NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641493 | 6gig | 34271 | 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 -14.317 7.289 -5.587 2 H2 MET 1 2H MET 1 -14.312 8.759 -4.753 3 H3 MET 1 3H MET 1 -14.985 8.670 -6.299 4 HA MET 1 HA MET 1 -16.668 8.755 -4.554 5 HB2 MET 1 2HB MET 1 -18.016 6.896 -5.388 6 HB3 MET 1 1HB MET 1 -17.155 7.671 -6.711 7 HG2 MET 1 2HG MET 1 -15.503 5.889 -6.696 8 HG3 MET 1 1HG MET 1 -16.334 5.117 -5.346 9 HE1 MET 1 1HE MET 1 -15.596 3.605 -8.074 10 HE2 MET 1 2HE MET 1 -17.079 2.686 -8.319 11 HE3 MET 1 3HE MET 1 -16.400 2.848 -6.699 12 H ALA 2 H ALA 2 -14.142 7.663 -3.270 13 HA ALA 2 HA ALA 2 -15.199 5.399 -1.778 14 HB1 ALA 2 1HB ALA 2 -12.949 5.172 -0.873 15 HB2 ALA 2 2HB ALA 2 -12.468 6.667 -1.678 16 HB3 ALA 2 3HB ALA 2 -12.914 5.254 -2.634 17 H THR 3 H THR 3 -15.013 8.727 -1.513 18 HA THR 3 HA THR 3 -14.684 8.890 1.333 19 HB THR 3 HB THR 3 -15.374 11.314 0.961 20 HG1 THR 3 HG1 THR 3 -16.443 11.305 -0.947 21 HG21 THR 3 1HG2 THR 3 -13.231 11.902 -0.094 22 HG22 THR 3 2HG2 THR 3 -13.019 10.220 -0.581 23 HG23 THR 3 3HG2 THR 3 -13.036 10.647 1.130 24 H LYS 4 H LYS 4 -16.388 7.415 1.910 25 HA LYS 4 HA LYS 4 -18.964 8.831 2.145 26 HB2 LYS 4 2HB LYS 4 -18.543 5.858 1.775 27 HB3 LYS 4 1HB LYS 4 -20.085 6.610 2.146 28 HG2 LYS 4 2HG LYS 4 -20.043 7.787 0.041 29 HG3 LYS 4 1HG LYS 4 -18.452 7.125 -0.327 30 HD2 LYS 4 2HD LYS 4 -20.127 5.867 -1.515 31 HD3 LYS 4 1HD LYS 4 -19.432 4.851 -0.254 32 HE2 LYS 4 2HE LYS 4 -21.839 4.565 -0.336 33 HE3 LYS 4 1HE LYS 4 -21.373 5.333 1.179 34 HZ1 LYS 4 1HZ LYS 4 -22.052 7.454 0.302 35 HZ2 LYS 4 2HZ LYS 4 -23.330 6.359 0.152 36 HZ3 LYS 4 3HZ LYS 4 -22.409 6.770 -1.201 37 H HIS 5 H HIS 5 -16.590 8.735 3.849 38 HA HIS 5 HA HIS 5 -15.950 8.460 6.003 39 HB2 HIS 5 2HB HIS 5 -18.127 9.566 6.458 40 HB3 HIS 5 1HB HIS 5 -18.900 7.988 6.511 41 HD1 HIS 5 HD1 HIS 5 -19.355 7.330 8.837 42 HD2 HIS 5 HD2 HIS 5 -15.809 9.472 8.520 43 HE1 HIS 5 HE1 HIS 5 -18.426 7.446 11.169 44 HE2 HIS 5 HE2 HIS 5 -16.369 8.888 10.975 45 H GLY 6 H GLY 6 -15.437 6.368 4.473 46 HA2 GLY 6 2HA GLY 6 -14.871 4.153 4.523 47 HA3 GLY 6 1HA GLY 6 -15.046 4.269 6.267 48 H LYS 7 H LYS 7 -17.492 4.610 3.717 49 HA LYS 7 HA LYS 7 -18.939 2.383 4.975 50 HB2 LYS 7 2HB LYS 7 -19.957 4.673 5.206 51 HB3 LYS 7 1HB LYS 7 -20.143 4.700 3.461 52 HG2 LYS 7 2HG LYS 7 -22.221 4.077 4.338 53 HG3 LYS 7 1HG LYS 7 -21.507 2.605 3.679 54 HD2 LYS 7 2HD LYS 7 -20.814 1.923 5.905 55 HD3 LYS 7 1HD LYS 7 -21.457 3.420 6.584 56 HE2 LYS 7 2HE LYS 7 -23.096 1.778 6.990 57 HE3 LYS 7 1HE LYS 7 -23.689 2.733 5.634 58 HZ1 LYS 7 1HZ LYS 7 -24.034 0.418 5.197 59 HZ2 LYS 7 2HZ LYS 7 -22.408 0.063 5.482 60 HZ3 LYS 7 3HZ LYS 7 -22.845 0.991 4.135 61 H ASN 8 H ASN 8 -18.511 0.674 3.730 62 HA ASN 8 HA ASN 8 -18.801 -0.807 2.048 63 HB2 ASN 8 2HB ASN 8 -20.404 1.419 0.791 64 HB3 ASN 8 1HB ASN 8 -20.269 -0.200 0.114 65 HD21 ASN 8 1HD2 ASN 8 -22.533 -1.657 2.316 66 HD22 ASN 8 2HD2 ASN 8 -21.331 -1.893 1.095 67 H SER 9 H SER 9 -18.386 2.315 0.358 68 HA SER 9 HA SER 9 -16.957 1.125 -1.783 69 HB2 SER 9 2HB SER 9 -17.154 4.041 -1.023 70 HB3 SER 9 1HB SER 9 -16.662 3.405 -2.593 71 HG SER 9 HG SER 9 -19.007 2.315 -1.935 72 H TRP 10 H TRP 10 -15.886 1.664 1.271 73 HA TRP 10 HA TRP 10 -13.323 2.767 0.731 74 HB2 TRP 10 2HB TRP 10 -12.695 1.911 2.958 75 HB3 TRP 10 1HB TRP 10 -14.127 2.871 3.005 76 HD1 TRP 10 HD1 TRP 10 -16.479 1.510 3.417 77 HE1 TRP 10 HE1 TRP 10 -16.830 -0.763 4.629 78 HE3 TRP 10 HE3 TRP 10 -11.773 -0.134 3.143 79 HZ2 TRP 10 HZ2 TRP 10 -15.174 -2.979 5.358 80 HZ3 TRP 10 HZ3 TRP 10 -11.175 -2.269 4.101 81 HH2 TRP 10 HH2 TRP 10 -12.831 -3.700 5.179 82 H LYS 11 H LYS 11 -14.603 -0.518 0.669 83 HA LYS 11 HA LYS 11 -12.154 -1.860 1.016 84 HB2 LYS 11 2HB LYS 11 -14.744 -2.556 -0.282 85 HB3 LYS 11 1HB LYS 11 -13.349 -3.581 -0.508 86 HG2 LYS 11 2HG LYS 11 -13.142 -3.851 1.915 87 HG3 LYS 11 1HG LYS 11 -14.561 -2.825 2.132 88 HD2 LYS 11 2HD LYS 11 -14.555 -5.409 0.581 89 HD3 LYS 11 1HD LYS 11 -15.028 -5.271 2.276 90 HE2 LYS 11 2HE LYS 11 -16.826 -3.766 1.685 91 HE3 LYS 11 1HE LYS 11 -16.321 -3.775 -0.003 92 HZ1 LYS 11 1HZ LYS 11 -17.340 -6.101 1.529 93 HZ2 LYS 11 2HZ LYS 11 -16.806 -6.153 -0.075 94 HZ3 LYS 11 3HZ LYS 11 -18.178 -5.251 0.331 95 H THR 12 H THR 12 -13.681 -0.476 -1.756 96 HA THR 12 HA THR 12 -11.915 -1.272 -3.778 97 HB THR 12 HB THR 12 -14.008 0.718 -3.300 98 HG1 THR 12 HG1 THR 12 -13.335 -1.117 -5.347 99 HG21 THR 12 1HG2 THR 12 -12.062 1.190 -5.561 100 HG22 THR 12 2HG2 THR 12 -12.299 2.236 -4.161 101 HG23 THR 12 3HG2 THR 12 -13.604 2.019 -5.328 102 H LEU 13 H LEU 13 -11.821 1.279 -1.401 103 HA LEU 13 HA LEU 13 -9.378 2.513 -2.324 104 HB2 LEU 13 2HB LEU 13 -10.347 4.120 -1.063 105 HB3 LEU 13 1HB LEU 13 -11.446 2.963 -0.337 106 HG LEU 13 HG LEU 13 -8.810 2.731 0.820 107 HD11 LEU 13 1HD1 LEU 13 -8.781 4.883 1.984 108 HD12 LEU 13 2HD1 LEU 13 -10.152 5.422 1.014 109 HD13 LEU 13 3HD1 LEU 13 -8.602 5.087 0.241 110 HD21 LEU 13 1HD2 LEU 13 -11.485 3.488 2.015 111 HD22 LEU 13 2HD2 LEU 13 -10.061 2.950 2.907 112 HD23 LEU 13 3HD2 LEU 13 -10.889 1.838 1.813 113 H TYR 14 H TYR 14 -10.318 -0.074 -0.295 114 HA TYR 14 HA TYR 14 -8.219 0.132 1.597 115 HB2 TYR 14 2HB TYR 14 -10.454 -0.784 2.088 116 HB3 TYR 14 1HB TYR 14 -10.088 -2.171 1.073 117 HD1 TYR 14 HD1 TYR 14 -8.562 -3.851 1.776 118 HD2 TYR 14 HD2 TYR 14 -9.354 -0.463 4.213 119 HE1 TYR 14 HE1 TYR 14 -7.404 -4.949 3.613 120 HE2 TYR 14 HE2 TYR 14 -8.182 -1.546 6.091 121 HH TYR 14 HH TYR 14 -6.217 -4.256 5.730 122 H LEU 15 H LEU 15 -8.829 -2.021 -1.140 123 HA LEU 15 HA LEU 15 -6.544 -3.623 -0.553 124 HB2 LEU 15 2HB LEU 15 -8.033 -3.477 -3.168 125 HB3 LEU 15 1HB LEU 15 -7.026 -4.780 -2.565 126 HG LEU 15 HG LEU 15 -9.570 -3.949 -1.212 127 HD11 LEU 15 1HD1 LEU 15 -10.106 -4.696 -3.461 128 HD12 LEU 15 2HD1 LEU 15 -10.597 -5.908 -2.278 129 HD13 LEU 15 3HD1 LEU 15 -9.130 -6.146 -3.230 130 HD21 LEU 15 1HD2 LEU 15 -7.887 -6.442 -1.020 131 HD22 LEU 15 2HD2 LEU 15 -9.380 -6.126 -0.137 132 HD23 LEU 15 3HD2 LEU 15 -7.949 -5.143 0.171 133 H LYS 16 H LYS 16 -7.147 -0.672 -2.035 134 HA LYS 16 HA LYS 16 -4.712 -0.445 -3.515 135 HB2 LYS 16 2HB LYS 16 -6.618 0.908 -4.154 136 HB3 LYS 16 1HB LYS 16 -6.809 1.495 -2.518 137 HG2 LYS 16 2HG LYS 16 -4.325 2.109 -4.052 138 HG3 LYS 16 1HG LYS 16 -5.801 3.044 -4.303 139 HD2 LYS 16 2HD LYS 16 -5.882 3.444 -1.846 140 HD3 LYS 16 1HD LYS 16 -4.315 2.645 -1.714 141 HE2 LYS 16 2HE LYS 16 -3.336 4.325 -3.210 142 HE3 LYS 16 1HE LYS 16 -4.899 5.123 -3.341 143 HZ1 LYS 16 1HZ LYS 16 -3.372 4.791 -0.816 144 HZ2 LYS 16 2HZ LYS 16 -4.826 5.632 -1.002 145 HZ3 LYS 16 3HZ LYS 16 -3.419 6.205 -1.740 146 H ILE 17 H ILE 17 -5.966 0.371 -0.342 147 HA ILE 17 HA ILE 17 -3.726 1.661 0.709 148 HB ILE 17 HB ILE 17 -6.160 0.359 1.804 149 HG12 ILE 17 2HG1 ILE 17 -4.920 3.090 2.169 150 HG13 ILE 17 1HG1 ILE 17 -6.197 2.683 1.026 151 HG21 ILE 17 1HG2 ILE 17 -5.523 0.646 4.097 152 HG22 ILE 17 2HG2 ILE 17 -3.938 1.259 3.617 153 HG23 ILE 17 3HG2 ILE 17 -4.368 -0.419 3.296 154 HD11 ILE 17 1HD1 ILE 17 -6.403 2.550 4.028 155 HD12 ILE 17 2HD1 ILE 17 -7.686 2.154 2.884 156 HD13 ILE 17 3HD1 ILE 17 -7.078 3.805 2.991 157 H SER 18 H SER 18 -4.718 -1.721 0.689 158 HA SER 18 HA SER 18 -2.577 -2.732 2.225 159 HB2 SER 18 2HB SER 18 -4.763 -3.911 1.579 160 HB3 SER 18 1HB SER 18 -3.994 -4.237 0.020 161 HG SER 18 HG SER 18 -2.748 -4.917 2.466 162 H PHE 19 H PHE 19 -2.951 -1.955 -1.163 163 HA PHE 19 HA PHE 19 -0.603 -3.333 -2.023 164 HB2 PHE 19 2HB PHE 19 -2.576 -2.821 -3.486 165 HB3 PHE 19 1HB PHE 19 -2.081 -1.129 -3.465 166 HD1 PHE 19 HD1 PHE 19 -0.341 -0.354 -4.858 167 HD2 PHE 19 HD2 PHE 19 -1.065 -4.524 -4.451 168 HE1 PHE 19 HE1 PHE 19 1.187 -0.794 -6.740 169 HE2 PHE 19 HE2 PHE 19 0.461 -4.979 -6.334 170 HZ PHE 19 HZ PHE 19 1.590 -3.111 -7.480 171 H LEU 20 H LEU 20 -1.401 0.142 -1.822 172 HA LEU 20 HA LEU 20 1.271 0.923 -2.348 173 HB2 LEU 20 2HB LEU 20 -1.179 2.370 -1.466 174 HB3 LEU 20 1HB LEU 20 0.373 3.180 -1.386 175 HG LEU 20 HG LEU 20 0.616 2.543 -3.862 176 HD11 LEU 20 1HD1 LEU 20 -1.258 0.932 -3.841 177 HD12 LEU 20 2HD1 LEU 20 -1.399 2.165 -5.094 178 HD13 LEU 20 3HD1 LEU 20 -2.369 2.282 -3.627 179 HD21 LEU 20 1HD2 LEU 20 -1.410 4.562 -2.924 180 HD22 LEU 20 2HD2 LEU 20 -0.736 4.507 -4.552 181 HD23 LEU 20 3HD2 LEU 20 0.317 4.816 -3.172 182 H GLY 21 H GLY 21 -0.440 0.154 0.591 183 HA2 GLY 21 2HA GLY 21 1.350 1.291 2.437 184 HA3 GLY 21 1HA GLY 21 0.401 -0.166 2.715 185 H CYS 22 H CYS 22 1.439 -1.724 0.654 186 HA CYS 22 HA CYS 22 3.886 -2.647 1.784 187 HB2 CYS 22 2HB CYS 22 2.230 -4.200 0.845 188 HB3 CYS 22 1HB CYS 22 2.432 -3.474 -0.746 189 HG CYS 22 HG CYS 22 5.270 -4.217 -0.689 190 H LYS 23 H LYS 23 2.989 -0.609 -0.922 191 HA LYS 23 HA LYS 23 5.618 -0.769 -2.103 192 HB2 LYS 23 2HB LYS 23 3.597 -0.441 -3.501 193 HB3 LYS 23 1HB LYS 23 3.348 1.123 -2.736 194 HG2 LYS 23 2HG LYS 23 5.489 1.898 -3.632 195 HG3 LYS 23 1HG LYS 23 5.719 0.334 -4.413 196 HD2 LYS 23 2HD LYS 23 3.711 0.692 -5.749 197 HD3 LYS 23 1HD LYS 23 3.447 2.243 -4.949 198 HE2 LYS 23 2HE LYS 23 5.828 1.501 -6.648 199 HE3 LYS 23 1HE LYS 23 4.491 2.542 -7.138 200 HZ1 LYS 23 1HZ LYS 23 6.382 3.851 -6.452 201 HZ2 LYS 23 2HZ LYS 23 6.418 3.090 -4.948 202 HZ3 LYS 23 3HZ LYS 23 5.113 4.079 -5.363 203 H VAL 24 H VAL 24 3.945 1.307 0.122 204 HA VAL 24 HA VAL 24 6.131 3.203 0.082 205 HB VAL 24 HB VAL 24 3.590 3.150 1.695 206 HG11 VAL 24 1HG1 VAL 24 5.525 5.421 1.500 207 HG12 VAL 24 2HG1 VAL 24 5.477 4.301 2.854 208 HG13 VAL 24 3HG1 VAL 24 4.079 5.320 2.503 209 HG21 VAL 24 1HG2 VAL 24 3.021 5.076 0.237 210 HG22 VAL 24 2HG2 VAL 24 3.200 3.550 -0.631 211 HG23 VAL 24 3HG2 VAL 24 4.497 4.747 -0.677 212 H VAL 25 H VAL 25 5.916 0.232 1.171 213 HA VAL 25 HA VAL 25 7.643 0.687 3.474 214 HB VAL 25 HB VAL 25 6.081 -1.442 2.766 215 HG11 VAL 25 1HG1 VAL 25 8.895 -2.131 1.945 216 HG12 VAL 25 2HG1 VAL 25 7.452 -2.133 0.924 217 HG13 VAL 25 3HG1 VAL 25 7.615 -3.318 2.226 218 HG21 VAL 25 1HG2 VAL 25 6.952 -0.992 4.986 219 HG22 VAL 25 2HG2 VAL 25 8.550 -1.545 4.485 220 HG23 VAL 25 3HG2 VAL 25 7.199 -2.679 4.543 221 H VAL 26 H VAL 26 7.651 0.217 0.085 222 HA VAL 26 HA VAL 26 10.295 -0.721 -0.277 223 HB VAL 26 HB VAL 26 8.354 0.535 -2.195 224 HG11 VAL 26 1HG1 VAL 26 10.902 -0.987 -2.762 225 HG12 VAL 26 2HG1 VAL 26 10.620 0.729 -3.056 226 HG13 VAL 26 3HG1 VAL 26 9.726 -0.482 -3.974 227 HG21 VAL 26 1HG2 VAL 26 7.517 -1.525 -1.235 228 HG22 VAL 26 2HG2 VAL 26 9.019 -2.356 -1.637 229 HG23 VAL 26 3HG2 VAL 26 7.952 -1.791 -2.923 230 H LEU 27 H LEU 27 8.718 2.338 -0.860 231 HA LEU 27 HA LEU 27 10.952 3.659 -1.810 232 HB2 LEU 27 2HB LEU 27 9.726 5.646 -1.761 233 HB3 LEU 27 1HB LEU 27 8.592 4.363 -2.101 234 HG LEU 27 HG LEU 27 8.693 6.251 0.153 235 HD11 LEU 27 1HD1 LEU 27 6.499 4.703 -1.195 236 HD12 LEU 27 2HD1 LEU 27 7.032 6.327 -1.631 237 HD13 LEU 27 3HD1 LEU 27 6.286 6.034 -0.062 238 HD21 LEU 27 1HD2 LEU 27 9.039 4.385 1.524 239 HD22 LEU 27 2HD2 LEU 27 8.004 3.358 0.533 240 HD23 LEU 27 3HD2 LEU 27 7.292 4.637 1.523 241 H LEU 28 H LEU 28 10.157 2.821 1.410 242 HA LEU 28 HA LEU 28 11.817 4.680 2.774 243 HB2 LEU 28 2HB LEU 28 11.118 1.839 3.531 244 HB3 LEU 28 1HB LEU 28 11.790 3.046 4.607 245 HG LEU 28 HG LEU 28 9.068 3.171 3.313 246 HD11 LEU 28 1HD1 LEU 28 9.864 2.643 6.173 247 HD12 LEU 28 2HD1 LEU 28 9.236 1.448 5.038 248 HD13 LEU 28 3HD1 LEU 28 8.217 2.787 5.561 249 HD21 LEU 28 1HD2 LEU 28 9.979 5.390 3.643 250 HD22 LEU 28 2HD2 LEU 28 10.403 4.997 5.310 251 HD23 LEU 28 3HD2 LEU 28 8.709 5.082 4.826 252 H LYS 29 H LYS 29 12.340 1.480 1.379 253 HA LYS 29 HA LYS 29 15.140 1.465 2.109 254 HB2 LYS 29 2HB LYS 29 13.400 -0.413 0.522 255 HB3 LYS 29 1HB LYS 29 15.138 -0.632 0.627 256 HG2 LYS 29 2HG LYS 29 14.135 -2.057 2.238 257 HG3 LYS 29 1HG LYS 29 14.896 -0.731 3.113 258 HD2 LYS 29 2HD LYS 29 12.712 0.375 3.307 259 HD3 LYS 29 1HD LYS 29 11.960 -0.976 2.459 260 HE2 LYS 29 2HE LYS 29 13.433 -1.150 5.086 261 HE3 LYS 29 1HE LYS 29 11.682 -1.128 4.895 262 HZ1 LYS 29 1HZ LYS 29 11.860 -3.189 3.610 263 HZ2 LYS 29 2HZ LYS 29 12.457 -3.370 5.179 264 HZ3 LYS 29 3HZ LYS 29 13.530 -3.219 3.881 265 H ARG 30 H ARG 30 13.196 2.071 -0.752 266 HA ARG 30 HA ARG 30 15.650 2.581 -2.295 267 HB2 ARG 30 2HB ARG 30 12.841 2.129 -3.324 268 HB3 ARG 30 1HB ARG 30 14.296 2.285 -4.299 269 HG2 ARG 30 2HG ARG 30 13.682 0.061 -2.365 270 HG3 ARG 30 1HG ARG 30 13.611 -0.029 -4.125 271 HD2 ARG 30 2HD ARG 30 16.011 0.434 -4.243 272 HD3 ARG 30 1HD ARG 30 16.078 0.530 -2.485 273 HE ARG 30 HE ARG 30 14.986 -1.952 -3.284 274 HH11 ARG 30 1HH1 ARG 30 18.020 -0.217 -3.108 275 HH12 ARG 30 2HH1 ARG 30 18.983 -1.658 -3.009 276 HH21 ARG 30 1HH2 ARG 30 16.251 -3.849 -3.123 277 HH22 ARG 30 2HH2 ARG 30 17.975 -3.722 -3.010 Start of MODEL 2 1 H1 MET 1 1H MET 1 -15.533 17.053 13.696 2 H2 MET 1 2H MET 1 -14.320 15.879 13.598 3 H3 MET 1 3H MET 1 -15.347 15.923 14.939 4 HA MET 1 HA MET 1 -17.226 15.335 13.607 5 HB2 MET 1 2HB MET 1 -15.207 15.346 11.362 6 HB3 MET 1 1HB MET 1 -16.785 14.587 11.236 7 HG2 MET 1 2HG MET 1 -17.850 16.749 11.635 8 HG3 MET 1 1HG MET 1 -16.263 17.506 11.746 9 HE1 MET 1 1HE MET 1 -18.796 15.619 9.435 10 HE2 MET 1 2HE MET 1 -17.345 14.636 9.234 11 HE3 MET 1 3HE MET 1 -17.947 15.603 7.890 12 H ALA 2 H ALA 2 -17.763 13.147 13.209 13 HA ALA 2 HA ALA 2 -15.604 11.192 13.577 14 HB1 ALA 2 1HB ALA 2 -16.976 9.960 15.193 15 HB2 ALA 2 2HB ALA 2 -18.194 11.231 15.125 16 HB3 ALA 2 3HB ALA 2 -16.594 11.580 15.775 17 H THR 3 H THR 3 -17.076 12.045 11.258 18 HA THR 3 HA THR 3 -19.071 10.013 10.732 19 HB THR 3 HB THR 3 -17.991 12.122 8.856 20 HG1 THR 3 HG1 THR 3 -20.453 12.489 10.102 21 HG21 THR 3 1HG2 THR 3 -20.147 11.840 7.718 22 HG22 THR 3 2HG2 THR 3 -20.587 10.577 8.864 23 HG23 THR 3 3HG2 THR 3 -19.240 10.330 7.754 24 H LYS 4 H LYS 4 -18.627 8.118 9.823 25 HA LYS 4 HA LYS 4 -15.972 7.393 9.115 26 HB2 LYS 4 2HB LYS 4 -17.527 5.781 10.095 27 HB3 LYS 4 1HB LYS 4 -18.581 5.924 8.695 28 HG2 LYS 4 2HG LYS 4 -16.784 5.013 7.281 29 HG3 LYS 4 1HG LYS 4 -15.777 4.818 8.712 30 HD2 LYS 4 2HD LYS 4 -18.445 3.492 8.243 31 HD3 LYS 4 1HD LYS 4 -16.867 2.719 8.063 32 HE2 LYS 4 2HE LYS 4 -16.409 3.178 10.436 33 HE3 LYS 4 1HE LYS 4 -18.020 3.871 10.597 34 HZ1 LYS 4 1HZ LYS 4 -17.951 1.580 11.361 35 HZ2 LYS 4 2HZ LYS 4 -17.426 1.066 9.840 36 HZ3 LYS 4 3HZ LYS 4 -18.965 1.733 10.017 37 H HIS 5 H HIS 5 -15.044 8.120 7.355 38 HA HIS 5 HA HIS 5 -16.521 8.522 4.899 39 HB2 HIS 5 2HB HIS 5 -14.762 10.108 5.509 40 HB3 HIS 5 1HB HIS 5 -13.579 8.811 5.550 41 HD1 HIS 5 HD1 HIS 5 -15.294 11.158 3.257 42 HD2 HIS 5 HD2 HIS 5 -12.830 7.821 2.971 43 HE1 HIS 5 HE1 HIS 5 -14.476 11.120 0.883 44 HE2 HIS 5 HE2 HIS 5 -12.856 9.197 0.783 45 H GLY 6 H GLY 6 -16.895 6.915 3.522 46 HA2 GLY 6 2HA GLY 6 -15.493 5.411 2.013 47 HA3 GLY 6 1HA GLY 6 -15.025 4.638 3.520 48 H LYS 7 H LYS 7 -17.517 4.694 4.816 49 HA LYS 7 HA LYS 7 -19.223 3.298 5.163 50 HB2 LYS 7 2HB LYS 7 -19.706 4.018 2.323 51 HB3 LYS 7 1HB LYS 7 -20.843 3.133 3.305 52 HG2 LYS 7 2HG LYS 7 -19.812 5.871 3.966 53 HG3 LYS 7 1HG LYS 7 -21.334 5.553 3.135 54 HD2 LYS 7 2HD LYS 7 -20.632 4.514 5.880 55 HD3 LYS 7 1HD LYS 7 -21.586 5.965 5.576 56 HE2 LYS 7 2HE LYS 7 -23.258 4.631 4.403 57 HE3 LYS 7 1HE LYS 7 -22.301 3.177 4.673 58 HZ1 LYS 7 1HZ LYS 7 -22.615 3.407 7.027 59 HZ2 LYS 7 2HZ LYS 7 -24.124 3.430 6.268 60 HZ3 LYS 7 3HZ LYS 7 -23.439 4.870 6.825 61 H ASN 8 H ASN 8 -19.214 2.185 1.929 62 HA ASN 8 HA ASN 8 -17.992 -0.349 2.792 63 HB2 ASN 8 2HB ASN 8 -20.408 -0.588 2.377 64 HB3 ASN 8 1HB ASN 8 -20.191 0.026 0.744 65 HD21 ASN 8 1HD2 ASN 8 -19.300 -3.824 1.673 66 HD22 ASN 8 2HD2 ASN 8 -19.629 -2.652 2.898 67 H SER 9 H SER 9 -17.781 2.284 0.654 68 HA SER 9 HA SER 9 -16.603 0.895 -1.559 69 HB2 SER 9 2HB SER 9 -17.853 2.991 -1.899 70 HB3 SER 9 1HB SER 9 -16.660 3.858 -0.932 71 