.518 61 HB3 GLN 8 3HB GLN 8 -21.153 -4.926 -10.933 62 HG2 GLN 8 2HG GLN 8 -19.272 -4.431 -13.206 63 HG3 GLN 8 3HG GLN 8 -19.932 -3.098 -12.266 64 HE21 GLN 8 1HE2 GLN 8 -17.685 -5.700 -12.347 65 HE22 GLN 8 2HE2 GLN 8 -16.962 -5.403 -10.807 66 H GLU 9 H GLU 9 -18.749 -7.773 -12.700 67 HA GLU 9 HA GLU 9 -19.109 -9.719 -10.737 68 HB2 GLU 9 2HB GLU 9 -16.605 -8.716 -12.079 69 HB3 GLU 9 3HB GLU 9 -16.613 -10.083 -10.976 70 HG2 GLU 9 2HG GLU 9 -16.650 -10.902 -13.213 71 HG3 GLU 9 3HG GLU 9 -18.216 -11.225 -12.471 72 H TYR 10 H TYR 10 -18.968 -9.691 -8.618 73 HA TYR 10 HA TYR 10 -17.129 -7.756 -7.368 74 HB2 TYR 10 2HB TYR 10 -19.841 -8.679 -6.418 75 HB3 TYR 10 3HB TYR 10 -18.663 -7.953 -5.330 76 HD1 TYR 10 HD2 TYR 10 -17.660 -5.654 -6.236 77 HD2 TYR 10 HD1 TYR 10 -21.424 -7.292 -7.356 78 HE1 TYR 10 HE2 TYR 10 -18.438 -3.411 -6.874 79 HE2 TYR 10 HE1 TYR 10 -22.212 -5.055 -8.001 80 HH TYR 10 HH TYR 10 -20.169 -2.442 -8.436 81 HA PRO 11 HA PRO 11 -15.733 -11.988 -6.168 82 HB2 PRO 11 2HB PRO 11 -13.055 -10.974 -6.676 83 HB3 PRO 11 3HB PRO 11 -13.886 -12.328 -7.444 84 HG2 PRO 11 2HG PRO 11 -13.294 -10.009 -8.740 85 HG3 PRO 11 3HG PRO 11 -14.670 -11.041 -9.164 86 HD2 PRO 11 2HD PRO 11 -14.618 -8.510 -7.569 87 HD3 PRO 11 3HD PRO 11 -15.806 -9.062 -8.771 88 H PHE 12 H PHE 12 -14.268 -8.823 -5.579 89 HA PHE 12 HA PHE 12 -14.358 -9.242 -2.730 90 HB2 PHE 12 2HB PHE 12 -11.943 -8.758 -2.400 91 HB3 PHE 12 3HB PHE 12 -12.222 -10.293 -3.211 92 HD1 PHE 12 HD1 PHE 12 -11.639 -10.583 -5.560 93 HD2 PHE 12 HD2 PHE 12 -10.881 -6.917 -3.530 94 HE1 PHE 12 HE1 PHE 12 -10.121 -9.900 -7.369 95 HE2 PHE 12 HE2 PHE 12 -9.361 -6.231 -5.340 96 HZ PHE 12 HZ PHE 12 -8.981 -7.722 -7.263 97 H THR 13 H THR 13 -14.018 -7.296 -1.552 98 HA THR 13 HA THR 13 -14.068 -4.863 -3.211 99 HB THR 13 HB THR 13 -15.434 -5.351 -0.552 100 HG1 THR 13 HG1 THR 13 -16.424 -5.046 -3.214 101 HG21 THR 13 3HG2 THR 13 -16.414 -3.135 -0.840 102 HG22 THR 13 1HG2 THR 13 -15.502 -2.908 -2.333 103 HG23 THR 13 2HG2 THR 13 -14.655 -3.025 -0.791 104 H VAL 14 H VAL 14 -12.535 -3.410 -2.837 105 HA VAL 14 HA VAL 14 -10.610 -3.970 -0.704 106 HB VAL 14 HB VAL 14 -10.370 -2.077 -3.053 107 HG11 VAL 14 1HG1 VAL 14 -8.961 -1.402 -1.206 108 HG12 VAL 14 2HG1 VAL 14 -7.969 -2.074 -2.501 109 HG13 VAL 14 3HG1 VAL 14 -8.318 -3.038 -1.067 110 HG21 VAL 14 3HG2 VAL 14 -8.876 -3.765 -4.020 111 HG22 VAL 14 1HG2 VAL 14 -10.512 -4.386 -3.805 112 HG23 VAL 14 2HG2 VAL 14 -9.238 -4.849 -2.676 113 H GLU 15 H GLU 15 -11.198 -2.998 1.163 114 HA GLU 15 HA GLU 15 -12.092 -0.202 1.007 115 HB2 GLU 15 2HB GLU 15 -12.256 -2.137 3.331 116 HB3 GLU 15 3HB GLU 15 -12.905 -0.502 3.302 117 HG2 GLU 15 2HG GLU 15 -14.387 -1.186 1.436 118 HG3 GLU 15 3HG GLU 15 -13.810 -2.842 1.640 119 H SER 16 H SER 16 -10.699 1.329 1.486 120 HA SER 16 HA SER 16 -8.350 0.647 3.123 121 HB2 SER 16 2HB SER 16 -8.650 3.005 1.238 122 HB3 SER 16 3HB SER 16 -7.169 2.442 2.015 123 HG SER 16 HG SER 16 -8.522 0.587 0.461 124 H MET 17 H MET 17 -8.220 1.550 5.090 125 HA MET 17 HA MET 17 -10.274 3.281 6.029 126 HB2 MET 17 2HB MET 17 -7.647 2.434 7.254 127 HB3 MET 17 3HB MET 17 -8.816 3.456 8.082 128 HG2 MET 17 2HG MET 17 -9.226 0.628 7.142 129 HG3 MET 17 3HG MET 17 -9.102 1.195 8.809 130 HE1 MET 17 3HE MET 17 -12.865 0.092 8.449 131 HE2 MET 17 1HE MET 17 -11.357 -0.156 9.328 132 HE3 MET 17 2HE MET 17 -11.483 -0.646 7.639 133 HA PRO 18 HA PRO 18 -9.329 7.316 4.889 134 HB2 PRO 18 2HB PRO 18 -8.999 7.921 7.801 135 HB3 PRO 18 3HB PRO 18 -9.913 8.796 6.566 136 HG2 PRO 18 2HG PRO 18 -11.157 7.188 8.276 137 HG3 PRO 18 3HG PRO 18 -11.651 7.258 6.574 138 HD2 PRO 18 2HD PRO 18 -10.164 5.139 8.028 139 HD3 PRO 18 3HD PRO 18 -11.249 5.005 6.631 140 H VAL 19 H VAL 19 -7.403 7.368 3.888 141 HA VAL 19 HA VAL 19 -4.976 7.645 5.484 142 HB VAL 19 HB VAL 19 -3.775 7.632 3.310 143 HG11 VAL 19 1HG1 VAL 19 -4.140 5.268 2.800 144 HG12 VAL 19 2HG1 VAL 19 -5.645 5.299 3.716 145 HG13 VAL 19 3HG1 VAL 19 -4.107 5.552 4.541 146 HG21 VAL 19 3HG2 VAL 19 -5.500 8.560 1.877 147 HG22 VAL 19 1HG2 VAL 19 -6.516 7.144 2.146 148 HG23 VAL 19 2HG2 VAL 19 -4.993 6.983 1.271 149 H ALA 20 H ALA 20 -3.429 9.384 4.445 150 HA ALA 20 HA ALA 20 -4.825 11.878 4.855 151 HB1 ALA 20 3HB ALA 20 -2.620 12.874 4.962 152 HB2 ALA 20 1HB ALA 20 -1.893 11.371 4.391 153 HB3 ALA 20 2HB ALA 20 -2.684 11.426 5.966 154 H ASP 21 H ASP 21 -4.838 13.636 3.446 155 HA ASP 21 HA ASP 21 -4.922 12.985 0.640 156 HB2 ASP 21 2HB ASP 21 -6.565 14.538 1.499 157 HB3 ASP 21 3HB ASP 21 -5.308 15.583 2.146 158 H GLU 22 H GLU 22 -2.836 14.678 2.842 159 HA GLU 22 HA GLU 22 -0.810 14.934 0.722 160 HB2 GLU 22 2HB GLU 22 -0.033 16.995 1.851 161 HB3 GLU 22 3HB GLU 22 -1.679 17.148 1.252 162 HG2 GLU 22 2HG GLU 22 -2.452 16.557 3.575 163 HG3 GLU 22 3HG GLU 22 -0.775 16.747 4.085 164 H ILE 23 H ILE 23 1.428 15.406 2.008 165 HA ILE 23 HA ILE 23 1.658 14.006 4.494 166 HB ILE 23 HB ILE 23 1.458 12.082 2.974 167 HG12 ILE 23 2HG1 ILE 23 4.283 12.428 4.009 168 HG13 ILE 23 3HG1 ILE 23 2.904 11.916 4.976 169 HG21 ILE 23 1HG2 ILE 23 3.162 11.630 1.281 170 HG22 ILE 23 2HG2 ILE 23 3.911 13.192 1.616 171 HG23 ILE 23 3HG2 ILE 23 2.285 13.121 0.936 172 HD11 ILE 23 3HD1 ILE 23 4.078 10.428 2.641 173 HD12 ILE 23 1HD1 ILE 23 2.687 9.913 3.597 174 HD13 ILE 23 2HD1 ILE 23 4.281 10.028 4.346 175 H ALA 24 H ALA 24 3.585 14.447 5.513 176 HA ALA 24 HA ALA 24 5.219 