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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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5121 |
1gh1 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 -2.636 5.398 15.135 2 2H ILE 1 HT2 ILE 1 -3.683 6.730 14.825 3 3H ILE 1 HT3 ILE 1 -2.086 7.011 15.265 4 HA ILE 1 HA ILE 1 -1.698 7.209 13.089 5 HB ILE 1 HB ILE 1 -2.446 4.215 12.885 6 1HG1 ILE 1 HG1 ILE 1 0.250 5.489 13.695 7 2HG1 ILE 1 HG1 ILE 1 -0.804 4.694 14.842 8 1HG2 ILE 1 HG2 ILE 1 -0.790 4.196 11.094 9 2HG2 ILE 1 HG2 ILE 1 -0.406 5.918 11.398 10 3HG2 ILE 1 HG2 ILE 1 -2.018 5.434 10.770 11 1HD1 ILE 1 HD1 ILE 1 -0.559 2.551 13.542 12 2HD1 ILE 1 HD1 ILE 1 0.977 3.179 14.212 13 3HD1 ILE 1 HD1 ILE 1 0.613 3.396 12.485 14 H ASP 2 HN ASP 2 -3.480 8.604 12.671 15 HA ASP 2 HA ASP 2 -5.972 7.324 11.729 16 1HB ASP 2 HB2 ASP 2 -5.206 10.165 12.592 17 2HB ASP 2 HB1 ASP 2 -6.829 9.613 12.227 18 H CYS 3 HN CYS 3 -3.887 6.861 10.101 19 HA CYS 3 HA CYS 3 -3.131 7.058 7.857 20 1HB CYS 3 HB2 CYS 3 -5.641 6.515 7.872 21 2HB CYS 3 HB1 CYS 3 -5.887 8.202 7.476 22 H GLY 4 HN GLY 4 -1.855 8.893 8.992 23 1HA GLY 4 HA2 GLY 4 -2.320 11.491 7.544 24 2HA GLY 4 HA1 GLY 4 -1.573 11.402 9.135 25 H HIS 5 HN HIS 5 0.183 9.316 8.784 26 HA HIS 5 HA HIS 5 2.150 10.522 6.897 27 1HB HIS 5 HB2 HIS 5 2.876 10.121 9.320 28 2HB HIS 5 HB1 HIS 5 2.665 8.394 9.043 29 HD1 HIS 5 HD1 HIS 5 5.346 8.385 9.474 30 HD2 HIS 5 HD2 HIS 5 4.216 10.131 5.958 31 HE1 HIS 5 HE1 HIS 5 7.370 8.510 8.062 32 H VAL 6 HN VAL 6 0.422 7.530 7.541 33 HA VAL 6 HA VAL 6 1.858 5.767 5.850 34 HB VAL 6 HB VAL 6 -1.159 5.802 6.292 35 1HG1 VAL 6 HG1 VAL 6 -0.570 4.531 4.363 36 2HG1 VAL 6 HG1 VAL 6 -0.902 3.388 5.688 37 3HG1 VAL 6 HG1 VAL 6 0.782 3.737 5.233 38 1HG2 VAL 6 HG2 VAL 6 -0.758 4.102 7.998 39 2HG2 VAL 6 HG2 VAL 6 0.045 5.638 8.428 40 3HG2 VAL 6 HG2 VAL 6 1.009 4.295 7.760 41 H ASP 7 HN ASP 7 -0.584 8.172 5.084 42 HA ASP 7 HA ASP 7 -1.156 7.423 2.448 43 1HB ASP 7 HB2 ASP 7 -1.087 10.056 3.934 44 2HB ASP 7 HB1 ASP 7 -1.538 10.056 2.245 45 H SER 8 HN SER 8 1.274 9.767 3.440 46 HA SER 8 HA SER 8 2.434 10.088 0.823 47 1HB SER 8 HB2 SER 8 2.745 11.751 2.702 48 2HB SER 8 HB1 SER 8 3.764 10.576 3.543 49 HG SER 8 HG SER 8 4.350 12.176 1.400 50 H LEU 9 HN LEU 9 2.850 7.538 3.238 51 HA LEU 9 HA LEU 9 5.405 6.703 2.286 52 1HB LEU 9 HB2 LEU 9 3.195 5.724 4.114 53 2HB LEU 9 HB1 LEU 9 4.472 4.660 3.698 54 HG LEU 9 HG LEU 9 5.080 7.488 4.717 55 1HD1 LEU 9 HD1 LEU 9 4.629 5.032 6.432 56 2HD1 LEU 9 HD1 LEU 9 3.616 6.503 6.388 57 3HD1 LEU 9 HD1 LEU 9 5.295 6.607 6.971 58 1HD2 LEU 9 HD2 LEU 9 6.922 6.119 3.760 59 2HD2 LEU 9 HD2 LEU 9 6.562 4.859 4.977 60 3HD2 LEU 9 HD2 LEU 9 7.154 6.465 5.498 61 H VAL 10 HN VAL 10 2.057 5.548 1.677 62 HA VAL 10 HA VAL 10 3.067 3.654 -0.303 63 HB VAL 10 HB VAL 10 0.199 4.401 0.144 64 1HG1 VAL 10 HG1 VAL 10 0.737 2.827 -1.587 65 2HG1 VAL 10 HG1 VAL 10 -0.146 2.012 -0.262 66 3HG1 VAL 10 HG1 VAL 10 1.631 1.839 -0.386 67 1HG2 VAL 10 HG2 VAL 10 1.104 4.098 2.438 68 2HG2 VAL 10 HG2 VAL 10 1.839 2.549 1.930 69 3HG2 VAL 10 HG2 VAL 10 0.053 2.735 1.996 70 H ARG 11 HN ARG 11 2.032 6.943 -0.250 71 HA ARG 11 HA ARG 11 0.794 7.234 -2.732 72 1HB ARG 11 HB2 ARG 11 1.648 8.989 -0.742 73 2HB ARG 11 HB1 ARG 11 2.791 9.357 -2.001 74 1HG ARG 11 HG2 ARG 11 0.795 10.862 -2.007 75 2HG ARG 11 HG1 ARG 11 1.028 10.031 -3.531 76 1HD ARG 11 HD2 ARG 11 -0.990 8.946 -3.392 77 2HD ARG 11 HD1 ARG 11 -0.774 8.494 -1.712 78 HE ARG 11 HE ARG 11 -1.615 11.287 -2.445 79 1HH1 ARG 11 HH2 ARG 11 -1.327 9.926 0.312 80 2HH1 ARG 11 HH2 ARG 11 -2.963 9.631 0.786 81 1HH2 ARG 11 HH1 ARG 11 -4.040 10.325 -2.555 82 2HH2 ARG 11 HH1 ARG 11 -4.623 9.951 -0.979 83 HA PRO 12 HA PRO 12 5.080 7.629 -4.922 84 1HB PRO 12 HB2 PRO 12 7.127 6.151 -3.781 85 2HB PRO 12 HB1 PRO 12 6.888 7.872 -3.460 86 1HG PRO 12 HG2 PRO 12 5.858 5.466 -1.851 87 2HG PRO 12 HG1 PRO 12 6.751 6.866 -1.252 88 1HD PRO 12 HD2 PRO 12 4.119 6.857 -1.018 89 2HD PRO 12 HD1 PRO 12 4.857 8.349 -1.583 90 H CYS 13 HN CYS 13 3.807 4.559 -3.395 91 HA CYS 13 HA CYS 13 4.926 2.990 -5.481 92 1HB CYS 13 HB2 CYS 13 2.878 2.600 -3.326 93 2HB CYS 13 HB1 CYS 13 3.332 1.482 -4.483 94 H LEU 14 HN LEU 14 2.116 4.943 -5.086 95 HA LEU 14 HA LEU 14 0.352 3.641 -6.942 96 1HB LEU 14 HB2 LEU 14 0.645 6.503 -6.055 97 2HB LEU 14 HB1 LEU 14 -0.453 6.146 -7.354 98 HG LEU 14 HG LEU 14 -0.698 4.760 -4.655 99 1HD1 LEU 14 HD1 LEU 14 -2.425 6.459 -4.221 100 2HD1 LEU 14 HD1 LEU 14 -2.073 7.237 -5.795 101 3HD1 LEU 14 HD1 LEU 14 -0.835 7.217 -4.503 102 1HD2 LEU 14 HD2 LEU 14 -2.980 4.397 -5.504 103 2HD2 LEU 14 HD2 LEU 14 -1.796 3.758 -6.688 104 3HD2 LEU 14 HD2 LEU 14 -2.604 5.320 -6.988 105 H SER 15 HN SER 15 2.997 5.878 -7.408 106 HA SER 15 HA SER 15 2.527 6.734 -10.039 107 1HB SER 15 HB2 SER 15 5.179 6.107 -8.633 108 2HB SER 15 HB1 SER 15 4.986 7.157 -10.054 109 HG SER 15 HG SER 15 4.113 8.610 -8.817 110 H TYR 16 HN TYR 16 3.393 3.590 -8.970 111 HA TYR 16 HA TYR 16 4.170 2.769 -11.729 112 1HB TYR 16 HB2 TYR 16 5.564 1.980 -9.878 113 2HB TYR 16 HB1 TYR 16 4.202 1.281 -9.071 114 HD1 TYR 16 HD1 TYR 16 5.064 -0.975 -9.034 115 HD2 TYR 16 HD2 TYR 16 4.672 1.030 -12.779 116 HE1 TYR 16 HE1 TYR 16 5.362 -3.108 -10.218 117 HE2 TYR 16 HE2 TYR 16 4.964 -1.073 -13.931 118 HH TYR 16 HH TYR 16 4.441 -3.458 -13.312 119 H VAL 17 HN VAL 17 1.953 2.073 -9.200 120 HA VAL 17 HA VAL 17 0.327 0.076 -10.374 121 HB VAL 17 HB VAL 17 -0.757 2.344 -8.668 122 1HG1 VAL 17 HG1 VAL 17 -2.388 0.596 -7.955 123 2HG1 VAL 17 HG1 VAL 17 -1.627 -0.500 -9.157 124 3HG1 VAL 17 HG1 VAL 17 -2.488 0.964 -9.699 125 1HG2 VAL 17 HG2 VAL 17 1.174 1.365 -7.615 126 2HG2 VAL 17 HG2 VAL 17 0.537 -0.261 -7.965 127 3HG2 VAL 17 HG2 VAL 17 -0.281 0.802 -6.758 128 H GLN 18 HN GLN 18 0.205 3.611 -10.998 129 HA GLN 18 HA GLN 18 -2.222 3.625 -12.370 130 1HB GLN 18 HB2 GLN 18 -1.487 5.762 -12.978 131 2HB GLN 18 HB1 GLN 18 -0.886 5.537 -11.374 132 1HG GLN 18 HG2 GLN 18 1.365 4.940 -12.342 133 2HG GLN 18 HG1 GLN 18 0.753 5.301 -13.942 134 1HE2 GLN 18 HE2 GLN 18 -0.796 7.628 -12.136 135 2HE2 GLN 18 HE2 GLN 18 0.404 8.820 -12.220 136 H GLY 19 HN GLY 19 0.886 2.481 -13.348 137 1HA GLY 19 HA2 GLY 19 1.102 1.031 -15.275 138 2HA GLY 19 HA1 GLY 19 -0.194 1.896 -16.082 139 H GLY 20 HN GLY 20 2.589 3.181 -14.363 140 1HA GLY 20 HA2 GLY 20 3.776 4.156 -16.946 141 2HA GLY 20 HA1 GLY 20 3.501 5.281 -15.608 142 HA PRO 21 HA PRO 21 7.697 3.360 -15.135 143 1HB PRO 21 HB2 PRO 21 9.200 5.630 -15.078 144 2HB PRO 21 HB1 PRO 21 8.666 4.934 -16.613 145 1HG PRO 21 HG2 PRO 21 7.273 7.132 -14.976 146 2HG PRO 21 HG1 PRO 21 7.772 7.220 -16.672 147 1HD PRO 21 HD2 PRO 21 5.224 6.523 -16.025 148 2HD PRO 21 HD1 PRO 21 6.030 5.661 -17.361 149 H GLY 22 HN GLY 22 8.351 2.869 -13.026 150 1HA GLY 22 HA2 GLY 22 8.696 4.524 -10.867 151 2HA GLY 22 HA1 GLY 22 6.963 4.158 -10.864 152 HA PRO 23 HA PRO 23 6.403 3.812 -8.982 153 1HB PRO 23 HB2 PRO 23 6.674 3.277 -6.395 154 2HB PRO 23 HB1 PRO 23 5.671 2.275 -7.441 155 1HG PRO 23 HG2 PRO 23 8.540 1.743 -6.469 156 2HG PRO 23 HG1 PRO 23 7.194 0.633 -6.546 157 1HD PRO 23 HD2 PRO 23 9.115 0.762 -8.535 158 2HD PRO 23 HD1 PRO 23 7.428 0.293 -8.876 159 H SER 24 HN SER 24 9.336 3.208 -7.086 160 HA SER 24 HA SER 24 10.878 5.481 -7.698 161 1HB SER 24 HB2 SER 24 10.300 6.995 -5.720 162 2HB SER 24 HB1 SER 24 8.952 6.900 -6.861 163 HG SER 24 HG SER 24 8.027 5.347 -5.664 164 H GLY 25 HN GLY 25 12.601 5.868 -6.137 165 1HA GLY 25 HA2 GLY 25 13.386 3.386 -4.850 166 2HA GLY 25 HA1 GLY 25 14.254 4.924 -4.723 167 H GLN 26 HN GLN 26 11.225 5.725 -4.024 168 HA GLN 26 HA GLN 26 11.657 5.604 -1.064 169 1HB GLN 26 HB2 GLN 26 9.410 7.005 -2.607 170 2HB GLN 26 HB1 GLN 26 9.856 7.296 -0.950 171 1HG GLN 26 HG2 GLN 26 11.812 7.873 -3.185 172 2HG GLN 26 HG1 GLN 26 10.577 9.056 -2.806 173 1HE2 GLN 26 HE2 GLN 26 10.910 10.326 -0.769 174 2HE2 GLN 26 HE2 GLN 26 12.324 10.063 0.146 175 H CYS 27 HN CYS 27 9.568 4.373 -3.626 176 HA CYS 27 HA CYS 27 7.386 3.495 -2.044 177 1HB CYS 27 HB2 CYS 27 7.340 3.462 -4.459 178 2HB CYS 27 HB1 CYS 27 8.666 2.326 -4.502 179 H CYS 28 HN CYS 28 10.435 1.817 -2.759 180 HA CYS 28 HA CYS 28 9.617 -0.462 -1.152 181 1HB CYS 28 HB2 CYS 28 12.387 0.326 -2.232 182 2HB CYS 28 HB1 CYS 28 11.849 -1.301 -1.869 183 H ASP 29 HN ASP 29 12.060 2.078 -0.622 184 HA ASP 29 HA ASP 29 12.648 1.229 2.062 185 1HB ASP 29 HB2 ASP 29 13.455 3.376 0.208 186 2HB ASP 29 HB1 ASP 29 13.136 4.092 1.760 187 H GLY 30 HN GLY 30 10.548 3.670 0.753 188 1HA GLY 30 HA2 GLY 30 9.508 4.754 3.161 189 2HA GLY 30 HA1 GLY 30 8.686 4.806 1.614 190 H VAL 31 HN VAL 31 8.063 2.217 1.074 191 HA VAL 31 HA VAL 31 5.926 1.815 3.008 192 HB VAL 31 HB VAL 31 6.793 0.182 0.558 193 1HG1 VAL 31 HG1 VAL 31 4.426 -0.517 0.499 194 2HG1 VAL 31 HG1 VAL 31 4.118 0.366 2.027 195 3HG1 VAL 31 HG1 VAL 31 5.231 -1.030 2.011 196 1HG2 VAL 31 HG2 VAL 31 4.739 2.413 0.917 197 2HG2 VAL 31 HG2 VAL 31 5.027 1.452 -0.567 198 3HG2 VAL 31 HG2 VAL 31 6.288 2.559 0.041 199 H LYS 32 HN LYS 32 9.012 0.088 2.336 200 HA LYS 32 HA LYS 32 8.470 -2.151 3.986 201 1HB LYS 32 HB2 LYS 32 10.444 -1.897 2.375 202 2HB LYS 32 HB1 LYS 32 11.148 -0.735 3.483 203 1HG LYS 32 HG2 LYS 32 11.214 -2.507 5.250 204 2HG LYS 32 HG1 LYS 32 10.525 -3.647 4.102 205 1HD LYS 32 HD2 LYS 32 12.492 -3.170 2.549 206 2HD LYS 32 HD1 LYS 32 13.238 -2.224 3.806 207 1HE LYS 32 HE2 LYS 32 12.567 -5.222 4.006 208 2HE LYS 32 HE1 LYS 32 14.152 -4.568 3.659 209 1HZ LYS 32 HZ1 LYS 32 13.240 -3.337 6.008 210 2HZ LYS 32 HZ2 LYS 32 14.537 -4.420 5.809 211 3HZ LYS 32 HZ3 LYS 32 12.986 -4.997 6.193 212 H ASN 33 HN ASN 33 9.785 1.078 4.643 213 HA ASN 33 HA ASN 33 10.432 0.624 7.361 214 1HB ASN 33 HB2 ASN 33 9.738 3.062 5.672 215 2HB ASN 33 HB1 ASN 33 9.820 3.258 7.411 216 1HD2 ASN 33 HD2 ASN 33 11.752 3.476 4.708 217 2HD2 ASN 33 HD2 ASN 33 13.266 3.209 5.421 218 H LEU 34 HN LEU 34 7.445 2.101 6.128 219 HA LEU 34 HA LEU 34 6.069 2.174 8.593 220 1HB LEU 34 HB2 LEU 34 5.171 3.219 6.581 221 2HB LEU 34 HB1 LEU 34 4.989 1.673 5.796 222 HG LEU 34 HG LEU 34 3.304 0.941 7.507 223 1HD1 LEU 34 HD1 LEU 34 2.392 2.523 9.092 224 2HD1 LEU 34 HD1 LEU 34 3.604 3.750 8.595 225 3HD1 LEU 34 HD1 LEU 34 4.112 2.234 9.411 226 1HD2 LEU 34 HD2 LEU 34 2.588 2.002 5.436 227 2HD2 LEU 34 HD2 LEU 34 2.677 3.592 6.248 228 3HD2 LEU 34 HD2 LEU 34 1.514 2.349 6.821 229 H HIS 35 HN HIS 35 5.956 -0.359 6.084 230 HA HIS 35 HA HIS 35 4.335 -2.234 7.319 231 1HB HIS 35 HB2 HIS 35 5.102 -2.595 5.160 232 2HB HIS 35 HB1 HIS 35 6.780 -2.462 5.524 233 HD1 HIS 35 HD1 HIS 35 7.464 -4.440 7.377 234 HD2 HIS 35 HD2 HIS 35 4.296 -5.203 4.916 235 HE1 HIS 35 HE1 HIS 35 7.137 -6.927 7.366 236 H ASN 36 HN ASN 36 7.821 -2.071 7.572 237 HA ASN 36 HA ASN 36 8.273 -4.068 9.537 238 1HB ASN 36 HB2 ASN 36 10.070 -2.694 8.189 239 2HB ASN 36 HB1 ASN 36 9.795 -1.430 9.348 240 1HD2 ASN 36 HD2 ASN 36 11.268 -1.451 11.052 241 2HD2 ASN 36 HD2 ASN 36 12.062 -2.842 11.633 242 H GLN 37 HN GLN 37 7.668 -0.621 10.019 243 HA GLN 37 HA GLN 37 7.727 -0.754 12.904 244 1HB GLN 37 HB2 GLN 37 6.522 1.266 10.962 245 2HB GLN 37 HB1 GLN 37 6.579 1.538 12.688 246 1HG GLN 37 HG2 GLN 37 9.079 1.320 12.644 247 2HG GLN 37 HG1 GLN 37 9.018 0.987 10.922 248 1HE2 GLN 37 HE2 GLN 37 9.393 3.525 13.140 249 2HE2 GLN 37 HE2 GLN 37 9.042 4.801 12.073 250 H ALA 38 HN ALA 38 5.243 -1.287 10.574 251 HA ALA 38 HA ALA 38 2.993 -1.098 12.371 252 1HB ALA 38 HB1 ALA 38 1.767 -2.299 10.581 253 2HB ALA 38 HB2 ALA 38 3.331 -2.685 9.811 254 3HB ALA 38 HB3 ALA 38 2.790 -0.981 9.939 255 H ARG 39 HN ARG 39 3.937 -2.255 14.163 256 HA ARG 39 HA ARG 39 4.005 -5.235 13.874 257 1HB ARG 39 HB2 ARG 39 5.555 -3.390 15.277 258 2HB ARG 39 HB1 ARG 39 4.598 -4.126 16.548 259 1HG ARG 39 HG2 ARG 39 5.250 -6.395 15.741 260 2HG ARG 39 HG1 ARG 39 6.255 -5.640 14.503 261 1HD ARG 39 HD2 ARG 39 7.639 -4.552 16.285 262 2HD ARG 39 HD1 ARG 39 6.628 -5.296 17.523 263 HE ARG 39 HE ARG 39 7.357 -7.531 16.534 264 1HH1 ARG 39 HH1 ARG 39 8.700 -6.653 14.196 265 2HH1 ARG 39 HH1 ARG 39 10.372 -6.579 14.610 266 1HH2 ARG 39 HH2 ARG 39 9.537 -6.517 18.071 267 2HH2 ARG 39 HH2 ARG 39 10.880 -6.457 16.998 268 H SER 40 HN SER 40 1.716 -3.020 14.490 269 HA SER 40 HA SER 40 0.234 -4.895 16.316 270 1HB SER 40 HB2 SER 40 0.642 -2.754 17.511 271 2HB SER 40 HB1 SER 40 -0.010 -1.844 16.143 272 HG SER 40 HG SER 40 -1.321 -3.151 18.126 273 H GLN 41 HN GLN 41 -2.099 -4.963 15.965 274 HA GLN 41 HA GLN 41 -2.786 -5.292 13.213 275 1HB GLN 41 HB2 GLN 41 -3.941 -6.387 15.244 276 2HB GLN 41 HB1 GLN 41 -4.717 -4.836 15.536 277 1HG GLN 41 HG2 GLN 41 -5.652 -4.957 13.171 278 2HG GLN 41 HG1 GLN 41 -5.037 -6.602 13.070 279 1HE2 GLN 41 HE2 GLN 41 -6.994 -7.875 13.274 280 2HE2 GLN 41 HE2 GLN 41 -8.030 -7.689 14.612 281 H SER 42 HN SER 42 -3.147 -2.684 15.438 282 HA SER 42 HA SER 42 -4.880 -0.939 14.135 283 1HB SER 42 HB2 SER 42 -2.486 0.229 15.593 284 2HB SER 42 HB1 SER 42 -4.213 0.491 15.860 285 HG SER 42 HG SER 42 -2.606 -1.673 16.841 