HG SER 9 HG SER 9 -15.081 3.145 -2.521 72 H TRP 10 H TRP 10 -15.478 2.099 1.423 73 HA TRP 10 HA TRP 10 -12.856 2.811 0.858 74 HB2 TRP 10 2HB TRP 10 -12.295 2.131 3.150 75 HB3 TRP 10 1HB TRP 10 -13.759 3.050 3.128 76 HD1 TRP 10 HD1 TRP 10 -16.076 1.641 3.574 77 HE1 TRP 10 HE1 TRP 10 -16.396 -0.617 4.812 78 HE3 TRP 10 HE3 TRP 10 -11.313 0.134 3.478 79 HZ2 TRP 10 HZ2 TRP 10 -14.688 -2.791 5.615 80 HZ3 TRP 10 HZ3 TRP 10 -10.683 -1.957 4.481 81 HH2 TRP 10 HH2 TRP 10 -12.318 -3.424 5.532 82 H LYS 11 H LYS 11 -14.315 -0.357 1.008 83 HA LYS 11 HA LYS 11 -12.078 -1.932 1.568 84 HB2 LYS 11 2HB LYS 11 -14.349 -2.583 -0.310 85 HB3 LYS 11 1HB LYS 11 -13.314 -3.698 0.546 86 HG2 LYS 11 2HG LYS 11 -14.225 -2.969 2.675 87 HG3 LYS 11 1HG LYS 11 -15.237 -1.791 1.837 88 HD2 LYS 11 2HD LYS 11 -16.499 -3.805 2.431 89 HD3 LYS 11 1HD LYS 11 -16.395 -3.598 0.680 90 HE2 LYS 11 2HE LYS 11 -14.577 -5.188 0.576 91 HE3 LYS 11 1HE LYS 11 -14.611 -5.361 2.334 92 HZ1 LYS 11 1HZ LYS 11 -16.854 -6.263 2.148 93 HZ2 LYS 11 2HZ LYS 11 -15.752 -7.188 1.264 94 HZ3 LYS 11 3HZ LYS 11 -16.792 -6.123 0.463 95 H THR 12 H THR 12 -13.311 -0.667 -1.391 96 HA THR 12 HA THR 12 -11.491 -1.894 -3.179 97 HB THR 12 HB THR 12 -13.692 -0.014 -3.097 98 HG1 THR 12 HG1 THR 12 -14.266 -1.855 -3.974 99 HG21 THR 12 1HG2 THR 12 -13.317 1.000 -5.301 100 HG22 THR 12 2HG2 THR 12 -11.710 0.276 -5.369 101 HG23 THR 12 3HG2 THR 12 -12.079 1.500 -4.152 102 H LEU 13 H LEU 13 -11.599 1.076 -1.360 103 HA LEU 13 HA LEU 13 -9.209 2.280 -2.376 104 HB2 LEU 13 2HB LEU 13 -10.281 3.916 -1.236 105 HB3 LEU 13 1HB LEU 13 -11.237 2.752 -0.339 106 HG LEU 13 HG LEU 13 -8.555 2.778 0.685 107 HD11 LEU 13 1HD1 LEU 13 -8.511 5.060 1.576 108 HD12 LEU 13 2HD1 LEU 13 -9.926 5.456 0.598 109 HD13 LEU 13 3HD1 LEU 13 -8.402 5.033 -0.185 110 HD21 LEU 13 1HD2 LEU 13 -9.700 3.300 2.798 111 HD22 LEU 13 2HD2 LEU 13 -10.499 1.977 1.943 112 HD23 LEU 13 3HD2 LEU 13 -11.193 3.601 1.910 113 H TYR 14 H TYR 14 -10.024 -0.112 -0.090 114 HA TYR 14 HA TYR 14 -7.812 0.206 1.666 115 HB2 TYR 14 2HB TYR 14 -10.092 -0.579 2.293 116 HB3 TYR 14 1HB TYR 14 -9.774 -2.071 1.422 117 HD1 TYR 14 HD1 TYR 14 -8.806 -0.020 4.301 118 HD2 TYR 14 HD2 TYR 14 -8.466 -3.781 2.346 119 HE1 TYR 14 HE1 TYR 14 -7.713 -0.952 6.297 120 HE2 TYR 14 HE2 TYR 14 -7.400 -4.734 4.332 121 HH TYR 14 HH TYR 14 -6.167 -4.014 6.298 122 H LEU 15 H LEU 15 -8.675 -2.068 -0.873 123 HA LEU 15 HA LEU 15 -6.493 -3.744 -0.531 124 HB2 LEU 15 2HB LEU 15 -8.854 -3.983 -1.636 125 HB3 LEU 15 1HB LEU 15 -8.012 -3.408 -3.076 126 HG LEU 15 HG LEU 15 -6.314 -5.147 -2.394 127 HD11 LEU 15 1HD1 LEU 15 -7.170 -7.109 -1.286 128 HD12 LEU 15 2HD1 LEU 15 -8.764 -6.367 -1.174 129 HD13 LEU 15 3HD1 LEU 15 -7.415 -5.691 -0.258 130 HD21 LEU 15 1HD2 LEU 15 -8.923 -5.892 -3.686 131 HD22 LEU 15 2HD2 LEU 15 -7.437 -6.833 -3.815 132 HD23 LEU 15 3HD2 LEU 15 -7.512 -5.207 -4.494 133 H LYS 16 H LYS 16 -7.134 -0.783 -2.134 134 HA LYS 16 HA LYS 16 -4.735 -0.658 -3.675 135 HB2 LYS 16 2HB LYS 16 -6.567 0.710 -4.374 136 HB3 LYS 16 1HB LYS 16 -6.813 1.332 -2.758 137 HG2 LYS 16 2HG LYS 16 -4.270 1.933 -4.189 138 HG3 LYS 16 1HG LYS 16 -5.739 2.828 -4.577 139 HD2 LYS 16 2HD LYS 16 -5.992 3.387 -2.188 140 HD3 LYS 16 1HD LYS 16 -4.471 2.560 -1.857 141 HE2 LYS 16 2HE LYS 16 -4.117 4.962 -2.009 142 HE3 LYS 16 1HE LYS 16 -3.302 4.132 -3.333 143 HZ1 LYS 16 1HZ LYS 16 -5.120 4.734 -4.793 144 HZ2 LYS 16 2HZ LYS 16 -4.459 6.119 -4.087 145 HZ3 LYS 16 3HZ LYS 16 -5.928 5.503 -3.523 146 H ILE 17 H ILE 17 -5.833 0.326 -0.486 147 HA ILE 17 HA ILE 17 -3.569 1.687 0.390 148 HB ILE 17 HB ILE 17 -5.902 0.379 1.674 149 HG12 ILE 17 2HG1 ILE 17 -4.702 3.144 1.869 150 HG13 ILE 17 1HG1 ILE 17 -6.049 2.673 0.837 151 HG21 ILE 17 1HG2 ILE 17 -4.044 -0.324 3.095 152 HG22 ILE 17 2HG2 ILE 17 -5.127 0.799 3.918 153 HG23 ILE 17 3HG2 ILE 17 -3.572 1.363 3.299 154 HD11 ILE 17 1HD1 ILE 17 -6.819 3.842 2.817 155 HD12 ILE 17 2HD1 ILE 17 -6.034 2.645 3.847 156 HD13 ILE 17 3HD1 ILE 17 -7.387 2.172 2.817 157 H SER 18 H SER 18 -4.479 -1.715 0.540 158 HA SER 18 HA SER 18 -2.199 -2.578 1.990 159 HB2 SER 18 2HB SER 18 -4.431 -3.810 1.630 160 HB3 SER 18 1HB SER 18 -3.772 -4.282 0.061 161 HG SER 18 HG SER 18 -2.801 -4.912 2.645 162 H PHE 19 H PHE 19 -2.705 -1.644 -1.251 163 HA PHE 19 HA PHE 19 -0.496 -3.199 -2.302 164 HB2 PHE 19 2HB PHE 19 -2.623 -2.779 -3.590 165 HB3 PHE 19 1HB PHE 19 -2.130 -1.093 -3.721 166 HD1 PHE 19 HD1 PHE 19 -1.254 -4.542 -4.627 167 HD2 PHE 19 HD2 PHE 19 -0.499 -0.413 -5.301 168 HE1 PHE 19 HE1 PHE 19 0.086 -5.117 -6.616 169 HE2 PHE 19 HE2 PHE 19 0.833 -0.974 -7.292 170 HZ PHE 19 HZ PHE 19 1.130 -3.330 -7.949 171 H LEU 20 H LEU 20 -1.336 0.286 -2.238 172 HA LEU 20 HA LEU 20 1.336 1.024 -2.913 173 HB2 LEU 20 2HB LEU 20 -1.079 2.576 -2.079 174 HB3 LEU 20 1HB LEU 20 0.486 3.358 -2.188 175 HG LEU 20 HG LEU 20 0.569 2.478 -4.586 176 HD11 LEU 20 1HD1 LEU 20 -2.392 2.245 -4.185 177 HD12 LEU 20 2HD1 LEU 20 -1.295 0.870 -4.215 178 HD13 LEU 20 3HD1 LEU 20 -1.469 1.892 -5.643 179 HD21 LEU 20 1HD2 LEU 20 -0.845 4.337 -5.412 180 HD22 LEU 20 2HD2 LEU 20 0.258 4.815 -4.123 181 HD23 LEU 20 3HD2 LEU 20 -1.450 4.561 -3.772 182 H GLY 21 H GLY 21 -0.374 0.565 0.100 183 HA2 GLY 21 2HA GLY 21 1.533 1.749 1.809 184 HA3 GLY 21 1HA GLY 21 0.477 0.406 2.235 185 H CYS 22 H CYS 22 1.417 -1.308 0.143 186 HA CYS 22 HA CYS 22 3.789 -2.359 1.372 187 HB2 CYS 22 2HB CYS 22 1.953 -3.816 0.549 188 HB3 CYS 22 1HB CYS 22 2.296 -3.291 -1.093 189 HG CYS 22 HG CYS 22 4.418 -5.092 0.904 190 H LYS 23 H LYS 23 3.073 -0.219 -1.220 191 HA LYS 23 HA LYS 23 5.690 -0.591 -2.436 192 HB2 LYS 23 2HB LYS 23 3.538 1.440 -3.040 193 HB3 LYS 23 1HB LYS 23 5.014 1.219 -3.966 194 HG2 LYS 23 2HG LYS 23 4.293 -1.086 -4.484 195 HG3 LYS 23 1HG LYS 23 2.773 -0.764 -3.649 196 HD2 LYS 23 2HD LYS 23 2.385 -0.454 -5.981 197 HD3 LYS 23 1HD LYS 23 2.409 1.144 -5.235 198 HE2 LYS 23 2HE LYS 23 3.645 1.204 -7.304 199 HE3 LYS 23 1HE LYS 23 4.760 1.406 -5.954 200 HZ1 LYS 23 1HZ LYS 23 5.693 -0.111 -7.537 201 HZ2 LYS 23 2HZ LYS 23 4.304 -1.075 -7.521 202 HZ3 LYS 23 3HZ LYS 23 5.284 -0.985 -6.147 203 H VAL 24 H VAL 24 4.018 1.623 -0.338 204 HA VAL 24 HA VAL 24 6.361 3.313 -0.147 205 HB VAL 24 HB VAL 24 3.656 3.510 1.164 206 HG11 VAL 24 1HG1 VAL 24 5.504 4.553 2.490 207 HG12 VAL 24 2HG1 VAL 24 4.225 5.652 1.978 208 HG13 VAL 24 3HG1 VAL 24 5.763 5.630 1.122 209 HG21 VAL 24 1HG2 VAL 24 3.372 5.402 -0.395 210 HG22 VAL 24 2HG2 VAL 24 3.575 3.852 -1.211 211 HG23 VAL 24 3HG2 VAL 24 4.927 4.983 -1.120 212 H VAL 25 H VAL 25 5.754 0.387 0.972 213 HA VAL 25 HA VAL 25 7.218 0.808 3.457 214 HB VAL 25 HB VAL 25 5.521 -1.138 2.898 215 HG11 VAL 25 1HG1 VAL 25 6.704 -3.206 2.224 216 HG12 VAL 25 2HG1 VAL 25 8.124 -2.225 1.842 217 HG13 VAL 25 3HG1 VAL 25 6.623 -1.994 0.942 218 HG21 VAL 25 1HG2 VAL 25 6.625 -0.855 5.031 219 HG22 VAL 25 2HG2 VAL 25 8.095 -1.587 4.390 220 HG23 VAL 25 3HG2 VAL 25 6.629 -2.553 4.560 221 H VAL 26 H VAL 26 7.636 0.253 0.124 222 HA VAL 26 HA VAL 26 10.206 -0.959 0.147 223 HB VAL 26 HB VAL 26 8.727 0.446 -2.064 224 HG11 VAL 26 1HG1 VAL 26 11.123 0.232 -2.522 225 HG12 VAL 26 2HG1 VAL 26 10.175 -0.800 -3.592 226 HG13 VAL 26 3HG1 VAL 26 11.031 -1.503 -2.221 227 HG21 VAL 26 1HG2 VAL 26 8.837 -2.486 -1.363 228 HG22 VAL 26 2HG2 VAL 26 8.068 -1.808 -2.797 229 HG23 VAL 26 3HG2 VAL 26 7.444 -1.421 -1.192 230 H LEU 27 H LEU 27 8.987 2.209 -0.676 231 HA LEU 27 HA LEU 27 11.446 3.320 -1.312 232 HB2 LEU 27 2HB LEU 27 10.395 5.400 -1.483 233 HB3 LEU 27 1HB LEU 27 9.220 4.206 -1.972 234 HG LEU 27 HG LEU 27 9.133 6.149 0.231 235 HD11 LEU 27 1HD1 LEU 27 7.761 6.255 -1.800 236 HD12 LEU 27 2HD1 LEU 27 6.783 6.119 -0.338 237 HD13 LEU 27 3HD1 LEU 27 7.027 4.709 -1.367 238 HD21 LEU 27 1HD2 LEU 27 8.149 3.333 0.566 239 HD22 LEU 27 2HD2 LEU 27 7.449 4.703 1.433 240 HD23 LEU 27 3HD2 LEU 27 9.148 4.288 1.664 241 H LEU 28 H LEU 28 10.118 2.590 1.733 242 HA LEU 28 HA LEU 28 11.811 4.302 3.294 243 HB2 LEU 28 2HB LEU 28 10.485 1.697 4.061 244 HB3 LEU 28 1HB LEU 28 11.177 2.862 5.168 245 HG LEU 28 HG LEU 28 8.764 3.322 3.419 246 HD11 LEU 28 1HD1 LEU 28 8.321 1.765 5.231 247 HD12 LEU 28 2HD1 LEU 28 7.529 3.311 5.529 248 HD13 LEU 28 3HD1 LEU 28 9.009 2.898 6.392 249 HD21 LEU 28 1HD2 LEU 28 10.007 5.380 3.767 250 HD22 LEU 28 2HD2 LEU 28 10.060 5.078 5.503 251 HD23 LEU 28 3HD2 LEU 28 8.518 5.399 4.711 252 H LYS 29 H LYS 29 11.923 0.968 2.131 253 HA LYS 29 HA LYS 29 14.392 0.316 3.403 254 HB2 LYS 29 2HB LYS 29 13.196 -1.010 0.961 255 HB3 LYS 29 1HB LYS 29 14.360 -1.702 2.079 256 HG2 LYS 29 2HG LYS 29 11.461 -1.091 2.589 257 HG3 LYS 29 1HG LYS 29 12.243 -2.672 2.541 258 HD2 LYS 29 2HD LYS 29 13.583 -2.016 4.523 259 HD3 LYS 29 1HD LYS 29 12.677 -0.501 4.586 260 HE2 LYS 29 2HE LYS 29 11.696 -2.004 6.162 261 HE3 LYS 29 1HE LYS 29 10.586 -1.847 4.801 262 HZ1 LYS 29 1HZ LYS 29 12.455 -4.103 5.292 263 HZ2 LYS 29 2HZ LYS 29 11.472 -3.944 3.926 264 HZ3 LYS 29 3HZ LYS 29 10.770 -4.140 5.450 265 H ARG 30 H ARG 30 13.469 1.687 0.345 266 HA ARG 30 HA ARG 30 14.576 2.702 -1.326 267 HB2 ARG 30 2HB ARG 30 16.694 2.740 0.784 268 HB3 ARG 30 1HB ARG 30 16.985 3.417 -0.813 269 HG2 ARG 30 2HG ARG 30 14.810 4.270 1.087 270 HG3 ARG 30 1HG ARG 30 16.341 5.111 0.841 271 HD2 ARG 30 2HD ARG 30 15.753 5.487 -1.507 272 HD3 ARG 30 1HD ARG 30 14.224 4.642 -1.260 273 HE ARG 30 HE ARG 30 14.506 6.773 0.587 274 HH11 ARG 30 1HH1 ARG 30 13.764 6.132 -2.776 275 HH12 ARG 30 2HH1 ARG 30 12.806 7.566 -2.968 276 HH21 ARG 30 1HH2 ARG 30 13.258 8.657 0.336 277 HH22 ARG 30 2HH2 ARG 30 12.531 9.013 -1.200 Start of MODEL 3 1 H1 MET 1 1H MET 1 -12.591 5.609 17.530 2 H2 MET 1 2H MET 1 -12.234 4.812 16.085 3 H3 MET 1 3H MET 1 -12.882 3.951 17.380 4 HA MET 1 HA MET 1 -14.541 4.365 15.689 5 HB2 MET 1 2HB MET 1 -14.947 5.895 18.269 6 HB3 MET 1 1HB MET 1 -16.236 5.457 17.159 7 HG2 MET 1 2HG MET 1 -15.748 3.092 17.531 8 HG3 MET 1 1HG MET 1 -14.462 3.538 18.648 9 HE1 MET 1 1HE MET 1 -18.045 5.181 18.207 10 HE2 MET 1 2HE MET 1 -18.959 4.266 19.406 11 HE3 MET 1 3HE MET 1 -18.309 3.451 17.984 12 H ALA 2 H ALA 2 -12.481 6.173 14.876 13 HA ALA 2 HA ALA 2 -13.859 8.740 14.652 14 HB1 ALA 2 1HB ALA 2 -11.743 9.614 13.804 15 HB2 ALA 2 2HB ALA 2 -11.049 7.994 13.867 16 HB3 ALA 2 3HB ALA 2 -11.525 8.807 15.357 17 H THR 3 H THR 3 -13.431 5.899 12.980 18 HA THR 3 HA THR 3 -14.130 7.174 10.425 19 HB THR 3 HB THR 3 -13.478 4.800 9.529 20 HG1 THR 3 HG1 THR 3 -11.534 4.739 11.491 21 HG21 THR 3 1HG2 THR 3 -12.310 6.875 8.963 22 HG22 THR 3 2HG2 THR 3 -11.172 5.551 9.204 23 HG23 THR 3 3HG2 THR 3 -11.388 6.769 10.461 24 H LYS 4 H LYS 4 -15.868 6.351 9.247 25 HA LYS 4 HA LYS 4 -17.858 5.033 10.917 26 HB2 LYS 4 2HB LYS 4 -18.116 6.394 8.230 27 HB3 LYS 4 1HB LYS 4 -19.452 5.726 9.155 28 HG2 LYS 4 2HG LYS 4 -18.936 7.306 10.980 29 HG3 LYS 4 1HG LYS 4 -17.674 8.014 9.972 30 HD2 LYS 4 2HD LYS 4 -20.604 7.885 9.256 31 HD3 LYS 4 1HD LYS 4 -19.780 9.302 9.910 32 HE2 LYS 4 2HE LYS 4 -18.318 9.364 7.961 33 HE3 LYS 4 1HE LYS 4 -19.098 7.921 7.319 34 HZ1 LYS 4 1HZ LYS 4 -19.958 9.912 6.276 35 HZ2 LYS 4 2HZ LYS 4 -20.416 10.540 7.775 36 HZ3 LYS 4 3HZ LYS 4 -21.173 9.155 7.174 37 H HIS 5 H HIS 5 -18.380 2.965 10.687 38 HA HIS 5 HA HIS 5 -17.211 1.443 8.496 39 HB2 HIS 5 2HB HIS 5 -17.190 0.710 10.945 40 HB3 HIS 5 1HB HIS 5 -18.903 0.366 10.750 41 HD1 HIS 5 HD1 HIS 5 -19.465 -1.921 9.962 42 HD2 HIS 5 HD2 HIS 5 -15.531 -0.892 9.098 43 HE1 HIS 5 HE1 HIS 5 -18.410 -4.004 9.031 44 HE2 HIS 5 HE2 HIS 5 -15.989 -3.404 8.679 45 H GLY 6 H GLY 6 -19.851 3.266 8.769 46 HA2 GLY 6 2HA GLY 6 -21.834 1.583 7.565 47 HA3 GLY 6 1HA GLY 6 -21.882 3.340 7.671 48 H LYS 7 H LYS 7 -19.158 3.449 6.436 49 HA LYS 7 HA LYS 7 -19.926 3.711 3.716 50 HB2 LYS 7 2HB LYS 7 -18.115 5.016 4.868 51 HB3 LYS 7 1HB LYS 7 -17.132 3.563 4.873 52 HG2 LYS 7 2HG LYS 7 -16.346 4.768 3.050 53 HG3 LYS 7 1HG LYS 7 -17.434 3.580 2.328 54 HD2 LYS 7 2HD LYS 7 -19.200 5.266 2.215 55 HD3 LYS 7 1HD LYS 7 -18.121 6.451 2.951 56 HE2 LYS 7 2HE LYS 7 -16.560 6.106 1.031 57 HE3 LYS 7 1HE LYS 7 -17.790 5.093 0.280 58 HZ1 LYS 7 1HZ LYS 7 -17.892 7.327 -0.581 59 HZ2 LYS 7 2HZ LYS 7 -18.076 7.965 0.977 60 HZ3 LYS 7 3HZ LYS 7 -19.295 7.001 0.306 61 H ASN 8 H ASN 8 -19.199 2.457 1.922 62 HA ASN 8 HA ASN 8 -18.397 -0.292 2.612 63 HB2 ASN 8 2HB ASN 8 -20.702 -0.414 2.014 64 HB3 ASN 8 1HB ASN 8 -20.469 0.644 0.626 65 HD21 ASN 8 1HD2 ASN 8 -19.736 -3.329 0.361 66 HD22 ASN 8 2HD2 ASN 8 -20.086 -2.569 1.877 67 H SER 9 H SER 9 -18.329 2.266 0.176 68 HA SER 9 HA SER 9 -16.899 0.757 -1.736 69 HB2 SER 9 2HB SER 9 -17.220 3.753 -1.562 70 HB3 SER 9 1HB SER 9 -16.772 2.832 -2.997 71 HG SER 9 HG SER 9 -18.828 1.782 -2.829 72 H TRP 10 H TRP 10 -15.756 1.914 1.118 73 HA TRP 10 HA TRP 10 -13.244 2.929 0.205 74 HB2 TRP 10 2HB TRP 10 -12.513 2.688 2.540 75 HB3 TRP 10 1HB TRP 10 -13.969 3.601 2.408 76 HD1 TRP 10 HD1 TRP 10 -16.257 2.345 3.253 77 HE1 TRP 10 HE1 TRP 10 -16.492 0.492 5.060 78 HE3 TRP 10 HE3 TRP 10 -11.521 0.757 3.214 79 HZ2 TRP 10 HZ2 TRP 10 -14.748 -1.412 6.285 80 HZ3 TRP 10 HZ3 TRP 10 -10.828 -1.021 4.689 81 HH2 TRP 10 HH2 TRP 10 -12.400 -2.126 6.195 82 H LYS 11 H LYS 11 -14.467 -0.252 1.052 83 HA LYS 11 HA LYS 11 -11.994 -1.458 1.623 84 HB2 LYS 11 2HB LYS 11 -14.649 -2.436 0.692 85 HB3 LYS 11 1HB LYS 11 -13.269 -3.501 0.641 86 HG2 LYS 11 2HG LYS 11 -12.932 -3.308 3.002 87 HG3 LYS 11 1HG LYS 11 -14.164 -2.052 3.107 88 HD2 LYS 11 2HD LYS 11 -14.734 -4.857 2.175 89 HD3 LYS 11 1HD LYS 11 -14.874 -4.352 3.859 90 HE2 LYS 11 2HE LYS 11 -16.514 -2.644 3.191 91 HE3 LYS 11 1HE LYS 11 -16.390 -3.193 1.520 92 HZ1 LYS 11 1HZ LYS 11 -17.291 -5.300 2.124 93 HZ2 LYS 11 2HZ LYS 11 -18.318 -4.108 2.745 94 HZ3 LYS 11 3HZ LYS 11 -17.250 -4.920 3.771 95 H THR 12 H THR 12 -13.659 -0.834 -1.346 96 HA THR 12 HA THR 12 -11.932 -2.128 -3.152 97 HB THR 12 HB THR 12 -14.052 -0.080 -3.178 98 HG1 THR 12 HG1 THR 12 -15.026 -1.817 -3.806 99 HG21 THR 12 1HG2 THR 12 -12.286 -0.486 -5.598 100 HG22 THR 12 2HG2 THR 12 -12.411 0.994 -4.645 101 HG23 THR 12 3HG2 THR 12 -13.802 0.416 -5.561 102 H LEU 13 H LEU 13 -11.793 0.892 -1.457 103 HA LEU 13 HA LEU 13 -9.464 1.924 -2.853 104 HB2 LEU 13 2HB LEU 13 -10.400 3.799 -1.998 105 HB3 LEU 13 1HB LEU 13 -11.441 2.861 -0.945 106 HG LEU 13 HG LEU 13 -8.743 2.961 0.090 107 HD11 LEU 13 1HD1 LEU 13 -8.721 5.337 0.671 108 HD12 LEU 13 2HD1 LEU 13 -10.146 5.591 -0.336 109 HD13 LEU 13 3HD1 LEU 13 -8.624 5.090 -1.073 110 HD21 LEU 13 1HD2 LEU 13 -9.894 3.696 2.114 111 HD22 LEU 13 2HD2 LEU 13 -10.739 2.324 1.393 112 HD23 LEU 13 3HD2 LEU 13 -11.375 3.959 1.196 113 H TYR 14 H TYR 14 -10.223 -0.098 -0.218 114 HA TYR 14 HA TYR 14 -8.050 0.616 1.467 115 HB2 TYR 14 2HB TYR 14 -10.256 -0.171 2.273 116 HB3 TYR 14 1HB TYR 14 -9.881 -1.770 1.639 117 HD1 TYR 14 HD1 TYR 14 -8.251 -3.161 2.674 118 HD2 TYR 14 HD2 TYR 14 -9.116 0.701 4.204 119 HE1 TYR 14 HE1 TYR 14 -6.994 -3.719 4.683 120 HE2 TYR 14 HE2 TYR 14 -7.851 0.173 6.250 121 HH TYR 14 HH TYR 14 -5.791 -2.493 6.512 122 H LEU 15 H LEU 15 -8.729 -2.086 -0.680 123 HA LEU 15 HA LEU 15 -6.360 -3.465 0.146 124 HB2 LEU 15 2HB LEU 15 -7.973 -4.077 -2.314 125 HB3 LEU 15 1HB LEU 15 -6.971 -5.148 -1.351 126 HG LEU 15 HG LEU 15 -9.431 -3.887 -0.211 127 HD11 LEU 15 1HD1 LEU 15 -10.627 -5.948 -0.727 128 HD12 LEU 15 2HD1 LEU 15 -9.222 -6.550 -1.605 129 HD13 LEU 15 3HD1 LEU 15 -10.096 -5.139 -2.200 130 HD21 LEU 15 1HD2 LEU 15 -9.297 -5.725 1.364 131 HD22 LEU 15 2HD2 LEU 15 -7.785 -4.819 1.348 132 HD23 LEU 15 3HD2 LEU 15 -7.892 -6.371 0.518 133 H LYS 16 H LYS 16 -7.259 -1.073 -2.087 134 HA LYS 16 HA LYS 16 -4.901 -1.110 -3.688 135 HB2 LYS 16 2HB LYS 16 -6.816 0.027 -4.562 136 HB3 LYS 16 1HB LYS 16 -7.065 0.903 -3.067 137 HG2 LYS 16 2HG LYS 16 -4.552 1.397 -4.563 138 HG3 LYS 16 1HG LYS 16 -6.060 2.066 -5.195 139 HD2 LYS 16 2HD