16.516 4.337 177 HB1 ALA 24 3HB ALA 24 4.618 16.575 6.718 178 HB2 ALA 24 1HB ALA 24 6.365 16.571 6.476 179 HB3 ALA 24 2HB ALA 24 5.543 15.096 6.975 180 H GLY 25 H GLY 25 7.749 16.148 4.932 181 HA2 GLY 25 2HA GLY 25 8.482 14.195 2.947 182 HA3 GLY 25 3HA GLY 25 9.549 15.349 3.726 183 H ASP 26 H ASP 26 8.498 14.294 6.398 184 HA ASP 26 HA ASP 26 9.883 11.691 6.388 185 HB2 ASP 26 2HB ASP 26 10.264 13.935 8.388 186 HB3 ASP 26 3HB ASP 26 10.892 12.304 8.590 187 H GLU 27 H GLU 27 7.158 12.059 6.225 188 HA GLU 27 HA GLU 27 6.137 11.693 8.953 189 HB2 GLU 27 2HB GLU 27 5.156 13.550 7.739 190 HB3 GLU 27 3HB GLU 27 4.746 12.502 6.394 191 HG2 GLU 27 2HG GLU 27 3.049 11.434 7.607 192 HG3 GLU 27 3HG GLU 27 3.633 12.075 9.143 193 H THR 28 H THR 28 4.875 9.926 9.476 194 HA THR 28 HA THR 28 4.944 7.735 7.508 195 HB THR 28 HB THR 28 4.941 7.514 10.525 196 HG1 THR 28 HG1 THR 28 6.914 8.302 9.290 197 HG21 THR 28 3HG2 THR 28 5.435 5.146 10.111 198 HG22 THR 28 1HG2 THR 28 5.292 5.419 8.375 199 HG23 THR 28 2HG2 THR 28 3.881 5.605 9.415 200 H VAL 29 H VAL 29 3.019 7.354 6.676 201 HA VAL 29 HA VAL 29 0.673 7.534 8.443 202 HB VAL 29 HB VAL 29 -0.692 7.564 6.345 203 HG11 VAL 29 1HG1 VAL 29 1.318 9.798 6.621 204 HG12 VAL 29 2HG1 VAL 29 -0.171 9.624 7.549 205 HG13 VAL 29 3HG1 VAL 29 -0.244 9.907 5.810 206 HG21 VAL 29 3HG2 VAL 29 0.900 6.551 4.812 207 HG22 VAL 29 1HG2 VAL 29 1.993 7.921 5.010 208 HG23 VAL 29 2HG2 VAL 29 0.428 8.148 4.230 209 H GLU 30 H GLU 30 -0.493 5.710 8.847 210 HA GLU 30 HA GLU 30 0.578 3.262 7.659 211 HB2 GLU 30 2HB GLU 30 -0.494 2.048 9.490 212 HB3 GLU 30 3HB GLU 30 0.580 3.295 10.094 213 HG2 GLU 30 2HG GLU 30 -2.404 3.631 9.900 214 HG3 GLU 30 3HG GLU 30 -1.580 3.029 11.334 215 H ILE 31 H ILE 31 -0.403 2.483 5.999 216 HA ILE 31 HA ILE 31 -3.121 3.233 5.371 217 HB ILE 31 HB ILE 31 -1.214 1.398 3.904 218 HG12 ILE 31 2HG1 ILE 31 -2.036 4.260 3.354 219 HG13 ILE 31 3HG1 ILE 31 -0.477 3.749 3.992 220 HG21 ILE 31 1HG2 ILE 31 -3.877 2.524 3.034 221 HG22 ILE 31 2HG2 ILE 31 -3.532 0.834 3.409 222 HG23 ILE 31 3HG2 ILE 31 -2.770 1.603 2.016 223 HD11 ILE 31 3HD1 ILE 31 -0.305 4.257 1.641 224 HD12 ILE 31 1HD1 ILE 31 -1.591 3.106 1.274 225 HD13 ILE 31 2HD1 ILE 31 -0.048 2.532 1.907 226 H ARG 32 H ARG 32 -4.652 2.276 6.435 227 HA ARG 32 HA ARG 32 -4.355 -0.466 7.363 228 HB2 ARG 32 2HB ARG 32 -6.612 1.480 7.873 229 HB3 ARG 32 3HB ARG 32 -6.243 0.012 8.776 230 HG2 ARG 32 2HG ARG 32 -4.570 0.978 9.943 231 HG3 ARG 32 3HG ARG 32 -4.094 2.023 8.604 232 HD2 ARG 32 2HD ARG 32 -6.507 3.064 9.162 233 HD3 ARG 32 3HD ARG 32 -6.055 2.473 10.763 234 HE ARG 32 HE ARG 32 -3.875 3.868 9.698 235 HH11 ARG 32 1HH1 ARG 32 -7.102 4.497 10.898 236 HH12 ARG 32 2HH1 ARG 32 -6.769 6.164 11.275 237 HH21 ARG 32 1HH2 ARG 32 -3.419 6.059 10.249 238 HH22 ARG 32 2HH2 ARG 32 -4.695 7.038 10.921 239 H LEU 33 H LEU 33 -4.816 -1.900 5.844 240 HA LEU 33 HA LEU 33 -6.990 -1.274 3.965 241 HB2 LEU 33 2HB LEU 33 -4.712 -1.351 3.005 242 HB3 LEU 33 3HB LEU 33 -4.560 -3.011 3.543 243 HG LEU 33 HG LEU 33 -6.369 -3.683 2.035 244 HD11 LEU 33 1HD1 LEU 33 -7.650 -1.606 2.046 245 HD12 LEU 33 2HD1 LEU 33 -7.267 -2.110 0.399 246 HD13 LEU 33 3HD1 LEU 33 -6.360 -0.801 1.157 247 HD21 LEU 33 3HD2 LEU 33 -4.070 -3.733 1.225 248 HD22 LEU 33 1HD2 LEU 33 -4.226 -2.067 0.671 249 HD23 LEU 33 2HD2 LEU 33 -5.198 -3.337 -0.072 250 H GLU 34 H GLU 34 -8.666 -2.572 3.854 251 HA GLU 34 HA GLU 34 -8.403 -5.344 4.792 252 HB2 GLU 34 2HB GLU 34 -10.664 -3.429 5.412 253 HB3 GLU 34 3HB GLU 34 -10.749 -5.165 5.676 254 HG2 GLU 34 2HG GLU 34 -8.840 -5.001 7.207 255 HG3 GLU 34 3HG GLU 34 -8.829 -3.254 6.979 256 H ILE 35 H ILE 35 -8.655 -6.545 3.030 257 HA ILE 35 HA ILE 35 -10.651 -5.691 1.047 258 HB ILE 35 HB ILE 35 -8.427 -7.708 0.691 259 HG12 ILE 35 2HG1 ILE 35 -8.621 -4.847 -0.279 260 HG13 ILE 35 3HG1 ILE 35 -7.566 -5.416 1.011 261 HG21 ILE 35 1HG2 ILE 35 -10.304 -8.147 -0.764 262 HG22 ILE 35 2HG2 ILE 35 -8.966 -7.491 -1.704 263 HG23 ILE 35 3HG2 ILE 35 -10.337 -6.463 -1.283 264 HD11 ILE 35 3HD1 ILE 35 -6.352 -5.108 -1.073 265 HD12 ILE 35 1HD1 ILE 35 -7.420 -6.262 -1.878 266 HD13 ILE 35 2HD1 ILE 35 -6.353 -6.800 -0.580 267 H LYS 36 H LYS 36 -12.545 -6.617 1.339 268 HA LYS 36 HA LYS 36 -12.632 -9.357 2.394 269 HB2 LYS 36 2HB LYS 36 -13.897 -7.821 3.753 270 HB3 LYS 36 3HB LYS 36 -14.731 -7.186 2.339 271 HG2 LYS 36 2HG LYS 36 -15.645 -9.523 1.997 272 HG3 LYS 36 3HG LYS 36 -15.030 -9.890 3.609 273 HD2 LYS 36 2HD LYS 36 -16.464 -8.294 4.614 274 HD3 LYS 36 3HD LYS 36 -16.892 -7.593 3.050 275 HE2 LYS 36 2HE LYS 36 -17.581 -10.371 4.004 276 HE3 LYS 36 3HE LYS 36 -18.691 -9.004 3.904 277 HZ1 LYS 36 3HZ LYS 36 -18.156 -8.965 1.454 278 HZ2 LYS 36 1HZ LYS 36 -19.051 -10.304 1.990 279 HZ3 LYS 36 2HZ LYS 36 -17.396 -10.465 1.669 280 HA PRO 37 HA PRO 37 -13.985 -10.599 -1.706 281 HB2 PRO 37 2HB PRO 37 -14.459 -13.177 -0.381 282 HB3 PRO 37 3HB PRO 37 -13.376 -12.793 -1.721 283 HG2 PRO 37 2HG PRO 37 -12.451 -13.398 0.736 284 HG3 PRO 37 3HG PRO 37 -11.628 -12.240 -0.325 285 HD2 PRO 37 2HD PRO 37 -13.430 -11.724 2.009 286 HD3 PRO 37 3HD PRO 37 -11.928 -10.898 1.540 287 H SER 38 H SER 38 -16.013 -10.582 -2.539 288 HA SER 38 HA SER 38 -18.272 -10.741 -0.700 289 HB2 SER 38 2HB SER 38 -18.144 -8.909 -2.421 290 HB3 SER 38 3HB SER 38 -18.295 -10.141 -3.673 291 HG SER 38 HG SER 38 -20.331 -10.696 -2.767 292 H GLY 39 H GLY 39 -16.476 -12.654 -2.782 293 HA2 GLY 39 2HA GLY 39 -18.291 -14.890 -2.309 294 HA3 GLY 39 3HA GLY 39 -17.833 -14.559 -3.978 295 H ASN 40 H ASN 40 -17.158 -16.651 -1.691 296 HA ASN 40 HA ASN 40 -14.287 -16.349 -1.555 297 HB2 ASN 40 2HB ASN 40 -16.191 -18.380 -0.417 298 HB3 ASN 40 3HB ASN 40 -14.450 -18.622 -0.362 299 HD21 ASN 40 1HD2 ASN 40 -14.260 -18.511 1.816 300 HD22 ASN 40 2HD2 ASN 40 -14.526 -17.067 2.730 301 H PHE 41 H PHE 41 -13.617 -16.531 -3.660 302 HA PHE 41 HA PHE 41 -14.044 -19.050 -5.056 303 HB2 PHE 41 2HB PHE 41 -12.458 -16.587 -5.830 304 HB3 PHE 41 3HB PHE 41 -12.675 -18.003 -6.854 305 HD1 PHE 41 HD2 PHE 41 -15.037 -18.625 -7.542 306 HD2 PHE 41 HD1 PHE 41 -14.034 -14.867 -5.818 307 HE1 PHE 41 HE2 PHE 41 -17.122 -17.668 -8.429 308 HE2 PHE 41 HE1 PHE 41 -16.121 -13.900 -6.700 309 HZ PHE 41 HZ PHE 41 -17.663 -15.303 -8.009 310 H ILE 42 H ILE 42 -12.009 -20.072 -6.018 311 HA ILE 42 HA ILE 42 -10.329 -20.773 -3.812 312 HB ILE 42 HB ILE 42 -10.979 -22.533 -5.290 313 HG12 ILE 42 2HG1 ILE 42 -8.754 -23.440 -5.992 314 HG13 ILE 42 3HG1 ILE 42 -8.046 -21.872 -5.620 315 HG21 ILE 42 1HG2 ILE 42 -9.651 -20.993 -7.511 316 HG22 ILE 42 2HG2 ILE 42 -11.383 -21.261 -7.306 317 HG23 ILE 42 3HG2 ILE 42 -10.313 -22.622 -7.646 318 HD11 ILE 42 3HD1 ILE 42 -7.665 -23.412 -3.806 319 HD12 ILE 42 1HD1 ILE 42 -9.397 -23.724 -3.671 320 HD13 ILE 42 2HD1 ILE 42 -8.755 -22.128 -3.285 321 H GLY 43 H GLY 43 -8.668 -19.629 -3.187 322 HA2 GLY 43 2HA GLY 43 -6.993 -18.302 -5.232 323 HA3 GLY 43 3HA GLY 43 -7.229 -17.677 -3.605 324 H THR 44 H THR 44 -4.678 -18.040 -4.506 325 HA THR 44 HA THR 44 -3.840 -20.493 -3.104 326 HB THR 44 HB THR 44 -3.493 -20.725 -5.517 327 HG1 THR 44 HG1 THR 44 -1.005 -20.352 -4.171 328 HG21 THR 44 3HG2 THR 44 -1.675 -18.330 -5.275 329 HG22 THR 44 1HG2 THR 44 -3.228 -18.369 -6.112 330 HG23 THR 44 2HG2 THR 44 -1.878 -19.335 -6.711 331 H VAL 45 H VAL 45 -4.244 -17.923 -1.975 332 HA VAL 45 HA VAL 45 -3.310 -16.639 -0.360 333 HB VAL 45 HB VAL 45 -0.731 -18.096 -0.978 334 HG11 VAL 45 1HG1 VAL 45 0.093 -17.164 1.139 335 HG12 VAL 45 2HG1 VAL 45 -1.368 -16.185 1.268 336 HG13 VAL 45 3HG1 VAL 45 -0.233 -15.905 -0.052 337 HG21 VAL 45 3HG2 VAL 45 -2.709 -18.365 1.285 338 HG22 VAL 45 1HG2 VAL 45 -1.181 -19.235 1.150 339 HG23 VAL 45 2HG2 VAL 45 -2.463 -19.516 -0.029 340 H TYR 46 H TYR 46 -2.476 -14.588 -0.296 341 HA TYR 46 HA TYR 46 -2.331 -13.482 -2.976 342 HB2 TYR 46 2HB TYR 46 -2.457 -11.843 -0.465 343 HB3 TYR 46 3HB TYR 46 -3.163 -11.512 -2.045 344 HD1 TYR 46 HD2 TYR 46 -5.093 -13.086 -2.803 345 HD2 TYR 46 HD1 TYR 46 -3.775 -12.734 1.230 346 HE1 TYR 46 HE2 TYR 46 -7.233 -14.020 -2.024 347 HE2 TYR 46 HE1 TYR 46 -5.907 -13.672 2.018 348 HH TYR 46 HH TYR 46 -8.220 -13.909 1.239 349 H THR 47 H THR 47 -0.495 -12.831 -3.876 350 HA THR 47 HA THR 47 1.816 -12.278 -2.157 351 HB THR 47 HB THR 47 1.765 -12.469 -5.177 352 HG1 THR 47 HG1 THR 47 1.088 -14.431 -3.887 353 HG21 THR 47 3HG2 THR 47 3.721 -11.352 -4.222 354 HG22 THR 47 1HG2 THR 47 4.163 -12.913 -4.918 355 HG23 THR 47 2HG2 THR 47 4.009 -12.737 -3.170 356 H LEU 48 H LEU 48 2.613 -10.231 -1.960 357 HA LEU 48 HA LEU 48 1.158 -8.156 -3.456 358 HB2 LEU 48 2HB LEU 48 0.668 -8.170 -1.053 359 HB3 LEU 48 3HB LEU 48 2.375 -8.001 -0.697 360 HG LEU 48 HG LEU 48 2.403 -5.773 -1.659 361 HD11 LEU 48 1HD1 LEU 48 0.771 -6.104 -3.435 362 HD12 LEU 48 2HD1 LEU 48 0.366 -4.698 -2.449 363 HD13 LEU 48 3HD1 LEU 48 -0.522 -6.206 -2.239 364 HD21 LEU 48 3HD2 LEU 48 0.933 -4.643 -0.062 365 HD22 LEU 48 1HD2 LEU 48 1.791 -5.988 0.686 366 HD23 LEU 48 2HD2 LEU 48 0.093 -6.164 0.243 367 H ARG 49 H ARG 49 2.297 -7.137 -4.897 368 HA ARG 49 HA ARG 49 5.209 -6.922 -4.561 369 HB2 ARG 49 2HB ARG 49 4.757 -8.054 -6.586 370 HB3 ARG 49 3HB ARG 49 3.445 -6.963 -6.999 371 HG2 ARG 49 2HG ARG 49 4.945 -5.213 -7.540 372 HG3 ARG 49 3HG ARG 49 6.313 -6.085 -6.842 373 HD2 ARG 49 2HD ARG 49 4.744 -7.253 -9.107 374 HD3 ARG 49 3HD ARG 49 6.011 -6.063 -9.410 375 HE ARG 49 HE ARG 49 7.535 -7.643 -8.219 376 HH11 ARG 49 1HH1 ARG 49 4.558 -8.852 -9.600 377 HH12 ARG 49 2HH1 ARG 49 5.213 -10.411 -9.974 378 HH21 ARG 49 1HH2 ARG 49 8.400 -9.700 -8.674 379 HH22 ARG 49 2HH2 ARG 49 7.405 -10.896 -9.442 380 H TYR 50 H TYR 50 6.210 -4.929 -4.817 381 HA TYR 50 HA TYR 50 4.375 -2.642 -4.499 382 HB2 TYR 50 2HB TYR 50 7.146 -2.790 -3.324 383 HB3 TYR 50 3HB TYR 50 5.807 -1.744 -2.853 384 HD1 TYR 50 HD2 TYR 50 3.955 -2.624 -1.507 385 HD2 TYR 50 HD1 TYR 50 7.299 -5.052 -2.513 386 HE1 TYR 50 HE2 TYR 50 3.275 -4.258 0.194 387 HE2 TYR 50 HE1 TYR 50 6.621 -6.696 -0.820 388 HH TYR 50 HH TYR 50 3.575 -6.665 0.645 389 H PHE 51 H PHE 51 5.090 -0.610 -5.327 390 HA PHE 51 HA PHE 51 7.605 -0.493 -6.740 391 HB2 PHE 51 2HB PHE 51 5.926 -1.421 -8.394 392 HB3 PHE 51 3HB PHE 51 5.071 0.116 -8.270 393 HD1 PHE 51 HD2 PHE 51 8.294 -1.428 -9.214 394 HD2 PHE 51 HD1 PHE 51 5.774 1.988 -9.503 395 HE1 PHE 51 HE2 PHE 51 9.784 -0.481 -10.928 396 HE2 PHE 51 HE1 PHE 51 7.257 2.942 -11.216 397 HZ PHE 51 HZ PHE 51 9.263 1.709 -11.931 398 H GLN 52 H GLN 52 8.477 1.416 -6.332 399 HA GLN 52 HA GLN 52 6.690 3.691 -5.794 400 HB2 GLN 52 2HB GLN 52 9.346 3.119 -4.455 401 HB3 GLN 52 3HB GLN 52 8.323 4.517 -4.158 402 HG2 GLN 52 2HG GLN 52 6.568 3.060 -3.289 403 HG3 GLN 52 3HG GLN 52 7.584 1.653 -3.595 404 HE21 GLN 52 1HE2 GLN 52 10.013 3.100 -2.784 405 HE22 GLN 52 2HE2 GLN 52 9.952 3.178 -1.054 406 HA PRO 53 HA PRO 53 9.300 4.947 -9.267 407 HB2 PRO 53 2HB PRO 53 7.437 6.483 -10.487 408 HB3 PRO 53 3HB PRO 53 7.501 4.727 -10.658 409 HG2 PRO 53 2HG PRO 53 5.649 6.405 -9.063 410 HG3 PRO 53 3HG PRO 53 5.370 4.835 -9.829 411 HD2 PRO 53 2HD PRO 53 5.887 5.288 -7.113 412 HD3 PRO 53 3HD PRO 53 5.942 3.723 -7.944 413 H ASP 54 H ASP 54 6.984 7.524 -8.484 414 HA ASP 54 HA ASP 54 9.268 9.330 -8.136 415 HB2 ASP 54 2HB ASP 54 6.455 9.741 -9.072 416 HB3 ASP 54 3HB ASP 54 7.326 11.090 -8.346 417 H GLY 55 H GLY 55 9.711 10.206 -6.266 418 HA2 GLY 55 2HA GLY 55 9.171 11.113 -4.130 419 HA3 GLY 55 3HA GLY 55 7.709 10.131 -4.121 420 H LYS 56 H LYS 56 10.291 10.425 -2.402 421 HA LYS 56 HA LYS 56 11.168 7.642 -2.426 422 HB2 LYS 56 2HB LYS 56 12.116 10.056 -0.884 423 HB3 LYS 56 3HB LYS 56 12.726 8.433 -0.598 424 HG2 LYS 56 2HG LYS 56 13.505 8.346 -2.932 425 HG3 LYS 56 3HG LYS 56 12.946 10.007 -3.155 426 HD2 LYS 56 2HD LYS 56 14.469 10.790 -1.456 427 HD3 LYS 56 3HD LYS 56 14.965 9.137 -1.095 428 HE2 LYS 56 2HE LYS 56 15.857 8.920 -3.368 429 HE3 LYS 56 3HE LYS 56 15.379 10.585 -3.704 430 HZ1 LYS 56 3HZ LYS 56 16.851 11.299 -1.894 431 HZ2 LYS 56 1HZ LYS 56 17.695 10.509 -3.132 432 HZ3 LYS 56 2HZ LYS 56 17.361 9.697 -1.683 433 H GLY 57 H GLY 57 10.584 6.183 -0.978 434 HA2 GLY 57 2HA GLY 57 9.435 6.969 1.561 435 HA3 GLY 57 3HA GLY 57 8.322 6.179 0.451 436 H SER 58 H SER 58 9.268 5.279 3.025 437 HA SER 58 HA SER 58 10.340 2.700 2.109 438 HB2 SER 58 2HB SER 58 10.673 3.987 4.834 439 HB3 SER 58 3HB SER 58 11.270 2.392 4.372 440 HG SER 58 HG SER 58 12.010 4.479 2.712 441 H LEU 59 H LEU 59 8.651 1.403 1.918 442 HA LEU 59 HA LEU 59 6.399 1.646 3.749 443 HB2 LEU 59 2HB LEU 59 6.056 1.420 1.285 444 HB3 LEU 59 3HB LEU 59 6.776 -0.176 1.367 445 HG LEU 59 HG LEU 59 4.934 -0.891 2.871 446 HD11 LEU 59 1HD1 LEU 59 3.788 1.817 2.208 447 HD12 LEU 59 2HD1 LEU 59 4.361 1.296 3.792 448 HD13 LEU 59 3HD1 LEU 59 2.953 0.521 3.066 449 HD21 LEU 59 3HD2 LEU 59 3.218 -0.985 1.129 450 HD22 LEU 59 1HD2 LEU 59 4.821 -1.317 0.471 451 HD23 LEU 59 2HD2 LEU 59 4.075 0.260 0.220 452 H LYS 60 H LYS 60 6.402 0.511 5.545 453 HA LYS 60 HA LYS 60 7.948 -1.994 5.614 454 HB2 LYS 60 2HB LYS 60 7.734 0.177 7.698 455 HB3 LYS 60 3HB LYS 60 8.386 -1.422 8.032 456 HG2 LYS 60 2HG LYS 60 10.200 -1.087 6.537 457 HG3 LYS 60 3HG LYS 60 9.484 0.397 5.903 458 HD2 LYS 60 2HD LYS 60 10.301 0.056 8.782 459 HD3 LYS 60 3HD LYS 60 11.381 0.700 7.546 460 HE2 LYS 60 2HE LYS 60 9.811 2.506 7.096 461 HE3 LYS 60 3HE LYS 60 8.693 1.850 8.288 462 HZ1 LYS 60 3HZ LYS 60 10.068 3.721 9.102 463 HZ2 LYS 60 1HZ LYS 60 11.448 2.756 8.925 464 HZ3 LYS 60 2HZ LYS 60 10.235 2.313 10.028 465 H MET 61 H MET 61 7.257 -3.554 7.146 466 HA MET 61 HA MET 61 4.372 -3.695 7.397 467 HB2 MET 61 2HB MET 61 6.587 -5.645 8.064 468 HB3 MET 61 3HB MET 61 4.879 -5.990 8.284 469 HG2 MET 61 2HG MET 61 5.925 -5.153 5.617 470 HG3 MET 61 3HG MET 61 6.075 -6.823 6.153 471 HE1 MET 61 3HE MET 61 4.568 -6.207 3.486 472 HE2 MET 61 1HE MET 61 3.119 -7.194 3.680 473 HE3 MET 61 2HE MET 61 4.684 -7.813 4.204 474 H GLU 62 H GLU 62 3.665 -4.783 9.602 475 HA GLU 62 HA GLU 62 3.897 -2.841 11.585 476 HB2 GLU 62 2HB GLU 62 2.993 -5.709 11.697 477 HB3 GLU 62 3HB GLU 62 2.938 -4.650 13.100 478 HG2 GLU 62 2HG GLU 62 1.528 -3.084 11.782 479 HG3 GLU 62 3HG GLU 62 1.469 -4.289 10.495 480 H ASP 63 H ASP 63 5.846 -5.671 10.977 481 HA ASP 63 HA ASP 63 7.532 -4.882 13.258 482 HB2 ASP 63 2HB ASP 63 6.558 -7.154 13.496 483 HB3 ASP 63 3HB ASP 63 7.348 -7.627 11.997 484 H GLY 64 H GLY 64 7.920 -3.380 11.156 485 HA2 GLY 64 2HA GLY 64 9.725 -2.552 9.977 486 HA3 GLY 64 3HA GLY 64 10.665 -3.923 10.551 487 H THR 65 H THR 65 11.619 -4.535 8.661 488 HA THR 65 HA THR 65 11.812 -5.750 6.741 489 HB THR 65 HB THR 65 8.804 -6.088 6.809 490 HG1 THR 65 HG1 THR 65 10.314 -6.866 8.657 491 HG21 THR 65 3HG2 THR 65 9.242 -8.085 5.460 492 HG22 THR 65 1HG2 THR 65 10.966 -7.718 5.465 493 HG23 THR 65 2HG2 THR 65 9.837 -6.633 4.652 494 H VAL 66 H VAL 66 12.478 -4.355 5.234 495 HA VAL 66 HA VAL 66 10.787 -2.237 4.280 496 HB VAL 66 HB VAL 66 13.505 -3.127 3.305 497 HG11 VAL 66 1HG1 VAL 66 12.300 -1.920 1.567 498 HG12 VAL 66 2HG1 VAL 66 13.614 -0.934 2.210 499 HG13 VAL 66 3HG1 VAL 66 11.950 -0.614 2.698 500 HG21 VAL 66 3HG2 VAL 66 12.678 -0.885 5.147 501 HG22 VAL 66 1HG2 VAL 66 14.316 -1.169 4.556 502 HG23 VAL 66 2HG2 VAL 66 13.540 -2.354 5.608 503 H LEU 67 H LEU 67 9.277 -2.482 2.853 504 HA LEU 67 HA LEU 67 9.214 -4.756 1.066 505 HB2 LEU 67 2HB LEU 67 7.301 -2.428 1.295 506 HB3 LEU 67 3HB LEU 67 6.994 -3.963 0.502 507 HG LEU 67 HG LEU 67 7.442 -3.616 3.476 508 HD11 LEU 67 1HD1 LEU 67 4.902 -4.124 1.937 509 HD12 LEU 67 2HD1 LEU 67 5.335 -2.632 2.768 510 HD13 LEU 67 3HD1 LEU 67 5.062 -4.109 3.692 511 HD21 LEU 67 3HD2 LEU 67 6.605 -6.032 1.879 512 HD22 LEU 67 1HD2 LEU 67 6.733 -5.938 3.635 513 HD23 LEU 67 2HD2 LEU 67 8.179 -5.787 2.636 514 H LYS 68 H LYS 68 10.277 -4.686 -0.811 515 HA LYS 68 HA LYS 68 11.174 -2.083 -1.797 516 HB2 LYS 68 2HB LYS 68 12.142 -4.857 -2.498 517 HB3 LYS 68 3HB LYS 68 12.879 -3.347 -3.008 518 HG2 LYS 68 2HG LYS 68 13.462 -2.816 -0.728 519 HG3 LYS 68 3HG LYS 68 12.637 -4.265 -0.155 520 HD2 LYS 68 2HD LYS 68 14.196 -5.645 -1.475 521 HD3 LYS 68 3HD LYS 68 15.042 -4.175 -1.970 522 HE2 LYS 68 2HE LYS 68 15.592 -3.692 0.349 523 HE3 LYS 68 3HE LYS 68 14.706 -5.125 0.872 524 HZ1 LYS 68 3HZ LYS 68 16.269 -6.489 -0.393 525 HZ2 LYS 68 1HZ LYS 68 17.063 -5.564 0.786 526 HZ3 LYS 68 2HZ LYS 68 17.134 -5.101 -0.846 527 HA PRO 69 HA PRO 69 8.706 -2.137 -5.510 528 HB2 PRO 69 2HB PRO 69 11.167 -1.082 -6.796 529 HB3 PRO 69 3HB PRO 69 9.535 -0.408 -6.772 530 HG2 PRO 69 2HG PRO 69 11.488 0.662 -5.298 531 HG3 PRO 69 3HG PRO 69 9.822 0.571 -4.698 532 HD2 PRO 69 2HD PRO 69 12.191 -1.108 -3.989 533 HD3 PRO 69 3HD PRO 69 10.862 -0.533 -2.959 534 H ASN 70 H ASN 70 8.420 -3.523 -7.167 535 HA ASN 70 HA ASN 70 8.762 -5.168 -8.704 536 HB2 ASN 70 2HB ASN 70 10.878 -4.081 -9.356 537 HB3 ASN 70 3HB ASN 70 11.712 -4.926 -8.058 538 HD21 ASN 70 1HD2 ASN 70 13.108 -6.007 -9.396 539 HD22 ASN 70 2HD2 ASN 70 12.603 -7.273 -10.466 540 H ASP 71 H ASP 71 10.133 -5.364 -5.515 541 HA ASP 71 HA ASP 71 10.340 -8.232 -5.516 542 HB2 ASP 71 2HB ASP 71 10.804 -6.063 -3.547 543 HB3 ASP 71 3HB ASP 71 10.355 -7.634 -2.888 544 H ARG 72 H ARG 72 9.124 -9.552 -3.922 545 HA ARG 72 HA ARG 72 6.372 -8.620 -3.563 546 HB2 ARG 72 2HB ARG 72 5.604 -10.893 -4.439 547 HB3 ARG 72 3HB ARG 72 6.124 -9.710 -5.629 548 HG2 ARG 72 2HG ARG 72 8.176 -10.827 -5.980 549 HG3 ARG 72 3HG ARG 72 7.940 -11.856 -4.566 550 HD2 ARG 72 2HD ARG 72 6.192 -13.054 -5.616 551 HD3 ARG 72 3HD ARG 72 6.069 -11.877 -6.921 552 HE ARG 72 HE ARG 72 8.061 -12.745 -7.860 553 HH11 ARG 72 1HH1 ARG 72 7.077 -14.517 -4.993 554 HH12 ARG 72 2HH1 ARG 72 7.918 -15.962 -5.462 555 HH21 ARG 72 1HH2 ARG 72 9.158 -14.622 -8.457 556 HH22 ARG 72 2HH2 ARG 72 9.097 -16.034 -7.438 557 H TYR 73 H TYR 73 5.606 -9.122 -1.658 558 HA TYR 73 HA TYR 73 6.881 -11.310 -0.156 559 HB2 TYR 73 2HB TYR 73 5.576 -8.767 0.836 560 HB3 TYR 73 3HB TYR 73 6.023 -10.102 1.892 561 HD1 TYR 73 HD1 TYR 73 7.377 -7.532 -0.405 562 HD2 TYR 73 HD2 TYR 73 8.266 -10.370 2.634 563 HE1 TYR 73 HE1 TYR 73 9.634 -6.583 -0.192 564 HE2 TYR 73 HE2 TYR 73 10.528 -9.432 2.852 565 HH TYR 73 HH TYR 73 11.418 -6.463 1.608 566 H LEU 74 H LEU 74 5.463 -12.596 1.194 567 HA LEU 74 HA LEU 74 2.970 -13.058 -0.256 568 HB2 LEU 74 2HB LEU 74 4.719 -14.851 0.017 569 HB3 LEU 74 3HB LEU 74 4.345 -14.858 1.729 570 HG LEU 74 HG LEU 74 1.996 -15.482 1.157 571 HD11 LEU 74 1HD1 LEU 74 3.149 -15.809 -1.610 572 HD12 LEU 74 2HD1 LEU 74 1.938 -14.623 -1.120 573 HD13 LEU 74 3HD1 LEU 74 1.551 -16.345 -1.088 574 HD21 LEU 74 3HD2 LEU 74 2.528 -17.813 0.643 575 HD22 LEU 74 1HD2 LEU 74 3.632 -17.151 1.849 576 HD23 LEU 74 2HD2 LEU 74 4.161 -17.339 0.179 577 H LEU 75 H LEU 75 1.036 -12.725 0.617 578 HA LEU 75 HA LEU 75 0.854 -12.367 3.540 579 HB2 LEU 75 2HB LEU 75 -0.742 -11.023 1.357 580 HB3 LEU 75 3HB LEU 75 -1.105 -10.897 3.066 581 HG LEU 75 HG LEU 75 1.425 -9.916 1.742 582 HD11 LEU 75 1HD1 LEU 75 0.549 -7.689 2.215 583 HD12 LEU 75 2HD1 LEU 75 -0.938 -8.403 2.839 584 HD13 LEU 75 3HD1 LEU 75 -0.522 -8.582 1.135 585 HD21 LEU 75 3HD2 LEU 75 0.451 -9.624 4.584 586 HD22 LEU 75 1HD2 LEU 75 1.904 -8.886 3.903 587 HD23 LEU 75 2HD2 LEU 75 1.790 -10.641 4.050 588 H ASN 76 H ASN 76 -0.262 -13.916 4.501 589 HA ASN 76 HA ASN 76 -1.832 -15.783 2.944 590 HB2 ASN 76 2HB ASN 76 -0.355 -16.457 4.875 591 HB3 ASN 76 3HB ASN 76 -1.499 -15.665 5.953 592 HD21 ASN 76 1HD2 ASN 76 -0.903 -18.392 3.907 593 HD22 ASN 76 2HD2 ASN 76 -2.280 -19.321 4.395 594 H GLU 77 H GLU 77 -2.368 -12.955 4.779 595 HA GLU 77 HA GLU 77 -5.274 -13.429 4.764 596 HB2 GLU 77 2HB GLU 77 -3.681 -11.694 6.662 597 HB3 GLU 77 3HB GLU 77 -5.428 -11.905 6.683 598 HG2 GLU 77 2HG GLU 77 -5.093 -14.308 7.141 599 HG3 GLU 77 3HG GLU 77 -3.354 -14.019 7.221 600 H TRP 78 H TRP 78 -6.612 -11.567 4.344 601 HA TRP 78 HA TRP 78 -5.281 -9.709 2.505 602 HB2 TRP 78 2HB TRP 78 -7.676 -11.187 2.324 603 HB3 TRP 78 3HB TRP 78 -8.147 -9.493 2.446 604 HD1 TRP 78 HD1 TRP 78 -5.122 -8.932 0.816 605 HE1 TRP 78 HE1 TRP 78 -5.291 -9.000 -1.750 606 HE3 TRP 78 HE3 TRP 78 -9.590 -11.374 0.355 607 HZ2 TRP 78 HZ2 TRP 78 -7.077 -9.955 -3.707 608 HZ3 TRP 78 HZ3 TRP 78 -10.460 -11.827 -1.901 609 HH2 TRP 78 HH2 TRP 78 -9.226 -11.131 -3.891 610 H LYS 79 H LYS 79 -5.618 -9.591 5.562 611 HA LYS 79 HA LYS 79 -6.367 -6.750 5.558 612 HB2 LYS 79 2HB LYS 79 -8.160 -7.883 6.714 613 HB3 LYS 79 3HB LYS 79 -7.013 -8.792 7.694 614 HG2 LYS 79 2HG LYS 79 -6.287 -6.748 8.782 615 HG3 LYS 79 3HG LYS 79 -7.365 -5.801 7.760 616 HD2 LYS 79 2HD LYS 79 -9.288 -7.021 8.732 617 HD3 LYS 79 3HD LYS 79 -8.169 -7.863 9.809 618 HE2 LYS 79 2HE LYS 79 -7.488 -5.747 10.793 619 HE3 LYS 79 3HE LYS 79 -8.532 -4.869 9.681 620 HZ1 LYS 79 3HZ LYS 79 -10.430 -6.102 10.686 621 HZ2 LYS 79 1HZ LYS 79 -9.643 -5.038 11.753 622 HZ3 LYS 79 2HZ LYS 79 -9.361 -6.706 11.855 623 H PHE 80 H PHE 80 -4.782 -5.469 6.223 624 HA PHE 80 HA PHE 80 -3.051 -6.083 8.385 625 HB2 PHE 80 2HB PHE 80 -2.168 -7.469 6.338 626 HB3 PHE 80 3HB PHE 80 -1.570 -5.916 5.769 627 HD1 PHE 80 HD2 PHE 80 -1.364 -8.378 8.510 628 HD2 PHE 80 HD1 PHE 80 0.390 -4.957 6.687 629 HE1 PHE 80 HE2 PHE 80 0.635 -8.662 9.917 630 HE2 PHE 80 HE1 PHE 80 2.393 -5.234 8.089 631 HZ PHE 80 HZ PHE 80 2.518 -7.085 9.706 632 H ARG 81 H ARG 81 -1.381 -4.315 8.625 633 HA ARG 81 HA ARG 81 -2.256 -1.877 7.240 634 HB2 ARG 81 2HB ARG 81 -1.697 -0.624 9.324 635 HB3 ARG 81 3HB ARG 81 -3.064 -1.709 9.479 636 HG2 ARG 81 2HG ARG 81 -1.609 -3.355 10.581 637 HG3 ARG 81 3HG ARG 81 -0.278 -2.199 10.487 638 HD2 ARG 81 2HD ARG 81 -1.435 -0.652 