286 H ASP 43 HN ASP 43 -1.309 -1.103 13.814 287 HA ASP 43 HA ASP 43 -1.321 1.004 11.852 288 1HB ASP 43 HB2 ASP 43 0.783 0.158 13.318 289 2HB ASP 43 HB1 ASP 43 0.920 -1.007 12.044 290 H ARG 44 HN ARG 44 -1.945 -2.332 11.660 291 HA ARG 44 HA ARG 44 -1.348 -2.466 8.767 292 1HB ARG 44 HB2 ARG 44 -2.229 -4.495 10.850 293 2HB ARG 44 HB1 ARG 44 -2.827 -4.765 9.241 294 1HG ARG 44 HG2 ARG 44 -0.833 -5.859 8.832 295 2HG ARG 44 HG1 ARG 44 -0.139 -4.274 8.674 296 1HD ARG 44 HD2 ARG 44 1.237 -4.757 10.397 297 2HD ARG 44 HD1 ARG 44 -0.145 -4.823 11.487 298 HE ARG 44 HE ARG 44 -0.362 -7.326 10.620 299 1HH1 ARG 44 HH2 ARG 44 2.182 -5.706 12.065 300 2HH1 ARG 44 HH2 ARG 44 3.354 -6.945 11.926 301 1HH2 ARG 44 HH1 ARG 44 1.202 -8.819 9.808 302 2HH2 ARG 44 HH1 ARG 44 2.795 -8.837 10.457 303 H GLN 45 HN GLN 45 -4.163 -2.239 10.922 304 HA GLN 45 HA GLN 45 -6.111 -2.297 8.792 305 1HB GLN 45 HB2 GLN 45 -5.969 -2.024 11.735 306 2HB GLN 45 HB1 GLN 45 -7.200 -1.024 11.054 307 1HG GLN 45 HG2 GLN 45 -8.238 -2.988 9.958 308 2HG GLN 45 HG1 GLN 45 -6.867 -3.993 10.422 309 1HE2 GLN 45 HE2 GLN 45 -7.421 -5.267 12.140 310 2HE2 GLN 45 HE2 GLN 45 -8.399 -4.765 13.450 311 H SER 46 HN SER 46 -4.571 0.289 10.675 312 HA SER 46 HA SER 46 -6.035 2.447 9.507 313 1HB SER 46 HB2 SER 46 -3.169 2.464 10.576 314 2HB SER 46 HB1 SER 46 -4.231 3.870 10.356 315 HG SER 46 HG SER 46 -4.504 1.672 12.030 316 H ALA 47 HN ALA 47 -2.804 1.206 8.582 317 HA ALA 47 HA ALA 47 -2.552 2.891 6.342 318 1HB ALA 47 HB1 ALA 47 -1.587 0.029 6.745 319 2HB ALA 47 HB2 ALA 47 -0.707 1.476 7.310 320 3HB ALA 47 HB3 ALA 47 -0.876 1.157 5.553 321 H CYS 48 HN CYS 48 -4.112 -0.234 6.538 322 HA CYS 48 HA CYS 48 -4.620 -0.629 3.786 323 1HB CYS 48 HB2 CYS 48 -5.108 -2.180 5.735 324 2HB CYS 48 HB1 CYS 48 -6.509 -1.205 6.073 325 H ASN 49 HN ASN 49 -6.403 1.213 6.195 326 HA ASN 49 HA ASN 49 -8.586 2.005 4.505 327 1HB ASN 49 HB2 ASN 49 -7.366 3.335 6.971 328 2HB ASN 49 HB1 ASN 49 -8.866 3.876 6.239 329 1HD2 ASN 49 HD2 ASN 49 -7.626 1.543 8.313 330 2HD2 ASN 49 HD2 ASN 49 -9.129 0.730 8.394 331 H CYS 50 HN CYS 50 -5.434 3.439 4.943 332 HA CYS 50 HA CYS 50 -5.844 5.849 3.494 333 1HB CYS 50 HB2 CYS 50 -3.300 4.174 3.659 334 2HB CYS 50 HB1 CYS 50 -3.410 5.891 3.343 335 H LEU 51 HN LEU 51 -4.332 2.923 2.274 336 HA LEU 51 HA LEU 51 -4.363 3.720 -0.483 337 1HB LEU 51 HB2 LEU 51 -4.074 1.175 -0.898 338 2HB LEU 51 HB1 LEU 51 -2.862 1.943 0.095 339 HG LEU 51 HG LEU 51 -4.397 1.031 2.120 340 1HD1 LEU 51 HD1 LEU 51 -4.994 -0.986 -0.054 341 2HD1 LEU 51 HD1 LEU 51 -6.207 0.111 0.661 342 3HD1 LEU 51 HD1 LEU 51 -5.396 -1.105 1.687 343 1HD2 LEU 51 HD2 LEU 51 -3.059 -1.004 2.130 344 2HD2 LEU 51 HD2 LEU 51 -2.110 0.449 1.704 345 3HD2 LEU 51 HD2 LEU 51 -2.609 -0.697 0.424 346 H LYS 52 HN LYS 52 -6.780 1.933 1.482 347 HA LYS 52 HA LYS 52 -8.507 1.276 -0.639 348 1HB LYS 52 HB2 LYS 52 -8.787 1.619 2.335 349 2HB LYS 52 HB1 LYS 52 -10.280 1.714 1.422 350 1HG LYS 52 HG2 LYS 52 -9.509 -0.507 0.260 351 2HG LYS 52 HG1 LYS 52 -8.267 -0.592 1.498 352 1HD LYS 52 HD2 LYS 52 -9.817 -0.872 3.252 353 2HD LYS 52 HD1 LYS 52 -11.158 -0.201 2.328 354 1HE LYS 52 HE2 LYS 52 -11.006 -2.280 0.799 355 2HE LYS 52 HE1 LYS 52 -9.863 -2.947 1.955 356 1HZ LYS 52 HZ1 LYS 52 -12.677 -2.933 2.090 357 2HZ LYS 52 HZ2 LYS 52 -12.091 -2.077 3.422 358 3HZ LYS 52 HZ3 LYS 52 -11.546 -3.657 3.137 359 H GLY 53 HN GLY 53 -8.787 4.160 1.475 360 1HA GLY 53 HA2 GLY 53 -10.938 5.367 0.080 361 2HA GLY 53 HA1 GLY 53 -9.707 6.264 0.974 362 H ILE 54 HN ILE 54 -7.519 5.407 -0.580 363 HA ILE 54 HA ILE 54 -7.565 7.338 -2.714 364 HB ILE 54 HB ILE 54 -5.667 5.220 -1.670 365 1HG1 ILE 54 HG1 ILE 54 -5.512 8.239 -1.632 366 2HG1 ILE 54 HG1 ILE 54 -6.178 7.274 -0.335 367 1HG2 ILE 54 HG2 ILE 54 -5.216 5.365 -4.061 368 2HG2 ILE 54 HG2 ILE 54 -3.903 6.024 -3.043 369 3HG2 ILE 54 HG2 ILE 54 -5.016 7.135 -3.910 370 1HD1 ILE 54 HD1 ILE 54 -4.023 6.088 -0.038 371 2HD1 ILE 54 HD1 ILE 54 -3.875 7.834 0.239 372 3HD1 ILE 54 HD1 ILE 54 -3.273 7.121 -1.293 373 H ALA 55 HN ALA 55 -6.875 3.894 -2.920 374 HA ALA 55 HA ALA 55 -7.008 3.488 -5.615 375 1HB ALA 55 HB1 ALA 55 -8.086 1.702 -3.399 376 2HB ALA 55 HB2 ALA 55 -6.404 1.761 -4.004 377 3HB ALA 55 HB3 ALA 55 -7.716 1.159 -5.061 378 H ARG 56 HN ARG 56 -9.713 3.670 -3.361 379 HA ARG 56 HA ARG 56 -11.841 2.906 -4.983 380 1HB ARG 56 HB2 ARG 56 -11.488 3.987 -2.423 381 2HB ARG 56 HB1 ARG 56 -12.315 5.272 -3.259 382 1HG ARG 56 HG2 ARG 56 -14.249 3.910 -3.694 383 2HG ARG 56 HG1 ARG 56 -13.391 2.426 -3.328 384 1HD ARG 56 HD2 ARG 56 -14.843 3.100 -1.380 385 2HD ARG 56 HD1 ARG 56 -13.140 3.107 -0.934 386 HE ARG 56 HE ARG 56 -13.236 5.634 -1.503 387 1HH1 ARG 56 HH1 ARG 56 -16.221 4.976 -2.058 388 2HH1 ARG 56 HH1 ARG 56 -17.007 5.782 -0.757 389 1HH2 ARG 56 HH2 ARG 56 -13.907 6.162 0.950 390 2HH2 ARG 56 HH2 ARG 56 -15.579 6.500 1.058 391 H GLY 57 HN GLY 57 -10.023 5.877 -5.212 392 1HA GLY 57 HA2 GLY 57 -12.038 7.043 -7.057 393 2HA GLY 57 HA1 GLY 57 -10.632 7.878 -6.393 394 H ILE 58 HN ILE 58 -9.307 5.047 -7.237 395 HA ILE 58 HA ILE 58 -8.289 6.141 -9.754 396 HB ILE 58 HB ILE 58 -7.688 3.410 -8.551 397 1HG1 ILE 58 HG1 ILE 58 -7.278 5.292 -6.854 398 2HG1 ILE 58 HG1 ILE 58 -5.881 4.315 -7.232 399 1HG2 ILE 58 HG2 ILE 58 -5.529 3.702 -9.715 400 2HG2 ILE 58 HG2 ILE 58 -6.123 5.253 -10.386 401 3HG2 ILE 58 HG2 ILE 58 -6.938 3.724 -10.815 402 1HD1 ILE 58 HD1 ILE 58 -6.479 7.051 -8.421 403 2HD1 ILE 58 HD1 ILE 58 -5.031 6.045 -8.759 404 3HD1 ILE 58 HD1 ILE 58 -5.302 6.700 -7.121 405 H HIS 59 HN HIS 59 -9.606 5.957 -11.437 406 HA HIS 59 HA HIS 59 -11.570 3.850 -11.768 407 1HB HIS 59 HB2 HIS 59 -11.857 6.149 -12.717 408 2HB HIS 59 HB1 HIS 59 -10.498 5.881 -13.798 409 HD1 HIS 59 HD1 HIS 59 -12.683 6.418 -15.406 410 HD2 HIS 59 HD2 HIS 59 -12.473 2.636 -13.883 411 HE1 HIS 59 HE1 HIS 59 -14.131 5.002 -16.831 412 H ASN 60 HN ASN 60 -8.578 4.583 -13.623 413 HA ASN 60 HA ASN 60 -8.722 1.811 -14.698 414 1HB ASN 60 HB2 ASN 60 -8.180 3.979 -16.115 415 2HB ASN 60 HB1 ASN 60 -6.563 3.817 -15.447 416 1HD2 ASN 60 HD2 ASN 60 -6.695 0.764 -15.443 417 2HD2 ASN 60 HD2 ASN 60 -6.610 0.356 -17.090 418 H LEU 61 HN LEU 61 -8.323 1.675 -12.133 419 HA LEU 61 HA LEU 61 -5.623 1.751 -11.190 420 1HB LEU 61 HB2 LEU 61 -7.741 1.648 -9.803 421 2HB LEU 61 HB1 LEU 61 -7.984 0.016 -10.353 422 HG LEU 61 HG LEU 61 -5.416 0.689 -8.852 423 1HD1 LEU 61 HD1 LEU 61 -8.142 -0.017 -7.713 424 2HD1 LEU 61 HD1 LEU 61 -7.291 1.548 -7.527 425 3HD1 LEU 61 HD1 LEU 61 -6.614 