LYS 16 -6.489 3.101 -3.005 140 HD3 LYS 16 1HD LYS 16 -4.947 2.474 -2.424 141 HE2 LYS 16 2HE LYS 16 -3.762 3.786 -4.097 142 HE3 LYS 16 1HE LYS 16 -5.293 4.372 -4.746 143 HZ1 LYS 16 1HZ LYS 16 -4.293 4.880 -1.997 144 HZ2 LYS 16 2HZ LYS 16 -5.730 5.478 -2.659 145 HZ3 LYS 16 3HZ LYS 16 -4.243 5.986 -3.275 146 H ILE 17 H ILE 17 -5.981 0.341 -0.686 147 HA ILE 17 HA ILE 17 -3.741 1.892 -0.091 148 HB ILE 17 HB ILE 17 -6.008 0.732 1.434 149 HG12 ILE 17 2HG1 ILE 17 -4.879 3.524 1.193 150 HG13 ILE 17 1HG1 ILE 17 -6.227 2.871 0.266 151 HG21 ILE 17 1HG2 ILE 17 -5.214 1.468 3.572 152 HG22 ILE 17 2HG2 ILE 17 -3.697 2.018 2.856 153 HG23 ILE 17 3HG2 ILE 17 -4.084 0.298 2.889 154 HD11 ILE 17 1HD1 ILE 17 -7.525 2.641 2.319 155 HD12 ILE 17 2HD1 ILE 17 -6.995 4.305 2.068 156 HD13 ILE 17 3HD1 ILE 17 -6.170 3.287 3.247 157 H SER 18 H SER 18 -4.505 -1.490 0.481 158 HA SER 18 HA SER 18 -2.217 -2.206 1.947 159 HB2 SER 18 2HB SER 18 -4.290 -3.625 1.533 160 HB3 SER 18 1HB SER 18 -3.644 -3.946 -0.082 161 HG SER 18 HG SER 18 -1.856 -4.933 0.865 162 H PHE 19 H PHE 19 -2.866 -1.954 -1.492 163 HA PHE 19 HA PHE 19 -0.514 -3.182 -2.427 164 HB2 PHE 19 2HB PHE 19 -2.625 -2.751 -3.739 165 HB3 PHE 19 1HB PHE 19 -2.135 -1.064 -3.848 166 HD1 PHE 19 HD1 PHE 19 -0.119 -0.443 -5.120 167 HD2 PHE 19 HD2 PHE 19 -1.632 -4.414 -5.061 168 HE1 PHE 19 HE1 PHE 19 1.200 -0.966 -7.134 169 HE2 PHE 19 HE2 PHE 19 -0.314 -4.952 -7.076 170 HZ PHE 19 HZ PHE 19 1.105 -3.228 -8.112 171 H LEU 20 H LEU 20 -1.369 0.287 -2.368 172 HA LEU 20 HA LEU 20 1.263 1.129 -2.971 173 HB2 LEU 20 2HB LEU 20 -1.180 2.515 -1.954 174 HB3 LEU 20 1HB LEU 20 0.350 3.367 -2.013 175 HG LEU 20 HG LEU 20 0.450 2.815 -4.467 176 HD11 LEU 20 1HD1 LEU 20 -1.138 0.943 -4.399 177 HD12 LEU 20 2HD1 LEU 20 -1.564 2.160 -5.604 178 HD13 LEU 20 3HD1 LEU 20 -2.440 2.087 -4.074 179 HD21 LEU 20 1HD2 LEU 20 -1.152 4.570 -5.100 180 HD22 LEU 20 2HD2 LEU 20 -0.179 5.021 -3.700 181 HD23 LEU 20 3HD2 LEU 20 -1.847 4.497 -3.482 182 H GLY 21 H GLY 21 -0.368 0.384 0.018 183 HA2 GLY 21 2HA GLY 21 1.493 1.524 1.805 184 HA3 GLY 21 1HA GLY 21 0.467 0.136 2.144 185 H CYS 22 H CYS 22 1.486 -1.452 -0.026 186 HA CYS 22 HA CYS 22 3.847 -2.521 1.181 187 HB2 CYS 22 2HB CYS 22 2.127 -3.937 0.090 188 HB3 CYS 22 1HB CYS 22 2.540 -3.217 -1.463 189 HG CYS 22 HG CYS 22 3.601 -5.949 -0.608 190 H LYS 23 H LYS 23 3.157 -0.300 -1.419 191 HA LYS 23 HA LYS 23 5.864 -0.377 -2.426 192 HB2 LYS 23 2HB LYS 23 3.637 1.600 -2.937 193 HB3 LYS 23 1HB LYS 23 5.187 1.601 -3.761 194 HG2 LYS 23 2HG LYS 23 4.678 -0.646 -4.650 195 HG3 LYS 23 1HG LYS 23 3.088 -0.555 -3.888 196 HD2 LYS 23 2HD LYS 23 2.896 0.057 -6.217 197 HD3 LYS 23 1HD LYS 23 2.612 1.480 -5.215 198 HE2 LYS 23 2HE LYS 23 4.934 2.194 -5.601 199 HE3 LYS 23 1HE LYS 23 5.185 0.783 -6.628 200 HZ1 LYS 23 1HZ LYS 23 3.493 1.620 -8.129 201 HZ2 LYS 23 2HZ LYS 23 4.718 2.765 -7.924 202 HZ3 LYS 23 3HZ LYS 23 3.237 2.964 -7.140 203 H VAL 24 H VAL 24 3.996 1.508 -0.175 204 HA VAL 24 HA VAL 24 6.190 3.309 0.302 205 HB VAL 24 HB VAL 24 3.527 3.014 1.683 206 HG11 VAL 24 1HG1 VAL 24 3.928 5.045 2.839 207 HG12 VAL 24 2HG1 VAL 24 5.447 5.290 1.984 208 HG13 VAL 24 3HG1 VAL 24 5.300 3.981 3.153 209 HG21 VAL 24 1HG2 VAL 24 3.034 5.127 0.490 210 HG22 VAL 24 2HG2 VAL 24 3.328 3.763 -0.587 211 HG23 VAL 24 3HG2 VAL 24 4.590 4.969 -0.331 212 H VAL 25 H VAL 25 5.961 0.206 0.917 213 HA VAL 25 HA VAL 25 7.400 0.343 3.448 214 HB VAL 25 HB VAL 25 5.932 -1.662 2.378 215 HG11 VAL 25 1HG1 VAL 25 7.479 -3.472 1.686 216 HG12 VAL 25 2HG1 VAL 25 8.786 -2.281 1.643 217 HG13 VAL 25 3HG1 VAL 25 7.410 -2.125 0.546 218 HG21 VAL 25 1HG2 VAL 25 8.288 -1.969 4.227 219 HG22 VAL 25 2HG2 VAL 25 6.989 -3.146 4.029 220 HG23 VAL 25 3HG2 VAL 25 6.635 -1.545 4.679 221 H VAL 26 H VAL 26 7.846 0.392 0.064 222 HA VAL 26 HA VAL 26 10.535 -0.540 -0.059 223 HB VAL 26 HB VAL 26 8.883 0.948 -2.082 224 HG11 VAL 26 1HG1 VAL 26 11.396 -0.689 -2.448 225 HG12 VAL 26 2HG1 VAL 26 11.270 1.065 -2.572 226 HG13 VAL 26 3HG1 VAL 26 10.442 0.037 -3.743 227 HG21 VAL 26 1HG2 VAL 26 7.818 -1.138 -1.442 228 HG22 VAL 26 2HG2 VAL 26 9.318 -2.022 -1.728 229 HG23 VAL 26 3HG2 VAL 26 8.466 -1.268 -3.076 230 H LEU 27 H LEU 27 8.957 2.539 -0.501 231 HA LEU 27 HA LEU 27 11.241 4.025 -0.971 232 HB2 LEU 27 2HB LEU 27 9.919 5.947 -0.862 233 HB3 LEU 27 1HB LEU 27 8.885 4.680 -1.470 234 HG LEU 27 HG LEU 27 8.664 6.283 0.989 235 HD11 LEU 27 1HD1 LEU 27 6.713 4.889 -0.823 236 HD12 LEU 27 2HD1 LEU 27 7.200 6.584 -0.921 237 HD13 LEU 27 3HD1 LEU 27 6.292 6.002 0.477 238 HD21 LEU 27 1HD2 LEU 27 8.949 4.252 2.125 239 HD22 LEU 27 2HD2 LEU 27 8.033 3.353 0.916 240 HD23 LEU 27 3HD2 LEU 27 7.204 4.480 1.996 241 H LEU 28 H LEU 28 10.087 2.716 1.956 242 HA LEU 28 HA LEU 28 11.517 4.417 3.757 243 HB2 LEU 28 2HB LEU 28 10.675 1.536 4.100 244 HB3 LEU 28 1HB LEU 28 11.193 2.612 5.381 245 HG LEU 28 HG LEU 28 8.693 2.955 3.726 246 HD11 LEU 28 1HD1 LEU 28 7.515 2.293 5.737 247 HD12 LEU 28 2HD1 LEU 28 9.043 2.056 6.581 248 HD13 LEU 28 3HD1 LEU 28 8.614 1.016 5.223 249 HD21 LEU 28 1HD2 LEU 28 9.699 4.463 6.141 250 HD22 LEU 28 2HD2 LEU 28 8.124 4.678 5.377 251 HD23 LEU 28 3HD2 LEU 28 9.595 5.087 4.495 252 H LYS 29 H LYS 29 12.165 1.348 2.142 253 HA LYS 29 HA LYS 29 14.717 0.902 3.301 254 HB2 LYS 29 2HB LYS 29 13.831 -0.096 0.597 255 HB3 LYS 29 1HB LYS 29 14.972 -0.845 1.700 256 HG2 LYS 29 2HG LYS 29 12.004 -0.596 2.139 257 HG3 LYS 29 1HG LYS 29 12.859 -2.049 1.627 258 HD2 LYS 29 2HD LYS 29 14.109 -2.038 3.743 259 HD3 LYS 29 1HD LYS 29 13.214 -0.602 4.251 260 HE2 LYS 29 2HE LYS 29 11.121 -1.853 4.121 261 HE3 LYS 29 1HE LYS 29 12.000 -3.286 3.592 262 HZ1 LYS 29 1HZ LYS 29 13.162 -3.308 5.709 263 HZ2 LYS 29 2HZ LYS 29 11.490 -3.379 5.947 264 HZ3 LYS 29 3HZ LYS 29 12.319 -1.931 6.212 265 H ARG 30 H ARG 30 13.575 2.455 0.361 266 HA ARG 30 HA ARG 30 16.228 3.672 0.010 267 HB2 ARG 30 2HB ARG 30 14.559 2.293 -2.086 268 HB3 ARG 30 1HB ARG 30 15.754 3.508 -2.513 269 HG2 ARG 30 2HG ARG 30 17.517 2.171 -1.554 270 HG3 ARG 30 1HG ARG 30 16.344 0.977 -0.993 271 HD2 ARG 30 2HD ARG 30 16.770 1.718 -3.885 272 HD3 ARG 30 1HD ARG 30 17.539 0.343 -3.092 273 HE ARG 30 HE ARG 30 14.843 0.054 -2.630 274 HH11 ARG 30 1HH1 ARG 30 16.895 0.251 -5.463 275 HH12 ARG 30 2HH1 ARG 30 15.870 -0.757 -6.429 276 HH21 ARG 30 1HH2 ARG 30 13.498 -1.274 -3.891 277 HH22 ARG 30 2HH2 ARG 30 13.927 -1.620 -5.536 Start of MODEL 4 1 H1 MET 1 1H MET 1 -19.427 1.527 12.453 2 H2 MET 1 2H MET 1 -20.038 0.807 11.054 3 H3 MET 1 3H MET 1 -18.749 0.092 11.875 4 HA MET 1 HA MET 1 -20.763 -1.105 12.297 5 HB2 MET 1 2HB MET 1 -20.749 -1.029 14.762 6 HB3 MET 1 1HB MET 1 -19.127 -1.061 14.088 7 HG2 MET 1 2HG MET 1 -18.833 1.274 14.526 8 HG3 MET 1 1HG MET 1 -20.517 1.441 15.012 9 HE1 MET 1 1HE MET 1 -17.839 2.346 16.699 10 HE2 MET 1 2HE MET 1 -18.385 1.936 18.326 11 HE3 MET 1 3HE MET 1 -19.493 2.710 17.197 12 H ALA 2 H ALA 2 -21.059 2.334 12.759 13 HA ALA 2 HA ALA 2 -23.959 1.975 13.131 14 HB1 ALA 2 1HB ALA 2 -23.988 4.049 14.416 15 HB2 ALA 2 2HB ALA 2 -22.240 4.197 14.228 16 HB3 ALA 2 3HB ALA 2 -22.918 2.858 15.155 17 H THR 3 H THR 3 -22.123 2.398 10.747 18 HA THR 3 HA THR 3 -22.871 4.996 9.746 19 HB THR 3 HB THR 3 -21.560 2.725 8.246 20 HG1 THR 3 HG1 THR 3 -20.127 4.870 9.382 21 HG21 THR 3 1HG2 THR 3 -20.652 4.544 6.858 22 HG22 THR 3 2HG2 THR 3 -21.567 5.714 7.806 23 HG23 THR 3 3HG2 THR 3 -22.414 4.518 6.824 24 H LYS 4 H LYS 4 -24.575 5.433 8.454 25 HA LYS 4 HA LYS 4 -26.510 3.386 7.921 26 HB2 LYS 4 2HB LYS 4 -26.408 6.270 7.014 27 HB3 LYS 4 1HB LYS 4 -27.791 5.200 6.835 28 HG2 LYS 4 2HG LYS 4 -28.000 5.031 9.250 29 HG3 LYS 4 1HG LYS 4 -26.580 6.048 9.456 30 HD2 LYS 4 2HD LYS 4 -28.523 7.408 9.777 31 HD3 LYS 4 1HD LYS 4 -27.778 7.864 8.243 32 HE2 LYS 4 2HE LYS 4 -29.403 6.518 7.038 33 HE3 LYS 4 1HE LYS 4 -30.124 5.999 8.559 34 HZ1 LYS 4 1HZ LYS 4 -30.025 8.804 7.583 35 HZ2 LYS 4 2HZ LYS 4 -30.759 8.275 9.011 36 HZ3 LYS 4 3HZ LYS 4 -31.379 7.792 7.514 37 H HIS 5 H HIS 5 -25.004 2.035 6.676 38 HA HIS 5 HA HIS 5 -24.289 1.100 4.739 39 HB2 HIS 5 2HB HIS 5 -26.663 1.364 4.113 40 HB3 HIS 5 1HB HIS 5 -26.314 2.966 3.478 41 HD1 HIS 5 HD1 HIS 5 -25.505 -0.668 2.795 42 HD2 HIS 5 HD2 HIS 5 -25.501 3.011 0.866 43 HE1 HIS 5 HE1 HIS 5 -25.020 -1.174 0.379 44 HE2 HIS 5 HE2 HIS 5 -24.877 1.079 -0.738 45 H GLY 6 H GLY 6 -22.244 2.214 5.221 46 HA2 GLY 6 2HA GLY 6 -21.383 3.720 2.913 47 HA3 GLY 6 1HA GLY 6 -21.374 4.645 4.406 48 H LYS 7 H LYS 7 -20.763 1.349 4.922 49 HA LYS 7 HA LYS 7 -17.867 1.852 4.902 50 HB2 LYS 7 2HB LYS 7 -19.520 0.424 6.978 51 HB3 LYS 7 1HB LYS 7 -17.778 0.255 6.872 52 HG2 LYS 7 2HG LYS 7 -19.293 2.795 7.389 53 HG3 LYS 7 1HG LYS 7 -18.378 1.871 8.571 54 HD2 LYS 7 2HD LYS 7 -17.275 3.287 6.145 55 HD3 LYS 7 1HD LYS 7 -17.122 3.813 7.821 56 HE2 LYS 7 2HE LYS 7 -16.065 1.213 6.751 57 HE3 LYS 7 1HE LYS 7 -15.103 2.678 6.911 58 HZ1 LYS 7 1HZ LYS 7 -16.414 1.190 9.120 59 HZ2 LYS 7 2HZ LYS 7 -15.558 2.636 9.304 60 HZ3 LYS 7 3HZ LYS 7 -14.755 1.240 8.793 61 H ASN 8 H ASN 8 -18.447 0.874 2.671 62 HA ASN 8 HA ASN 8 -17.763 -1.967 2.882 63 HB2 ASN 8 2HB ASN 8 -20.182 -1.878 2.475 64 HB3 ASN 8 1HB ASN 8 -19.910 -0.880 1.052 65 HD21 ASN 8 1HD2 ASN 8 -20.090 -3.821 -0.776 66 HD22 ASN 8 2HD2 ASN 8 -20.812 -2.303 -0.367 67 H SER 9 H SER 9 -18.158 0.785 0.681 68 HA SER 9 HA SER 9 -16.593 -0.359 -1.380 69 HB2 SER 9 2HB SER 9 -18.401 1.364 -1.691 70 HB3 SER 9 1HB SER 9 -17.285 2.558 -1.035 71 HG SER 9 HG SER 9 -16.974 1.014 -3.396 72 H TRP 10 H TRP 10 -15.676 1.145 1.508 73 HA TRP 10 HA TRP 10 -13.295 2.386 0.687 74 HB2 TRP 10 2HB TRP 10 -12.467 1.978 2.981 75 HB3 TRP 10 1HB TRP 10 -14.012 2.743 2.961 76 HD1 TRP 10 HD1 TRP 10 -16.153 1.140 3.662 77 HE1 TRP 10 HE1 TRP 10 -16.140 -0.886 5.294 78 HE3 TRP 10 HE3 TRP 10 -11.254 0.147 3.493 79 HZ2 TRP 10 HZ2 TRP 10 -14.165 -2.666 6.352 80 HZ3 TRP 10 HZ3 TRP 10 -10.334 -1.656 4.805 81 HH2 TRP 10 HH2 TRP 10 -11.747 -3.075 6.202 82 H LYS 11 H LYS 11 -14.071 -0.990 1.255 83 HA LYS 11 HA LYS 11 -11.471 -1.937 1.672 84 HB2 LYS 11 2HB LYS 11 -13.996 -3.127 0.638 85 HB3 LYS 11 1HB LYS 11 -12.495 -4.007 0.487 86 HG2 LYS 11 2HG LYS 11 -12.162 -4.023 2.846 87 HG3 LYS 11 1HG LYS 11 -13.518 -2.922 3.083 88 HD2 LYS 11 2HD LYS 11 -13.822 -5.653 1.858 89 HD3 LYS 11 1HD LYS 11 -13.953 -5.356 3.592 90 HE2 LYS 11 2HE LYS 11 -15.758 -3.736 3.144 91 HE3 LYS 11 1HE LYS 11 -15.660 -4.134 1.431 92 HZ1 LYS 11 1HZ LYS 11 -16.327 -6.365 1.897 93 HZ2 LYS 11 2HZ LYS 11 -17.439 -5.323 2.630 94 HZ3 LYS 11 3HZ LYS 11 -16.266 -6.101 3.567 95 H THR 12 H THR 12 -13.217 -1.184 -1.209 96 HA THR 12 HA THR 12 -11.377 -2.101 -3.133 97 HB THR 12 HB THR 12 -13.723 -0.335 -2.950 98 HG1 THR 12 HG1 THR 12 -13.884 -1.767 -5.085 99 HG21 THR 12 1HG2 THR 12 -13.567 0.479 -5.233 100 HG22 THR 12 2HG2 THR 12 -11.965 -0.241 -5.404 101 HG23 THR 12 3HG2 THR 12 -12.222 1.089 -4.272 102 H LEU 13 H LEU 13 -11.769 0.939 -1.394 103 HA LEU 13 HA LEU 13 -9.536 2.325 -2.497 104 HB2 LEU 13 2HB LEU 13 -10.691 3.898 -1.340 105 HB3 LEU 13 1HB LEU 13 -11.528 2.678 -0.401 106 HG LEU 13 HG LEU 13 -8.838 2.953 0.561 107 HD11 LEU 13 1HD1 LEU 13 -8.968 5.242 1.403 108 HD12 LEU 13 2HD1 LEU 13 -10.454 5.494 0.487 109 HD13 LEU 13 3HD1 LEU 13 -8.935 5.204 -0.359 110 HD21 LEU 13 1HD2 LEU 13 -11.528 3.543 1.813 111 HD22 LEU 13 2HD2 LEU 13 -10.003 3.402 2.687 112 HD23 LEU 13 3HD2 LEU 13 -10.678 1.997 1.859 113 H TYR 14 H TYR 14 -10.011 -0.015 -0.022 114 HA TYR 14 HA TYR 14 -7.763 0.683 1.548 115 HB2 TYR 14 2HB TYR 14 -9.849 -0.323 2.427 116 HB3 TYR 14 1HB TYR 14 -9.414 -1.837 1.637 117 HD1 TYR 14 HD1 TYR 14 -7.601 -3.166 2.428 118 HD2 TYR 14 HD2 TYR 14 -8.652 0.478 4.335 119 HE1 TYR 14 HE1 TYR 14 -6.134 -3.760 4.275 120 HE2 TYR 14 HE2 TYR 14 -7.167 -0.088 6.223 121 HH TYR 14 HH TYR 14 -6.207 -2.154 7.265 122 H LEU 15 H LEU 15 -8.410 -1.874 -0.793 123 HA LEU 15 HA LEU 15 -5.882 -3.120 -0.251 124 HB2 LEU 15 2HB LEU 15 -7.683 -3.684 -2.590 125 HB3 LEU 15 1HB LEU 15 -6.486 -4.729 -1.844 126 HG LEU 15 HG LEU 15 -8.918 -3.809 -0.362 127 HD11 LEU 15 1HD1 LEU 15 -9.923 -5.975 -0.898 128 HD12 LEU 15 2HD1 LEU 15 -8.567 -6.336 -1.966 129 HD13 LEU 15 3HD1 LEU 15 -9.659 -5.007 -2.348 130 HD21 LEU 15 1HD2 LEU 15 -7.036 -6.128 0.042 131 HD22 LEU 15 2HD2 LEU 15 -8.416 -5.716 1.061 132 HD23 LEU 15 3HD2 LEU 15 -7.033 -4.626 0.966 133 H LYS 16 H LYS 16 -7.032 -0.557 -2.059 134 HA LYS 16 HA LYS 16 -4.824 -0.349 -3.876 135 HB2 LYS 16 2HB LYS 16 -6.841 0.798 -4.479 136 HB3 LYS 16 1HB LYS 16 -6.990 1.512 -2.888 137 HG2 LYS 16 2HG LYS 16 -4.660 2.224 -4.604 138 HG3 LYS 16 1HG LYS 16 -6.239 2.959 -4.901 139 HD2 LYS 16 2HD LYS 16 -6.299 3.618 -2.498 140 HD3 LYS 16 1HD LYS 16 -4.647 3.024 -2.343 141 HE2 LYS 16 2HE LYS 16 -4.643 5.432 -2.667 142 HE3 LYS 16 1HE LYS 16 -3.921 4.627 -4.060 143 HZ1 LYS 16 1HZ LYS 16 -5.992 4.892 -5.255 144 HZ2 LYS 16 2HZ LYS 16 -5.436 6.395 -4.721 145 HZ3 LYS 16 3HZ LYS 16 -6.710 5.632 -3.917 146 H ILE 17 H ILE 17 -5.766 0.816 -0.707 147 HA ILE 17 HA ILE 17 -3.543 2.370 -0.082 148 HB ILE 17 HB ILE 17 -5.647 0.941 1.487 149 HG12 ILE 17 2HG1 ILE 17 -4.878 3.850 1.241 150 HG13 ILE 17 1HG1 ILE 17 -6.183 3.057 0.369 151 HG21 ILE 17 1HG2 ILE 17 -4.800 1.753 3.584 152 HG22 ILE 17 2HG2 ILE 17 -3.404 2.474 2.772 153 HG23 ILE 17 3HG2 ILE 17 -3.599 0.720 2.805 154 HD11 ILE 17 1HD1 ILE 17 -7.026 4.349 2.236 155 HD12 ILE 17 2HD1 ILE 17 -6.019 3.426 3.349 156 HD13 ILE 17 3HD1 ILE 17 -7.328 2.630 2.479 157 H SER 18 H SER 18 -4.296 -1.019 0.585 158 HA SER 18 HA SER 18 -1.925 -1.724 1.898 159 HB2 SER 18 2HB SER 18 -4.110 -3.077 1.611 160 HB3 SER 18 1HB SER 18 -3.426 -3.583 0.057 161 HG SER 18 HG SER 18 -2.335 -5.000 1.132 162 H PHE 19 H PHE 19 -2.786 -1.542 -1.473 163 HA PHE 19 HA PHE 19 -0.583 -2.916 -2.546 164 HB2 PHE 19 2HB PHE 19 -2.696 -2.463 -3.756 165 HB3 PHE 19 1HB PHE 19 -2.274 -0.754 -3.813 166 HD1 PHE 19 HD1 PHE 19 -0.834 0.088 -5.457 167 HD2 PHE 19 HD2 PHE 19 -1.255 -4.106 -4.899 168 HE1 PHE 19 HE1 PHE 19 0.415 -0.306 -7.551 169 HE2 PHE 19 HE2 PHE 19 -0.009 -4.515 -6.993 170 HZ PHE 19 HZ PHE 19 0.828 -2.613 -8.317 171 H LEU 20 H LEU 20 -1.251 0.582 -2.442 172 HA LEU 20 HA LEU 20 1.330 1.305 -3.346 173 HB2 LEU 20 2HB LEU 20 -0.754 2.907 -1.875 174 HB3 LEU 20 1HB LEU 20 0.703 3.588 -2.571 175 HG LEU 20 HG LEU 20 -1.608 2.333 -4.036 176 HD11 LEU 20 1HD1 LEU 20 -1.939 4.640 -3.309 177 HD12 LEU 20 2HD1 LEU 20 -1.796 4.535 -5.064 178 HD13 LEU 20 3HD1 LEU 20 -0.435 5.109 -4.101 179 HD21 LEU 20 1HD2 LEU 20 -0.358 2.798 -6.087 180 HD22 LEU 20 2HD2 LEU 20 0.462 1.617 -5.067 181 HD23 LEU 20 3HD2 LEU 20 1.036 3.281 -5.121 182 H GLY 21 H GLY 21 -0.100 0.898 -0.183 183 HA2 GLY 21 2HA GLY 21 2.003 1.927 1.372 184 HA3 GLY 21 1HA GLY 21 0.852 0.706 1.899 185 H CYS 22 H CYS 22 1.545 -1.234 -0.096 186 HA CYS 22 HA CYS 22 3.772 -2.473 1.148 187 HB2 CYS 22 2HB CYS 22 1.935 -3.766 0.172 188 HB3 CYS 22 1HB CYS 22 2.345 -3.168 -1.431 189 HG CYS 22 HG CYS 22 5.103 -4.396 -0.593 190 H LYS 23 H LYS 23 3.439 -0.329 -1.550 191 HA LYS 23 HA LYS 23 6.126 -0.927 -2.495 192 HB2 LYS 23 2HB LYS 23 4.323 -0.506 -4.140 193 HB3 LYS 23 1HB LYS 23 4.147 1.121 -3.501 194 HG2 LYS 23 2HG LYS 23 6.206 1.810 -4.359 195 HG3 LYS 23 1HG LYS 23 6.766 0.154 -4.586 196 HD2 LYS 23 2HD LYS 23 6.195 1.175 -6.725 197 HD3 LYS 23 1HD LYS 23 5.113 -0.167 -6.359 198 HE2 LYS 23 2HE LYS 23 3.824 1.646 -7.254 199 HE3 LYS 23 1HE LYS 23 3.439 1.467 -5.543 200 HZ1 LYS 23 1HZ LYS 23 5.291 3.483 -6.693 201 HZ2 LYS 23 2HZ LYS 23 4.905 3.325 -5.057 202 HZ3 LYS 23 3HZ LYS 23 3.714 3.785 -6.165 203 H VAL 24 H VAL 24 4.364 1.538 -0.767 204 HA VAL 24 HA VAL 24 6.760 3.152 -0.526 205 HB VAL 24 HB VAL 24 3.962 3.586 0.500 206 HG11 VAL 24 1HG1 VAL 24 4.572 5.812 1.090 207 HG12 VAL 24 2HG1 VAL 24 6.199 5.567 0.468 208 HG13 VAL 24 3HG1 VAL 24 5.674 