11.902 639 HD3 ARG 81 3HD ARG 81 -2.902 -1.626 11.854 640 HE ARG 81 HE ARG 81 -0.893 -3.249 12.875 641 HH11 ARG 81 1HH1 ARG 81 -2.479 -0.261 13.807 642 HH12 ARG 81 2HH1 ARG 81 -2.333 -0.582 15.511 643 HH21 ARG 81 1HH2 ARG 81 -0.676 -3.639 15.091 644 HH22 ARG 81 2HH2 ARG 81 -1.290 -2.482 16.237 645 H LEU 82 H LEU 82 -0.720 -0.699 6.303 646 HA LEU 82 HA LEU 82 2.054 -1.627 6.667 647 HB2 LEU 82 2HB LEU 82 0.775 -0.304 4.267 648 HB3 LEU 82 3HB LEU 82 2.445 -0.827 4.373 649 HG LEU 82 HG LEU 82 0.033 -2.640 4.459 650 HD11 LEU 82 1HD1 LEU 82 0.799 -3.394 2.267 651 HD12 LEU 82 2HD1 LEU 82 2.075 -2.176 2.294 652 HD13 LEU 82 3HD1 LEU 82 0.383 -1.681 2.253 653 HD21 LEU 82 3HD2 LEU 82 2.974 -3.303 4.386 654 HD22 LEU 82 1HD2 LEU 82 1.646 -4.460 4.321 655 HD23 LEU 82 2HD2 LEU 82 1.909 -3.500 5.776 656 H TYR 83 H TYR 83 3.650 -0.162 7.040 657 HA TYR 83 HA TYR 83 2.721 2.539 7.720 658 HB2 TYR 83 2HB TYR 83 5.180 1.016 8.608 659 HB3 TYR 83 3HB TYR 83 4.797 2.666 9.089 660 HD1 TYR 83 HD1 TYR 83 3.833 -0.868 9.439 661 HD2 TYR 83 HD2 TYR 83 3.110 3.117 10.745 662 HE1 TYR 83 HE1 TYR 83 2.508 -1.731 11.324 663 HE2 TYR 83 HE2 TYR 83 1.786 2.264 12.632 664 HH TYR 83 HH TYR 83 0.543 0.292 13.266 665 H TYR 84 H TYR 84 2.994 3.906 6.085 666 HA TYR 84 HA TYR 84 5.355 3.620 4.380 667 HB2 TYR 84 2HB TYR 84 3.220 3.780 3.213 668 HB3 TYR 84 3HB TYR 84 2.863 5.299 4.029 669 HD1 TYR 84 HD2 TYR 84 5.412 3.745 1.788 670 HD2 TYR 84 HD1 TYR 84 3.394 7.298 2.972 671 HE1 TYR 84 HE2 TYR 84 6.517 4.974 -0.034 672 HE2 TYR 84 HE1 TYR 84 4.497 8.538 1.160 673 HH TYR 84 HH TYR 84 6.543 8.350 -0.223 674 H THR 85 H THR 85 7.061 4.619 5.206 675 HA THR 85 HA THR 85 6.725 7.297 6.348 676 HB THR 85 HB THR 85 9.190 5.540 6.324 677 HG1 THR 85 HG1 THR 85 7.452 6.083 8.517 678 HG21 THR 85 3HG2 THR 85 9.688 7.928 6.537 679 HG22 THR 85 1HG2 THR 85 10.019 7.071 8.043 680 HG23 THR 85 2HG2 THR 85 8.558 8.047 7.886 681 H SER 86 H SER 86 7.037 8.981 5.017 682 HA SER 86 HA SER 86 8.211 8.678 2.445 683 HB2 SER 86 2HB SER 86 8.089 11.266 2.522 684 HB3 SER 86 3HB SER 86 6.581 10.352 2.564 685 HG SER 86 HG SER 86 6.756 12.069 4.148 686 H GLN 87 H GLN 87 10.195 9.359 1.679 687 HA GLN 87 HA GLN 87 12.182 9.937 3.774 688 HB2 GLN 87 2HB GLN 87 12.597 8.501 1.148 689 HB3 GLN 87 3HB GLN 87 13.851 8.853 2.327 690 HG2 GLN 87 2HG GLN 87 11.459 7.087 2.780 691 HG3 GLN 87 3HG GLN 87 13.102 6.538 2.457 692 HE21 GLN 87 1HE2 GLN 87 14.320 8.621 4.098 693 HE22 GLN 87 2HE2 GLN 87 14.025 8.169 5.742 694 H SER 88 H SER 88 10.601 11.186 1.091 695 HA SER 88 HA SER 88 12.682 13.246 0.806 696 HB2 SER 88 2HB SER 88 11.762 13.591 -1.529 697 HB3 SER 88 3HB SER 88 12.627 12.075 -1.276 698 HG SER 88 HG SER 88 9.804 12.283 -1.034 699 H ASP 89 H ASP 89 11.999 15.381 0.704 700 HA ASP 89 HA ASP 89 9.343 15.810 1.872 701 HB2 ASP 89 2HB ASP 89 11.508 16.677 2.931 702 HB3 ASP 89 3HB ASP 89 11.571 17.834 1.608 703 H LYS 90 H LYS 90 9.782 15.233 -0.940 704 HA LYS 90 HA LYS 90 9.331 17.770 -2.299 705 HB2 LYS 90 2HB LYS 90 9.551 15.013 -3.516 706 HB3 LYS 90 3HB LYS 90 9.658 16.555 -4.354 707 HG2 LYS 90 2HG LYS 90 11.711 17.049 -3.020 708 HG3 LYS 90 3HG LYS 90 11.634 15.398 -2.403 709 HD2 LYS 90 2HD LYS 90 13.076 15.125 -4.166 710 HD3 LYS 90 3HD LYS 90 11.534 14.781 -4.949 711 HE2 LYS 90 2HE LYS 90 12.969 17.436 -4.986 712 HE3 LYS 90 3HE LYS 90 12.963 16.262 -6.297 713 HZ1 LYS 90 3HZ LYS 90 10.523 16.530 -6.406 714 HZ2 LYS 90 1HZ LYS 90 11.372 17.955 -6.763 715 HZ3 LYS 90 2HZ LYS 90 10.630 17.772 -5.253 716 H GLU 91 H GLU 91 7.554 17.965 -3.821 717 HA GLU 91 HA GLU 91 5.119 17.074 -2.540 718 HB2 GLU 91 2HB GLU 91 5.561 18.936 -4.879 719 HB3 GLU 91 3HB GLU 91 4.012 18.642 -4.096 720 HG2 GLU 91 2HG GLU 91 4.888 19.552 -2.010 721 HG3 GLU 91 3HG GLU 91 6.446 19.833 -2.786 722 H ALA 92 H ALA 92 3.377 16.088 -3.612 723 HA ALA 92 HA ALA 92 2.365 14.508 -4.867 724 HB1 ALA 92 3HB ALA 92 2.784 14.453 -7.261 725 HB2 ALA 92 1HB ALA 92 4.252 15.407 -7.036 726 HB3 ALA 92 2HB ALA 92 2.676 16.111 -6.671 727 H GLN 93 H GLN 93 2.961 12.700 -3.723 728 HA GLN 93 HA GLN 93 5.177 11.144 -4.893 729 HB2 GLN 93 2HB GLN 93 4.243 11.209 -2.017 730 HB3 GLN 93 3HB GLN 93 5.389 10.039 -2.655 731 HG2 GLN 93 2HG GLN 93 6.927 11.837 -3.227 732 HG3 GLN 93 3HG GLN 93 5.779 13.022 -2.610 733 HE21 GLN 93 1HE2 GLN 93 4.987 11.338 -0.368 734 HE22 GLN 93 2HE2 GLN 93 6.287 11.417 0.760 735 H THR 94 H THR 94 4.694 9.145 -5.616 736 HA THR 94 HA THR 94 1.943 8.183 -5.155 737 HB THR 94 HB THR 94 3.349 7.928 -7.807 738 HG1 THR 94 HG1 THR 94 1.484 9.984 -7.094 739 HG21 THR 94 3HG2 THR 94 0.449 7.818 -6.970 740 HG22 THR 94 1HG2 THR 94 1.452 6.451 -7.458 741 HG23 THR 94 2HG2 THR 94 1.028 7.696 -8.632 742 H ILE 95 H ILE 95 1.842 6.101 -4.542 743 HA ILE 95 HA ILE 95 4.116 4.339 -5.201 744 HB ILE 95 HB ILE 95 3.647 3.090 -3.102 745 HG12 ILE 95 2HG1 ILE 95 1.922 5.483 -2.411 746 HG13 ILE 95 3HG1 ILE 95 1.315 3.872 -2.782 747 HG21 ILE 95 1HG2 ILE 95 4.394 5.990 -2.777 748 HG22 ILE 95 2HG2 ILE 95 5.477 4.666 -3.206 749 HG23 ILE 95 3HG2 ILE 95 4.731 4.711 -1.607 750 HD11 ILE 95 3HD1 ILE 95 3.088 4.590 -0.454 751 HD12 ILE 95 1HD1 ILE 95 2.449 2.987 -0.817 752 HD13 ILE 95 2HD1 ILE 95 1.351 4.296 -0.384 753 H ASP 96 H ASP 96 3.661 2.215 -5.731 754 HA ASP 96 HA ASP 96 0.844 1.689 -6.429 755 HB2 ASP 96 2HB ASP 96 3.412 0.865 -7.784 756 HB3 ASP 96 3HB ASP 96 1.867 0.111 -8.148 757 H LEU 97 H LEU 97 -0.112 -0.027 -5.561 758 HA LEU 97 HA LEU 97 1.577 -2.150 -4.399 759 HB2 LEU 97 2HB LEU 97 -1.199 -1.277 -3.581 760 HB3 LEU 97 3HB LEU 97 -0.344 -2.650 -2.909 761 HG LEU 97 HG LEU 97 0.478 0.244 -2.662 762 HD11 LEU 97 1HD1 LEU 97 -1.453 -0.328 -1.297 763 HD12 LEU 97 2HD1 LEU 97 -0.028 -0.065 -0.294 764 HD13 LEU 97 3HD1 LEU 97 -0.583 -1.705 -0.621 765 HD21 LEU 97 3HD2 LEU 97 1.752 -2.248 -1.539 766 HD22 LEU 97 1HD2 LEU 97 2.218 -0.591 -1.157 767 HD23 LEU 97 2HD2 LEU 97 2.423 -1.209 -2.796 768 H TYR 98 H TYR 98 1.508 -4.009 -5.483 769 HA TYR 98 HA TYR 98 -0.797 -4.496 -7.252 770 HB2 TYR 98 2HB TYR 98 2.002 -5.630 -7.461 771 HB3 TYR 98 3HB TYR 98 0.692 -5.866 -8.615 772 HD1 TYR 98 HD1 TYR 98 -0.261 -3.728 -9.733 773 HD2 TYR 98 HD2 TYR 98 3.502 -3.885 -7.759 774 HE1 TYR 98 HE1 TYR 98 0.458 -1.722 -10.959 775 HE2 TYR 98 HE2 TYR 98 4.231 -1.884 -8.984 776 HH TYR 98 HH TYR 98 2.135 0.141 -10.610 777 H PHE 99 H PHE 99 -2.190 -5.871 -6.361 778 HA PHE 99 HA PHE 99 -1.216 -8.056 -4.685 779 HB2 PHE 99 2HB PHE 99 -3.979 -7.005 -5.299 780 HB3 PHE 99 3HB PHE 99 -3.719 -8.515 -4.430 781 HD1 PHE 99 HD2 PHE 99 -3.407 -4.870 -4.286 782 HD2 PHE 99 HD1 PHE 99 -2.908 -8.530 -2.176 783 HE1 PHE 99 HE2 PHE 99 -3.207 -3.623 -2.174 784 HE2 PHE 99 HE1 PHE 99 -2.708 -7.292 -0.061 785 HZ PHE 99 HZ PHE 99 -2.856 -4.834 -0.059 786 H GLU 100 H GLU 100 -0.647 -9.874 -5.628 787 HA GLU 100 HA GLU 100 -2.200 -10.848 -7.947 788 HB2 GLU 100 2HB GLU 100 0.754 -11.329 -7.506 789 HB3 GLU 100 3HB GLU 100 -0.190 -11.716 -8.935 790 HG2 GLU 100 2HG GLU 100 -0.440 -9.374 -9.451 791 HG3 GLU 100 3HG GLU 100 0.393 -8.931 -7.963 792 H ASP 101 H ASP 101 -3.180 -12.791 -7.428 793 HA ASP 101 HA ASP 101 -1.572 -14.517 -5.662 794 HB2 ASP 101 2HB ASP 101 -3.288 -15.113 -4.237 795 HB3 ASP 101 3HB ASP 101 -3.607 -13.410 -4.506 796 H ASN 102 H ASN 102 -4.575 -14.855 -7.604 797 HA ASN 102 HA ASN 102 -3.414 -17.350 -8.603 798 HB2 ASN 102 2HB ASN 102 -5.685 -18.000 -9.258 799 HB3 ASN 102 3HB ASN 102 -5.608 -17.613 -7.545 800 HD21 ASN 102 1HD2 ASN 102 -6.645 -15.788 -6.773 801 HD22 ASN 102 2HD2 ASN 102 -7.835 -14.948 -7.710 802 H TRP 103 H TRP 103 -3.753 -17.852 -10.856 803 HA TRP 103 HA TRP 103 -2.604 -15.806 -12.406 804 HB2 TRP 103 2HB TRP 103 -3.842 -18.381 -13.394 805 HB3 TRP 103 3HB TRP 103 -2.608 -17.416 -14.208 806 HD1 TRP 103 HD1 TRP 103 -2.926 -20.345 -12.035 807 HE1 TRP 103 HE1 TRP 103 -0.677 -20.958 -10.946 808 HE3 TRP 103 HE3 TRP 103 -0.349 -16.056 -13.074 809 HZ2 TRP 103 HZ2 TRP 103 1.855 -19.758 -10.564 810 HZ3 TRP 103 HZ3 TRP 103 1.978 -15.862 -12.300 811 HH2 TRP 103 HH2 TRP 103 3.056 -17.673 -11.071 812 H GLY 104 H GLY 104 -3.685 -14.047 -12.887 813 HA2 GLY 104 2HA GLY 104 -5.289 -13.209 -14.611 814 HA3 GLY 104 3HA GLY 104 -6.448 -14.330 -13.902 815 H ASN 105 H ASN 105 -5.248 -13.677 -11.176 816 HA ASN 105 HA ASN 105 -6.911 -11.295 -10.796 817 HB2 ASN 105 2HB ASN 105 -7.434 -13.344 -9.451 818 HB3 ASN 105 3HB ASN 105 -5.879 -13.145 -8.646 819 HD21 ASN 105 1HD2 ASN 105 -6.678 -12.737 -6.625 820 HD22 ASN 105 2HD2 ASN 105 -7.576 -11.302 -6.241 821 H LEU 106 H LEU 106 -5.597 -9.695 -11.315 822 HA LEU 106 HA LEU 106 -3.468 -9.089 -9.387 823 HB2 LEU 106 2HB LEU 106 -2.279 -9.441 -11.389 824 HB3 LEU 106 3HB LEU 106 -3.520 -8.682 -12.366 825 HG LEU 106 HG LEU 106 -2.889 -6.476 -11.443 826 HD11 LEU 106 1HD1 LEU 106 -0.661 -7.985 -10.087 827 HD12 LEU 106 2HD1 LEU 106 -2.023 -7.208 -9.282 828 HD13 LEU 106 3HD1 LEU 106 -0.839 -6.231 -10.151 829 HD21 LEU 106 3HD2 LEU 106 -1.895 -7.216 -13.527 830 HD22 LEU 106 1HD2 LEU 106 -0.612 -8.042 -12.643 831 HD23 LEU 106 2HD2 LEU 106 -0.730 -6.283 -12.586 832 H GLN 107 H GLN 107 -4.083 -7.440 -8.164 833 HA GLN 107 HA GLN 107 -5.821 -5.387 -9.374 834 HB2 GLN 107 2HB GLN 107 -7.005 -6.721 -7.655 835 HB3 GLN 107 3HB GLN 107 -5.781 -6.267 -6.476 836 HG2 GLN 107 2HG GLN 107 -7.769 -4.917 -6.204 837 HG3 GLN 107 3HG GLN 107 -6.413 -3.918 -6.723 838 HE21 GLN 107 1HE2 GLN 107 -7.679 -2.311 -7.608 839 HE22 GLN 107 2HE2 GLN 107 -8.615 -2.535 -9.049 840 H GLN 108 H GLN 108 -4.759 -3.581 -9.665 841 HA GLN 108 HA GLN 108 -2.455 -2.989 -7.980 842 HB2 GLN 108 2HB GLN 108 -1.923 -1.262 -9.667 843 HB3 GLN 108 3HB GLN 108 -2.038 -2.872 -10.359 844 HG2 GLN 108 2HG GLN 108 -4.258 -2.365 -11.212 845 HG3 GLN 108 3HG GLN 108 -4.182 -0.763 -10.480 846 HE21 GLN 108 1HE2 GLN 108 -4.514 -1.510 -13.274 847 HE22 GLN 108 2HE2 GLN 108 -3.208 -0.764 -14.130 848 H LEU 109 H LEU 109 -2.598 -1.629 -6.373 849 HA LEU 109 HA LEU 109 -4.813 0.306 -6.338 850 HB2 LEU 109 2HB LEU 109 -3.141 -0.770 -4.060 851 HB3 LEU 109 3HB LEU 109 -4.401 0.439 -3.898 852 HG LEU 109 HG LEU 109 -4.794 -2.430 -4.757 853 HD11 LEU 109 1HD1 LEU 109 -4.317 -2.208 -2.388 854 HD12 LEU 109 2HD1 LEU 109 -6.015 -2.618 -2.637 855 HD13 LEU 109 3HD1 LEU 109 -5.556 -0.963 -2.237 856 HD21 LEU 109 3HD2 LEU 109 -6.357 -0.939 -5.894 857 HD22 LEU 109 1HD2 LEU 109 -6.814 -0.226 -4.346 858 HD23 LEU 109 2HD2 LEU 109 -7.183 -1.919 -4.683 859 H THR 110 H THR 110 -4.195 2.216 -7.049 860 HA THR 110 HA THR 110 -1.431 3.073 -6.757 861 HB THR 110 HB THR 110 -2.344 5.072 -8.129 862 HG1 THR 110 HG1 THR 110 -4.348 4.922 -8.849 863 HG21 THR 110 3HG2 THR 110 -2.295 2.292 -9.312 864 HG22 THR 110 1HG2 THR 110 -0.901 3.346 -9.073 865 HG23 THR 110 2HG2 THR 110 -2.159 3.794 -10.225 866 H TYR 111 