0.073 -6.788 426 1HD2 LEU 61 HD2 LEU 61 -5.615 -1.637 -8.187 427 2HD2 LEU 61 HD2 LEU 61 -5.672 -1.540 -9.958 428 3HD2 LEU 61 HD2 LEU 61 -7.188 -1.781 -9.035 429 H ASN 62 HN ASN 62 -3.986 0.211 -11.237 430 HA ASN 62 HA ASN 62 -4.492 -2.143 -13.034 431 1HB ASN 62 HB2 ASN 62 -2.856 -0.313 -13.770 432 2HB ASN 62 HB1 ASN 62 -1.921 -0.801 -12.359 433 1HD2 ASN 62 HD2 ASN 62 -2.261 -1.488 -15.615 434 2HD2 ASN 62 HD2 ASN 62 -1.384 -2.946 -15.553 435 H GLU 63 HN GLU 63 -4.446 -4.078 -12.027 436 HA GLU 63 HA GLU 63 -3.504 -4.321 -9.258 437 1HB GLU 63 HB2 GLU 63 -5.546 -5.691 -10.170 438 2HB GLU 63 HB1 GLU 63 -4.392 -6.666 -11.069 439 1HG GLU 63 HG2 GLU 63 -3.210 -7.168 -8.824 440 2HG GLU 63 HG1 GLU 63 -4.550 -6.368 -8.032 441 H ASP 64 HN ASP 64 -2.468 -5.396 -12.417 442 HA ASP 64 HA ASP 64 -0.392 -7.148 -11.773 443 1HB ASP 64 HB2 ASP 64 -1.031 -6.765 -14.115 444 2HB ASP 64 HB1 ASP 64 -0.597 -5.069 -14.021 445 H ASN 65 HN ASN 65 -0.140 -3.669 -12.048 446 HA ASN 65 HA ASN 65 2.649 -3.657 -11.201 447 1HB ASN 65 HB2 ASN 65 0.609 -1.445 -11.500 448 2HB ASN 65 HB1 ASN 65 2.336 -1.143 -11.262 449 1HD2 ASN 65 HD2 ASN 65 0.256 -0.846 -13.665 450 2HD2 ASN 65 HD2 ASN 65 1.115 -1.540 -14.958 451 H ALA 66 HN ALA 66 -0.416 -2.669 -9.606 452 HA ALA 66 HA ALA 66 0.540 -1.914 -7.088 453 1HB ALA 66 HB1 ALA 66 -1.621 -2.654 -6.213 454 2HB ALA 66 HB2 ALA 66 -1.905 -3.586 -7.717 455 3HB ALA 66 HB3 ALA 66 -1.853 -1.799 -7.758 456 H ARG 67 HN ARG 67 -0.042 -5.178 -8.275 457 HA ARG 67 HA ARG 67 0.765 -6.346 -5.728 458 1HB ARG 67 HB2 ARG 67 -1.098 -7.066 -7.327 459 2HB ARG 67 HB1 ARG 67 0.151 -7.633 -8.414 460 1HG ARG 67 HG2 ARG 67 0.904 -9.272 -6.854 461 2HG ARG 67 HG1 ARG 67 0.008 -8.528 -5.532 462 1HD ARG 67 HD2 ARG 67 -2.071 -9.367 -6.208 463 2HD ARG 67 HD1 ARG 67 -1.652 -9.370 -7.908 464 HE ARG 67 HE ARG 67 -0.700 -11.480 -5.954 465 1HH1 ARG 67 HH2 ARG 67 0.790 -11.299 -8.412 466 2HH1 ARG 67 HH2 ARG 67 -0.039 -12.288 -9.551 467 1HH2 ARG 67 HH1 ARG 67 -2.959 -12.242 -7.492 468 2HH2 ARG 67 HH1 ARG 67 -2.342 -12.863 -8.977 469 H SER 68 HN SER 68 2.273 -5.376 -8.679 470 HA SER 68 HA SER 68 4.589 -7.151 -8.353 471 1HB SER 68 HB2 SER 68 4.004 -4.916 -10.303 472 2HB SER 68 HB1 SER 68 5.589 -5.710 -10.239 473 HG SER 68 HG SER 68 3.102 -6.696 -10.854 474 H ILE 69 HN ILE 69 3.681 -4.434 -6.748 475 HA ILE 69 HA ILE 69 6.207 -2.990 -6.654 476 HB ILE 69 HB ILE 69 3.698 -2.926 -4.845 477 1HG1 ILE 69 HG1 ILE 69 4.601 -0.715 -6.647 478 2HG1 ILE 69 HG1 ILE 69 3.604 -2.027 -7.232 479 1HG2 ILE 69 HG2 ILE 69 5.697 -2.306 -3.521 480 2HG2 ILE 69 HG2 ILE 69 4.656 -0.888 -3.848 481 3HG2 ILE 69 HG2 ILE 69 6.128 -1.159 -4.824 482 1HD1 ILE 69 HD1 ILE 69 2.274 -0.078 -6.451 483 2HD1 ILE 69 HD1 ILE 69 2.907 -0.303 -4.801 484 3HD1 ILE 69 HD1 ILE 69 1.890 -1.571 -5.523 485 HA PRO 70 HA PRO 70 6.894 -5.169 -2.462 486 1HB PRO 70 HB2 PRO 70 5.310 -7.407 -1.888 487 2HB PRO 70 HB1 PRO 70 5.048 -5.774 -1.253 488 1HG PRO 70 HG2 PRO 70 3.661 -7.171 -3.580 489 2HG PRO 70 HG1 PRO 70 3.011 -6.091 -2.377 490 1HD PRO 70 HD2 PRO 70 3.597 -5.138 -4.834 491 2HD PRO 70 HD1 PRO 70 3.779 -4.169 -3.352 492 HA PRO 71 HA PRO 71 8.027 -9.426 -4.287 493 1HB PRO 71 HB2 PRO 71 7.343 -10.072 -6.836 494 2HB PRO 71 HB1 PRO 71 6.223 -10.343 -5.490 495 1HG PRO 71 HG2 PRO 71 6.391 -7.887 -7.319 496 2HG PRO 71 HG1 PRO 71 4.978 -8.915 -7.017 497 1HD PRO 71 HD2 PRO 71 5.253 -6.682 -5.543 498 2HD PRO 71 HD1 PRO 71 4.776 -8.205 -4.753 499 H LYS 72 HN LYS 72 8.050 -6.474 -6.205 500 HA LYS 72 HA LYS 72 10.346 -7.080 -7.747 501 1HB LYS 72 HB2 LYS 72 8.936 -5.378 -8.599 502 2HB LYS 72 HB1 LYS 72 8.593 -4.739 -7.017 503 1HG LYS 72 HG2 LYS 72 10.153 -3.238 -7.006 504 2HG LYS 72 HG1 LYS 72 11.406 -4.261 -7.633 505 1HD LYS 72 HD2 LYS 72 11.197 -2.800 -9.414 506 2HD LYS 72 HD1 LYS 72 10.105 -4.108 -9.853 507 1HE LYS 72 HE2 LYS 72 8.130 -2.870 -9.400 508 2HE LYS 72 HE1 LYS 72 8.990 -1.648 -8.473 509 1HZ LYS 72 HZ1 LYS 72 9.225 -0.444 -10.428 510 2HZ LYS 72 HZ2 LYS 72 8.433 -1.672 -11.248 511 3HZ LYS 72 HZ3 LYS 72 10.109 -1.710 -11.073 512 H CYS 73 HN CYS 73 10.095 -4.663 -5.156 513 HA CYS 73 HA CYS 73 12.908 -4.580 -4.684 514 1HB CYS 73 HB2 CYS 73 10.371 -3.435 -3.660 515 2HB CYS 73 HB1 CYS 73 11.764 -3.398 -2.684 516 H GLY 74 HN GLY 74 10.158 -6.060 -2.982 517 1HA GLY 74 HA2 GLY 74 10.460 -8.267 -1.934 518 2HA GLY 74 HA1 GLY 74 12.091 -7.775 -1.459 519 H VAL 75 HN VAL 75 9.039 -6.089 -1.377 520 HA VAL 75 HA VAL 75 9.495 -5.463 1.494 521 HB VAL 75 HB VAL 75 7.342 -4.329 -0.416 522 1HG1 VAL 75 HG1 VAL 75 6.974 -3.975 1.973 523 2HG1 VAL 75 HG1 VAL 75 7.311 -2.439 1.114 524 3HG1 VAL 75 HG1 VAL 75 8.596 -3.237 2.074 525 1HG2 VAL 75 HG2 VAL 75 9.576 -3.902 -1.373 526 2HG2 VAL 75 HG2 VAL 75 10.092 -3.181 0.181 527 3HG2 VAL 75 HG2 VAL 75 8.798 -2.408 -0.785 528 H ASN 76 HN ASN 76 7.245 -7.021 -0.641 529 HA ASN 76 HA ASN 76 5.499 -8.526 -0.133 530 1HB ASN 76 HB2 ASN 76 7.589 -9.511 0.995 531 2HB ASN 76 HB1 ASN 76 6.953 -8.881 2.488 532 1HD2 ASN 76 HD2 ASN 76 4.819 -9.519 3.198 533 2HD2 ASN 76 HD2 ASN 76 4.202 -11.058 2.795 534 H LEU 77 HN LEU 77 3.950 -6.694 0.052 535 HA LEU 77 HA LEU 77 3.267 -5.961 2.849 536 1HB LEU 77 HB2 LEU 77 3.027 -4.610 0.242 537 2HB LEU 77 HB1 LEU 77 1.467 -4.727 0.957 538 HG LEU 77 HG LEU 77 2.252 -3.659 3.025 539 1HD1 LEU 77 HD1 LEU 77 4.418 -2.584 3.125 540 2HD1 LEU 77 HD1 LEU 77 4.827 -3.230 1.501 541 3HD1 LEU 77 HD1 LEU 77 4.637 -4.339 2.888 542 1HD2 LEU 77 HD2 LEU 77 2.843 -2.118 0.480 543 2HD2 LEU 77 HD2 LEU 77 2.554 -1.424 2.103 544 3HD2 LEU 77 HD2 LEU 77 1.250 -2.320 1.273 545 HA PRO 78 HA PRO 78 -0.253 -8.596 2.416 546 1HB PRO 78 HB2 PRO 78 -1.628 -8.059 4.642 547 2HB PRO 78 HB1 PRO 78 -0.011 -8.771 4.753 548 1HG PRO 78 HG2 PRO 78 -0.865 -5.900 5.244 549 2HG PRO 78 HG1 PRO 78 0.400 -6.810 6.048 550 1HD PRO 78 HD2 PRO 78 0.782 -4.988 3.858 551 2HD PRO 78 HD1 PRO 78 2.009 -6.106 4.510 552 H TYR 79 HN TYR 79 -0.256 -5.567 1.494 553 HA TYR 79 HA TYR 79 -2.867 -5.659 0.307 554 1HB TYR 79 HB2 TYR 79 -3.676 -3.469 1.598 555 2HB TYR 79 HB1 TYR 79 -3.821 -5.016 2.405 556 HD1 TYR 79 HD1 TYR 79 -0.955 -2.545 2.097 557 HD2 TYR 79 HD2 TYR 79 -3.439 -4.866 4.662 558 HE1 TYR 79 HE1 TYR 79 0.306 -1.763 4.038 559 HE2 TYR 79 HE2 TYR 79 -2.177 -4.054 6.602 560 HH TYR 79 HH TYR 79 -0.619 -1.642 6.861 561 H THR 80 HN THR 80 -3.193 -3.923 -1.275 562 HA THR 80 HA THR 80 -0.980 -1.976 -1.530 563 HB THR 80 HB THR 80 -0.218 -3.988 -2.902 564 HG1 THR 80 HG1 THR 80 0.302 -2.784 -4.526 565 1HG2 THR 80 HG2 THR 80 -2.478 -4.904 -3.478 566 2HG2 THR 80 HG2 THR 80 -1.413 -4.672 -4.894 567 3HG2 THR 80 HG2 THR 80 -2.726 -3.500 -4.557 568 H ILE 81 HN ILE 81 -1.724 -1.066 -4.026 569 HA ILE 81 HA ILE 81 -4.158 0.464 -3.343 570 HB ILE 81 HB ILE 81 -2.513 0.418 -5.910 571 1HG1 ILE 81 HG1 ILE 81 -1.143 1.103 -3.935 572 2HG1 ILE 81 HG1 ILE 81 -1.315 2.418 -5.065 573 1HG2 ILE 81 HG2 ILE 81 -4.471 2.518 -4.934 574 2HG2 ILE 81 HG2 ILE 81 -4.757 1.343 -6.249 575 3HG2 ILE 81 HG2 ILE 81 -3.484 2.560 -6.440 576 1HD1 ILE 81 HD1 ILE 81 -1.580 3.219 -2.756 577 2HD1 ILE 81 HD1 ILE 81 -2.916 2.067 -2.476 578 3HD1 ILE 81 HD1 ILE 81 -3.129 3.423 -3.618 579 H SER 82 HN SER 82 -5.450 -1.646 -3.217 580 HA SER 82 HA SER 82 -6.991 -1.989 -5.637 581 1HB SER 82 HB2 SER 82 -5.074 -4.121 -4.648 582 2HB SER 82 HB1 SER 82 -6.597 -4.571 -5.366 583 HG SER 82 HG SER 82 -5.024 -2.623 -6.654 584 H LEU 83 HN LEU 83 -8.771 -3.682 -5.161 585 HA LEU 83 HA LEU 83 -9.481 -3.520 -2.251 586 1HB LEU 83 HB2 LEU 83 -11.279 -3.586 -4.719 587 2HB LEU 83 HB1 LEU 83 -11.837 -3.454 -3.067 588 HG LEU 83 HG LEU 83 -9.923 -1.390 -4.311 589 1HD1 LEU 83 HD1 LEU 83 -12.936 -1.224 -4.060 590 2HD1 LEU 83 HD1 LEU 83 -12.002 -1.413 -5.573 591 3HD1 LEU 83 HD1 LEU 83 -11.842 0.084 -4.618 592 1HD2 LEU 83 HD2 LEU 83 -9.946 -1.465 -1.878 593 2HD2 LEU 83 HD2 LEU 83 -11.728 -1.265 -1.888 594 3HD2 LEU 83 HD2 LEU 83 -10.671 0.040 -2.503 595 H ASN 84 HN ASN 84 -7.837 -5.539 -2.916 596 HA ASN 84 HA ASN 84 -9.588 -7.944 -3.088 597 1HB ASN 84 HB2 ASN 84 -6.674 -7.697 -3.909 598 2HB ASN 84 HB1 ASN 84 -7.779 -8.993 -4.227 599 1HD2 ASN 84 HD2 ASN 84 -7.755 -8.886 -6.616 600 2HD2 ASN 84 HD2 ASN 84 -8.279 -7.490 -7.413 601 H ILE 85 HN ILE 85 -8.593 -6.381 -0.655 602 HA ILE 85 HA ILE 85 -7.462 -8.722 0.757 603 HB ILE 85 HB ILE 85 -5.784 -7.209 1.861 604 1HG1 ILE 85 HG1 ILE 85 -7.225 -5.079 1.458 605 2HG1 ILE 85 HG1 ILE 85 -5.515 -4.910 1.322 606 1HG2 ILE 85 HG2 ILE 85 -5.125 -8.492 -0.079 607 2HG2 ILE 85 HG2 ILE 85 -4.274 -6.927 -0.025 608 3HG2 ILE 85 HG2 ILE 85 -5.639 -7.160 -1.156 609 1HD1 ILE 85 HD1 ILE 85 -6.605 -3.641 -0.453 610 2HD1 ILE 85 HD1 ILE 85 -7.436 -5.091 -1.044 611 3HD1 ILE 85 HD1 ILE 85 -5.652 -4.967 -1.170 612 H ASP 86 HN ASP 86 -7.592 -8.431 3.126 613 HA ASP 86 HA ASP 86 -10.069 -7.005 3.930 614 1HB ASP 86 HB2 ASP 86 -8.679 -9.403 5.203 615 2HB ASP 86 HB1 ASP 86 -10.087 -8.543 5.792 616 H CYS 87 HN CYS 87 -6.798 -7.713 4.825 617 HA CYS 87 HA CYS 87 -5.300 -6.719 6.278 618 1HB CYS 87 HB2 CYS 87 -7.248 -4.405 6.295 619 2HB CYS 87 HB1 CYS 87 -5.566 -4.349 6.731 620 H SER 88 HN SER 88 -7.869 -8.149 7.214 621 HA SER 88 HA SER 88 -8.359 -7.042 9.874 622 1HB SER 88 HB2 SER 88 -9.926 -9.147 9.893 623 2HB SER 88 HB1 SER 88 -10.277 -7.957 8.628 624 HG SER 88 HG SER 88 -9.861 -9.608 7.301 625 H ARG 89 HN ARG 89 -7.067 -9.909 8.448 626 HA ARG 89 HA ARG 89 -5.690 -10.619 11.031 627 1HB ARG 89 HB2 ARG 89 -7.562 -12.138 9.832 628 2HB ARG 89 HB1 ARG 89 -6.207 -12.656 8.870 629 1HG ARG 89 HG2 ARG 89 -5.922 -14.222 10.501 630 2HG ARG 89 HG1 ARG 89 -5.045 -12.928 11.280 631 1HD ARG 89 HD2 ARG 89 -6.626 -12.651 12.934 632 2HD ARG 89 HD1 ARG 89 -7.977 -12.744 11.820 633 HE ARG 89 HE ARG 89 -6.559 -15.108 13.021 634 1HH1 ARG 89 HH1 ARG 89 -7.919 -15.081 10.304 635 2HH1 ARG 89 HH1 ARG 89 -9.426 -15.859 10.606 636 1HH2 ARG 89 HH2 ARG 89 -8.948 -15.350 14.114 637 2HH2 ARG 89 HH2 ARG 89 -10.051 -16.044 12.991 638 H VAL 90 HN VAL 90 -4.396 -8.831 9.301 639 HA VAL 90 HA VAL 90 -2.271 -10.553 8.081 640 HB VAL 90 HB VAL 90 -1.715 -8.539 6.727 641 1HG1 VAL 90 HG1 VAL 90 -4.627 -9.421 6.564 642 2HG1 VAL 90 HG1 VAL 90 -3.232 -10.235 5.798 643 3HG1 VAL 90 HG1 VAL 90 -3.728 -8.614 5.241 644 1HG2 VAL 90 HG2 VAL 90 -4.241 -7.386 7.948 645 2HG2 VAL 90 HG2 VAL 90 -3.269 -6.655 6.617 646 3HG2 VAL 90 HG2 VAL 90 -2.570 -6.849 8.243 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 -2.766 5.877 15.136 2 2H ILE 1 HT2 ILE 1 -3.708 7.166 14.545 3 3H ILE 1 HT3 ILE 1 -2.129 7.461 15.063 4 HA ILE 1 HA ILE 1 -1.497 7.221 12.946 5 HB ILE 1 HB ILE 1 -2.647 4.360 12.974 6 1HG1 ILE 1 HG1 ILE 1 -0.092 5.268 14.467 7 2HG1 ILE 1 HG1 ILE 1 -1.507 4.566 15.226 8 1HG2 ILE 1 HG2 ILE 1 -0.082 5.542 11.876 9 2HG2 ILE 1 HG2 ILE 1 -1.572 5.155 10.946 10 3HG2 ILE 1 HG2 ILE 1 -0.636 3.849 11.692 11 1HD1 ILE 1 HD1 ILE 1 0.349 3.124 13.298 12 2HD1 ILE 1 HD1 ILE 1 -1.148 2.428 13.979 13 3HD1 ILE 1 HD1 ILE 1 0.217 2.866 15.051 14 H ASP 2 HN ASP 2 -3.372 8.796 12.454 15 HA ASP 2 HA ASP 2 -5.688 7.420 11.210 16 1HB ASP 2 HB2 ASP 2 -5.160 10.257 12.239 17 2HB ASP 2 HB1 ASP 2 -6.693 9.692 11.595 18 H CYS 3 HN CYS 3 -3.650 6.926 9.820 19 HA CYS 3 HA CYS 3 -2.539 7.089 7.738 20 1HB CYS 3 HB2 CYS 3 -4.980 6.657 7.087 21 2HB CYS 3 HB1 CYS 3 -5.122 8.384 6.814 22 H GLY 4 HN GLY 4 -2.062 9.275 9.451 23 1HA GLY 4 HA2 GLY 4 -2.083 11.735 7.834 24 2HA GLY 4 HA1 GLY 4 -1.373 11.578 9.441 25 H HIS 5 HN HIS 5 0.180 9.247 8.761 26 HA HIS 5 HA HIS 5 2.296 10.527 7.058 27 1HB HIS 5 HB2 HIS 5 2.818 9.984 9.538 28 2HB HIS 5 HB1 HIS 5 2.777 8.290 9.065 29 HD1 HIS 5 HD1 HIS 5 4.276 8.162 6.563 30 HD2 HIS 5 HD2 HIS 5 5.331 10.783 9.475 31 HE1 HIS 5 HE1 HIS 5 6.669 8.737 6.143 32 H VAL 6 HN VAL 6 0.509 7.611 7.636 33 HA VAL 6 HA VAL 6 1.961 5.879 5.889 34 HB VAL 6 HB VAL 6 -1.037 5.727 6.368 35 1HG1 VAL 6 HG1 VAL 6 1.143 3.759 5.640 36 2HG1 VAL 6 HG1 VAL 6 -0.190 4.334 4.586 37 3HG1 VAL 6 HG1 VAL 6 -0.543 3.318 6.008 38 1HG2 VAL 6 HG2 VAL 6 1.261 4.629 8.023 39 2HG2 VAL 6 HG2 VAL 6 -0.482 4.258 8.264 40 3HG2 VAL 6 HG2 VAL 6 0.136 5.913 8.524 41 H ASP 7 HN ASP 7 -0.596 8.177 5.240 42 HA ASP 7 HA ASP 7 -1.339 7.585 2.611 43 1HB ASP 7 HB2 ASP 7 -2.353 9.458 3.921 44 2HB ASP 7 HB1 ASP 7 -0.855 10.362 3.830 45 H SER 8 HN SER 8 1.294 9.630 3.667 46 HA SER 8 HA SER 8 2.366 10.121 1.027 47 1HB SER 8 HB2 SER 8 2.685 11.631 3.054 48 2HB SER 8 HB1 SER 8 3.836 10.445 3.693 49 HG SER 8 HG SER 8 5.213 10.929 2.116 50 H LEU 9 HN LEU 9 2.838 7.474 3.348 51 HA LEU 9 HA LEU 9 5.332 6.681 2.190 52 1HB LEU 9 HB2 LEU 9 3.319 5.629 4.185 53 2HB LEU 9 HB1 LEU 9 4.625 4.646 3.665 54 HG LEU 9 HG LEU 9 4.904 7.432 4.904 55 1HD1 LEU 9 HD1 LEU 9 5.782 6.290 6.893 56 2HD1 LEU 9 HD1 LEU 9 5.512 4.711 6.107 57 3HD1 LEU 9 HD1 LEU 9 4.117 5.745 6.548 58 1HD2 LEU 9 HD2 LEU 9 6.809 6.942 3.465 59 2HD2 LEU 9 HD2 LEU 9 7.002 5.351 4.278 60 3HD2 LEU 9 HD2 LEU 9 7.296 6.865 5.176 61 H VAL 10 HN VAL 10 1.986 5.791 1.795 62 HA VAL 10 