4.701 1.905 209 HG21 VAL 24 1HG2 VAL 24 5.505 4.741 -1.798 210 HG22 VAL 24 2HG2 VAL 24 3.926 5.326 -1.260 211 HG23 VAL 24 3HG2 VAL 24 4.092 3.686 -1.889 212 H VAL 25 H VAL 25 5.913 0.389 0.841 213 HA VAL 25 HA VAL 25 7.157 1.029 3.398 214 HB VAL 25 HB VAL 25 5.416 -0.872 2.954 215 HG11 VAL 25 1HG1 VAL 25 6.427 -3.053 2.471 216 HG12 VAL 25 2HG1 VAL 25 7.966 -2.253 2.137 217 HG13 VAL 25 3HG1 VAL 25 6.566 -1.938 1.110 218 HG21 VAL 25 1HG2 VAL 25 7.899 -1.375 4.580 219 HG22 VAL 25 2HG2 VAL 25 6.355 -2.204 4.772 220 HG23 VAL 25 3HG2 VAL 25 6.473 -0.476 5.099 221 H VAL 26 H VAL 26 7.859 0.158 0.202 222 HA VAL 26 HA VAL 26 10.356 -1.143 0.604 223 HB VAL 26 HB VAL 26 9.057 -0.032 -1.867 224 HG11 VAL 26 1HG1 VAL 26 10.651 -1.379 -3.143 225 HG12 VAL 26 2HG1 VAL 26 11.432 -1.889 -1.648 226 HG13 VAL 26 3HG1 VAL 26 11.492 -0.196 -2.138 227 HG21 VAL 26 1HG2 VAL 26 9.234 -2.848 -0.796 228 HG22 VAL 26 2HG2 VAL 26 8.538 -2.392 -2.351 229 HG23 VAL 26 3HG2 VAL 26 7.792 -1.835 -0.852 230 H LEU 27 H LEU 27 9.376 1.928 -0.757 231 HA LEU 27 HA LEU 27 11.921 2.897 -1.212 232 HB2 LEU 27 2HB LEU 27 10.981 4.994 -1.658 233 HB3 LEU 27 1HB LEU 27 9.802 3.802 -2.152 234 HG LEU 27 HG LEU 27 9.604 5.923 -0.125 235 HD11 LEU 27 1HD1 LEU 27 7.570 4.441 -1.769 236 HD12 LEU 27 2HD1 LEU 27 8.434 5.888 -2.298 237 HD13 LEU 27 3HD1 LEU 27 7.337 5.968 -0.919 238 HD21 LEU 27 1HD2 LEU 27 7.771 4.636 1.029 239 HD22 LEU 27 2HD2 LEU 27 9.427 4.178 1.427 240 HD23 LEU 27 3HD2 LEU 27 8.482 3.179 0.325 241 H LEU 28 H LEU 28 10.292 2.469 1.738 242 HA LEU 28 HA LEU 28 11.924 4.294 3.264 243 HB2 LEU 28 2HB LEU 28 10.165 2.020 4.186 244 HB3 LEU 28 1HB LEU 28 10.898 3.224 5.224 245 HG LEU 28 HG LEU 28 8.775 3.729 3.145 246 HD11 LEU 28 1HD1 LEU 28 7.932 2.581 5.112 247 HD12 LEU 28 2HD1 LEU 28 7.360 4.249 5.067 248 HD13 LEU 28 3HD1 LEU 28 8.673 3.796 6.154 249 HD21 LEU 28 1HD2 LEU 28 10.279 5.634 3.306 250 HD22 LEU 28 2HD2 LEU 28 10.117 5.632 5.062 251 HD23 LEU 28 3HD2 LEU 28 8.726 6.014 4.050 252 H LYS 29 H LYS 29 11.621 0.700 3.290 253 HA LYS 29 HA LYS 29 14.482 0.578 3.824 254 HB2 LYS 29 2HB LYS 29 14.362 -0.692 5.807 255 HB3 LYS 29 1HB LYS 29 13.271 0.666 6.034 256 HG2 LYS 29 2HG LYS 29 12.425 -2.119 5.249 257 HG3 LYS 29 1HG LYS 29 12.364 -1.458 6.885 258 HD2 LYS 29 2HD LYS 29 11.018 -0.112 4.584 259 HD3 LYS 29 1HD LYS 29 10.217 -1.408 5.482 260 HE2 LYS 29 2HE LYS 29 11.264 1.181 6.632 261 HE3 LYS 29 1HE LYS 29 9.573 0.803 6.314 262 HZ1 LYS 29 1HZ LYS 29 9.990 0.452 8.610 263 HZ2 LYS 29 2HZ LYS 29 11.354 -0.493 8.298 264 HZ3 LYS 29 3HZ LYS 29 9.817 -1.075 7.903 265 H ARG 30 H ARG 30 12.402 -0.312 1.764 266 HA ARG 30 HA ARG 30 11.960 -2.053 0.388 267 HB2 ARG 30 2HB ARG 30 14.769 -2.675 1.237 268 HB3 ARG 30 1HB ARG 30 13.930 -3.612 0.008 269 HG2 ARG 30 2HG ARG 30 13.677 -1.604 -1.353 270 HG3 ARG 30 1HG ARG 30 14.493 -0.654 -0.110 271 HD2 ARG 30 2HD ARG 30 15.688 -2.951 -1.658 272 HD3 ARG 30 1HD ARG 30 16.013 -1.241 -1.933 273 HE ARG 30 HE ARG 30 16.571 -1.884 0.749 274 HH11 ARG 30 1HH1 ARG 30 17.827 -2.445 -2.467 275 HH12 ARG 30 2HH1 ARG 30 19.470 -2.596 -1.940 276 HH21 ARG 30 1HH2 ARG 30 18.720 -2.100 1.455 277 HH22 ARG 30 2HH2 ARG 30 19.982 -2.392 0.301 Start of MODEL 5 1 H1 MET 1 1H MET 1 -26.742 -7.597 7.762 2 H2 MET 1 2H MET 1 -25.992 -8.012 6.308 3 H3 MET 1 3H MET 1 -26.869 -9.174 7.166 4 HA MET 1 HA MET 1 -28.099 -8.381 5.254 5 HB2 MET 1 2HB MET 1 -29.169 -7.625 7.973 6 HB3 MET 1 1HB MET 1 -30.154 -7.615 6.521 7 HG2 MET 1 2HG MET 1 -28.762 -10.001 7.710 8 HG3 MET 1 1HG MET 1 -30.487 -9.654 7.780 9 HE1 MET 1 1HE MET 1 -31.032 -12.083 6.804 10 HE2 MET 1 2HE MET 1 -29.302 -12.422 6.773 11 HE3 MET 1 3HE MET 1 -30.288 -12.725 5.341 12 H ALA 2 H ALA 2 -29.796 -6.435 4.898 13 HA ALA 2 HA ALA 2 -29.995 -4.337 4.047 14 HB1 ALA 2 1HB ALA 2 -29.377 -2.492 5.506 15 HB2 ALA 2 2HB ALA 2 -28.375 -3.572 6.476 16 HB3 ALA 2 3HB ALA 2 -30.125 -3.792 6.434 17 H THR 3 H THR 3 -28.012 -5.811 2.857 18 HA THR 3 HA THR 3 -26.186 -5.701 1.509 19 HB THR 3 HB THR 3 -26.341 -2.707 1.673 20 HG1 THR 3 HG1 THR 3 -28.348 -4.356 1.024 21 HG21 THR 3 1HG2 THR 3 -25.666 -2.843 -0.672 22 HG22 THR 3 2HG2 THR 3 -25.721 -4.603 -0.593 23 HG23 THR 3 3HG2 THR 3 -24.526 -3.716 0.351 24 H LYS 4 H LYS 4 -25.594 -6.107 4.091 25 HA LYS 4 HA LYS 4 -23.922 -6.136 5.623 26 HB2 LYS 4 2HB LYS 4 -22.345 -4.910 3.355 27 HB3 LYS 4 1HB LYS 4 -21.639 -5.545 4.835 28 HG2 LYS 4 2HG LYS 4 -22.487 -7.765 4.301 29 HG3 LYS 4 1HG LYS 4 -23.219 -7.135 2.825 30 HD2 LYS 4 2HD LYS 4 -20.272 -7.141 3.469 31 HD3 LYS 4 1HD LYS 4 -21.088 -8.260 2.377 32 HE2 LYS 4 2HE LYS 4 -21.764 -6.343 0.975 33 HE3 LYS 4 1HE LYS 4 -20.860 -5.271 2.042 34 HZ1 LYS 4 1HZ LYS 4 -19.550 -5.815 0.121 35 HZ2 LYS 4 2HZ LYS 4 -19.738 -7.470 0.396 36 HZ3 LYS 4 3HZ LYS 4 -18.847 -6.528 1.483 37 H HIS 5 H HIS 5 -25.685 -3.833 5.447 38 HA HIS 5 HA HIS 5 -26.056 -1.936 6.629 39 HB2 HIS 5 2HB HIS 5 -24.657 -3.064 8.382 40 HB3 HIS 5 1HB HIS 5 -23.251 -2.235 7.726 41 HD1 HIS 5 HD1 HIS 5 -22.681 -0.185 8.977 42 HD2 HIS 5 HD2 HIS 5 -26.751 -0.998 9.114 43 HE1 HIS 5 HE1 HIS 5 -23.679 1.608 10.429 44 HE2 HIS 5 HE2 HIS 5 -26.164 1.217 10.300 45 H GLY 6 H GLY 6 -24.090 -2.204 4.108 46 HA2 GLY 6 2HA GLY 6 -23.460 -0.623 2.541 47 HA3 GLY 6 1HA GLY 6 -23.989 0.639 3.650 48 H LYS 7 H LYS 7 -21.995 1.736 2.980 49 HA LYS 7 HA LYS 7 -19.849 2.398 3.297 50 HB2 LYS 7 2HB LYS 7 -20.981 2.127 5.687 51 HB3 LYS 7 1HB LYS 7 -19.747 0.894 5.867 52 HG2 LYS 7 2HG LYS 7 -19.009 3.645 4.962 53 HG3 LYS 7 1HG LYS 7 -19.301 3.313 6.664 54 HD2 LYS 7 2HD LYS 7 -17.310 1.847 4.938 55 HD3 LYS 7 1HD LYS 7 -16.910 3.175 6.026 56 HE2 LYS 7 2HE LYS 7 -17.774 1.845 7.916 57 HE3 LYS 7 1HE LYS 7 -18.084 0.509 6.812 58 HZ1 LYS 7 1HZ LYS 7 -15.721 0.415 6.318 59 HZ2 LYS 7 2HZ LYS 7 -15.995 0.220 7.975 60 HZ3 LYS 7 3HZ LYS 7 -15.424 1.697 7.383 61 H ASN 8 H ASN 8 -19.728 0.535 1.544 62 HA ASN 8 HA ASN 8 -17.728 -1.432 2.457 63 HB2 ASN 8 2HB ASN 8 -19.756 -1.726 0.231 64 HB3 ASN 8 1HB ASN 8 -18.530 -2.914 0.649 65 HD21 ASN 8 1HD2 ASN 8 -20.316 -3.283 3.945 66 HD22 ASN 8 2HD2 ASN 8 -18.796 -2.588 3.506 67 H SER 9 H SER 9 -18.157 1.308 0.647 68 HA SER 9 HA SER 9 -16.797 0.699 -1.749 69 HB2 SER 9 2HB SER 9 -17.064 3.385 -0.385 70 HB3 SER 9 1HB SER 9 -16.686 3.110 -2.085 71 HG SER 9 HG SER 9 -18.740 2.234 -2.368 72 H TRP 10 H TRP 10 -15.719 1.592 1.419 73 HA TRP 10 HA TRP 10 -13.191 2.587 0.781 74 HB2 TRP 10 2HB TRP 10 -12.548 2.049 3.071 75 HB3 TRP 10 1HB TRP 10 -14.105 2.800 3.046 76 HD1 TRP 10 HD1 TRP 10 -16.261 1.062 3.442 77 HE1 TRP 10 HE1 TRP 10 -16.287 -1.132 4.838 78 HE3 TRP 10 HE3 TRP 10 -11.327 0.289 3.581 79 HZ2 TRP 10 HZ2 TRP 10 -14.306 -2.954 5.844 80 HZ3 TRP 10 HZ3 TRP 10 -10.421 -1.619 4.747 81 HH2 TRP 10 HH2 TRP 10 -11.868 -3.239 5.859 82 H LYS 11 H LYS 11 -14.285 -0.746 1.061 83 HA LYS 11 HA LYS 11 -11.853 -1.950 1.750 84 HB2 LYS 11 2HB LYS 11 -13.964 -3.084 -0.084 85 HB3 LYS 11 1HB LYS 11 -12.780 -3.954 0.861 86 HG2 LYS 11 2HG LYS 11 -13.829 -3.231 2.921 87 HG3 LYS 11 1HG LYS 11 -14.994 -2.280 1.997 88 HD2 LYS 11 2HD LYS 11 -15.946 -4.411 2.728 89 HD3 LYS 11 1HD LYS 11 -15.854 -4.315 0.970 90 HE2 LYS 11 2HE LYS 11 -13.831 -5.638 0.980 91 HE3 LYS 11 1HE LYS 11 -13.853 -5.685 2.747 92 HZ1 LYS 11 1HZ LYS 11 -15.842 -6.913 0.912 93 HZ2 LYS 11 2HZ LYS 11 -16.008 -6.858 2.594 94 HZ3 LYS 11 3HZ LYS 11 -14.735 -7.728 1.900 95 H THR 12 H THR 12 -13.180 -1.136 -1.343 96 HA THR 12 HA THR 12 -11.150 -2.230 -2.973 97 HB THR 12 HB THR 12 -13.592 -0.726 -3.108 98 HG1 THR 12 HG1 THR 12 -12.498 -2.206 -5.255 99 HG21 THR 12 1HG2 THR 12 -13.252 0.320 -5.314 100 HG22 THR 12 2HG2 THR 12 -11.534 -0.074 -5.229 101 HG23 THR 12 3HG2 THR 12 -12.241 1.056 -4.073 102 H LEU 13 H LEU 13 -11.773 0.931 -1.571 103 HA LEU 13 HA LEU 13 -9.512 2.343 -2.500 104 HB2 LEU 13 2HB LEU 13 -10.862 3.825 -1.429 105 HB3 LEU 13 1HB LEU 13 -11.599 2.559 -0.465 106 HG LEU 13 HG LEU 13 -8.956 3.055 0.520 107 HD11 LEU 13 1HD1 LEU 13 -10.701 5.499 0.314 108 HD12 LEU 13 2HD1 LEU 13 -9.142 5.261 -0.474 109 HD13 LEU 13 3HD1 LEU 13 -9.235 5.367 1.284 110 HD21 LEU 13 1HD2 LEU 13 -10.805 2.053 1.806 111 HD22 LEU 13 2HD2 LEU 13 -11.650 3.605 1.764 112 HD23 LEU 13 3HD2 LEU 13 -10.114 3.463 2.616 113 H TYR 14 H TYR 14 -10.061 0.039 -0.014 114 HA TYR 14 HA TYR 14 -7.877 0.759 1.639 115 HB2 TYR 14 2HB TYR 14 -9.991 -0.195 2.459 116 HB3 TYR 14 1HB TYR 14 -9.598 -1.717 1.668 117 HD1 TYR 14 HD1 TYR 14 -8.709 0.587 4.357 118 HD2 TYR 14 HD2 TYR 14 -8.000 -3.186 2.556 119 HE1 TYR 14 HE1 TYR 14 -7.336 -0.074 6.292 120 HE2 TYR 14 HE2 TYR 14 -6.652 -3.888 4.464 121 HH TYR 14 HH TYR 14 -5.398 -2.922 6.304 122 H LEU 15 H LEU 15 -8.510 -1.924 -0.572 123 HA LEU 15 HA LEU 15 -6.028 -3.192 0.011 124 HB2 LEU 15 2HB LEU 15 -7.712 -3.635 -2.443 125 HB3 LEU 15 1HB LEU 15 -6.579 -4.736 -1.678 126 HG LEU 15 HG LEU 15 -9.067 -3.820 -0.290 127 HD11 LEU 15 1HD1 LEU 15 -8.688 -6.272 -1.999 128 HD12 LEU 15 2HD1 LEU 15 -9.742 -4.906 -2.355 129 HD13 LEU 15 3HD1 LEU 15 -10.082 -5.946 -0.971 130 HD21 LEU 15 1HD2 LEU 15 -7.287 -4.744 1.109 131 HD22 LEU 15 2HD2 LEU 15 -7.261 -6.198 0.112 132 HD23 LEU 15 3HD2 LEU 15 -8.692 -5.809 1.065 133 H LYS 16 H LYS 16 -7.049 -0.602 -1.883 134 HA LYS 16 HA LYS 16 -4.773 -0.462 -3.621 135 HB2 LYS 16 2HB LYS 16 -6.812 0.613 -4.328 136 HB3 LYS 16 1HB LYS 16 -6.969 1.445 -2.798 137 HG2 LYS 16 2HG LYS 16 -4.585 2.028 -4.460 138 HG3 LYS 16 1HG LYS 16 -6.149 2.691 -4.945 139 HD2 LYS 16 2HD LYS 16 -6.416 3.643 -2.697 140 HD3 LYS 16 1HD LYS 16 -4.825 3.019 -2.257 141 HE2 LYS 16 2HE LYS 16 -3.770 4.418 -3.922 142 HE3 LYS 16 1HE LYS 16 -5.337 4.957 -4.517 143 HZ1 LYS 16 1HZ LYS 16 -4.236 5.498 -1.814 144 HZ2 LYS 16 2HZ LYS 16 -5.741 6.016 -2.384 145 HZ3 LYS 16 3HZ LYS 16 -4.323 6.608 -3.085 146 H ILE 17 H ILE 17 -5.842 0.876 -0.546 147 HA ILE 17 HA ILE 17 -3.634 2.449 0.077 148 HB ILE 17 HB ILE 17 -5.807 1.116 1.617 149 HG12 ILE 17 2HG1 ILE 17 -4.886 3.987 1.426 150 HG13 ILE 17 1HG1 ILE 17 -6.176 3.263 0.471 151 HG21 ILE 17 1HG2 ILE 17 -3.564 2.558 3.000 152 HG22 ILE 17 2HG2 ILE 17 -3.789 0.811 2.989 153 HG23 ILE 17 3HG2 ILE 17 -5.002 1.847 3.742 154 HD11 ILE 17 1HD1 ILE 17 -7.055 4.586 2.311 155 HD12 ILE 17 2HD1 ILE 17 -6.172 3.587 3.464 156 HD13 ILE 17 3HD1 ILE 17 -7.468 2.882 2.500 157 H SER 18 H SER 18 -4.378 -0.925 0.766 158 HA SER 18 HA SER 18 -2.029 -1.595 2.160 159 HB2 SER 18 2HB SER 18 -3.647 -3.424 0.370 160 HB3 SER 18 1HB SER 18 -2.662 -3.886 1.761 161 HG SER 18 HG SER 18 -4.163 -2.439 2.981 162 H PHE 19 H PHE 19 -2.725 -1.202 -1.205 163 HA PHE 19 HA PHE 19 -0.539 -2.743 -2.200 164 HB2 PHE 19 2HB PHE 19 -2.683 -2.237 -3.436 165 HB3 PHE 19 1HB PHE 19 -2.088 -0.594 -3.652 166 HD1 PHE 19 HD1 PHE 19 -0.211 -0.135 -5.126 167 HD2 PHE 19 HD2 PHE 19 -1.742 -4.072 -4.613 168 HE1 PHE 19 HE1 PHE 19 1.000 -0.861 -7.146 169 HE2 PHE 19 HE2 PHE 19 -0.530 -4.811 -6.634 170 HZ PHE 19 HZ PHE 19 0.843 -3.204 -7.899 171 H LEU 20 H LEU 20 -1.193 0.768 -2.287 172 HA LEU 20 HA LEU 20 1.457 1.413 -3.034 173 HB2 LEU 20 2HB LEU 20 -0.853 3.002 -2.004 174 HB3 LEU 20 1HB LEU 20 0.719 3.750 -2.184 175 HG LEU 20 HG LEU 20 0.664 3.056 -4.604 176 HD11 LEU 20 1HD1 LEU 20 -2.252 2.566 -4.066 177 HD12 LEU 20 2HD1 LEU 20 -1.052 1.294 -4.274 178 HD13 LEU 20 3HD1 LEU 20 -1.397 2.401 -5.604 179 HD21 LEU 20 1HD2 LEU 20 -1.522 4.904 -3.656 180 HD22 LEU 20 2HD2 LEU 20 -0.820 4.873 -5.273 181 HD23 LEU 20 3HD2 LEU 20 0.172 5.338 -3.889 182 H GLY 21 H GLY 21 -0.107 0.949 0.053 183 HA2 GLY 21 2HA GLY 21 1.970 2.027 1.658 184 HA3 GLY 21 1HA GLY 21 0.789 0.828 2.170 185 H CYS 22 H CYS 22 1.607 -0.922 -0.102 186 HA CYS 22 HA CYS 22 3.828 -2.239 1.192 187 HB2 CYS 22 2HB CYS 22 1.914 -3.533 0.295 188 HB3 CYS 22 1HB CYS 22 2.318 -2.980 -1.326 189 HG CYS 22 HG CYS 22 5.033 -4.169 -0.837 190 H LYS 23 H LYS 23 3.304 -0.043 -1.399 191 HA LYS 23 HA LYS 23 5.891 -0.590 -2.594 192 HB2 LYS 23 2HB LYS 23 3.893 0.106 -3.956 193 HB3 LYS 23 1HB LYS 23 3.992 1.683 -3.186 194 HG2 LYS 23 2HG LYS 23 6.206 2.026 -4.136 195 HG3 LYS 23 1HG LYS 23 6.141 0.429 -4.882 196 HD2 LYS 23 2HD LYS 23 4.136 1.159 -6.148 197 HD3 LYS 23 1HD LYS 23 4.335 2.774 -5.467 198 HE2 LYS 23 2HE LYS 23 6.562 2.919 -6.495 199 HE3 LYS 23 1HE LYS 23 6.339 1.314 -7.188 200 HZ1 LYS 23 1HZ LYS 23 4.405 2.193 -8.397 201 HZ2 LYS 23 2HZ LYS 23 5.843 2.966 -8.830 202 HZ3 LYS 23 3HZ LYS 23 4.745 3.739 -7.804 203 H VAL 24 H VAL 24 4.344 1.840 -0.604 204 HA VAL 24 HA VAL 24 6.809 3.331 -0.372 205 HB VAL 24 HB VAL 24 4.107 3.763 0.893 206 HG11 VAL 24 1HG1 VAL 24 5.945 4.756 2.210 207 HG12 VAL 24 2HG1 VAL 24 4.826 5.942 1.539 208 HG13 VAL 24 3HG1 VAL 24 6.396 5.685 0.786 209 HG21 VAL 24 1HG2 VAL 24 5.468 5.004 -1.472 210 HG22 VAL 24 2HG2 VAL 24 3.968 5.606 -0.757 211 HG23 VAL 24 3HG2 VAL 24 4.019 3.997 -1.481 212 H VAL 25 H VAL 25 6.001 0.496 0.833 213 HA VAL 25 HA VAL 25 7.293 0.933 3.413 214 HB VAL 25 HB VAL 25 5.501 -0.870 2.896 215 HG11 VAL 25 1HG1 VAL 25 7.968 -2.235 1.846 216 HG12 VAL 25 2HG1 VAL 25 6.509 -1.839 0.937 217 HG13 VAL 25 3HG1 VAL 25 6.447 -3.050 2.221 218 HG21 VAL 25 1HG2 VAL 25 6.605 -0.711 5.028 219 HG22 VAL 25 2HG2 VAL 25 8.023 -1.544 4.391 220 HG23 VAL 25 3HG2 VAL 25 6.489 -2.405 4.550 221 H VAL 26 H VAL 26 7.931 0.161 0.155 222 HA VAL 26 HA VAL 26 10.395 -1.232 0.468 223 HB VAL 26 HB VAL 26 9.158 0.104 -1.930 224 HG11 VAL 26 1HG1 VAL 26 10.647 -1.309 -3.273 225 HG12 VAL 26 2HG1 VAL 26 11.392 -1.927 -1.799 226 HG13 VAL 26 3HG1 VAL 26 11.560 -0.225 -2.225 227 HG21 VAL 26 1HG2 VAL 26 9.108 -2.791 -1.072 228 HG22 VAL 26 2HG2 VAL 26 8.422 -2.144 -2.561 229 HG23 VAL 26 3HG2 VAL 26 7.753 -1.665 -1.003 230 H LEU 27 H LEU 27 9.450 1.939 -0.625 231 HA LEU 27 HA LEU 27 12.012 2.842 -1.191 232 HB2 LEU 27 2HB LEU 27 11.075 4.939 -1.652 233 HB3 LEU 27 1HB LEU 27 9.871 3.750 -2.088 234 HG LEU 27 HG LEU 27 9.753 5.907 -0.092 235 HD11 LEU 27 1HD1 LEU 27 7.377 5.805 -0.768 236 HD12 LEU 27 2HD1 LEU 27 7.763 4.429 -1.798 237 HD13 LEU 27 3HD1 LEU 27 8.481 6.007 -2.130 238 HD21 LEU 27 1HD2 LEU 27 7.994 4.699 1.187 239 HD22 LEU 27 2HD2 LEU 27 9.636 4.114 1.451 240 HD23 LEU 27 3HD2 LEU 27 8.539 3.206 0.415 241 H LEU 28 H LEU 28 10.468 2.480 1.845 242 HA LEU 28 HA LEU 28 12.374 4.280 3.171 243 HB2 LEU 28 2HB LEU 28 10.244 2.542 4.423 244 HB3 LEU 28 1HB LEU 28 11.185 3.777 5.229 245 HG LEU 28 HG LEU 28 9.075 4.206 3.133 246 HD11 LEU 28 1HD1 LEU 28 8.176 3.651 5.311 247 HD12 LEU 28 2HD1 LEU 28 7.890 5.353 4.945 248 HD13 LEU 28 3HD1 LEU 28 9.177 4.896 6.060 249 HD21 LEU 28 1HD2 LEU 28 9.435 6.603 3.505 250 HD22 LEU 28 2HD2 LEU 28 10.876 5.826 2.852 251 HD23 LEU 28 3HD2 LEU 28 10.793 6.230 4.565 252 H LYS 29 H LYS 29 11.715 0.996 2.486 253 HA LYS 29 HA LYS 29 12.806 -0.963 2.834 254 HB2 LYS 29 2HB LYS 29 15.037 0.840 3.790 255 HB3 LYS 29 1HB LYS 29 15.191 -0.896 3.585 256 HG2 LYS 29 2HG LYS 29 14.461 0.994 1.363 257 HG3 LYS 29 1HG LYS 29 16.107 0.466 1.717 258 HD2 LYS 29 2HD LYS 29 15.396 -1.873 1.392 259 HD3 LYS 29 1HD LYS 29 13.784 -1.300 0.959 260 HE2 LYS 29 2HE LYS 29 14.634 -0.161 -0.967 261 HE3 LYS 29 1HE LYS 29 16.298 -0.488 -0.485 262 HZ1 LYS 29 1HZ LYS 29 15.575 -1.987 -2.226 263 HZ2 LYS 29 2HZ LYS 29 14.296 -2.533 -1.269 264 HZ3 LYS 29 3HZ LYS 29 15.890 -2.845 -0.805 265 H ARG 30 H ARG 30 11.178 0.432 4.871 266 HA ARG 30 HA ARG 30 12.379 -0.334 7.405 267 HB2 ARG 30 2HB ARG 30 11.158 1.821 7.143 268 HB3 ARG 30 1HB ARG 30 9.680 0.914 6.860 269 HG2 ARG 30 2HG ARG 30 9.835 -0.045 9.102 270 HG3 ARG 30 1HG ARG 30 11.323 0.862 9.384 271 HD2 ARG 30 2HD ARG 30 8.601 2.032 8.826 272 HD3 ARG 30 1HD ARG 30 9.412 1.990 10.389 273 HE ARG 30 HE ARG 30 11.195 3.292 8.859 274 HH11 ARG 30 1HH1 ARG 30 7.766 3.747 9.402 275 HH12 ARG 30 2HH1 ARG 30 7.815 5.451 9.086 276 HH21 ARG 30 1HH2 ARG 30 11.261 5.533 8.439 277 HH22 ARG 