H TYR 111 -0.883 4.118 -4.965 867 HA TYR 111 HA TYR 111 -2.907 5.811 -3.664 868 HB2 TYR 111 2HB TYR 111 -0.471 4.413 -2.560 869 HB3 TYR 111 3HB TYR 111 -1.300 5.692 -1.678 870 HD1 TYR 111 HD2 TYR 111 -1.516 2.233 -2.870 871 HD2 TYR 111 HD1 TYR 111 -3.502 5.322 -0.724 872 HE1 TYR 111 HE2 TYR 111 -3.091 0.579 -1.957 873 HE2 TYR 111 HE1 TYR 111 -5.085 3.677 0.195 874 HH TYR 111 HH TYR 111 -5.958 1.458 -0.324 875 H ASP 112 H ASP 112 -2.746 7.796 -4.373 876 HA ASP 112 HA ASP 112 -0.069 8.946 -4.797 877 HB2 ASP 112 2HB ASP 112 -1.384 8.852 -6.843 878 HB3 ASP 112 3HB ASP 112 -2.729 9.665 -6.050 879 H PHE 113 H PHE 113 0.533 10.233 -3.186 880 HA PHE 113 HA PHE 113 -1.559 11.691 -1.698 881 HB2 PHE 113 2HB PHE 113 1.251 11.026 -0.784 882 HB3 PHE 113 3HB PHE 113 -0.027 11.744 0.186 883 HD1 PHE 113 HD2 PHE 113 -2.057 10.365 0.730 884 HD2 PHE 113 HD1 PHE 113 1.463 8.702 -0.989 885 HE1 PHE 113 HE2 PHE 113 -2.770 8.121 1.448 886 HE2 PHE 113 HE1 PHE 113 0.759 6.457 -0.272 887 HZ PHE 113 HZ PHE 113 -1.361 6.163 0.948 888 H ASN 114 H ASN 114 -1.510 13.861 -1.636 889 HA ASN 114 HA ASN 114 -0.983 16.008 -2.175 890 HB2 ASN 114 2HB ASN 114 0.815 15.544 -0.534 891 HB3 ASN 114 3HB ASN 114 1.862 15.020 -1.843 892 HD21 ASN 114 1HD2 ASN 114 0.205 17.782 -0.439 893 HD22 ASN 114 2HD2 ASN 114 1.216 18.988 -1.159 894 H GLY 115 H GLY 115 -0.918 13.764 -4.293 895 HA2 GLY 115 2HA GLY 115 0.984 14.568 -6.261 896 HA3 GLY 115 3HA GLY 115 -0.342 13.440 -6.492 897 H LYS 116 H LYS 116 -2.219 15.597 -5.488 898 HA LYS 116 HA LYS 116 -2.541 16.855 -8.097 899 HB2 LYS 116 2HB LYS 116 -4.438 16.635 -5.757 900 HB3 LYS 116 3HB LYS 116 -4.813 17.447 -7.272 901 HG2 LYS 116 2HG LYS 116 -4.168 14.524 -6.940 902 HG3 LYS 116 3HG LYS 116 -5.767 15.216 -7.219 903 HD2 LYS 116 2HD LYS 116 -3.420 15.416 -9.109 904 HD3 LYS 116 3HD LYS 116 -4.775 14.298 -9.277 905 HE2 LYS 116 2HE LYS 116 -5.001 17.306 -9.251 906 HE3 LYS 116 3HE LYS 116 -4.987 16.309 -10.704 907 HZ1 LYS 116 3HZ LYS 116 -7.234 16.789 -10.183 908 HZ2 LYS 116 1HZ LYS 116 -7.043 16.331 -8.558 909 HZ3 LYS 116 2HZ LYS 116 -6.977 15.161 -9.784 910 H LEU 117 H LEU 117 -1.417 18.662 -8.265 911 HA LEU 117 HA LEU 117 -1.349 20.541 -6.016 912 HB2 LEU 117 2HB LEU 117 0.246 20.357 -8.566 913 HB3 LEU 117 3HB LEU 117 0.293 21.775 -7.538 914 HG LEU 117 HG LEU 117 1.039 20.213 -5.663 915 HD11 LEU 117 1HD1 LEU 117 1.547 18.377 -7.995 916 HD12 LEU 117 2HD1 LEU 117 0.398 18.105 -6.687 917 HD13 LEU 117 3HD1 LEU 117 2.128 18.143 -6.346 918 HD21 LEU 117 3HD2 LEU 117 3.367 20.252 -6.413 919 HD22 LEU 117 1HD2 LEU 117 2.542 21.769 -6.765 920 HD23 LEU 117 2HD2 LEU 117 2.827 20.603 -8.057 921 H GLU 118 H GLU 118 -3.757 20.136 -7.482 922 HA GLU 118 HA GLU 118 -4.144 22.299 -9.312 923 HB2 GLU 118 2HB GLU 118 -6.063 20.435 -7.916 924 HB3 GLU 118 3HB GLU 118 -6.571 21.661 -9.071 925 HG2 GLU 118 2HG GLU 118 -4.700 19.374 -9.640 926 HG3 GLU 118 3HG GLU 118 -6.397 19.466 -10.107 927 H HIS 119 H HIS 119 -4.056 24.322 -8.612 928 HA HIS 119 HA HIS 119 -5.908 25.113 -6.519 929 HB2 HIS 119 2HB HIS 119 -4.163 26.628 -5.497 930 HB3 HIS 119 3HB HIS 119 -3.949 24.914 -5.188 931 HD1 HIS 119 HD1 HIS 119 -1.781 23.877 -5.868 932 HD2 HIS 119 HD2 HIS 119 -2.237 27.734 -7.356 933 HE1 HIS 119 HE1 HIS 119 0.450 24.497 -6.843 934 HE2 HIS 119 HE2 HIS 119 0.211 26.912 -7.513 935 H HIS 120 H HIS 120 -7.075 26.735 -7.192 936 HA HIS 120 HA HIS 120 -7.820 28.564 -8.285 937 HB2 HIS 120 2HB HIS 120 -4.878 29.236 -8.373 938 HB3 HIS 120 3HB HIS 120 -6.138 30.324 -8.939 939 HD1 HIS 120 HD1 HIS 120 -7.124 31.847 -7.244 940 HD2 HIS 120 HD2 HIS 120 -5.138 28.636 -5.500 941 HE1 HIS 120 HE1 HIS 120 -7.138 32.302 -4.772 942 HE2 HIS 120 HE2 HIS 120 -6.124 30.246 -3.726 943 H HIS 121 H HIS 121 -4.877 28.590 -10.202 944 HA HIS 121 HA HIS 121 -4.490 28.419 -12.423 945 HB2 HIS 121 2HB HIS 121 -6.703 26.400 -12.164 946 HB3 HIS 121 3HB HIS 121 -5.978 26.768 -13.724 947 HD1 HIS 121 HD1 HIS 121 -5.657 24.528 -10.947 948 HD2 HIS 121 HD2 HIS 121 -3.024 26.314 -13.629 949 HE1 HIS 121 HE1 HIS 121 -3.554 23.138 -10.870 950 HE2 HIS 121 HE2 HIS 121 -2.067 24.113 -12.658 951 H HIS 122 H HIS 122 -5.387 28.844 -14.609 952 HA HIS 122 HA HIS 122 -7.745 30.607 -14.478 953 HB2 HIS 122 2HB HIS 122 -5.646 31.651 -15.313 954 HB3 HIS 122 3HB HIS 122 -5.581 30.453 -16.599 955 HD1 HIS 122 HD1 HIS 122 -7.395 33.548 -15.535 956 HD2 HIS 122 HD2 HIS 122 -7.331 30.891 -18.731 957 HE1 HIS 122 HE1 HIS 122 -8.722 34.651 -17.364 958 HE2 HIS 122 HE2 HIS 122 -8.492 33.118 -19.351 959 H HIS 123 H HIS 123 -6.311 27.798 -15.914 960 HA HIS 123 HA HIS 123 -8.939 27.045 -16.971 961 HB2 HIS 123 2HB HIS 123 -7.672 27.776 -18.910 962 HB3 HIS 123 3HB HIS 123 -6.293 26.796 -18.423 963 HD1 HIS 123 HD1 HIS 123 -6.081 24.855 -19.908 964 HD2 HIS 123 HD2 HIS 123 -10.066 25.805 -19.188 965 HE1 HIS 123 HE1 HIS 123 -7.428 23.125 -21.145 966 HE2 HIS 123 HE2 HIS 123 -9.825 23.613 -20.543 967 H HIS 124 H HIS 124 -9.515 25.357 -15.771 968 HA HIS 124 HA HIS 124 -7.537 23.252 -15.264 969 HB2 HIS 124 2HB HIS 124 -8.440 22.988 -12.947 970 HB3 HIS 124 3HB HIS 124 -7.588 24.505 -13.199 971 HD1 HIS 124 HD1 HIS 124 -10.963 23.101 -12.440 972 HD2 HIS 124 HD2 HIS 124 -9.202 26.813 -13.093 973 HE1 HIS 124 HE1 HIS 124 -12.661 24.799 -11.692 974 HE2 HIS 124 HE2 HIS 124 -11.671 27.025 -12.346
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