HA VAL 10 2.696 3.639 -0.125 63 HB VAL 10 HB VAL 10 0.242 3.274 -0.245 64 1HG1 VAL 10 HG1 VAL 10 -0.172 2.787 2.133 65 2HG1 VAL 10 HG1 VAL 10 1.268 3.728 2.579 66 3HG1 VAL 10 HG1 VAL 10 1.448 2.241 1.591 67 1HG2 VAL 10 HG2 VAL 10 -1.297 4.589 1.109 68 2HG2 VAL 10 HG2 VAL 10 -0.487 5.608 -0.119 69 3HG2 VAL 10 HG2 VAL 10 0.026 5.685 1.591 70 H ARG 11 HN ARG 11 2.103 6.957 -0.234 71 HA ARG 11 HA ARG 11 0.822 7.203 -2.765 72 1HB ARG 11 HB2 ARG 11 1.949 8.977 -0.758 73 2HB ARG 11 HB1 ARG 11 2.629 9.440 -2.294 74 1HG ARG 11 HG2 ARG 11 0.558 10.709 -1.745 75 2HG ARG 11 HG1 ARG 11 0.446 9.838 -3.262 76 1HD ARG 11 HD2 ARG 11 -1.322 8.530 -2.504 77 2HD ARG 11 HD1 ARG 11 -0.583 8.275 -0.934 78 HE ARG 11 HE ARG 11 -1.475 10.453 -0.188 79 1HH1 ARG 11 HH1 ARG 11 -1.888 11.048 -3.166 80 2HH1 ARG 11 HH1 ARG 11 -3.602 11.256 -3.293 81 1HH2 ARG 11 HH2 ARG 11 -3.796 9.747 -0.034 82 2HH2 ARG 11 HH2 ARG 11 -4.865 10.406 -1.244 83 HA PRO 12 HA PRO 12 5.210 7.546 -4.774 84 1HB PRO 12 HB2 PRO 12 7.157 5.971 -3.585 85 2HB PRO 12 HB1 PRO 12 6.938 7.685 -3.231 86 1HG PRO 12 HG2 PRO 12 5.767 5.263 -1.747 87 2HG PRO 12 HG1 PRO 12 6.676 6.612 -1.059 88 1HD PRO 12 HD2 PRO 12 4.057 6.710 -0.941 89 2HD PRO 12 HD1 PRO 12 4.876 8.182 -1.459 90 H CYS 13 HN CYS 13 4.016 4.369 -3.347 91 HA CYS 13 HA CYS 13 5.052 2.917 -5.526 92 1HB CYS 13 HB2 CYS 13 2.956 2.421 -3.440 93 2HB CYS 13 HB1 CYS 13 3.583 1.340 -4.584 94 H LEU 14 HN LEU 14 2.217 4.826 -5.042 95 HA LEU 14 HA LEU 14 0.463 3.600 -6.942 96 1HB LEU 14 HB2 LEU 14 0.749 6.479 -6.046 97 2HB LEU 14 HB1 LEU 14 -0.445 6.040 -7.238 98 HG LEU 14 HG LEU 14 -0.385 4.632 -4.534 99 1HD1 LEU 14 HD1 LEU 14 -0.581 7.114 -4.282 100 2HD1 LEU 14 HD1 LEU 14 -2.034 6.208 -3.796 101 3HD1 LEU 14 HD1 LEU 14 -1.996 7.088 -5.367 102 1HD2 LEU 14 HD2 LEU 14 -1.706 3.697 -6.460 103 2HD2 LEU 14 HD2 LEU 14 -2.540 5.257 -6.615 104 3HD2 LEU 14 HD2 LEU 14 -2.748 4.291 -5.121 105 H SER 15 HN SER 15 3.104 5.820 -7.357 106 HA SER 15 HA SER 15 2.577 6.766 -9.943 107 1HB SER 15 HB2 SER 15 4.630 7.333 -8.319 108 2HB SER 15 HB1 SER 15 5.458 6.052 -9.203 109 HG SER 15 HG SER 15 4.065 7.574 -10.948 110 H TYR 16 HN TYR 16 3.492 3.594 -8.997 111 HA TYR 16 HA TYR 16 4.161 2.828 -11.789 112 1HB TYR 16 HB2 TYR 16 5.608 1.976 -10.009 113 2HB TYR 16 HB1 TYR 16 4.258 1.309 -9.153 114 HD1 TYR 16 HD1 TYR 16 5.062 -0.971 -9.182 115 HD2 TYR 16 HD2 TYR 16 4.549 1.096 -12.882 116 HE1 TYR 16 HE1 TYR 16 5.219 -3.090 -10.402 117 HE2 TYR 16 HE2 TYR 16 4.704 -1.003 -14.069 118 HH TYR 16 HH TYR 16 4.157 -3.343 -13.527 119 H VAL 17 HN VAL 17 2.008 2.086 -9.206 120 HA VAL 17 HA VAL 17 0.341 0.140 -10.449 121 HB VAL 17 HB VAL 17 -0.795 2.265 -8.596 122 1HG1 VAL 17 HG1 VAL 17 -1.439 -0.659 -9.118 123 2HG1 VAL 17 HG1 VAL 17 -2.405 0.731 -9.679 124 3HG1 VAL 17 HG1 VAL 17 -2.272 0.389 -7.928 125 1HG2 VAL 17 HG2 VAL 17 1.242 1.349 -7.626 126 2HG2 VAL 17 HG2 VAL 17 0.663 -0.302 -8.008 127 3HG2 VAL 17 HG2 VAL 17 -0.184 0.700 -6.779 128 H GLN 18 HN GLN 18 0.233 3.702 -10.922 129 HA GLN 18 HA GLN 18 -2.255 3.743 -12.196 130 1HB GLN 18 HB2 GLN 18 -1.390 5.860 -12.973 131 2HB GLN 18 HB1 GLN 18 -1.184 5.725 -11.255 132 1HG GLN 18 HG2 GLN 18 1.226 5.116 -11.671 133 2HG GLN 18 HG1 GLN 18 1.002 5.384 -13.386 134 1HE2 GLN 18 HE2 GLN 18 -0.918 7.773 -12.437 135 2HE2 GLN 18 HE2 GLN 18 0.226 8.987 -12.127 136 H GLY 19 HN GLY 19 0.834 2.661 -13.298 137 1HA GLY 19 HA2 GLY 19 0.956 1.286 -15.317 138 2HA GLY 19 HA1 GLY 19 -0.324 2.250 -16.037 139 H GLY 20 HN GLY 20 2.560 3.341 -14.325 140 1HA GLY 20 HA2 GLY 20 3.681 4.427 -16.884 141 2HA GLY 20 HA1 GLY 20 3.439 5.505 -15.501 142 HA PRO 21 HA PRO 21 7.629 3.534 -15.161 143 1HB PRO 21 HB2 PRO 21 9.155 5.779 -15.074 144 2HB PRO 21 HB1 PRO 21 8.565 5.146 -16.615 145 1HG PRO 21 HG2 PRO 21 7.230 7.288 -14.853 146 2HG PRO 21 HG1 PRO 21 7.706 7.458 -16.547 147 1HD PRO 21 HD2 PRO 21 5.164 6.747 -15.919 148 2HD PRO 21 HD1 PRO 21 5.958 5.926 -17.286 149 H GLY 22 HN GLY 22 8.381 3.026 -13.075 150 1HA GLY 22 HA2 GLY 22 8.713 4.662 -10.894 151 2HA GLY 22 HA1 GLY 22 6.996 4.232 -10.861 152 HA PRO 23 HA PRO 23 6.405 3.714 -9.009 153 1HB PRO 23 HB2 PRO 23 6.789 3.128 -6.436 154 2HB PRO 23 HB1 PRO 23 5.814 2.095 -7.485 155 1HG PRO 23 HG2 PRO 23 8.727 1.717 -6.593 156 2HG PRO 23 HG1 PRO 23 7.429 0.546 -6.684 157 1HD PRO 23 HD2 PRO 23 9.288 0.798 -8.757 158 2HD PRO 23 HD1 PRO 23 7.605 0.307 -9.031 159 H SER 24 HN SER 24 9.382 3.291 -7.136 160 HA SER 24 HA SER 24 10.713 5.728 -7.680 161 1HB SER 24 HB2 SER 24 10.018 7.066 -5.625 162 2HB SER 24 HB1 SER 24 8.651 6.873 -6.736 163 HG SER 24 HG SER 24 7.887 5.268 -5.574 164 H GLY 25 HN GLY 25 12.350 6.219 -6.075 165 1HA GLY 25 HA2 GLY 25 13.440 3.755 -4.942 166 2HA GLY 25 HA1 GLY 25 14.147 5.369 -4.757 167 H GLN 26 HN GLN 26 11.058 5.901 -3.977 168 HA GLN 26 HA GLN 26 11.644 5.391 -1.053 169 1HB GLN 26 HB2 GLN 26 9.624 7.321 -2.404 170 2HB GLN 26 HB1 GLN 26 9.677 7.044 -0.677 171 1HG GLN 26 HG2 GLN 26 12.249 7.680 -0.904 172 2HG GLN 26 HG1 GLN 26 11.757 8.374 -2.442 173 1HE2 GLN 26 HE2 GLN 26 12.150 9.181 0.808 174 2HE2 GLN 26 HE2 GLN 26 11.073 10.498 0.828 175 H CYS 27 HN CYS 27 9.566 4.346 -3.645 176 HA CYS 27 HA CYS 27 7.358 3.411 -2.128 177 1HB CYS 27 HB2 CYS 27 7.393 3.348 -4.535 178 2HB CYS 27 HB1 CYS 27 8.756 2.249 -4.545 179 H CYS 28 HN CYS 28 10.567 2.026 -2.578 180 HA CYS 28 HA CYS 28 9.802 -0.361 -1.013 181 1HB CYS 28 HB2 CYS 28 12.354 0.572 -2.358 182 2HB CYS 28 HB1 CYS 28 12.374 -0.792 -1.260 183 H ASP 29 HN ASP 29 12.366 2.108 -0.474 184 HA ASP 29 HA ASP 29 12.719 1.342 2.236 185 1HB ASP 29 HB2 ASP 29 13.956 3.300 0.573 186 2HB ASP 29 HB1 ASP 29 13.045 4.236 1.697 187 H GLY 30 HN GLY 30 10.457 3.541 0.752 188 1HA GLY 30 HA2 GLY 30 9.485 4.730 3.197 189 2HA GLY 30 HA1 GLY 30 8.675 4.772 1.641 190 H VAL 31 HN VAL 31 8.073 2.226 1.067 191 HA VAL 31 HA VAL 31 5.941 1.700 2.978 192 HB VAL 31 HB VAL 31 6.897 0.125 0.526 193 1HG1 VAL 31 HG1 VAL 31 4.618 -0.749 0.456 194 2HG1 VAL 31 HG1 VAL 31 4.222 0.110 1.976 195 3HG1 VAL 31 HG1 VAL 31 5.438 -1.198 1.980 196 1HG2 VAL 31 HG2 VAL 31 6.226 2.471 0.059 197 2HG2 VAL 31 HG2 VAL 31 4.695 2.203 0.940 198 3HG2 VAL 31 HG2 VAL 31 5.028 1.307 -0.572 199 H LYS 32 HN LYS 32 9.098 0.157 2.326 200 HA LYS 32 HA LYS 32 8.883 -2.157 3.870 201 1HB LYS 32 HB2 LYS 32 10.848 -1.559 2.417 202 2HB LYS 32 HB1 LYS 32 11.234 -0.220 3.478 203 1HG LYS 32 HG2 LYS 32 11.563 -1.994 5.320 204 2HG LYS 32 HG1 LYS 32 11.403 -3.192 4.060 