30 2HH2 ARG 30 9.799 6.462 8.524 Start of MODEL 6 1 H1 MET 1 1H MET 1 -28.899 -1.169 10.462 2 H2 MET 1 2H MET 1 -29.851 -1.530 9.115 3 H3 MET 1 3H MET 1 -29.439 0.075 9.459 4 HA MET 1 HA MET 1 -27.551 -2.067 8.708 5 HB2 MET 1 2HB MET 1 -28.577 0.329 7.168 6 HB3 MET 1 1HB MET 1 -27.229 -0.672 6.653 7 HG2 MET 1 2HG MET 1 -29.124 -1.377 5.437 8 HG3 MET 1 1HG MET 1 -28.793 -2.624 6.637 9 HE1 MET 1 1HE MET 1 -30.581 0.895 7.017 10 HE2 MET 1 2HE MET 1 -32.266 0.410 6.851 11 HE3 MET 1 3HE MET 1 -31.165 0.249 5.486 12 H ALA 2 H ALA 2 -25.497 -0.809 7.835 13 HA ALA 2 HA ALA 2 -24.882 1.493 9.526 14 HB1 ALA 2 1HB ALA 2 -23.188 -1.005 9.496 15 HB2 ALA 2 2HB ALA 2 -24.192 -0.458 10.840 16 HB3 ALA 2 3HB ALA 2 -22.803 0.501 10.328 17 H THR 3 H THR 3 -25.343 1.818 6.979 18 HA THR 3 HA THR 3 -23.046 1.363 5.297 19 HB THR 3 HB THR 3 -25.319 3.191 4.639 20 HG1 THR 3 HG1 THR 3 -25.374 0.421 5.057 21 HG21 THR 3 1HG2 THR 3 -23.495 3.006 3.021 22 HG22 THR 3 2HG2 THR 3 -24.974 2.295 2.375 23 HG23 THR 3 3HG2 THR 3 -23.690 1.254 2.989 24 H LYS 4 H LYS 4 -21.894 2.613 7.137 25 HA LYS 4 HA LYS 4 -21.981 5.485 6.991 26 HB2 LYS 4 2HB LYS 4 -19.902 3.715 8.294 27 HB3 LYS 4 1HB LYS 4 -20.197 5.418 8.627 28 HG2 LYS 4 2HG LYS 4 -22.362 4.906 9.560 29 HG3 LYS 4 1HG LYS 4 -22.179 3.209 9.129 30 HD2 LYS 4 2HD LYS 4 -21.695 3.388 11.443 31 HD3 LYS 4 1HD LYS 4 -20.154 3.153 10.616 32 HE2 LYS 4 2HE LYS 4 -19.688 5.520 10.750 33 HE3 LYS 4 1HE LYS 4 -21.266 5.818 11.474 34 HZ1 LYS 4 1HZ LYS 4 -19.566 5.773 13.164 35 HZ2 LYS 4 2HZ LYS 4 -19.059 4.238 12.676 36 HZ3 LYS 4 3HZ LYS 4 -20.588 4.440 13.363 37 H HIS 5 H HIS 5 -21.432 6.210 5.006 38 HA HIS 5 HA HIS 5 -20.286 6.602 3.092 39 HB2 HIS 5 2HB HIS 5 -18.596 7.432 4.764 40 HB3 HIS 5 1HB HIS 5 -17.816 5.857 4.680 41 HD1 HIS 5 HD1 HIS 5 -16.047 5.619 2.953 42 HD2 HIS 5 HD2 HIS 5 -18.597 8.796 2.137 43 HE1 HIS 5 HE1 HIS 5 -15.063 6.774 0.949 44 HE2 HIS 5 HE2 HIS 5 -16.611 8.704 0.483 45 H GLY 6 H GLY 6 -21.522 4.342 2.934 46 HA2 GLY 6 2HA GLY 6 -21.530 2.467 1.570 47 HA3 GLY 6 1HA GLY 6 -19.798 2.665 1.335 48 H LYS 7 H LYS 7 -18.817 2.561 3.855 49 HA LYS 7 HA LYS 7 -17.904 1.081 5.236 50 HB2 LYS 7 2HB LYS 7 -20.194 1.683 6.187 51 HB3 LYS 7 1HB LYS 7 -20.683 0.072 5.688 52 HG2 LYS 7 2HG LYS 7 -20.012 0.257 8.036 53 HG3 LYS 7 1HG LYS 7 -19.086 -0.932 7.128 54 HD2 LYS 7 2HD LYS 7 -17.249 0.660 6.927 55 HD3 LYS 7 1HD LYS 7 -18.192 1.871 7.797 56 HE2 LYS 7 2HE LYS 7 -18.186 0.502 9.781 57 HE3 LYS 7 1HE LYS 7 -17.376 -0.803 8.918 58 HZ1 LYS 7 1HZ LYS 7 -16.248 1.878 9.512 59 HZ2 LYS 7 2HZ LYS 7 -15.471 0.685 8.596 60 HZ3 LYS 7 3HZ LYS 7 -15.799 0.415 10.231 61 H ASN 8 H ASN 8 -18.432 0.188 2.436 62 HA ASN 8 HA ASN 8 -17.584 -2.559 2.880 63 HB2 ASN 8 2HB ASN 8 -20.065 -1.756 1.426 64 HB3 ASN 8 1HB ASN 8 -19.124 -3.096 0.782 65 HD21 ASN 8 1HD2 ASN 8 -20.049 -5.359 3.273 66 HD22 ASN 8 2HD2 ASN 8 -18.967 -5.004 1.972 67 H SER 9 H SER 9 -18.330 -0.067 0.484 68 HA SER 9 HA SER 9 -16.601 -1.006 -1.513 69 HB2 SER 9 2HB SER 9 -16.848 1.430 -2.341 70 HB3 SER 9 1HB SER 9 -18.299 0.433 -2.229 71 HG SER 9 HG SER 9 -19.050 1.715 -0.748 72 H TRP 10 H TRP 10 -15.909 0.776 1.366 73 HA TRP 10 HA TRP 10 -13.598 2.136 0.548 74 HB2 TRP 10 2HB TRP 10 -12.860 2.071 2.876 75 HB3 TRP 10 1HB TRP 10 -14.519 2.532 2.788 76 HD1 TRP 10 HD1 TRP 10 -16.326 0.509 3.471 77 HE1 TRP 10 HE1 TRP 10 -15.992 -1.372 5.224 78 HE3 TRP 10 HE3 TRP 10 -11.355 0.680 3.678 79 HZ2 TRP 10 HZ2 TRP 10 -13.754 -2.597 6.518 80 HZ3 TRP 10 HZ3 TRP 10 -10.144 -0.813 5.161 81 HH2 TRP 10 HH2 TRP 10 -11.305 -2.451 6.555 82 H LYS 11 H LYS 11 -14.116 -1.207 1.443 83 HA LYS 11 HA LYS 11 -11.502 -2.013 1.972 84 HB2 LYS 11 2HB LYS 11 -14.047 -3.134 1.380 85 HB3 LYS 11 1HB LYS 11 -12.810 -4.054 0.531 86 HG2 LYS 11 2HG LYS 11 -11.627 -4.302 2.713 87 HG3 LYS 11 1HG LYS 11 -12.980 -3.457 3.478 88 HD2 LYS 11 2HD LYS 11 -13.187 -6.048 1.943 89 HD3 LYS 11 1HD LYS 11 -13.152 -5.907 3.701 90 HE2 LYS 11 2HE LYS 11 -15.200 -4.609 3.663 91 HE3 LYS 11 1HE LYS 11 -15.222 -4.659 1.900 92 HZ1 LYS 11 1HZ LYS 11 -15.428 -7.083 2.035 93 HZ2 LYS 11 2HZ LYS 11 -16.717 -6.297 2.794 94 HZ3 LYS 11 3HZ LYS 11 -15.487 -6.989 3.723 95 H THR 12 H THR 12 -13.230 -1.662 -1.001 96 HA THR 12 HA THR 12 -11.267 -2.614 -2.788 97 HB THR 12 HB THR 12 -13.732 -0.946 -2.935 98 HG1 THR 12 HG1 THR 12 -13.636 -3.057 -4.598 99 HG21 THR 12 1HG2 THR 12 -11.982 -1.557 -5.322 100 HG22 THR 12 2HG2 THR 12 -12.239 0.041 -4.622 101 HG23 THR 12 3HG2 THR 12 -13.584 -0.820 -5.369 102 H LEU 13 H LEU 13 -11.971 0.517 -1.369 103 HA LEU 13 HA LEU 13 -9.916 2.011 -2.699 104 HB2 LEU 13 2HB LEU 13 -11.273 3.572 -1.764 105 HB3 LEU 13 1HB LEU 13 -11.955 2.403 -0.651 106 HG LEU 13 HG LEU 13 -9.324 3.152 0.223 107 HD11 LEU 13 1HD1 LEU 13 -9.770 5.493 0.757 108 HD12 LEU 13 2HD1 LEU 13 -11.274 5.415 -0.159 109 HD13 LEU 13 3HD1 LEU 13 -9.727 5.227 -0.985 110 HD21 LEU 13 1HD2 LEU 13 -10.519 3.666 2.291 111 HD22 LEU 13 2HD2 LEU 13 -11.085 2.131 1.626 112 HD23 LEU 13 3HD2 LEU 13 -12.060 3.589 1.438 113 H TYR 14 H TYR 14 -10.130 -0.080 0.000 114 HA TYR 14 HA TYR 14 -7.981 1.078 1.475 115 HB2 TYR 14 2HB TYR 14 -9.991 0.094 2.524 116 HB3 TYR 14 1HB TYR 14 -9.486 -1.493 1.949 117 HD1 TYR 14 HD1 TYR 14 -7.580 -2.593 2.873 118 HD2 TYR 14 HD2 TYR 14 -8.869 1.178 4.327 119 HE1 TYR 14 HE1 TYR 14 -6.092 -2.873 4.776 120 HE2 TYR 14 HE2 TYR 14 -7.367 0.934 6.276 121 HH TYR 14 HH TYR 14 -4.953 -1.495 6.453 122 H LEU 15 H LEU 15 -8.426 -1.816 -0.489 123 HA LEU 15 HA LEU 15 -5.843 -2.812 0.247 124 HB2 LEU 15 2HB LEU 15 -7.543 -3.764 -2.041 125 HB3 LEU 15 1HB LEU 15 -6.266 -4.617 -1.193 126 HG LEU 15 HG LEU 15 -8.809 -3.793 0.153 127 HD11 LEU 15 1HD1 LEU 15 -9.556 -6.097 -0.132 128 HD12 LEU 15 2HD1 LEU 15 -8.118 -6.454 -1.089 129 HD13 LEU 15 3HD1 LEU 15 -9.323 -5.316 -1.694 130 HD21 LEU 15 1HD2 LEU 15 -8.127 -5.464 1.801 131 HD22 LEU 15 2HD2 LEU 15 -6.909 -4.201 1.621 132 HD23 LEU 15 3HD2 LEU 15 -6.661 -5.781 0.874 133 H LYS 16 H LYS 16 -7.153 -0.634 -1.980 134 HA LYS 16 HA LYS 16 -4.944 -0.474 -3.763 135 HB2 LYS 16 2HB LYS 16 -7.035 0.509 -4.446 136 HB3 LYS 16 1HB LYS 16 -7.167 1.409 -2.950 137 HG2 LYS 16 2HG LYS 16 -4.856 1.980 -4.725 138 HG3 LYS 16 1HG LYS 16 -6.454 2.578 -5.182 139 HD2 LYS 16 2HD LYS 16 -6.682 3.732 -3.093 140 HD3 LYS 16 1HD LYS 16 -5.196 3.005 -2.482 141 HE2 LYS 16 2HE LYS 16 -4.861 5.339 -3.191 142 HE3 LYS 16 1HE LYS 16 -3.897 4.213 -4.144 143 HZ1 LYS 16 1HZ LYS 16 -5.456 4.379 -5.934 144 HZ2 LYS 16 2HZ LYS 16 -4.999 5.941 -5.482 145 HZ3 LYS 16 3HZ LYS 16 -6.503 5.332 -5.011 146 H ILE 17 H ILE 17 -5.917 0.985 -0.719 147 HA ILE 17 HA ILE 17 -3.714 2.628 -0.272 148 HB ILE 17 HB ILE 17 -5.770 1.320 1.461 149 HG12 ILE 17 2HG1 ILE 17 -5.052 4.213 0.962 150 HG13 ILE 17 1HG1 ILE 17 -6.345 3.328 0.160 151 HG21 ILE 17 1HG2 ILE 17 -3.519 2.982 2.554 152 HG22 ILE 17 2HG2 ILE 17 -3.702 1.240 2.752 153 HG23 ILE 17 3HG2 ILE 17 -4.893 2.334 3.456 154 HD11 ILE 17 1HD1 ILE 17 -7.218 4.746 1.917 155 HD12 ILE 17 2HD1 ILE 17 -6.180 3.952 3.099 156 HD13 ILE 17 3HD1 ILE 17 -7.473 3.047 2.312 157 H SER 18 H SER 18 -4.378 -0.740 0.580 158 HA SER 18 HA SER 18 -1.985 -1.371 1.884 159 HB2 SER 18 2HB SER 18 -3.461 -3.231 0.009 160 HB3 SER 18 1HB SER 18 -2.527 -3.656 1.450 161 HG SER 18 HG SER 18 -4.415 -1.950 2.201 162 H PHE 19 H PHE 19 -2.882 -1.412 -1.505 163 HA PHE 19 HA PHE 19 -0.680 -2.702 -2.589 164 HB2 PHE 19 2HB PHE 19 -2.791 -2.206 -3.775 165 HB3 PHE 19 1HB PHE 19 -2.357 -0.500 -3.810 166 HD1 PHE 19 HD1 PHE 19 -1.560 -3.825 -5.077 167 HD2 PHE 19 HD2 PHE 19 -0.778 0.346 -5.364 168 HE1 PHE 19 HE1 PHE 19 -0.373 -4.203 -7.210 169 HE2 PHE 19 HE2 PHE 19 0.408 -0.018 -7.499 170 HZ PHE 19 HZ PHE 19 0.612 -2.296 -8.421 171 H LEU 20 H LEU 20 -1.263 0.808 -2.427 172 HA LEU 20 HA LEU 20 1.299 1.539 -3.337 173 HB2 LEU 20 2HB LEU 20 -0.711 3.039 -1.674 174 HB3 LEU 20 1HB LEU 20 0.749 3.761 -2.318 175 HG LEU 20 HG LEU 20 -1.593 2.685 -3.874 176 HD11 LEU 20 1HD1 LEU 20 -1.924 4.896 -2.916 177 HD12 LEU 20 2HD1 LEU 20 -1.753 4.994 -4.668 178 HD13 LEU 20 3HD1 LEU 20 -0.406 5.445 -3.624 179 HD21 LEU 20 1HD2 LEU 20 -0.344 3.394 -5.872 180 HD22 LEU 20 2HD2 LEU 20 0.440 2.067 -5.013 181 HD23 LEU 20 3HD2 LEU 20 1.063 3.707 -4.855 182 H GLY 21 H GLY 21 -0.002 0.897 -0.167 183 HA2 GLY 21 2HA GLY 21 2.184 1.803 1.372 184 HA3 GLY 21 1HA GLY 21 0.999 0.606 1.882 185 H CYS 22 H CYS 22 1.562 -1.255 -0.244 186 HA CYS 22 HA CYS 22 3.712 -2.702 0.881 187 HB2 CYS 22 2HB CYS 22 2.298 -3.062 -1.769 188 HB3 CYS 22 1HB CYS 22 3.394 -4.233 -1.048 189 HG CYS 22 HG CYS 22 0.527 -3.214 0.507 190 H LYS 23 H LYS 23 3.524 -0.354 -1.663 191 HA LYS 23 HA LYS 23 6.214 -0.945 -2.598 192 HB2 LYS 23 2HB LYS 23 4.277 1.227 -3.404 193 HB3 LYS 23 1HB LYS 23 5.836 0.936 -4.161 194 HG2 LYS 23 2HG LYS 23 5.080 -1.261 -4.897 195 HG3 LYS 23 1HG LYS 23 3.520 -0.992 -4.116 196 HD2 LYS 23 2HD LYS 23 3.398 -0.557 -6.520 197 HD3 LYS 23 1HD LYS 23 3.106 0.914 -5.589 198 HE2 LYS 23 2HE LYS 23 5.400 1.631 -5.977 199 HE3 LYS 23 1HE LYS 23 5.731 0.145 -6.861 200 HZ1 LYS 23 1HZ LYS 23 4.135 0.803 -8.527 201 HZ2 LYS 23 2HZ LYS 23 5.287 2.020 -8.332 202 HZ3 LYS 23 3HZ LYS 23 3.748 2.204 -7.664 203 H VAL 24 H VAL 24 4.475 1.554 -0.861 204 HA VAL 24 HA VAL 24 6.888 3.093 -0.525 205 HB VAL 24 HB VAL 24 4.093 3.553 0.500 206 HG11 VAL 24 1HG1 VAL 24 6.358 5.506 0.418 207 HG12 VAL 24 2HG1 VAL 24 5.813 4.677 1.871 208 HG13 VAL 24 3HG1 VAL 24 4.732 5.791 1.032 209 HG21 VAL 24 1HG2 VAL 24 5.613 4.669 -1.833 210 HG22 VAL 24 2HG2 VAL 24 4.039 5.258 -1.290 211 HG23 VAL 24 3HG2 VAL 24 4.202 3.610 -1.896 212 H VAL 25 H VAL 25 5.995 0.333 0.817 213 HA VAL 25 HA VAL 25 7.118 0.930 3.444 214 HB VAL 25 HB VAL 25 5.362 -0.886 2.942 215 HG11 VAL 25 1HG1 VAL 25 6.291 -3.098 2.374 216 HG12 VAL 25 2HG1 VAL 25 7.840 -2.322 2.028 217 HG13 VAL 25 3HG1 VAL 25 6.423 -1.932 1.054 218 HG21 VAL 25 1HG2 VAL 25 7.814 -1.574 4.541 219 HG22 VAL 25 2HG2 VAL 25 6.243 -2.364 4.684 220 HG23 VAL 25 3HG2 VAL 25 6.415 -0.660 5.103 221 H VAL 26 H VAL 26 7.977 -0.057 0.289 222 HA VAL 26 HA VAL 26 10.428 -1.385 0.859 223 HB VAL 26 HB VAL 26 9.358 -0.202 -1.697 224 HG11 VAL 26 1HG1 VAL 26 10.967 -1.670 -2.840 225 HG12 VAL 26 2HG1 VAL 26 11.622 -2.157 -1.278 226 HG13 VAL 26 3HG1 VAL 26 11.772 -0.483 -1.812 227 HG21 VAL 26 1HG2 VAL 26 8.744 -2.525 -2.255 228 HG22 VAL 26 2HG2 VAL 26 7.902 -1.935 -0.824 229 HG23 VAL 26 3HG2 VAL 26 9.268 -3.035 -0.651 230 H LEU 27 H LEU 27 9.536 1.700 -0.491 231 HA LEU 27 HA LEU 27 12.130 2.586 -0.934 232 HB2 LEU 27 2HB LEU 27 11.220 4.632 -1.630 233 HB3 LEU 27 1HB LEU 27 10.060 3.399 -2.063 234 HG LEU 27 HG LEU 27 9.769 5.709 -0.271 235 HD11 LEU 27 1HD1 LEU 27 7.448 5.511 -1.097 236 HD12 LEU 27 2HD1 LEU 27 7.921 4.060 -1.977 237 HD13 LEU 27 3HD1 LEU 27 8.642 5.615 -2.391 238 HD21 LEU 27 1HD2 LEU 27 8.546 3.047 0.373 239 HD22 LEU 27 2HD2 LEU 27 7.950 4.591 0.988 240 HD23 LEU 27 3HD2 LEU 27 9.575 4.038 1.397 241 H LEU 28 H LEU 28 10.362 2.448 2.007 242 HA LEU 28 HA LEU 28 12.227 4.315 3.317 243 HB2 LEU 28 2HB LEU 28 9.877 2.848 4.523 244 HB3 LEU 28 1HB LEU 28 10.840 4.083 5.306 245 HG LEU 28 HG LEU 28 8.974 4.461 2.987 246 HD11 LEU 28 1HD1 LEU 28 7.847 4.176 5.113 247 HD12 LEU 28 2HD1 LEU 28 7.716 5.846 4.563 248 HD13 LEU 28 3HD1 LEU 28 8.862 5.425 5.835 249 HD21 LEU 28 1HD2 LEU 28 9.491 6.853 3.193 250 HD22 LEU 28 2HD2 LEU 28 10.910 5.914 2.733 251 HD23 LEU 28 3HD2 LEU 28 10.723 6.472 4.395 252 H LYS 29 H LYS 29 11.431 1.014 2.934 253 HA LYS 29 HA LYS 29 12.376 -0.941 3.589 254 HB2 LYS 29 2HB LYS 29 14.606 0.842 4.590 255 HB3 LYS 29 1HB LYS 29 14.670 -0.913 4.600 256 HG2 LYS 29 2HG LYS 29 14.358 0.789 2.136 257 HG3 LYS 29 1HG LYS 29 15.875 0.086 2.704 258 HD2 LYS 29 2HD LYS 29 14.945 -2.155 2.445 259 HD3 LYS 29 1HD LYS 29 13.405 -1.469 1.926 260 HE2 LYS 29 2HE LYS 29 14.529 -0.440 0.001 261 HE3 LYS 29 1HE LYS 29 16.052 -1.168 0.512 262 HZ1 LYS 29 1HZ LYS 29 13.612 -2.692 -0.216 263 HZ2 LYS 29 2HZ LYS 29 15.121 -3.341 0.169 264 HZ3 LYS 29 3HZ LYS 29 14.929 -2.433 -1.241 265 H ARG 30 H ARG 30 10.601 0.686 5.254 266 HA ARG 30 HA ARG 30 11.437 0.099 7.977 267 HB2 ARG 30 2HB ARG 30 10.423 2.297 7.435 268 HB3 ARG 30 1HB ARG 30 8.944 1.479 6.955 269 HG2 ARG 30 2HG ARG 30 8.695 2.407 9.165 270 HG3 ARG 30 1HG ARG 30 8.678 0.646 9.255 271 HD2 ARG 30 2HD ARG 30 10.017 1.604 11.050 272 HD3 ARG 30 1HD ARG 30 11.016 0.654 9.955 273 HE ARG 30 HE ARG 30 11.078 3.328 9.120 274 HH11 ARG 30 1HH1 ARG 30 12.155 1.371 11.819 275 HH12 ARG 30 2HH1 ARG 30 13.536 2.368 12.151 276 HH21 ARG 30 1HH2 ARG 30 12.886 4.650 9.570 277 HH22 ARG 30 2HH2 ARG 30 13.955 4.224 10.869 Start of MODEL 7 1 H1 MET 1 1H MET 1 -26.852 10.039 14.155 2 H2 MET 1 2H MET 1 -28.413 10.664 13.992 3 H3 MET 1 3H MET 1 -27.134 11.687 14.399 4 HA MET 1 HA MET 1 -27.731 11.972 12.097 5 HB2 MET 1 2HB MET 1 -25.089 10.580 12.578 6 HB3 MET 1 1HB MET 1 -25.484 11.442 11.100 7 HG2 MET 1 2HG MET 1 -25.669 13.515 12.303 8 HG3 MET 1 1HG MET 1 -25.442 12.685 13.839 9 HE1 MET 1 1HE MET 1 -23.120 10.636 13.290 10 HE2 MET 1 2HE MET 1 -23.168 11.710 14.686 11 HE3 MET 1 3HE MET 1 -21.708 11.607 13.705 12 H ALA 2 H ALA 2 -27.792 11.049 9.944 13 HA ALA 2 HA ALA 2 -28.147 8.124 9.924 14 HB1 ALA 2 1HB ALA 2 -30.345 9.224 9.963 15 HB2 ALA 2 2HB ALA 2 -30.066 8.365 8.446 16 HB3 ALA 2 3HB ALA 2 -29.913 10.121 8.507 17 H THR 3 H THR 3 -25.812 9.413 9.263 18 HA THR 3 HA THR 3 -25.670 9.919 6.436 19 HB THR 3 HB THR 3 -23.375 9.581 8.366 20 HG1 THR 3 HG1 THR 3 -25.116 11.761 7.884 21 HG21 THR 3 1HG2 THR 3 -23.641 11.121 5.783 22 HG22 THR 3 2HG2 THR 3 -22.769 9.603 5.995 23 HG23 THR 3 3HG2 THR 3 -22.205 11.063 6.807 24 H LYS 4 H LYS 4 -25.169 8.507 4.896 25 HA LYS 4 HA LYS 4 -24.373 5.797 5.675 26 HB2 LYS 4 2HB LYS 4 -26.382 6.037 4.255 27 HB3 LYS 4 1HB LYS 4 -25.412 6.836 3.031 28 HG2 LYS 4 2HG LYS 4 -24.132 4.829 2.669 29 HG3 LYS 4 1HG LYS 4 -24.991 4.025 3.976 30 HD2 LYS 4 2HD LYS 4 -26.287 5.078 1.470 31 HD3 LYS 4 1HD LYS 4 -25.825 3.394 1.730 32 HE2 LYS 4 2HE LYS 4 -27.803 4.966 3.379 33 HE3 LYS 4 1HE LYS 4 -28.202 3.751 2.169 34 HZ1 LYS 4 1HZ LYS 4 -28.296 2.838 4.399 35 HZ2 LYS 4 2HZ LYS 4 -26.684 3.256 4.673 36 HZ3 LYS 4 3HZ LYS 4 -27.066 2.091 3.509 37 H HIS 5 H HIS 5 -22.214 5.700 5.847 38 HA HIS 5 HA HIS 5 -20.556 7.204 3.978 39 HB2 HIS 5 2HB HIS 5 -20.172 7.193 6.492 40 HB3 HIS 5 1HB HIS 5 -19.622 5.533 6.315 41 HD1 HIS 5 HD1 HIS 5 -17.158 5.617 6.581 42 HD2 HIS 5 HD2 HIS 5 -18.560 8.703 4.177 43 HE1 HIS 5 HE1 HIS 5 -15.107 6.825 5.766 44 HE2 HIS 5 HE2 HIS 5 -15.978 8.705 4.333 45 H GLY 6 H GLY 6 -22.070 4.407 3.768 46 HA2 GLY 6 2HA GLY 6 -21.787 2.950 1.944 47 HA3 GLY 6 1HA GLY 6 -20.089 3.400 1.877 48 H LYS 7 H LYS 7 -19.060 2.833 4.229 49 HA LYS 7 HA LYS 7 -18.022 1.141 5.273 50 HB2 LYS 7 2HB LYS 7 -20.381 1.419 6.314 51 HB3 LYS 7 1HB LYS 7 -20.712 -0.130 5.561 52 HG2 LYS 7 2HG LYS 7 -20.084 -0.396 7.846 53 HG3 LYS 7 1HG LYS 7 -18.876 -1.134 6.810 54 HD2 LYS 7 2HD LYS 7 -17.571 -0.035 8.372 55 HD3 LYS 7 1HD LYS 7 -17.667 1.160 7.084 56 HE2 LYS 7 2HE LYS 7 -19.452 1.111 9.509 57 HE3 LYS 7 1HE LYS 7 -18.005 2.099 9.360 58 HZ1 LYS 7 1HZ LYS 7 -19.852 3.453 8.831 59 HZ2 LYS 7 2HZ LYS 7 -20.502 2.302 7.780 60 HZ3 LYS 7 3HZ LYS 7 -19.079 3.118 7.364 61 H ASN 8 H ASN 8 -18.146 0.827 2.434 62 HA ASN 8 HA ASN 8 -17.472 -1.966 2.336 63 HB2 ASN 8 2HB ASN 8 -18.964 -2.616 0.541 64 HB3 ASN 8 1HB ASN 8 -19.905 -2.045 1.908 65 HD21 ASN 8 1HD2 ASN 8 -21.081 -0.700 -1.426 66 HD22 ASN 8 2HD2 ASN 8 -20.565 -2.275 -0.933 67 H SER 9 H SER 9 -17.952 1.018 0.489 68 HA SER 9 HA SER 9 -16.357 0.288 -1.716 69 HB2 SER 9 2HB SER 9 -18.030 2.131 -1.725 70 HB3 SER 9 1HB SER 9 -16.956 3.072 -0.695 71 HG SER 9 HG SER 9 -16.169 3.731 -2.528 72 H TRP 10 H TRP 10 -15.545 1.423 1.437 73 HA TRP 10 HA