205 1HD LYS 32 HD2 LYS 32 13.792 -2.882 4.255 206 2HD LYS 32 HD1 LYS 32 13.347 -1.959 2.834 207 1HE LYS 32 HE2 LYS 32 13.308 0.152 4.189 208 2HE LYS 32 HE1 LYS 32 13.712 -0.756 5.629 209 1HZ LYS 32 HZ1 LYS 32 15.350 0.409 3.765 210 2HZ LYS 32 HZ2 LYS 32 15.702 -1.231 3.617 211 3HZ LYS 32 HZ3 LYS 32 15.880 -0.454 5.130 212 H ASN 33 HN ASN 33 9.813 1.139 4.726 213 HA ASN 33 HA ASN 33 10.173 0.679 7.519 214 1HB ASN 33 HB2 ASN 33 9.741 3.089 5.747 215 2HB ASN 33 HB1 ASN 33 9.322 3.328 7.433 216 1HD2 ASN 33 HD2 ASN 33 11.921 2.954 5.230 217 2HD2 ASN 33 HD2 ASN 33 13.181 3.066 6.375 218 H LEU 34 HN LEU 34 7.359 1.840 5.782 219 HA LEU 34 HA LEU 34 5.580 2.122 7.953 220 1HB LEU 34 HB2 LEU 34 5.015 2.768 5.586 221 2HB LEU 34 HB1 LEU 34 5.002 1.089 5.130 222 HG LEU 34 HG LEU 34 3.098 0.760 6.872 223 1HD1 LEU 34 HD1 LEU 34 3.495 2.797 8.117 224 2HD1 LEU 34 HD1 LEU 34 1.847 2.708 7.462 225 3HD1 LEU 34 HD1 LEU 34 3.057 3.781 6.685 226 1HD2 LEU 34 HD2 LEU 34 2.631 2.518 4.478 227 2HD2 LEU 34 HD2 LEU 34 1.397 1.543 5.334 228 3HD2 LEU 34 HD2 LEU 34 2.745 0.735 4.485 229 H HIS 35 HN HIS 35 5.884 -0.687 5.860 230 HA HIS 35 HA HIS 35 4.222 -2.482 7.233 231 1HB HIS 35 HB2 HIS 35 5.344 -2.968 5.072 232 2HB HIS 35 HB1 HIS 35 6.866 -3.222 5.890 233 HD1 HIS 35 HD1 HIS 35 5.042 -4.738 8.317 234 HD2 HIS 35 HD2 HIS 35 5.411 -5.772 4.376 235 HE1 HIS 35 HE1 HIS 35 4.459 -7.093 8.173 236 H ASN 36 HN ASN 36 7.714 -2.141 7.678 237 HA ASN 36 HA ASN 36 8.039 -3.912 9.859 238 1HB ASN 36 HB2 ASN 36 9.871 -2.653 8.376 239 2HB ASN 36 HB1 ASN 36 9.553 -1.307 9.412 240 1HD2 ASN 36 HD2 ASN 36 11.468 -4.125 9.157 241 2HD2 ASN 36 HD2 ASN 36 12.084 -4.066 10.738 242 H GLN 37 HN GLN 37 7.352 -0.425 9.852 243 HA GLN 37 HA GLN 37 7.377 -0.056 12.656 244 1HB GLN 37 HB2 GLN 37 7.564 1.753 10.991 245 2HB GLN 37 HB1 GLN 37 5.929 1.427 10.420 246 1HG GLN 37 HG2 GLN 37 4.925 2.117 12.466 247 2HG GLN 37 HG1 GLN 37 6.469 2.174 13.310 248 1HE2 GLN 37 HE2 GLN 37 6.846 3.416 10.158 249 2HE2 GLN 37 HE2 GLN 37 6.691 5.062 10.575 250 H ALA 38 HN ALA 38 4.860 -0.982 10.433 251 HA ALA 38 HA ALA 38 2.724 -0.819 12.359 252 1HB ALA 38 HB1 ALA 38 1.441 -2.091 10.636 253 2HB ALA 38 HB2 ALA 38 2.970 -2.349 9.752 254 3HB ALA 38 HB3 ALA 38 2.322 -0.687 9.981 255 H ARG 39 HN ARG 39 3.805 -1.926 14.106 256 HA ARG 39 HA ARG 39 3.814 -4.905 13.856 257 1HB ARG 39 HB2 ARG 39 4.910 -3.005 15.978 258 2HB ARG 39 HB1 ARG 39 4.867 -4.749 16.210 259 1HG ARG 39 HG2 ARG 39 6.090 -4.977 13.938 260 2HG ARG 39 HG1 ARG 39 6.264 -3.249 13.951 261 1HD ARG 39 HD2 ARG 39 7.255 -4.792 16.381 262 2HD ARG 39 HD1 ARG 39 8.178 -4.916 14.893 263 HE ARG 39 HE ARG 39 7.590 -2.264 16.232 264 1HH1 ARG 39 HH2 ARG 39 8.500 -2.801 13.394 265 2HH1 ARG 39 HH2 ARG 39 10.162 -2.486 13.361 266 1HH2 ARG 39 HH1 ARG 39 10.136 -2.597 17.004 267 2HH2 ARG 39 HH1 ARG 39 11.188 -2.335 15.665 268 H SER 40 HN SER 40 1.506 -2.702 14.541 269 HA SER 40 HA SER 40 0.221 -4.475 16.569 270 1HB SER 40 HB2 SER 40 -0.987 -2.469 17.406 271 2HB SER 40 HB1 SER 40 0.686 -1.955 17.189 272 HG SER 40 HG SER 40 -1.440 -0.941 16.038 273 H GLN 41 HN GLN 41 -2.358 -3.883 16.281 274 HA GLN 41 HA GLN 41 -2.991 -4.865 13.550 275 1HB GLN 41 HB2 GLN 41 -4.098 -5.823 15.727 276 2HB GLN 41 HB1 GLN 41 -4.950 -4.293 15.860 277 1HG GLN 41 HG2 GLN 41 -6.080 -4.648 13.708 278 2HG GLN 41 HG1 GLN 41 -5.159 -6.101 13.396 279 1HE2 GLN 41 HE2 GLN 41 -5.418 -7.771 15.428 280 2HE2 GLN 41 HE2 GLN 41 -7.024 -7.931 15.949 281 H SER 42 HN SER 42 -3.336 -2.025 15.619 282 HA SER 42 HA SER 42 -5.108 -0.524 14.039 283 1HB SER 42 HB2 SER 42 -3.388 1.331 15.322 284 2HB SER 42 HB1 SER 42 -4.829 0.623 16.047 285 HG SER 42 HG SER 42 -3.375 -0.146 17.403 286 H ASP 43 HN ASP 43 -1.528 -0.692 13.909 287 HA ASP 43 HA ASP 43 -1.476 1.316 11.820 288 1HB ASP 43 HB2 ASP 43 0.593 0.462 13.408 289 2HB ASP 43 HB1 ASP 43 0.765 -0.663 12.105 290 H ARG 44 HN ARG 44 -2.082 -2.042 11.784 291 HA ARG 44 HA ARG 44 -1.439 -2.292 8.901 292 1HB ARG 44 HB2 ARG 44 -1.860 -4.192 11.170 293 2HB ARG 44 HB1 ARG 44 -2.854 -4.653 9.808 294 1HG ARG 44 HG2 ARG 44 -1.062 -5.315 8.528 295 2HG ARG 44 HG1 ARG 44 -0.124 -3.904 8.931 296 1HD ARG 44 HD2 ARG 44 1.069 -5.880 9.676 297 2HD ARG 44 HD1 ARG 44 0.541 -4.918 11.064 298 HE ARG 44 HE ARG 44 -1.061 -7.335 10.201 299 1HH1 ARG 44 HH2 ARG 44 1.168 -5.992 12.464 300 2HH1 ARG 44 HH2 ARG 44 0.610 -6.958 13.771 301 1HH2 ARG 44 HH1 ARG 44 -1.948 -8.363 11.753 302 2HH2 ARG 44 HH1 ARG 44 -1.346 -8.395 13.372 303 H GLN 45 HN GLN 45 -4.281 -1.981 10.996 304 HA GLN 45 HA GLN 45 -6.121 -2.266 8.765 305 1HB GLN 45 HB2 GLN 45 -6.233 -2.051 11.698 306 2HB GLN 45 HB1 GLN 45 -7.350 -0.923 10.998 307 1HG GLN 45 HG2 GLN 45 -8.740 -2.828 11.039 308 2HG GLN 45 HG1 GLN 45 -7.970 -3.153 9.503 309 1HE2 GLN 45 HE2 GLN 45 -9.082 -5.042 11.556 310 2HE2 GLN 45 HE2 GLN 45 -7.829 -6.131 11.870 311 H SER 46 HN SER 46 -4.704 0.477 10.611 312 HA SER 46 HA SER 46 -6.163 2.526 9.263 313 1HB SER 46 HB2 SER 46 -3.370 2.704 10.511 314 2HB SER 46 HB1 SER 46 -4.450 4.057 10.128 315 HG SER 46 HG SER 46 -4.699 2.064 12.013 316 H ALA 47 HN ALA 47 -2.847 1.321 8.671 317 HA ALA 47 HA ALA 47 -2.400 2.926 6.371 318 1HB ALA 47 HB1 ALA 47 -1.467 0.153 7.181 319 2HB ALA 47 HB2 ALA 47 -0.625 1.662 7.562 320 3HB ALA 47 HB3 ALA 47 -0.692 1.077 5.858 321 H CYS 48 HN CYS 48 -4.015 -0.223 6.592 322 HA CYS 48 HA CYS 48 -4.322 -0.736 3.855 323 1HB CYS 48 HB2 CYS 48 -5.107 -2.274 5.602 324 2HB CYS 48 HB1 CYS 48 -6.308 -1.130 6.114 325 H ASN 49 HN ASN 49 -6.451 1.128 5.948 326 HA ASN 49 HA ASN 49 -8.355 1.985 4.042 327 1HB ASN 49 HB2 ASN 49 -7.293 3.543 6.450 328 2HB ASN 49 HB1 ASN 49 -8.803 3.889 5.629 329 1HD2 ASN 49 HD2 ASN 49 -7.638 2.178 8.184 330 2HD2 ASN 49 HD2 ASN 49 -8.987 1.143 8.265 331 H CYS 50 HN CYS 50 -5.183 3.301 4.682 332 HA CYS 50 HA CYS 50 -5.395 5.679 3.134 333 1HB CYS 50 HB2 CYS 50 -2.970 3.877 3.470 334 2HB CYS 50 HB1 CYS 50 -2.914 5.504 2.905 335 H LEU 51 HN LEU 51 -4.359 2.469 2.167 336 HA LEU 51 HA LEU 51 -4.050 3.255 -0.641 337 1HB LEU 51 HB2 LEU 51 -4.260 0.422 0.492 338 2HB LEU 51 HB1 LEU 51 -3.722 0.873 -1.096 339 HG LEU 51 HG LEU 51 -1.885 2.307 0.218 340 1HD1 LEU 51 HD1 LEU 51 -2.682 1.916 2.400 341 2HD1 LEU 51 HD1 LEU 51 -1.141 1.054 2.244 342 3HD1 LEU 51 HD1 LEU 51 -2.676 0.133 2.177 343 1HD2 LEU 51 HD2 LEU 51 -0.341 0.414 0.092 344 2HD2 LEU 51 HD2 LEU 51 -1.435 0.485 -1.322 345 3HD2 LEU 51 HD2 LEU 51 -1.756 -0.674 0.008 346 H LYS 52 HN LYS 52 -6.371 