TRP 10 -13.029 2.521 0.962 74 HB2 TRP 10 2HB TRP 10 -12.447 1.904 3.245 75 HB3 TRP 10 1HB TRP 10 -14.031 2.584 3.205 76 HD1 TRP 10 HD1 TRP 10 -16.115 0.738 3.482 77 HE1 TRP 10 HE1 TRP 10 -16.076 -1.518 4.770 78 HE3 TRP 10 HE3 TRP 10 -11.174 0.177 3.685 79 HZ2 TRP 10 HZ2 TRP 10 -14.052 -3.296 5.731 80 HZ3 TRP 10 HZ3 TRP 10 -10.206 -1.756 4.782 81 HH2 TRP 10 HH2 TRP 10 -11.607 -3.490 5.778 82 H LYS 11 H LYS 11 -14.056 -0.825 1.101 83 HA LYS 11 HA LYS 11 -11.601 -2.092 1.502 84 HB2 LYS 11 2HB LYS 11 -14.243 -2.701 0.603 85 HB3 LYS 11 1HB LYS 11 -13.076 -3.615 -0.346 86 HG2 LYS 11 2HG LYS 11 -12.108 -4.450 1.778 87 HG3 LYS 11 1HG LYS 11 -13.358 -3.555 2.651 88 HD2 LYS 11 2HD LYS 11 -13.874 -5.745 0.637 89 HD3 LYS 11 1HD LYS 11 -13.911 -5.950 2.389 90 HE2 LYS 11 2HE LYS 11 -15.709 -4.269 2.520 91 HE3 LYS 11 1HE LYS 11 -15.700 -4.146 0.761 92 HZ1 LYS 11 1HZ LYS 11 -17.446 -5.618 1.486 93 HZ2 LYS 11 2HZ LYS 11 -16.349 -6.575 2.339 94 HZ3 LYS 11 3HZ LYS 11 -16.276 -6.506 0.650 95 H THR 12 H THR 12 -13.131 -0.914 -1.383 96 HA THR 12 HA THR 12 -11.178 -1.758 -3.255 97 HB THR 12 HB THR 12 -13.502 0.100 -3.195 98 HG1 THR 12 HG1 THR 12 -12.783 -2.311 -4.439 99 HG21 THR 12 1HG2 THR 12 -11.642 -0.097 -5.565 100 HG22 THR 12 2HG2 THR 12 -11.833 1.317 -4.529 101 HG23 THR 12 3HG2 THR 12 -13.186 0.757 -5.508 102 H LEU 13 H LEU 13 -11.611 1.053 -1.242 103 HA LEU 13 HA LEU 13 -9.407 2.590 -2.256 104 HB2 LEU 13 2HB LEU 13 -10.648 4.061 -1.059 105 HB3 LEU 13 1HB LEU 13 -11.457 2.773 -0.191 106 HG LEU 13 HG LEU 13 -8.794 3.096 0.829 107 HD11 LEU 13 1HD1 LEU 13 -10.508 5.574 0.826 108 HD12 LEU 13 2HD1 LEU 13 -8.947 5.381 0.028 109 HD13 LEU 13 3HD1 LEU 13 -9.050 5.333 1.787 110 HD21 LEU 13 1HD2 LEU 13 -10.691 2.018 1.998 111 HD22 LEU 13 2HD2 LEU 13 -11.496 3.585 2.096 112 HD23 LEU 13 3HD2 LEU 13 -9.974 3.325 2.946 113 H TYR 14 H TYR 14 -9.856 0.008 -0.072 114 HA TYR 14 HA TYR 14 -7.677 0.708 1.659 115 HB2 TYR 14 2HB TYR 14 -9.815 -0.165 2.510 116 HB3 TYR 14 1HB TYR 14 -9.504 -1.691 1.687 117 HD1 TYR 14 HD1 TYR 14 -7.869 -3.210 2.483 118 HD2 TYR 14 HD2 TYR 14 -8.548 0.488 4.447 119 HE1 TYR 14 HE1 TYR 14 -6.497 -3.989 4.339 120 HE2 TYR 14 HE2 TYR 14 -7.161 -0.262 6.339 121 HH TYR 14 HH TYR 14 -6.353 -2.282 7.353 122 H LEU 15 H LEU 15 -8.420 -1.867 -0.637 123 HA LEU 15 HA LEU 15 -5.942 -3.196 -0.104 124 HB2 LEU 15 2HB LEU 15 -7.755 -3.609 -2.473 125 HB3 LEU 15 1HB LEU 15 -6.561 -4.711 -1.811 126 HG LEU 15 HG LEU 15 -8.980 -3.853 -0.265 127 HD11 LEU 15 1HD1 LEU 15 -9.983 -5.988 -0.883 128 HD12 LEU 15 2HD1 LEU 15 -8.613 -6.333 -1.937 129 HD13 LEU 15 3HD1 LEU 15 -9.695 -4.991 -2.308 130 HD21 LEU 15 1HD2 LEU 15 -7.070 -6.162 0.052 131 HD22 LEU 15 2HD2 LEU 15 -8.462 -5.818 1.080 132 HD23 LEU 15 3HD2 LEU 15 -7.097 -4.700 1.040 133 H LYS 16 H LYS 16 -7.032 -0.589 -1.923 134 HA LYS 16 HA LYS 16 -4.812 -0.363 -3.703 135 HB2 LYS 16 2HB LYS 16 -6.869 0.804 -4.221 136 HB3 LYS 16 1HB LYS 16 -6.912 1.541 -2.635 137 HG2 LYS 16 2HG LYS 16 -4.692 2.164 -4.538 138 HG3 LYS 16 1HG LYS 16 -6.255 2.980 -4.650 139 HD2 LYS 16 2HD LYS 16 -6.005 3.498 -2.191 140 HD3 LYS 16 1HD LYS 16 -4.338 2.947 -2.339 141 HE2 LYS 16 2HE LYS 16 -4.359 5.340 -2.551 142 HE3 LYS 16 1HE LYS 16 -3.997 4.644 -4.130 143 HZ1 LYS 16 1HZ LYS 16 -6.663 5.625 -3.262 144 HZ2 LYS 16 2HZ LYS 16 -6.286 5.001 -4.786 145 HZ3 LYS 16 3HZ LYS 16 -5.598 6.455 -4.277 146 H ILE 17 H ILE 17 -5.758 0.840 -0.521 147 HA ILE 17 HA ILE 17 -3.476 2.285 0.124 148 HB ILE 17 HB ILE 17 -5.678 0.995 1.655 149 HG12 ILE 17 2HG1 ILE 17 -4.608 3.820 1.548 150 HG13 ILE 17 1HG1 ILE 17 -5.981 3.203 0.634 151 HG21 ILE 17 1HG2 ILE 17 -3.689 0.500 2.984 152 HG22 ILE 17 2HG2 ILE 17 -4.780 1.625 3.794 153 HG23 ILE 17 3HG2 ILE 17 -3.301 2.220 3.029 154 HD11 ILE 17 1HD1 ILE 17 -7.191 2.811 2.712 155 HD12 ILE 17 2HD1 ILE 17 -6.696 4.498 2.561 156 HD13 ILE 17 3HD1 ILE 17 -5.810 3.411 3.631 157 H SER 18 H SER 18 -4.319 -1.097 0.718 158 HA SER 18 HA SER 18 -1.992 -1.863 2.068 159 HB2 SER 18 2HB SER 18 -4.208 -3.162 1.704 160 HB3 SER 18 1HB SER 18 -3.478 -3.687 0.182 161 HG SER 18 HG SER 18 -2.661 -5.192 1.409 162 H PHE 19 H PHE 19 -2.798 -1.781 -1.362 163 HA PHE 19 HA PHE 19 -0.508 -3.091 -2.315 164 HB2 PHE 19 2HB PHE 19 -2.607 -2.697 -3.614 165 HB3 PHE 19 1HB PHE 19 -2.147 -0.999 -3.758 166 HD1 PHE 19 HD1 PHE 19 -1.252 -4.438 -4.668 167 HD2 PHE 19 HD2 PHE 19 -0.491 -0.302 -5.312 168 HE1 PHE 19 HE1 PHE 19 0.105 -4.999 -6.649 169 HE2 PHE 19 HE2 PHE 19 0.860 -0.852 -7.296 170 HZ PHE 19 HZ PHE 19 1.161 -3.202 -7.964 171 H LEU 20 H LEU 20 -1.266 0.395 -2.367 172 HA LEU 20 HA LEU 20 1.296 1.187 -3.187 173 HB2 LEU 20 2HB LEU 20 -1.024 2.593 -1.943 174 HB3 LEU 20 1HB LEU 20 0.503 3.437 -2.116 175 HG LEU 20 HG LEU 20 0.413 2.976 -4.561 176 HD11 LEU 20 1HD1 LEU 20 -1.492 2.098 -5.603 177 HD12 LEU 20 2HD1 LEU 20 -2.439 2.182 -4.118 178 HD13 LEU 20 3HD1 LEU 20 -1.135 1.006 -4.262 179 HD21 LEU 20 1HD2 LEU 20 -1.320 4.639 -5.055 180 HD22 LEU 20 2HD2 LEU 20 -0.320 5.122 -3.685 181 HD23 LEU 20 3HD2 LEU 20 -1.936 4.475 -3.411 182 H GLY 21 H GLY 21 -0.096 0.687 0.010 183 HA2 GLY 21 2HA GLY 21 2.050 1.731 1.507 184 HA3 GLY 21 1HA GLY 21 0.925 0.493 2.056 185 H CYS 22 H CYS 22 1.601 -1.327 -0.123 186 HA CYS 22 HA CYS 22 3.871 -2.599 1.068 187 HB2 CYS 22 2HB CYS 22 1.922 -3.848 0.145 188 HB3 CYS 22 1HB CYS 22 2.386 -3.324 -1.468 189 HG CYS 22 HG CYS 22 3.266 -6.018 0.030 190 H LYS 23 H LYS 23 3.353 -0.459 -1.637 191 HA LYS 23 HA LYS 23 6.038 -0.949 -2.649 192 HB2 LYS 23 2HB LYS 23 3.953 1.077 -3.459 193 HB3 LYS 23 1HB LYS 23 5.515 0.888 -4.238 194 HG2 LYS 23 2HG LYS 23 4.924 -1.407 -4.858 195 HG3 LYS 23 1HG LYS 23 3.345 -1.189 -4.106 196 HD2 LYS 23 2HD LYS 23 3.122 -0.886 -6.481 197 HD3 LYS 23 1HD LYS 23 2.901 0.672 -5.689 198 HE2 LYS 23 2HE LYS 23 5.604 -0.118 -6.698 199 HE3 LYS 23 1HE LYS 23 4.391 0.473 -7.829 200 HZ1 LYS 23 1HZ LYS 23 5.742 2.286 -7.103 201 HZ2 LYS 23 2HZ LYS 23 5.478 1.926 -5.477 202 HZ3 LYS 23 3HZ LYS 23 4.202 2.484 -6.435 203 H VAL 24 H VAL 24 4.290 1.467 -0.843 204 HA VAL 24 HA VAL 24 6.651 3.110 -0.573 205 HB VAL 24 HB VAL 24 3.856 3.425 0.518 206 HG11 VAL 24 1HG1 VAL 24 5.567 4.590 1.895 207 HG12 VAL 24 2HG1 VAL 24 4.382 5.654 1.139 208 HG13 VAL 24 3HG1 VAL 24 5.999 5.511 0.458 209 HG21 VAL 24 1HG2 VAL 24 3.921 3.562 -1.866 210 HG22 VAL 24 2HG2 VAL 24 5.301 4.659 -1.799 211 HG23 VAL 24 3HG2 VAL 24 3.719 5.190 -1.215 212 H VAL 25 H VAL 25 5.966 0.282 0.722 213 HA VAL 25 HA VAL 25 7.098 0.911 3.336 214 HB VAL 25 HB VAL 25 5.464 -1.019 2.889 215 HG11 VAL 25 1HG1 VAL 25 6.505 -1.976 0.941 216 HG12 VAL 25 2HG1 VAL 25 6.522 -3.158 2.252 217 HG13 VAL 25 3HG1 VAL 25 7.992 -2.271 1.839 218 HG21 VAL 25 1HG2 VAL 25 6.526 -2.444 4.570 219 HG22 VAL 25 2HG2 VAL 25 6.613 -0.738 4.996 220 HG23 VAL 25 3HG2 VAL 25 8.035 -1.558 4.354 221 H VAL 26 H VAL 26 7.964 0.073 0.151 222 HA VAL 26 HA VAL 26 10.506 -1.111 0.633 223 HB VAL 26 HB VAL 26 9.353 0.108 -1.868 224 HG11 VAL 26 1HG1 VAL 26 10.989 -1.282 -3.068 225 HG12 VAL 26 2HG1 VAL 26 11.661 -1.814 -1.526 226 HG13 VAL 26 3HG1 VAL 26 11.775 -0.118 -2.001 227 HG21 VAL 26 1HG2 VAL 26 8.764 -2.188 -2.499 228 HG22 VAL 26 2HG2 VAL 26 7.955 -1.700 -1.010 229 HG23 VAL 26 3HG2 VAL 26 9.356 -2.769 -0.943 230 H LEU 27 H LEU 27 9.391 1.966 -0.557 231 HA LEU 27 HA LEU 27 11.920 3.051 -0.980 232 HB2 LEU 27 2HB LEU 27 10.865 5.040 -1.613 233 HB3 LEU 27 1HB LEU 27 9.784 3.745 -2.073 234 HG LEU 27 HG LEU 27 9.362 5.973 -0.197 235 HD11 LEU 27 1HD1 LEU 27 7.590 4.270 -1.937 236 HD12 LEU 27 2HD1 LEU 27 8.245 5.859 -2.338 237 HD13 LEU 27 3HD1 LEU 27 7.066 5.693 -1.038 238 HD21 LEU 27 1HD2 LEU 27 7.618 4.691 1.019 239 HD22 LEU 27 2HD2 LEU 27 9.273 4.231 1.411 240 HD23 LEU 27 3HD2 LEU 27 8.311 3.212 0.346 241 H LEU 28 H LEU 28 10.160 2.675 1.931 242 HA LEU 28 HA LEU 28 11.949 4.535 3.348 243 HB2 LEU 28 2HB LEU 28 9.701 2.861 4.479 244 HB3 LEU 28 1HB LEU 28 10.594 4.107 5.322 245 HG LEU 28 HG LEU 28 8.653 4.495 3.059 246 HD11 LEU 28 1HD1 LEU 28 7.342 5.697 4.723 247 HD12 LEU 28 2HD1 LEU 28 8.557 5.334 5.949 248 HD13 LEU 28 3HD1 LEU 28 7.624 4.027 5.218 249 HD21 LEU 28 1HD2 LEU 28 9.025 6.897 3.375 250 HD22 LEU 28 2HD2 LEU 28 10.490 6.075 2.836 251 HD23 LEU 28 3HD2 LEU 28 10.311 6.541 4.528 252 H LYS 29 H LYS 29 11.324 1.275 2.655 253 HA LYS 29 HA LYS 29 12.362 -0.686 3.050 254 HB2 LYS 29 2HB LYS 29 14.406 0.928 2.710 255 HB3 LYS 29 1HB LYS 29 14.636 0.691 4.434 256 HG2 LYS 29 2HG LYS 29 16.022 -0.856 3.256 257 HG3 LYS 29 1HG LYS 29 14.722 -1.752 4.040 258 HD2 LYS 29 2HD LYS 29 14.818 -2.708 1.923 259 HD3 LYS 29 1HD LYS 29 13.506 -1.544 1.773 260 HE2 LYS 29 2HE LYS 29 16.353 -1.061 0.902 261 HE3 LYS 29 1HE LYS 29 15.047 -1.552 -0.168 262 HZ1 LYS 29 1HZ LYS 29 13.881 0.529 0.500 263 HZ2 LYS 29 2HZ LYS 29 15.317 0.781 -0.356 264 HZ3 LYS 29 3HZ LYS 29 15.289 1.004 1.316 265 H ARG 30 H ARG 30 10.533 0.472 4.915 266 HA ARG 30 HA ARG 30 11.429 -0.790 7.416 267 HB2 ARG 30 2HB ARG 30 11.733 1.633 7.612 268 HB3 ARG 30 1HB ARG 30 10.060 1.892 7.147 269 HG2 ARG 30 2HG ARG 30 9.342 0.711 9.188 270 HG3 ARG 30 1HG ARG 30 11.036 0.556 9.662 271 HD2 ARG 30 2HD ARG 30 11.268 2.981 9.661 272 HD3 ARG 30 1HD ARG 30 9.589 3.150 9.154 273 HE ARG 30 HE ARG 30 9.716 1.658 11.543 274 HH11 ARG 30 1HH1 ARG 30 10.120 4.909 10.325 275 HH12 ARG 30 2HH1 ARG 30 9.691 5.667 11.824 276 HH21 ARG 30 1HH2 ARG 30 9.144 2.655 13.535 277 HH22 ARG 30 2HH2 ARG 30 9.137 4.385 13.648 Start of MODEL 8 1 H1 MET 1 1H MET 1 -23.158 0.943 16.171 2 H2 MET 1 2H MET 1 -23.993 2.257 16.836 3 H3 MET 1 3H MET 1 -22.390 2.439 16.328 4 HA MET 1 HA MET 1 -22.988 2.109 14.057 5 HB2 MET 1 2HB MET 1 -24.846 0.541 14.460 6 HB3 MET 1 1HB MET 1 -25.811 1.853 15.121 7 HG2 MET 1 2HG MET 1 -25.756 2.980 12.948 8 HG3 MET 1 1HG MET 1 -24.814 1.647 12.289 9 HE1 MET 1 1HE MET 1 -28.288 1.148 10.565 10 HE2 MET 1 2HE MET 1 -26.552 1.351 10.322 11 HE3 MET 1 3HE MET 1 -27.516 2.685 10.955 12 H ALA 2 H ALA 2 -22.666 4.049 13.247 13 HA ALA 2 HA ALA 2 -24.285 6.294 14.259 14 HB1 ALA 2 1HB ALA 2 -22.356 7.760 13.976 15 HB2 ALA 2 2HB ALA 2 -21.381 6.393 13.442 16 HB3 ALA 2 3HB ALA 2 -21.986 6.449 15.096 17 H THR 3 H THR 3 -25.288 4.950 12.243 18 HA THR 3 HA THR 3 -26.152 5.143 10.160 19 HB THR 3 HB THR 3 -24.632 7.725 9.862 20 HG1 THR 3 HG1 THR 3 -26.545 7.112 11.632 21 HG21 THR 3 1HG2 THR 3 -26.456 8.309 8.337 22 HG22 THR 3 2HG2 THR 3 -27.199 6.736 8.618 23 HG23 THR 3 3HG2 THR 3 -25.634 6.839 7.809 24 H LYS 4 H LYS 4 -25.429 3.725 8.766 25 HA LYS 4 HA LYS 4 -22.627 3.833 7.924 26 HB2 LYS 4 2HB LYS 4 -23.507 1.695 8.885 27 HB3 LYS 4 1HB LYS 4 -24.632 1.601 7.538 28 HG2 LYS 4 2HG LYS 4 -22.809 1.403 5.972 29 HG3 LYS 4 1HG LYS 4 -21.636 1.639 7.265 30 HD2 LYS 4 2HD LYS 4 -21.666 -0.676 6.890 31 HD3 LYS 4 1HD LYS 4 -22.636 -0.439 8.340 32 HE2 LYS 4 2HE LYS 4 -23.846 -0.639 5.594 33 HE3 LYS 4 1HE LYS 4 -23.536 -2.056 6.592 34 HZ1 LYS 4 1HZ LYS 4 -25.376 0.193 7.179 35 HZ2 LYS 4 2HZ LYS 4 -24.944 -0.968 8.326 36 HZ3 LYS 4 3HZ LYS 4 -25.772 -1.429 6.929 37 H HIS 5 H HIS 5 -22.676 5.410 6.447 38 HA HIS 5 HA HIS 5 -24.202 4.889 4.001 39 HB2 HIS 5 2HB HIS 5 -25.498 6.496 5.259 40 HB3 HIS 5 1HB HIS 5 -24.069 7.477 5.549 41 HD1 HIS 5 HD1 HIS 5 -26.307 6.381 2.687 42 HD2 HIS 5 HD2 HIS 5 -23.650 9.423 3.667 43 HE1 HIS 5 HE1 HIS 5 -26.487 8.062 0.825 44 HE2 HIS 5 HE2 HIS 5 -24.963 9.951 1.502 45 H GLY 6 H GLY 6 -22.438 4.306 2.822 46 HA2 GLY 6 2HA GLY 6 -20.769 5.035 1.290 47 HA3 GLY 6 1HA GLY 6 -20.441 6.403 2.344 48 H LYS 7 H LYS 7 -20.837 3.314 3.782 49 HA LYS 7 HA LYS 7 -17.928 3.090 4.150 50 HB2 LYS 7 2HB LYS 7 -19.193 3.703 6.206 51 HB3 LYS 7 1HB LYS 7 -20.122 2.221 6.044 52 HG2 LYS 7 2HG LYS 7 -18.423 1.927 7.700 53 HG3 LYS 7 1HG LYS 7 -18.044 0.923 6.301 54 HD2 LYS 7 2HD LYS 7 -16.420 2.568 5.536 55 HD3 LYS 7 1HD LYS 7 -16.830 3.624 6.891 56 HE2 LYS 7 2HE LYS 7 -16.066 1.891 8.453 57 HE3 LYS 7 1HE LYS 7 -15.634 0.860 7.090 58 HZ1 LYS 7 1HZ LYS 7 -13.999 2.471 6.402 59 HZ2 LYS 7 2HZ LYS 7 -13.727 2.054 8.016 60 HZ3 LYS 7 3HZ LYS 7 -14.457 3.530 7.637 61 H ASN 8 H ASN 8 -18.131 1.892 2.089 62 HA ASN 8 HA ASN 8 -18.315 -0.927 2.573 63 HB2 ASN 8 2HB ASN 8 -19.962 -1.253 0.619 64 HB3 ASN 8 1HB ASN 8 -20.617 -0.769 2.176 65 HD21 ASN 8 1HD2 ASN 8 -22.464 1.539 0.325 66 HD22 ASN 8 2HD2 ASN 8 -22.466 0.049 1.198 67 H SER 9 H SER 9 -18.022 1.645 0.156 68 HA SER 9 HA SER 9 -16.609 -0.006 -1.700 69 HB2 SER 9 2HB SER 9 -16.181 2.277 -2.804 70 HB3 SER 9 1HB SER 9 -17.855 1.735 -2.676 71 HG SER 9 HG SER 9 -16.629 3.895 -1.532 72 H TRP 10 H TRP 10 -15.674 1.285 1.177 73 HA TRP 10 HA TRP 10 -13.128 2.301 0.576 74 HB2 TRP 10 2HB TRP 10 -12.544 1.807 2.915 75 HB3 TRP 10 1HB TRP 10 -14.030 2.666 2.792 76 HD1 TRP 10 HD1 TRP 10 -16.307 1.243 3.390 77 HE1 TRP 10 HE1 TRP 10 -16.536 -0.863 4.893 78 HE3 TRP 10 HE3 TRP 10 -11.495 -0.160 3.353 79 HZ2 TRP 10 HZ2 TRP 10 -14.763 -2.865 5.918 80 HZ3 TRP 10 HZ3 TRP 10 -10.797 -2.105 4.581 81 HH2 TRP 10 HH2 TRP 10 -12.387 -3.473 5.832 82 H LYS 11 H LYS 11 -14.266 -0.997 0.958 83 HA LYS 11 HA LYS 11 -11.791 -2.204 1.520 84 HB2 LYS 11 2HB LYS 11 -14.318 -3.141 0.221 85 HB3 LYS 11 1HB LYS 11 -12.905 -4.164 0.284 86 HG2 LYS 11 2HG LYS 11 -12.918 -4.205 2.654 87 HG3 LYS 11 1HG LYS 11 -14.119 -2.916 2.722 88 HD2 LYS 11 2HD LYS 11 -14.623 -5.631 1.513 89 HD3 LYS 11 1HD LYS 11 -15.018 -5.202 3.178 90 HE2 LYS 11 2HE LYS 11 -16.474 -3.412 2.363 91 HE3 LYS 11 1HE LYS 11 -16.094 -3.858 0.702 92 HZ1 LYS 11 1HZ LYS 11 -18.186 -4.812 1.337 93 HZ2 LYS 11 2HZ LYS 11 -17.501 -5.545 2.697 94 HZ3 LYS 11 3HZ LYS 11 -17.060 -6.058 1.144 95 H THR 12 H THR 12 -13.298 -1.225 -1.425 96 HA THR 12 HA THR 12 -11.398 -2.261 -3.248 97 HB THR 12 HB THR 12 -13.692 -0.421 -3.201 98 HG1 THR 12 HG1 THR 12 -13.236 -2.847 -3.967 99 HG21 THR 12 1HG2 THR 12 -13.379 0.387 -5.468 100 HG22 THR 12 2HG2 THR 12 -11.797 -0.391 -5.552 101 HG23 THR 12 3HG2 THR 12 -12.067 0.946 -4.434 102 H LEU 13 H LEU 13 -11.734 0.738 -1.453 103 HA LEU 13 HA LEU 13 -9.412 2.065 -2.468 104 HB2 LEU 13 2HB LEU 13 -10.541 3.667 -1.341 105 HB3 LEU 13 1HB LEU 13 -11.469 2.471 -0.456 106 HG LEU 13 HG LEU 13 -8.805 2.604 0.609 107 HD11 LEU 13 1HD1 LEU 13 -8.860 4.875 1.497 108 HD12 LEU 13 2HD1 LEU 13 -10.298 5.216 0.534 109 HD13 LEU 13 3HD1 LEU 13 -8.762 4.871 -0.264 110 HD21 LEU 13 1HD2 LEU 13 -10.723 1.715 1.831 111 HD22 LEU 13 2HD2 LEU 13 -11.491 3.305 1.795 112 HD23 LEU 13 3HD2 LEU 13 -9.999 3.071 2.702 113 H TYR 14 H TYR 14 -10.059 -0.369 -0.165 114 HA TYR 14 HA TYR 14 -7.968 0.202 1.639 115 HB2 TYR 14 2HB TYR 14 -10.096 -0.903 2.252 116 HB3 TYR 14 1HB TYR 14 -9.584 -2.328 1.346 117 HD1 TYR 14 HD1 TYR 14 -9.139 -0.356 4.355 118 HD2 TYR 14 HD2 TYR 14 -7.739 -3.676 2.109 119 HE1 TYR 14 HE1 TYR 14 -7.806 -1.119 6.290 120 HE2 TYR 14 HE2 TYR 14 -6.436 -4.466 3.995 121 HH TYR 14 HH TYR 14 -6.866 -3.331 7.135 122 H LEU 15 H LEU 15 -8.332 -2.072 -1.012 123 HA LEU 15 HA LEU 15 -5.871 -3.374 -0.356 124 HB2 LEU 15 2HB LEU 15 -7.370 -3.620 -2.946 125 HB3 LEU 15 1HB LEU 15 -6.236 -4.741 -2.216 126 HG LEU 15 HG LEU 15 -8.868 -4.079 -0.959 127 HD11 LEU 15 1HD1 LEU 15 -9.249 -5.083 -3.157 128 HD12 LEU 15 2HD1 LEU 15 -9.685 -6.193 -1.859 129 HD13 LEU 15 3HD1 LEU 15 -8.171 -6.413 -2.736 130 HD21 LEU 15 1HD2 LEU 15 -6.933 -6.350 -0.542 131 HD22 LEU 15 2HD2 LEU 15 -8.458 -6.112 0.309 132 HD23 LEU 15 3HD2 LEU 15 -7.138 -4.964 0.527 133 H LYS 16 H LYS 16 -6.915 -0.665 -2.148 134 HA LYS 16 HA LYS 16 -4.533 -0.238 -3.639 135 HB2 LYS 16 2HB LYS 16 -6.465 0.969 -4.351 136 HB3 LYS 16 1HB LYS 16 -6.842 1.481 -2.720 137 HG2 LYS 16 2HG LYS 16 -4.338 2.437 -4.027 138 HG3 LYS 16 1HG LYS 16 -5.888 3.187 -4.414 139 HD2 LYS 16 2HD LYS 16 -5.059 2.762 -1.578 140 HD3 LYS 16 1HD LYS 16 -4.450 4.158 -2.477 141 HE2 LYS 16 2HE LYS 16 -7.361 3.463 -2.098 142 HE3 LYS 16 1HE LYS 16 -6.482 4.643 -1.130 143 HZ1 LYS 16 1HZ LYS 16 -6.082 5.924 -3.153 144 HZ2 LYS 16 2HZ LYS 16 -7.735 5.725 -2.866 145 HZ3 LYS 16 3HZ LYS 16 -6.969 4.802 -4.055 146 H ILE 17 H ILE 17 -5.790 0.604 -0.467 147 HA ILE 17 HA ILE 17 -3.658 2.058 0.543 148 HB ILE 17 HB ILE 17 -5.849 0.417 1.727 149 HG12 ILE 17 2HG1 ILE 17 -5.042 3.313 2.032 150 HG13 ILE 17 1HG1 ILE 17 -6.291 2.699 0.954 151 HG21 ILE 17 1HG2 ILE 17 -3.689 1.658 3.407 152 HG22 ILE 17 2HG2 ILE 17 -3.909 -0.069 3.129 153 HG23 ILE 17 3HG2 ILE 17 -5.149 0.847 3.986 154 HD11 ILE 17 1HD1 ILE 17 -7.575 1.935 2.888 155 HD12 ILE 17 2HD1 ILE 17 -7.263 3.671 2.946 156 HD13 ILE 17 3HD1 ILE 17 -6.327 2.571 3.960 157 H SER 18 H SER 18 -4.313 -1.418 0.552 158 HA SER 18 HA SER 18 -2.002 -2.256 1.921 159 HB2 SER 18 2HB SER 18 -3.386 -3.799 -0.282 160 HB3 SER 18 1HB SER 18 -2.500 -4.444 1.101 161 HG SER 18 HG SER 18 -4.511 -2.830 1.916 162 H PHE 19 H PHE 19 -2.671 -1.633 -1.472 163 HA PHE 19 HA PHE 19 -0.344 -2.773 -2.544 164 HB2 PHE 19 2HB PHE 19 -2.403 -2.167 -3.827 165 HB3 PHE 19 1HB PHE 19 -1.936 -0.472 -3.688 166 HD1 PHE 19 HD1 PHE 19 -0.165 0.438 -5.007 167 HD2 PHE 19 HD2 PHE 19 -1.082 -3.714 -5.147 168 HE1 PHE 19 HE1 PHE 19 1.240 0.201 -7.015 169 HE2 PHE 19 HE2 PHE 19 0.322 -3.961 -7.158 170 HZ PHE 19 HZ PHE 19 1.486 -2.000 -8.094 171 H LEU 20 H LEU 20 -1.113 0.677 -2.094 172 HA LEU 20 HA LEU 20 1.480 1.592 -2.647 173 HB2 LEU 20 2HB LEU 20 -0.891 2.767 -1.261 174 HB3 LEU 20 1HB LEU 20 0.641 3.618 -1.224 175 HG LEU 20 HG LEU 20 0.629 3.570 -3.730 176 HD11 LEU 20 1HD1 LEU 20 -1.344 3.019 -4.923 177 HD12 LEU 20 2HD1 LEU 20 -2.248 2.774 -3.429 178 HD13 LEU 20 3HD1 LEU 20 -0.961 1.654 -3.872 179 HD21 LEU 20 1HD2 LEU 20 -0.034 5.558 -2.494 180 HD22 LEU 20 2HD2 LEU 20 -1.684 4.948 -2.377 181 HD23 LEU 20 3HD2 LEU 20 -1.011 5.373 -3.951 182 H GLY 21 H GLY 21 -0.097 0.698 0.384 183 HA2 GLY 21 2HA GLY 21 1.970 1.477 2.126 184 HA3 GLY 21 1HA GLY 21 0.778 0.227 2.451 185 H CYS 22 H CYS 22 1.623 -1.293 0.055 186 HA CYS 22 HA CYS 22 3.844 -2.696 1.277 187 HB2 CYS 22 2HB CYS 22 1.969 -4.012 0.481 188 HB3 CYS 22 1HB CYS 22 2.127 -3.330 -1.133 189 HG CYS 22 HG CYS 22 4.180 -5.585 0.400 190 H LYS 23 H LYS 23 3.289 -0.504 -1.367 191 HA LYS 23 HA LYS 23 5.815 -1.226 -2.626 192 HB2 LYS 23 2HB LYS 23 3.857 -0.709 -4.035 193 HB3 LYS 23 1HB LYS 23 3.809 0.916 -3.368 194 HG2 LYS 23 2HG LYS 23 5.961 1.419 -4.355 195 HG3 LYS 23 1HG LYS 23 6.093 -0.232 -4.958 196 HD2 LYS 23 2HD LYS 23 4.094 0.123 -6.338 197 HD3 LYS 23 1HD LYS 23 3.986 1.780 -5.742 198 HE2 LYS 23 2HE LYS 23 6.146 2.297 -6.725 199 HE3 LYS 23 1HE LYS 23 6.320 0.630 -7.271 200 HZ1 LYS 23 1HZ LYS 23 5.576 2.092 -9.049 201 HZ2 LYS 23 2HZ LYS 23 4.204 2.515 -8.159 202 HZ3 LYS 23 3HZ LYS 23 4.404 0.926 -8.699 203 H VAL 24 H VAL 24 4.389 1.538 -0.942 204 HA VAL 24 HA VAL 24 6.855 3.050 -1.056 205 HB VAL 24 HB VAL 24 4.427 3.946 -1.076 206 HG11 VAL 24 1HG1 VAL 24 4.961 3.443 1.800 207 HG12 VAL 24 2HG1 VAL 24 3.619 2.850 0.826 208 HG13 VAL 24 3HG1 VAL 24 3.721 4.563 1.242 209 HG21 VAL 24 1HG2 VAL 24 6.417 5.375 -1.047 210 HG22 VAL 24 2HG2 VAL 24 6.490 5.227 0.709 211 HG23 VAL 24 3HG2 VAL 24 5.123 6.036 -0.052 212 H VAL 25 H VAL 25 5.998 0.438 0.692 213 HA VAL 25 HA VAL 25 7.363 1.265 3.126 214 HB VAL 25 HB VAL 25 5.455 -0.437 3.078 215 HG11 VAL 25 1HG1 VAL 25 7.668 -2.194 2.033 216 HG12 VAL 25 2HG1 VAL 25 6.206 -1.727 1.158 217 HG13 VAL 25 3HG1 VAL 25 6.090 -2.759 2.591 218 HG21 VAL 25 1HG2 VAL 25 6.470 -1.841 4.823 219 HG22 VAL 25 2HG2 VAL 25 6.826 -0.129 5.047 220 HG23 VAL 25 3HG2 VAL 25 8.057 -1.208 4.390 221 H VAL 26 H VAL 26 7.928 -0.223 0.096 222 HA VAL 26 HA VAL 26 10.321 -1.608 0.661 223 HB VAL 26 HB VAL 26 9.283 -0.509 -1.944 224 HG11 VAL 26 1HG1 VAL 26 10.733 -2.191 -3.005 225 HG12 VAL 26 2HG1 VAL 26 11.367 -2.632 -1.419 226 HG13 VAL 26 3HG1 VAL 26 11.660 -1.019 -2.068 227 HG21 VAL 26 1HG2 VAL 26 8.424 -2.761 -2.351 228 HG22 VAL 26 2HG2 VAL 26 7.713 -2.063 -0.897 229 HG23 VAL 26 3HG2 VAL 26 8.989 -3.271 -0.763 230 H LEU 27 H LEU 27 9.564 1.461 -0.754 231 HA LEU 27 HA LEU 27 12.246 2.015 -1.406 232 HB2 LEU 27 2HB LEU 27 11.432 3.809 -2.623 233 HB3 LEU 27 1HB LEU 27 10.112 2.657 -2.637 234 HG LEU 27 HG LEU 27 10.223 5.338 -1.399 235 HD11 LEU 27 1HD1 LEU 27 7.993 5.420 -2.344 236 HD12 LEU 27 2HD1 LEU 27 8.132 3.724 -2.814 237 HD13 LEU 27 3HD1 LEU 27 9.180 4.936 -3.557 238 HD21 LEU 27 1HD2 LEU 27 8.229 4.740 -0.074 239 HD22 LEU 27 2HD2 LEU 27 9.738 4.043 0.506 240 HD23 LEU 27 3HD2 LEU 27 8.603 3.042 -0.386 241 H LEU 28 H LEU 28 10.397 2.570 1.424 242 HA LEU 28 HA LEU 28 12.407 4.453 2.466 243 HB2 LEU 28 2HB LEU 28 9.896 3.461 3.823 244 HB3 LEU 28 1HB LEU 28 10.954 4.734 4.392 245 HG LEU 28 HG LEU 28 9.191 4.830 1.966 246 HD11 LEU 28 1HD1 LEU 28 7.951 5.000 4.032 247 HD12 LEU 28 2HD1 LEU 28 7.996 6.565 3.220 248 HD13 LEU 28 3HD1 LEU 28 9.042 6.260 4.607 249 HD21 LEU 28 1HD2 LEU 28 11.239 6.075 1.570 250 HD22 LEU 28 2HD2 LEU 28 11.036 6.922 3.103 251 HD23 LEU 28 3HD2 LEU 28 9.882 7.178 1.795 252 H LYS 29 H LYS 29 11.311 1.225 2.568 253 HA LYS 29 HA LYS 29 11.857 -0.648 3.702 254 HB2 LYS 29 2HB LYS 29 14.194 0.981 4.714 255 HB3 LYS 29 1HB LYS 29 13.985 -0.742 4.997 256 HG2 LYS 29 2HG LYS 29 14.318 0.589 2.315 257 HG3 LYS 29 1HG LYS 29 15.547 -0.331 3.183 258 HD2 LYS 29 2HD LYS 29 14.231 -2.348 2.991 259 HD3 LYS 29 1HD LYS 29 12.902 -1.453 2.258 260 HE2 LYS 29 2HE LYS 29 14.115 -2.601 0.529 261 HE3 LYS 29 1HE LYS 29 14.394 -0.870 0.370 262 HZ1 LYS 29 1HZ LYS 29 16.519 -1.179 1.522 263 HZ2 LYS 29 2HZ LYS 29 16.442 -2.060 0.085 264 HZ3 LYS 29 3HZ LYS 29 16.253 -2.848 1.568 265 H ARG 30 H ARG 30 10.082 1.323 4.624 266 HA ARG 30 HA ARG 30 8.756 1.899 6.328 267 HB2 ARG 30 2HB ARG 30 8.625 -0.551 6.632 268 HB3 ARG 30 1HB ARG 30 9.972 -0.464 7.760 269 HG2 ARG 30 2HG ARG 30 8.665 0.936 9.244 270 HG3 ARG 30 1HG ARG 30 7.323 0.919 8.104 271 HD2 ARG 30 2HD ARG 30 6.986 -0.658 9.953 272 HD3 ARG 30 1HD ARG 30 7.067 -1.470 8.392 273 HE ARG 30 HE ARG 30 9.385 -2.076 8.973 274 HH11 ARG 30 1HH1 ARG 30 7.224 -1.149 11.576 275 HH12 ARG 30 2HH1 ARG 30 8.061 -2.084 12.769 276 HH21 ARG 30 1HH2 ARG 30 10.475 -3.317 10.544 277 HH22 ARG 30 2HH2 ARG 30 9.904 -3.327 12.181 Start of MODEL 9 1 H1 MET 1 1H MET 1 -33.299 -2.487 -5.145 2 H2 MET 1 2H MET 1 -32.670 -1.041 -4.539 3 H3 MET 1 3H MET 1 -34.320 -1.168 -4.884 4 HA MET 1 HA MET 1 -33.931 -1.281 -2.530 5 HB2 MET 1 2HB MET 1 -35.136 -3.364 -2.052 6 HB3 MET 1 1HB MET 1 -35.837 -2.510 -3.417 7 HG2 MET 1 2HG MET 1 -34.846 -4.044 -4.966 8 HG3 MET 1 1HG MET 1 -33.932 -4.824 -3.676 9 HE1 MET 1 1HE MET 1 -38.523 -5.055 -4.079 10 HE2 MET 1 2HE MET 1 -37.481 -4.139 -5.168 11 HE3 MET 1 3HE MET 1 -37.689 -3.613 -3.497 12 H ALA 2 H ALA 2 -32.210 -3.787 -4.302 13 HA ALA 2 HA ALA 2 -30.825 -4.644 -1.897 14 HB1 ALA 2 1HB ALA 2 -30.501 -5.571 -4.753 15 HB2 ALA 2 2HB ALA 2 -31.544 -6.320 -3.543 16 HB3 ALA 2 3HB ALA 2 -29.793 -6.327 -3.325 17 H THR 3 H THR 3 -30.195 -2.181 -1.989 18 HA THR 3 HA THR 3 -28.033 -1.512 -3.762 19 HB THR 3 HB THR 3 -28.865 -0.008 -1.279 20 HG1 THR 3 HG1 THR 3 -30.082 -0.157 -3.844 21 HG21 THR 3 1HG2 THR 3 -27.685 0.904 -3.910 22 HG22 THR 3 2HG2 THR 3 -26.811 0.759 -2.385 23 HG23 THR 3 3HG2 THR 3 -28.105 1.946 -2.550 24 H LYS 4 H LYS 4 -25.873 -1.486 -3.311 25 HA LYS 4 HA LYS 4 -24.956 -3.061 -1.107 26 HB2 LYS 4 2HB LYS 4 -23.397 -1.426 -3.116 27 HB3 LYS 4 1HB LYS 4 -22.694 -2.568 -1.977 28 HG2 LYS 4 2HG LYS 4 -23.995 -4.377 -3.035 29 HG3 LYS 4 1HG LYS 4 -24.603 -3.216 -4.215 30 HD2 LYS 4 2HD LYS 4 -21.698 -3.904 -3.780 31 HD3 LYS 4 1HD LYS 4 -22.709 -4.541 -5.077 32 HE2 LYS 4 2HE LYS 4 -23.034 -2.279 -5.937 33 HE3 LYS 4 1HE LYS 4 -22.048 -1.633 -4.626 34 HZ1 LYS 4 1HZ LYS 4 -21.117 -3.496 -6.741 35 HZ2 LYS 4 2HZ LYS 4 -20.167 -2.902 -5.474 36 HZ3 LYS 4 3HZ LYS 4 -20.765 -1.844 -6.650 37 H HIS 5 H HIS 5 -25.292 -2.195 0.806 38 HA HIS 5 HA HIS 5 -23.979 0.345 1.430 39 HB2 HIS 5 2HB HIS 5 -26.415 0.733 0.942 40 HB3 HIS 5 1HB HIS 5 -26.800 -0.322 2.295 41 HD1 HIS 5 HD1 HIS 5 -26.634 0.657 4.645 42 HD2 HIS 5 HD2 HIS 5 -25.297 3.251 1.684 43 HE1 HIS 5 HE1 HIS 5 -26.366 2.889 5.771 44 HE2 HIS 5 HE2 HIS 5 -25.497 4.430 3.977 45 H GLY 6 H GLY 6 -22.412 -0.782 2.551 46 HA2 GLY 6 2HA GLY 6 -23.239 -1.770 5.163 47 HA3 GLY 6 1HA GLY 6 -22.397 -2.915 4.121 48 H LYS 7 H LYS 7 -21.737 0.458 3.953 49 HA LYS 7 HA LYS 7 -19.810 1.597 4.024 50 HB2 LYS 7 2HB LYS 7 -19.379 0.164 6.636 51 HB3 LYS 7 1HB LYS 7 -18.860 1.761 6.159 52 HG2 LYS 7 2HG LYS 7 -21.722 0.978 6.528 53 HG3 LYS 7 1HG LYS 7 -20.742 1.783 7.749 54 HD2 LYS 7 2HD LYS 7 -20.988 2.985 5.026 55 HD3 LYS 7 1HD LYS 7 -22.310 3.166 6.179 56 HE2 LYS 7 2HE LYS 7 -20.837 5.078 6.306 57 HE3 LYS 7 1HE LYS 7 -20.741 4.144 7.795 58 HZ1 LYS 7 1HZ LYS 7 -18.661 3.225 7.102 59 HZ2 LYS 7 2HZ LYS 7 -18.567 4.906 6.956 60 HZ3 LYS 7 3HZ LYS 7 -18.778 3.951 5.579 61 H ASN 8 H ASN 8 -19.367 -0.262 2.307 62 HA ASN 8 HA ASN 8 -16.840 -1.573 3.065 63 HB2 ASN 8 2HB ASN 8 -18.961 -2.388 1.071 64 HB3 ASN 8 1HB ASN 8 -17.357 -3.115 1.107 65 HD21 ASN 8 1HD2 ASN 8 -19.951 -4.980 3.167 66 HD22 ASN 8 2HD2 ASN 8 -20.050 -4.247 1.604 67 H SER 9 H SER 9 -17.787 1.117 1.710 68 HA SER 9 HA SER 9 -16.734 1.064 -0.904 69 HB2 SER 9 2HB SER 9 -16.843 3.576 -0.692 70 HB3 SER 9 1HB SER 9 -18.356 2.736 -0.345 71 HG SER 9 HG SER 9 -16.702 4.187 1.329 72 H TRP 10 H TRP 10 -15.316 1.639 2.200 73 HA TRP 10 HA TRP 10 -12.946 2.901 1.322 74 HB2 TRP 10 2HB TRP 10 -12.005 2.183 3.493 75 HB3 TRP 10 1HB TRP 10 -13.531 2.973 3.690 76 HD1 TRP 10 HD1 TRP 10 -15.683 1.272 4.237 77 HE1 TRP 10 HE1 TRP 10 -15.620 -1.034 5.439 78 HE3 TRP 10 HE3 TRP 10 -10.803 0.359 3.713 79 HZ2 TRP 10 HZ2 TRP 10 -13.597 -2.997 6.039 80 HZ3 TRP 10 HZ3 TRP 10 -9.830 -1.664 4.592 81 HH2 TRP 10 HH2 TRP 10 -11.186 -3.340 5.732 82 H LYS 11 H LYS 11 -13.927 -0.459 1.468 83 HA LYS 11 HA LYS 11 -11.436 -1.677 1.814 84 HB2 LYS 11 2HB LYS 11 -13.740 -2.657 0.128 85 HB3 LYS 11 1HB LYS 11 -12.448 -3.616 0.806 86 HG2 LYS 11 2HG LYS 11 -13.224 -2.943 3.078 87 HG3 LYS 11 1HG LYS 11 -14.610 -2.174 2.303 88 HD2 LYS 11 2HD LYS 11 -15.107 -4.445 3.147 89 HD3 LYS 11 1HD LYS 11 -15.330 -4.295 1.399 90 HE2 LYS 11 2HE LYS 11 -13.240 -5.345 0.967 91 HE3 LYS 11 1HE LYS 11 -12.810 -5.309 2.682 92 HZ1 LYS 11 1HZ LYS 11 -14.633 -6.848 3.120 93 HZ2 LYS 11 2HZ LYS 11 -13.534 -7.507 2.019 94 HZ3 LYS 11 3HZ LYS 11 -15.012 -6.898 1.473 95 H THR 12 H THR 12 -13.085 -0.655 -1.044 96 HA THR 12 HA THR 12 -11.262 -1.530 -2.996 97 HB THR 12 HB THR 12 -13.681 -0.010 -2.666 98 HG1 THR 12 HG1 THR 12 -12.680 -2.036 -4.165 99 HG21 THR 12 1HG2 THR 12 -11.913 0.797 -4.989 100 HG22 THR 12 2HG2 THR 12 -12.435 1.836 -3.662 101 HG23 THR 12 3HG2 THR 12 -13.619 1.213 -4.810 102 H LEU 13 H LEU 13 -11.416 1.192 -0.911 103 HA LEU 13 HA LEU 13 -9.383 2.776 -2.224 104 HB2 LEU 13 2HB LEU 13 -10.556 4.294 -1.016 105 HB3 LEU 13 1HB LEU 13 -11.323 3.024 -0.078 106 HG LEU 13 HG LEU 13 -8.605 3.410 0.807 107 HD11 LEU 13 1HD1 LEU 13 -8.866 5.683 -0.011 108 HD12 LEU 13 2HD1 LEU 13 -8.844 5.650 1.752 109 HD13 LEU 13 3HD1 LEU 13 -10.372 5.847 0.893 110 HD21 LEU 13 1HD2 LEU 13 -11.236 3.848 2.225 111 HD22 LEU 13 2HD2 LEU 13 -9.658 3.649 2.987 112 HD23 LEU 13 3HD2 LEU 13 -10.389 2.302 2.108 113 H TYR 14 H TYR 14 -9.717 0.476 0.313 114 HA TYR 14 HA TYR 14 -7.285 1.245 1.624 115 HB2 TYR 14 2HB TYR 14 -9.238 0.761 2.920 116 HB3 TYR 14 1HB TYR 14 -9.365 -0.852 2.225 117 HD1 TYR 14 HD1 TYR 14 -7.695 -2.550 2.792 118 HD2 TYR 14 HD2 TYR 14 -7.814 1.241 4.695 119 HE1 TYR 14 HE1 TYR 14 -6.225 -3.416 4.538 120 HE2 TYR 14 HE2 TYR 14 -6.318 0.407 6.463 121 HH TYR 14 HH TYR 14 -4.591 -2.489 6.206 122 H LEU 15 H LEU 15 -8.468 -1.501 -0.249 123 HA LEU 15 HA LEU 15 -6.068 -3.011 0.157 124 HB2 LEU 15 2HB LEU 15 -8.165 -3.362 -1.983 125 HB3 LEU 15 1HB LEU 15 -6.960 -4.527 -1.476 126 HG LEU 15 HG LEU 15 -9.129 -3.508 0.331 127 HD11 LEU 15 1HD1 LEU 15 -9.004 -6.082 -1.238 128 HD12 LEU 15 2HD1 LEU 15 -10.105 -4.738 -1.542 129 HD13 LEU 15 3HD1 LEU 15 -10.230 -5.659 -0.043 130 HD21 LEU 15 1HD2 LEU 15 -8.500 -5.418 1.716 131 HD22 LEU 15 2HD2 LEU 15 -7.139 -4.323 1.473 132 HD23 LEU 15 3HD2 LEU 15 -7.225 -5.832 0.568 133 H LYS 16 H LYS 16 -7.104 -0.455 -1.750 134 HA LYS 16 HA LYS 16 -5.039 -0.539 -3.731 135 HB2 LYS 16 2HB LYS 16 -7.083 0.668 -4.204 136 HB3 LYS 16 1HB LYS 16 -6.966 1.556 -2.703 137 HG2 LYS 16 2HG LYS 16 -4.842 1.888 -4.763 138 HG3 LYS 16 1HG LYS 16 -6.395 2.710 -4.943 139 HD2 LYS 16 2HD LYS 16 -6.086 3.562 -2.597 140 HD3 LYS 16 1HD LYS 16 -4.438 2.939 -2.671 141 HE2 LYS 16 2HE LYS 16 -4.442 5.301 -3.222 142 HE3 LYS 16 1HE LYS 16 -4.014 4.356 -4.646 143 HZ1 LYS 16 1HZ LYS 16 -6.290 4.592 -5.437 144 HZ2 LYS 16 2HZ LYS 16 -5.579 6.104 -5.194 145 HZ3 LYS 16 3HZ LYS 16 -6.693 5.505 -4.073 146 H ILE 17 H ILE 17 -5.655 0.963 -0.606 147 HA ILE 17 HA ILE 17 -3.290 2.393 -0.290 148 HB ILE 17 HB ILE 17 -5.372 1.300 1.542 149 HG12 ILE 17 2HG1 ILE 17 -4.318 4.090 1.051 150 HG13 ILE 17 1HG1 ILE 17 -5.756 3.392 0.312 151 HG21 ILE 17 1HG2 ILE 17 -2.895 2.656 2.566 152 HG22 ILE 17 2HG2 ILE 17 -3.258 0.939 2.722 153 HG23 ILE 17 3HG2 ILE 17 -4.290 2.129 3.516 154 HD11 ILE 17 1HD1 ILE 17 -5.356 3.921 3.248 155 HD12 ILE 17 2HD1 ILE 17 -6.798 3.218 2.514 156 HD13 ILE 17 3HD1 ILE 17 -6.336 4.878 2.137 157 H SER 18 H SER 18 -4.183 -0.895 0.651 158 HA SER 18 HA SER 18 -1.827 -1.676 1.930 159 HB2 SER 18 2HB SER 18 -3.496 -3.466 0.146 160 HB3 SER 18 1HB SER 18 -2.565 -3.927 1.572 161 HG SER 18 HG SER 18 -4.038 -2.497 2.764 162 H PHE 19 H PHE 19 -2.730 -1.628 -1.443 163 HA PHE 19 HA PHE 19 -0.561 -3.120 -2.463 164 HB2 PHE 19 2HB PHE 19 -2.738 -2.756 -3.606 165 HB3 PHE 19 1HB PHE 19 -2.311 -1.065 -3.839 166 HD1 PHE 19 HD1 PHE 19 -1.672 -4.496 -4.848 167 HD2 PHE 19 HD2 PHE 19 -0.688 -0.407 -5.477 168 HE1 PHE 19 HE1 PHE 19 -0.578 -5.096 -6.974 169 HE2 PHE 19 HE2 PHE 19 0.410 -0.995 -7.606 170 HZ PHE 19 HZ PHE 19 0.464 -3.341 -8.355 171 H LEU 20 H LEU 20 -1.193 0.392 -2.440 172 HA LEU 20 HA LEU 20 1.385 1.020 -3.507 173 HB2 LEU 20 2HB LEU 20 -0.640 2.771 -2.125 174 HB3 LEU 20 1HB LEU 20 0.773 3.349 -2.989 175 HG LEU 20 HG LEU 20 -1.609 1.925 -4.162 176 HD11 LEU 20 1HD1 LEU 20 -1.903 4.013 -5.403 177 HD12 LEU 20 2HD1 LEU 20 -0.534 4.716 -4.541 178 HD13 LEU 20 3HD1 LEU 20 -1.996 4.272 -3.660 179 HD21 LEU 20 1HD2 LEU 20 0.459 1.182 -5.222 180 HD22 LEU 20 2HD2 LEU 20 0.905 2.860 -5.527 181 HD23 LEU 20 3HD2 LEU 20 -0.514 2.169 -6.314 182 H GLY 21 H GLY 21 0.046 0.593 -0.355 183 HA2 GLY 21 2HA GLY 21 2.161 1.716 1.162 184 HA3 GLY 21 1HA GLY 21 1.019 0.499 1.723 185 H CYS 22 H CYS 22 1.829 -1.256 -0.571 186 HA CYS 22 HA CYS 22 4.046 -2.586 0.645 187 HB2 CYS 22 2HB CYS 22 2.538 -3.050 -1.931 188 HB3 CYS 22 1HB CYS 22 3.847 -4.086 -1.386 189 HG CYS 22 HG CYS 22 0.830 -3.619 0.146 190 H LYS 23 H LYS 23 3.672 -0.183 -1.807 191 HA LYS 23 HA LYS 23 6.408 -0.528 -2.737 192 HB2 LYS 23 2HB LYS 23 4.257 1.443 -3.508 193 HB3 LYS 23 1HB LYS 23 5.885 1.469 -4.171 194 HG2 LYS 23 2HG LYS 23 3.934 -0.810 -4.414 195 HG3 LYS 23 1HG LYS 23 4.303 0.371 -5.671 196 HD2 LYS 23 2HD LYS 23 6.646 -0.372 -5.661 197 HD3 LYS 23 1HD LYS 23 6.254 -1.571 -4.428 198 HE2 LYS 23 2HE LYS 23 6.317 -2.619 -6.606 199 HE3 LYS 23 1HE LYS 23 4.672 -2.621 -5.981 200 HZ1 LYS 23 1HZ LYS 23 4.688 -2.007 -8.297 201 HZ2 LYS 23 2HZ LYS 23 5.770 -0.744 -8.000 202 HZ3 LYS 23 3HZ LYS 23 4.202 -0.680 -7.371 203 H VAL 24 H VAL 24 4.465 1.715 -0.882 204 HA VAL 24 HA VAL 24 6.784 3.364 -0.347 205 HB VAL 24 HB VAL 24 3.912 3.649 0.517 206 HG11 VAL 24 1HG1 VAL 24 5.501 4.793 2.030 207 HG12 VAL 24 2HG1 VAL 24 4.398 5.880 1.188 208 HG13 VAL 24 3HG1 VAL 24 6.063 5.720 0.644 209 HG21 VAL 24 1HG2 VAL 24 3.888 5.443 -1.197 210 HG22 VAL 24 2HG2 VAL 24 4.115 3.820 -1.855 211 HG23 VAL 24 3HG2 VAL 24 5.498 4.909 -1.692 212 H VAL 25 H VAL 25 5.999 0.498 0.769 213 HA VAL 25 HA VAL 25 6.926 1.010 3.496 214 HB VAL 25 HB VAL 25 5.335 -0.885 2.931 215 HG11 VAL 25 1HG1 VAL 25 7.821 -2.076 1.724 216 HG12 VAL 25 2HG1 VAL 25 6.337 -1.651 0.876 217 HG13 VAL 25 3HG1 VAL 25 6.331 -2.961 2.058 218 HG21 VAL 25 1HG2 VAL 25 6.567 -0.823 5.027 219 HG22 VAL 25 2HG2 VAL 25 7.923 -1.647 4.261 220 HG23 VAL 25 3HG2 VAL 25 6.376 -2.475 4.445 221 H VAL 26 H VAL 26 8.032 0.214 0.339 222 HA VAL 26 HA VAL 26 10.529 -0.943 0.982 223 HB VAL 26 HB VAL 26 9.621 0.405 -1.552 224 HG11 VAL 26 1HG1 VAL 26 11.898 -1.515 -1.061 225 HG12 VAL 26 2HG1 VAL 26 12.030 0.189 -1.490 226 HG13 VAL 26 3HG1 VAL 26 11.361 -0.962 -2.646 227 HG21 VAL 26 1HG2 VAL 26 9.094 -1.848 -2.357 228 HG22 VAL 26 2HG2 VAL 26 8.146 -1.436 -0.929 229 HG23 VAL 26 3HG2 VAL 26 9.534 -2.514 -0.785 230 H LEU 27 H LEU 27 9.571 2.185 -0.223 231 HA LEU 27 HA LEU 27 12.120 3.279 -0.369 232 HB2 LEU 27 2HB LEU 27 11.093 5.290 -0.975 233 HB3 LEU 27 1HB LEU 27 10.041 4.024 -1.556 234 HG LEU 27 HG LEU 27 9.521 6.142 0.430 235 HD11 LEU 27 1HD1 LEU 27 7.325 6.044 -0.615 236 HD12 LEU 27 2HD1 LEU 27 7.808 4.611 -1.514 237 HD13 LEU 27 3HD1 LEU 27 8.598 6.160 -1.830 238 HD21 LEU 27 1HD2 LEU 27 7.608 4.794 1.345 239 HD22 LEU 27 2HD2 LEU 27 9.206 4.353 1.938 240 HD23 LEU 27 3HD2 LEU 27 8.419 3.362 0.710 241 H LEU 28 H LEU 28 10.127 2.736 2.302 242 HA LEU 28 HA LEU 28 11.532 4.658 3.992 243 HB2 LEU 28 2HB LEU 28 9.315 4.981 4.407 244 HB3 LEU 28 1HB LEU 28 8.884 3.341 3.979 245 HG LEU 28 HG LEU 28 9.817 2.613 6.173 246 HD11 LEU 28 1HD1 LEU 28 11.243 4.532 6.654 247 HD12 LEU 28 2HD1 LEU 28 10.048 4.318 7.933 248 HD13 LEU 28 3HD1 LEU 28 9.828 5.582 6.726 249 HD21 LEU 28 1HD2 LEU 28 7.514 4.553 6.186 250 HD22 LEU 28 2HD2 LEU 28 7.848 3.360 7.440 251 HD23 LEU 28 3HD2 LEU 28 7.439 2.831 5.810 252 H LYS 29 H LYS 29 11.058 1.315 3.330 253 HA LYS 29 HA LYS 29 12.087 -0.582 3.958 254 HB2 LYS 29 2HB LYS 29 14.120 0.934 3.666 255 HB3 LYS 29 1HB LYS 29 14.120 1.104 5.414 256 HG2 LYS 29 2HG LYS 29 15.719 -0.580 4.648 257 HG3 LYS 29 1HG LYS 29 14.471 -1.276 5.679 258 HD2 LYS 29 2HD LYS 29 14.984 -2.691 3.724 259 HD3 LYS 29 1HD LYS 29 13.307 -2.153 3.746 260 HE2 LYS 29 2HE LYS 29 14.248 -2.009 1.502 261 HE3 LYS 29 1HE LYS 29 13.838 -0.409 2.118 262 HZ1 LYS 29 1HZ LYS 29 16.558 -1.597 2.085 263 HZ2 LYS 29 2HZ LYS 29 16.164 -0.053 2.651 264 HZ3 LYS 29 3HZ LYS 29 15.984 -0.425 1.011 265 H ARG 30 H ARG 30 9.999 0.523 5.540 266 HA ARG 30 HA ARG 30 10.583 -0.872 8.047 267 HB2 ARG 30 2HB ARG 30 10.895 1.541 8.465 268 HB3 ARG 30 1HB ARG 30 9.260 1.840 7.898 269 HG2 ARG 30 2HG ARG 30 8.354 0.554 9.732 270 HG3 ARG 30 1HG ARG 30 9.985 0.169 10.288 271 HD2 ARG 30 2HD ARG 30 10.430 2.507 10.709 272 HD3 ARG 30 1HD ARG 30 8.857 2.953 10.052 273 HE ARG 30 HE ARG 30 8.595 1.119 12.210 274 HH11 ARG 30 1HH1 ARG 30 9.215 4.476 11.472 275 HH12 ARG 30 2HH1 ARG 30 8.590 5.060 12.980 276 HH21 ARG 30 1HH2 ARG 30 7.743 1.885 14.197 277 HH22 ARG 30 2HH2 ARG 30 7.743 3.592 14.520 Start of MODEL 10 1 H1 MET 1 1H MET 1 -31.457 -3.130 11.109 2 H2 MET 1 2H MET 1 -32.078 -1.636 10.629 3 H3 MET 1 3H MET 1 -32.206 -2.125 12.241 4 HA MET 1 HA MET 1 -30.471 -0.475 11.967 5 HB2 MET 1 2HB MET 1 -30.309 -2.304 13.681 6 HB3 MET 1 1HB MET 1 -29.329 -3.216 12.540 7 HG2 MET 1 2HG MET 1 -27.626 -1.505 12.582 8 HG3 MET 1 1HG MET 1 -28.621 -0.507 13.640 9 HE1 MET 1 1HE MET 1 -25.616 -1.201 14.345 10 HE2 MET 1 2HE MET 1 -25.760 -1.606 16.054 11 HE3 MET 1 3HE MET 1 -26.672 -0.253 15.391 12 H ALA 2 H ALA 2 -29.884 0.352 10.025 13 HA ALA 2 HA ALA 2 -28.754 -1.329 7.974 14 HB1 ALA 2 1HB ALA 2 -30.273 0.498 7.394 15 HB2 ALA 2 2HB ALA 2 -28.701 0.692 6.619 16 HB3 ALA 2 3HB ALA 2 -29.113 1.664 8.032 17 H THR 3 H THR 3 -26.777 -2.058 8.464 18 HA THR 3 HA THR 3 -24.734 -0.314 9.520 19 HB THR 3 HB THR 3 -24.422 -3.153 8.529 20 HG1 THR 3 HG1 THR 3 -25.629 -3.663 10.186 21 HG21 THR 3 1HG2 THR 3 -22.313 -1.961 8.894 22 HG22 THR 3 2HG2 THR 3 -22.540 -3.224 10.103 23 HG23 THR 3 3HG2 THR 3 -22.828 -1.537 10.525 24 H LYS 4 H LYS 4 -26.035 -0.964 6.588 25 HA LYS 4 HA LYS 4 -23.603 -0.289 5.103 26 HB2 LYS 4 2HB LYS 4 -26.290 -1.302 4.159 27 HB3 LYS 4 1HB LYS 4 -24.996 -0.817 3.074 28 HG2 LYS 4 2HG LYS 4 -23.565 -2.567 3.951 29 HG3 LYS 4 1HG LYS 4 -24.808 -3.025 5.113 30 HD2 LYS 4 2HD LYS 4 -25.138 -3.126 2.116 31 HD3 LYS 4 1HD LYS 4 -24.715 -4.508 3.126 32 HE2 LYS 4 2HE LYS 4 -26.828 -4.187 4.372 33 HE3 LYS 4 1HE LYS 4 -27.255 -2.887 3.262 34 HZ1 LYS 4 1HZ LYS 4 -28.294 -4.979 2.639 35 HZ2 LYS 4 2HZ LYS 4 -26.780 -5.716 2.502 36 HZ3 LYS 4 3HZ LYS 4 -27.213 -4.469 1.446 37 H HIS 5 H HIS 5 -23.440 1.834 5.611 38 HA HIS 5 HA HIS 5 -25.576 3.585 4.596 39 HB2 HIS 5 2HB HIS 5 -25.302 3.412 7.142 40 HB3 HIS 5 1HB HIS 5 -23.774 4.253 6.919 41 HD1 HIS 5 HD1 HIS 5 -27.087 4.953 7.839 42 HD2 HIS 5 HD2 HIS 5 -24.362 6.818 5.312 43 HE1 HIS 5 HE1 HIS 5 -27.881 7.325 7.621 44 HE2 HIS 5 HE2 HIS 5 -26.198 8.451 6.121 45 H GLY 6 H GLY 6 -22.150 3.539 5.579 46 HA2 GLY 6 2HA GLY 6 -21.491 4.900 3.063 47 HA3 GLY 6 1HA GLY 6 -20.958 5.619 4.574 48 H LYS 7 H LYS 7 -20.496 2.968 5.794 49 HA LYS 7 HA LYS 7 -17.782 2.673 4.908 50 HB2 LYS 7 2HB LYS 7 -19.328 1.090 6.967 51 HB3 LYS 7 1HB LYS 7 -17.591 1.034 6.725 52 HG2 LYS 7 2HG LYS 7 -19.145 3.464 7.555 53 HG3 LYS 7 1HG LYS 7 -18.260 2.401 8.646 54 HD2 LYS 7 2HD LYS 7 -16.181 2.931 7.477 55 HD3 LYS 7 1HD LYS 7 -17.068 3.993 6.379 56 HE2 LYS 7 2HE LYS 7 -17.071 4.335 9.357 57 HE3 LYS 7 1HE LYS 7 -15.893 5.120 8.307 58 HZ1 LYS 7 1HZ LYS 7 -17.784 6.554 8.829 59 HZ2 LYS 7 2HZ LYS 7 -18.841 5.447 8.114 60 HZ3 LYS 7 3HZ LYS 7 -17.685 6.242 7.170 61 H ASN 8 H ASN 8 -18.068 1.940 2.777 62 HA ASN 8 HA ASN 8 -18.173 -0.942 2.610 63 HB2 ASN 8 2HB ASN 8 -20.553 -0.290 2.293 64 HB3 ASN 8 1HB ASN 8 -20.073 0.706 0.921 65 HD21 ASN 8 1HD2 ASN 8 -20.850 -2.033 -1.066 66 HD22 ASN 8 2HD2 ASN 8 -21.255 -0.426 -0.572 67 H SER 9 H SER 9 -18.020 2.105 0.815 68 HA SER 9 HA SER 9 -16.666 0.994 -1.418 69 HB2 SER 9 2HB SER 9 -16.860 3.895 -0.600 70 HB3 SER 9 1HB SER 9 -16.511 3.273 -2.214 71 HG SER 9 HG SER 9 -18.728 3.920 -1.883 72 H TRP 10 H TRP 10 -15.552 1.644 1.645 73 HA TRP 10 HA TRP 10 -13.014 2.735 1.084 74 HB2 TRP 10 2HB TRP 10 -12.330 1.802 3.270 75 HB3 TRP 10 1HB TRP 10 -13.759 2.756 3.373 76 HD1 TRP 10 HD1 TRP 10 -16.109 1.359 3.794 77 HE1 TRP 10 HE1 TRP 10 -16.404 -0.937 4.973 78 HE3 TRP 10 HE3 TRP 10 -11.390 -0.229 3.386 79 HZ2 TRP 10 HZ2 TRP 10 -14.707 -3.149 5.631 80 HZ3 TRP 10 HZ3 TRP 10 -10.745 -2.373 4.290 81 HH2 TRP 10 HH2 TRP 10 -12.364 -3.843 5.381 82 H LYS 11 H LYS 11 -14.227 -0.554 0.975 83 HA LYS 11 HA LYS 11 -11.780 -1.903 1.199 84 HB2 LYS 11 2HB LYS 11 -14.386 -2.514 -0.138 85 HB3 LYS 11 1HB LYS 11 -13.005 -3.558 -0.355 86 HG2 LYS 11 2HG LYS 11 -12.928 -4.151 1.903 87 HG3 LYS 11 1HG LYS 11 -13.943 -2.788 2.372 88 HD2 LYS 11 2HD LYS 11 -14.875 -5.127 0.709 89 HD3 LYS 11 1HD LYS 11 -15.117 -4.975 2.450 90 HE2 LYS 11 2HE LYS 11 -16.288 -2.800 1.992 91 HE3 LYS 11 1HE LYS 11 -16.214 -3.201 0.279 92 HZ1 LYS 11 1HZ LYS 11 -18.335 -3.810 1.247 93 HZ2 LYS 11 2HZ LYS 11 -17.562 -4.820 2.367 94 HZ3 LYS 11 3HZ LYS 11 -17.506 -5.184 0.717 95 H THR 12 H THR 12 -13.358 -0.386 -1.476 96 HA THR 12 HA THR 12 -11.603 -1.073 -3.562 97 HB THR 12 HB THR 12 -13.748 0.846 -2.977 98 HG1 THR 12 HG1 THR 12 -13.157 -0.872 -5.164 99 HG21 THR 12 1HG2 THR 12 -11.931 1.334 -5.343 100 HG22 THR 12 2HG2 THR 12 -12.115 2.391 -3.942 101 HG23 THR 12 3HG2 THR 12 -13.475 2.134 -5.034 102 H LEU 13 H LEU 13 -11.519 1.320 -1.048 103 HA LEU 13 HA LEU 13 -9.181 2.732 -2.026 104 HB2 LEU 13 2HB LEU 13 -10.144 4.250 -0.644 105 HB3 LEU 13 1HB LEU 13 -11.195 3.028 0.045 106 HG LEU 13 HG LEU 13 -8.526 2.801 1.124 107 HD11 LEU 13 1HD1 LEU 13 -9.919 5.451 1.466 108 HD12 LEU 13 2HD1 LEU 13 -8.369 5.180 0.670 109 HD13 LEU 13 3HD1 LEU 13 -8.529 4.896 2.402 110 HD21 LEU 13 1HD2 LEU 13 -9.730 2.926 3.255 111 HD22 LEU 13 2HD2 LEU 13 -10.529 1.809 2.145 112 HD23 LEU 13 3HD2 LEU 13 -11.195 3.423 2.405 113 H TYR 14 H TYR 14 -9.964 0.021 -0.109 114 HA TYR 14 HA TYR 14 -7.780 0.249 1.701 115 HB2 TYR 14 2HB TYR 14 -9.987 -0.642 2.333 116 HB3 TYR 14 1HB TYR 14 -9.699 -2.042 1.305 117 HD1 TYR 14 HD1 TYR 14 -8.175 -3.734 1.931 118 HD2 TYR 14 HD2 TYR 14 -8.718 -0.299 4.361 119 HE1 TYR 14 HE1 TYR 14 -6.873 -4.814 3.684 120 HE2 TYR 14 HE2 TYR 14 -7.397 -1.360 6.155 121 HH TYR 14 HH TYR 14 -5.458 -4.047 5.663 122 H LEU 15 H LEU 15 -8.579 -1.936 -0.970 123 HA LEU 15 HA LEU 15 -6.226 -3.497 -0.546 124 HB2 LEU 15 2HB LEU 15 -7.937 -3.425 -3.021 125 HB3 LEU 15 1HB LEU 15 -6.860 -4.703 -2.488 126 HG LEU 15 HG LEU 15 -9.304 -3.880 -0.961 127 HD11 LEU 15 1HD1 LEU 15 -10.363 -5.887 -1.880 128 HD12 LEU 15 2HD1 LEU 15 -8.951 -6.157 -2.904 129 HD13 LEU 15 3HD1 LEU 15 -9.957 -4.730 -3.149 130 HD21 LEU 15 1HD2 LEU 15 -7.553 -4.977 0.342 131 HD22 LEU 15 2HD2 LEU 15 -7.557 -6.326 -0.794 132 HD23 LEU 15 3HD2 LEU 15 -8.983 -5.995 0.189 133 H LYS 16 H LYS 16 -6.994 -0.578 -1.978 134 HA LYS 16 HA LYS 16 -4.703 -0.320 -3.676 135 HB2 LYS 16 2HB LYS 16 -6.672 1.024 -4.133 136 HB3 LYS 16 1HB LYS 16 -6.719 1.597 -2.482 137 HG2 LYS 16 2HG LYS 16 -4.352 2.234 -4.166 138 HG3 LYS 16 1HG LYS 16 -5.853 3.139 -4.373 139 HD2 LYS 16 2HD LYS 16 -5.853 3.574 -1.926 140 HD3 LYS 16 1HD LYS 16 -4.270 2.804 -1.835 141 HE2 LYS 16 2HE LYS 16 -3.988 5.204 -1.937 142 HE3 LYS 16 1HE LYS 16 -3.399 4.479 -3.431 143 HZ1 LYS 16 1HZ LYS 16 -6.041 5.778 -3.074 144 HZ2 LYS 16 2HZ LYS 16 -5.469 5.093 -4.507 145 HZ3 LYS 16 3HZ LYS 16 -4.711 6.459 -3.860 146 H ILE 17 H ILE 17 -5.701 0.550 -0.413 147 HA ILE 17 HA ILE 17 -3.387 1.817 0.469 148 HB ILE 17 HB ILE 17 -5.701 0.461 1.757 149 HG12 ILE 17 2HG1 ILE 17 -4.517 3.228 2.016 150 HG13 ILE 17 1HG1 ILE 17 -5.871 2.781 0.981 151 HG21 ILE 17 1HG2 ILE 17 -4.876 0.786 3.985 152 HG22 ILE 17 2HG2 ILE 17 -3.356 1.438 3.364 153 HG23 ILE 17 3HG2 ILE 17 -3.766 -0.255 3.089 154 HD11 ILE 17 1HD1 ILE 17 -6.640 3.869 3.001 155 HD12 ILE 17 2HD1 ILE 17 -5.815 2.661 3.987 156 HD13 ILE 17 3HD1 ILE 17 -7.172 2.187 2.965 157 H SER 18 H SER 18 -4.409 -1.562 0.620 158 HA SER 18 HA SER 18 -2.136 -2.576 1.938 159 HB2 SER 18 2HB SER 18 -3.875 -4.028 -0.070 160 HB3 SER 18 1HB SER 18 -2.903 -4.751 1.210 161 HG SER 18 HG SER 18 -4.331 -3.252 2.593 162 H PHE 19 H PHE 19 -2.655 -1.535 -1.288 163 HA PHE 19 HA PHE 19 -0.518 -3.125 -2.419 164 HB2 PHE 19 2HB PHE 19 -2.680 -2.547 -3.610 165 HB3 PHE 19 1HB PHE 19 -2.074 -0.901 -3.741 166 HD1 PHE 19 HD1 PHE 19 -1.899 -4.270 -5.007 167 HD2 PHE 19 HD2 PHE 19 -0.065 -0.436 -5.103 168 HE1 PHE 19 HE1 PHE 19 -0.724 -4.890 -7.080 169 HE2 PHE 19 HE2 PHE 19 1.111 -1.044 -7.175 170 HZ PHE 19 HZ PHE 19 0.783 -3.275 -8.167 171 H LEU 20 H LEU 20 -1.204 0.390 -2.250 172 HA LEU 20 HA LEU 20 1.445 1.059 -3.016 173 HB2 LEU 20 2HB LEU 20 -0.867 2.637 -1.974 174 HB3 LEU 20 1HB LEU 20 0.712 3.383 -2.130 175 HG LEU 20 HG LEU 20 0.681 2.681 -4.554 176 HD11 LEU 20 1HD1 LEU 20 -1.055 0.956 -4.278 177 HD12 LEU 20 2HD1 LEU 20 -1.402 2.104 -5.571 178 HD13 LEU 20 3HD1 LEU 20 -2.241 2.235 -4.026 179 HD21 LEU 20 1HD2 LEU 20 0.268 4.971 -3.901 180 HD22 LEU 20 2HD2 LEU 20 -1.425 4.602 -3.583 181 HD23 LEU 20 3HD2 LEU 20 -0.802 4.522 -5.229 182 H GLY 21 H GLY 21 -0.151 0.713 0.105 183 HA2 GLY 21 2HA GLY 21 1.966 1.785 1.656 184 HA3 GLY 21 1HA GLY 21 0.753 0.644 2.226 185 H CYS 22 H CYS 22 1.692 -1.068 -0.155 186 HA CYS 22 HA CYS 22 3.761 -2.499 1.281 187 HB2 CYS 22 2HB CYS 22 1.850 -3.704 0.260 188 HB3 CYS 22 1HB CYS 22 2.372 -3.163 -1.329 189 HG CYS 22 HG CYS 22 3.551 -5.650 0.593 190 H LYS 23 H LYS 23 3.384 -0.421 -1.504 191 HA LYS 23 HA LYS 23 6.086 -0.984 -2.421 192 HB2 LYS 23 2HB LYS 23 4.066 1.024 -3.424 193 HB3 LYS 23 1HB LYS 23 5.594 0.638 -4.201 194 HG2 LYS 23 2HG LYS 23 4.835 -1.653 -4.568 195 HG3 LYS 23 1HG LYS 23 3.304 -1.272 -3.779 196 HD2 LYS 23 2HD LYS 23 3.024 -1.196 -6.177 197 HD3 LYS 23 1HD LYS 23 2.870 0.429 -5.514 198 HE2 LYS 23 2HE LYS 23 5.124 0.966 -6.196 199 HE3 LYS 23 1HE LYS 23 5.385 -0.688 -6.748 200 HZ1 LYS 23 1HZ LYS 23 3.761 -0.382 -8.461 201 HZ2 LYS 23 2HZ LYS 23 4.872 0.890 -8.553 202 HZ3 LYS 23 3HZ LYS 23 3.347 1.149 -7.877 203 H VAL 24 H VAL 24 4.314 1.505 -0.744 204 HA VAL 24 HA VAL 24 6.645 3.206 -0.599 205 HB VAL 24 HB VAL 24 3.900 3.506 0.609 206 HG11 VAL 24 1HG1 VAL 24 4.422 5.790 1.063 207 HG12 VAL 24 2HG1 VAL 24 6.014 5.604 0.339 208 HG13 VAL 24 3HG1 VAL 24 5.630 4.768 1.840 209 HG21 VAL 24 1HG2 VAL 24 3.622 5.191 -1.192 210 HG22 VAL 24 2HG2 VAL 24 3.800 3.534 -1.771 211 HG23 VAL 24 3HG2 VAL 24 5.167 4.648 -1.854 212 H VAL 25 H VAL 25 6.044 0.413 0.800 213 HA VAL 25 HA VAL 25 7.246 1.132 3.360 214 HB VAL 25 HB VAL 25 5.620 -0.873 2.840 215 HG11 VAL 25 1HG1 VAL 25 6.842 -2.995 2.525 216 HG12 VAL 25 2HG1 VAL 25 8.308 -2.063 2.206 217 HG13 VAL 25 3HG1 VAL 25 6.924 -1.927 1.121 218 HG21 VAL 25 1HG2 VAL 25 8.007 -1.151 4.648 219 HG22 VAL 25 2HG2 VAL 25 6.519 -2.095 4.755 220 HG23 VAL 25 3HG2 VAL 25 6.483 -0.355 5.039 221 H VAL 26 H VAL 26 7.991 0.141 0.182 222 HA VAL 26 HA VAL 26 10.564 -0.983 0.592 223 HB VAL 26 HB VAL 26 9.300 0.138 -1.902 224 HG11 VAL 26 1HG1 VAL 26 11.616 -1.772 -1.584 225 HG12 VAL 26 2HG1 VAL 26 11.714 -0.096 -2.122 226 HG13 VAL 26 3HG1 VAL 26 10.884 -1.296 -3.113 227 HG21 VAL 26 1HG2 VAL 26 9.326 -2.695 -0.857 228 HG22 VAL 26 2HG2 VAL 26 8.699 -2.190 -2.426 229 HG23 VAL 26 3HG2 VAL 26 7.927 -1.624 -0.944 230 H LEU 27 H LEU 27 9.371 2.035 -0.679 231 HA LEU 27 HA LEU 27 11.866 3.080 -1.292 232 HB2 LEU 27 2HB LEU 27 10.794 5.067 -1.915 233 HB3 LEU 27 1HB LEU 27 9.692 3.763 -2.284 234 HG LEU 27 HG LEU 27 9.367 6.046 -0.461 235 HD11 LEU 27 1HD1 LEU 27 7.506 4.289 -2.046 236 HD12 LEU 27 2HD1 LEU 27 8.142 5.862 -2.534 237 HD13 LEU 27 3HD1 LEU 27 7.030 5.741 -1.170 238 HD21 LEU 27 1HD2 LEU 27 9.366 4.362 1.211 239 HD22 LEU 27 2HD2 LEU 27 8.350 3.307 0.237 240 HD23 LEU 27 3HD2 LEU 27 7.691 4.810 0.894 241 H LEU 28 H LEU 28 10.307 2.835 1.751 242 HA LEU 28 HA LEU 28 12.063 4.857 2.957 243 HB2 LEU 28 2HB LEU 28 10.073 3.050 4.334 244 HB3 LEU 28 1HB LEU 28 10.894 4.427 5.036 245 HG LEU 28 HG LEU 28 8.794 4.502 2.888 246 HD11 LEU 28 1HD1 LEU 28 7.450 5.625 4.587 247 HD12 LEU 28 2HD1 LEU 28 8.751 5.410 5.757 248 HD13 LEU 28 3HD1 LEU 28 7.918 4.003 5.097 249 HD21 LEU 28 1HD2 LEU 28 10.432 6.265 2.524 250 HD22 LEU 28 2HD2 LEU 28 10.294 6.762 4.211 251 HD23 LEU 28 3HD2 LEU 28 8.918 6.945 3.122 252 H LYS 29 H LYS 29 11.751 1.530 2.407 253 HA LYS 29 HA LYS 29 12.985 -0.308 2.892 254 HB2 LYS 29 2HB LYS 29 14.977 1.692 3.984 255 HB3 LYS 29 1HB LYS 29 15.293 -0.026 3.787 256 HG2 LYS 29 2HG LYS 29 14.600 1.858 1.543 257 HG3 LYS 29 1HG LYS 29 16.237 1.379 1.984 258 HD2 LYS 29 2HD LYS 29 14.058 -0.533 1.145 259 HD3 LYS 29 1HD LYS 29 15.307 0.097 0.071 260 HE2 LYS 29 2HE LYS 29 17.028 -0.918 1.494 261 HE3 LYS 29 1HE LYS 29 15.771 -1.560 2.550 262 HZ1 LYS 29 1HZ LYS 29 14.914 -2.817 0.641 263 HZ2 LYS 29 2HZ LYS 29 16.500 -3.248 1.027 264 HZ3 LYS 29 3HZ LYS 29 16.196 -2.253 -0.304 265 H ARG 30 H ARG 30 10.983 0.647 4.606 266 HA ARG 30 HA ARG 30 10.034 0.347 6.627 267 HB2 ARG 30 2HB ARG 30 12.205 -1.698 6.711 268 HB3 ARG 30 1HB ARG 30 11.233 -1.407 8.148 269 HG2 ARG 30 2HG ARG 30 10.155 -3.176 7.117 270 HG3 ARG 30 1HG ARG 30 9.216 -1.779 6.588 271 HD2 ARG 30 2HD ARG 30 9.574 -3.188 4.693 272 HD3 ARG 30 1HD ARG 30 10.578 -1.756 4.497 273 HE ARG 30 HE ARG 30 12.461 -3.152 5.297 274 HH11 ARG 30 1HH1 ARG 30 9.627 -4.734 3.976 275 HH12 ARG 30 2HH1 ARG 30 10.500 -6.141 3.468 276 HH21 ARG 30 1HH2 ARG 30 13.600 -5.013 4.645 277 HH22 ARG 30 2HH2 ARG 30 12.755 -6.301 3.845
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