1.258 1.116 347 HA LYS 52 HA LYS 52 -8.152 0.665 -0.994 348 1HB LYS 52 HB2 LYS 52 -8.010 -0.230 1.470 349 2HB LYS 52 HB1 LYS 52 -8.860 1.206 1.958 350 1HG LYS 52 HG2 LYS 52 -10.764 0.440 0.345 351 2HG LYS 52 HG1 LYS 52 -9.906 -1.095 0.300 352 1HD LYS 52 HD2 LYS 52 -10.020 -1.200 2.854 353 2HD LYS 52 HD1 LYS 52 -10.976 0.256 2.820 354 1HE LYS 52 HE2 LYS 52 -12.566 -1.528 3.022 355 2HE LYS 52 HE1 LYS 52 -12.708 -0.928 1.383 356 1HZ LYS 52 HZ1 LYS 52 -10.754 -2.977 1.520 357 2HZ LYS 52 HZ2 LYS 52 -12.179 -2.929 0.585 358 3HZ LYS 52 HZ3 LYS 52 -12.204 -3.550 2.177 359 H GLY 53 HN GLY 53 -8.244 3.341 1.302 360 1HA GLY 53 HA2 GLY 53 -10.544 4.690 0.345 361 2HA GLY 53 HA1 GLY 53 -9.221 5.451 1.231 362 H ILE 54 HN ILE 54 -7.108 4.996 -0.554 363 HA ILE 54 HA ILE 54 -7.538 7.103 -2.452 364 HB ILE 54 HB ILE 54 -5.329 5.029 -2.079 365 1HG1 ILE 54 HG1 ILE 54 -5.221 8.046 -1.739 366 2HG1 ILE 54 HG1 ILE 54 -5.596 6.959 -0.430 367 1HG2 ILE 54 HG2 ILE 54 -5.429 5.485 -4.448 368 2HG2 ILE 54 HG2 ILE 54 -3.991 6.251 -3.738 369 3HG2 ILE 54 HG2 ILE 54 -5.428 7.250 -4.132 370 1HD1 ILE 54 HD1 ILE 54 -2.997 6.930 -2.061 371 2HD1 ILE 54 HD1 ILE 54 -3.404 5.791 -0.743 372 3HD1 ILE 54 HD1 ILE 54 -3.183 7.531 -0.393 373 H ALA 55 HN ALA 55 -6.820 3.694 -3.091 374 HA ALA 55 HA ALA 55 -7.255 3.614 -5.811 375 1HB ALA 55 HB1 ALA 55 -8.111 1.597 -3.689 376 2HB ALA 55 HB2 ALA 55 -6.497 1.718 -4.450 377 3HB ALA 55 HB3 ALA 55 -7.907 1.206 -5.423 378 H ARG 56 HN ARG 56 -9.711 3.498 -3.298 379 HA ARG 56 HA ARG 56 -11.945 2.961 -4.890 380 1HB ARG 56 HB2 ARG 56 -12.001 3.041 -2.358 381 2HB ARG 56 HB1 ARG 56 -11.820 4.777 -2.425 382 1HG ARG 56 HG2 ARG 56 -14.231 4.068 -2.074 383 2HG ARG 56 HG1 ARG 56 -14.016 5.068 -3.494 384 1HD ARG 56 HD2 ARG 56 -14.067 3.089 -4.977 385 2HD ARG 56 HD1 ARG 56 -14.126 2.005 -3.590 386 HE ARG 56 HE ARG 56 -16.348 3.907 -4.343 387 1HH1 ARG 56 HH1 ARG 56 -15.904 0.884 -4.923 388 2HH1 ARG 56 HH1 ARG 56 -17.070 0.163 -3.892 389 1HH2 ARG 56 HH2 ARG 56 -17.500 3.239 -2.136 390 2HH2 ARG 56 HH2 ARG 56 -17.994 1.593 -2.151 391 H GLY 57 HN GLY 57 -10.206 5.943 -4.719 392 1HA GLY 57 HA2 GLY 57 -12.392 7.351 -6.202 393 2HA GLY 57 HA1 GLY 57 -11.036 8.136 -5.388 394 H ILE 58 HN ILE 58 -10.430 5.321 -7.307 395 HA ILE 58 HA ILE 58 -9.282 7.094 -9.448 396 HB ILE 58 HB ILE 58 -8.241 4.332 -8.580 397 1HG1 ILE 58 HG1 ILE 58 -7.303 7.173 -7.889 398 2HG1 ILE 58 HG1 ILE 58 -7.890 5.967 -6.769 399 1HG2 ILE 58 HG2 ILE 58 -7.085 6.498 -10.367 400 2HG2 ILE 58 HG2 ILE 58 -7.791 4.952 -10.933 401 3HG2 ILE 58 HG2 ILE 58 -6.291 4.944 -9.974 402 1HD1 ILE 58 HD1 ILE 58 -5.909 4.514 -7.260 403 2HD1 ILE 58 HD1 ILE 58 -5.434 6.120 -6.634 404 3HD1 ILE 58 HD1 ILE 58 -5.288 5.762 -8.376 405 H HIS 59 HN HIS 59 -10.813 4.019 -8.780 406 HA HIS 59 HA HIS 59 -12.347 2.738 -10.044 407 1HB HIS 59 HB2 HIS 59 -13.216 5.117 -10.743 408 2HB HIS 59 HB1 HIS 59 -12.274 4.925 -12.203 409 HD1 HIS 59 HD1 HIS 59 -14.933 2.950 -10.405 410 HD2 HIS 59 HD2 HIS 59 -13.598 3.643 -14.201 411 HE1 HIS 59 HE1 HIS 59 -16.495 1.773 -11.931 412 H ASN 60 HN ASN 60 -10.289 4.339 -12.453 413 HA ASN 60 HA ASN 60 -9.736 1.736 -13.779 414 1HB ASN 60 HB2 ASN 60 -10.181 3.632 -15.280 415 2HB ASN 60 HB1 ASN 60 -9.013 4.633 -14.432 416 1HD2 ASN 60 HD2 ASN 60 -6.999 4.756 -15.459 417 2HD2 ASN 60 HD2 ASN 60 -6.414 3.600 -16.557 418 H LEU 61 HN LEU 61 -8.529 0.832 -12.008 419 HA LEU 61 HA LEU 61 -5.803 2.004 -11.614 420 1HB LEU 61 HB2 LEU 61 -7.752 0.704 -9.838 421 2HB LEU 61 HB1 LEU 61 -6.213 -0.101 -9.738 422 HG LEU 61 HG LEU 61 -6.512 2.910 -9.467 423 1HD1 LEU 61 HD1 LEU 61 -6.404 0.714 -7.390 424 2HD1 LEU 61 HD1 LEU 61 -7.789 1.801 -7.738 425 3HD1 LEU 61 HD1 LEU 61 -6.268 2.456 -7.052 426 1HD2 LEU 61 HD2 LEU 61 -4.349 0.950 -8.647 427 2HD2 LEU 61 HD2 LEU 61 -4.306 2.721 -8.392 428 3HD2 LEU 61 HD2 LEU 61 -4.241 2.064 -10.049 429 H ASN 62 HN ASN 62 -4.095 0.195 -11.145 430 HA ASN 62 HA ASN 62 -4.466 -1.988 -13.157 431 1HB ASN 62 HB2 ASN 62 -2.786 -0.085 -13.741 432 2HB ASN 62 HB1 ASN 62 -1.861 -0.708 -12.375 433 1HD2 ASN 62 HD2 ASN 62 -2.206 -1.105 -15.672 434 2HD2 ASN 62 HD2 ASN 62 -1.434 -2.620 -15.731 435 H GLU 63 HN GLU 63 -4.723 -3.847 -11.993 436 HA GLU 63 HA GLU 63 -3.589 -4.177 -9.318 437 1HB GLU 63 HB2 GLU 63 -5.446 -5.789 -11.024 438 2HB GLU 63 HB1 GLU 63 -4.296 -6.783 -10.155 439 1HG GLU 63 HG2 GLU 63 -5.785 -4.640 -8.585 440 2HG GLU 63 HG1 GLU 63 -6.623 -6.106 -9.008 441 H ASP 64 HN ASP 64 -2.707 -5.176 -12.530 442 HA ASP 64 HA ASP 64 -0.702 -7.087 -11.985 443 1HB ASP 64 HB2 ASP 64 -1.368 -6.859 -14.234 444 2HB ASP 64 HB1 ASP 64 -1.290 -5.117 -14.231 445 H ASN 65 HN ASN 65 -0.337 -3.582 -12.183 446 HA ASN 65 HA ASN 65 2.477 -3.663 -11.457 447 1HB ASN 65 HB2 ASN 65 0.458 -1.422 -11.563 448 2HB ASN 65 HB1 ASN 65 2.184 -1.142 -11.278 449 1HD2 ASN 65 HD2 ASN 65 0.289 -0.451 -13.639 450 2HD2 ASN 65 HD2 ASN 65 1.111 -1.110 -14.979 451 H ALA 66 HN ALA 66 -0.526 -2.835 -9.701 452 HA ALA 66 HA ALA 66 0.466 -2.130 -7.196 453 1HB ALA 66 HB1 ALA 66 -1.598 -3.013 -6.252 454 2HB ALA 66 HB2 ALA 66 -1.898 -3.950 -7.745 455 3HB ALA 66 HB3 ALA 66 -1.944 -2.160 -7.781 456 H ARG 67 HN ARG 67 -0.134 -5.406 -8.390 457 HA ARG 67 HA ARG 67 0.879 -6.672 -5.996 458 1HB ARG 67 HB2 ARG 67 -0.659 -7.400 -8.309 459 2HB ARG 67 HB1 ARG 67 0.804 -8.340 -8.411 460 1HG ARG 67 HG2 ARG 67 -0.885 -9.585 -7.250 461 2HG ARG 67 HG1 ARG 67 0.459 -9.225 -6.187 462 1HD ARG 67 HD2 ARG 67 -0.820 -7.704 -4.874 463 2HD ARG 67 HD1 ARG 67 -1.997 -7.404 -6.143 464 HE ARG 67 HE ARG 67 -1.741 -10.056 -4.700 465 1HH1 ARG 67 HH2 ARG 67 -3.473 -8.399 -7.012 466 2HH1 ARG 67 HH2 ARG 67 -5.025 -8.586 -6.370 467 1HH2 ARG 67 HH1 ARG 67 -3.755 -10.075 -3.367 468 2HH2 ARG 67 HH1 ARG 67 -5.207 -9.732 -4.190 469 H SER 68 HN SER 68 2.261 -5.450 -8.912 470 HA SER 68 HA SER 68 4.687 -7.089 -8.723 471 1HB SER 68 HB2 SER 68 3.918 -4.780 -10.528 472 2HB SER 68 HB1 SER 68 5.494 -5.596 -10.613 473 HG SER 68 HG SER 68 2.937 -6.558 -11.088 474 H ILE 69 HN ILE 69 3.678 -4.455 -7.020 475 HA ILE 69 HA ILE 69 6.192 -2.993 -6.811 476 HB ILE 69 HB ILE 69 3.607 -3.025 -5.147 477 1HG1 ILE 69 HG1 ILE 69 4.642 -0.775 -6.846 478 2HG1 ILE 69 HG1 ILE 69 3.618 -2.048 -7.487 479 1HG2 ILE 69 HG2 ILE 69 5.502 -2.414 -3.663 480 2HG2 ILE 69 HG2 ILE 69 4.458 -1.004 -3.992 481 3HG2 ILE 69 HG2 ILE 69 5.990 -1.216 -4.896 482 1HD1 ILE 69 HD1 ILE 69 2.345 -0.086 -6.700 483 2HD1 ILE 69 HD1 ILE 69 2.881 -0.359 -5.031 484 3HD1 ILE 69 HD1 ILE 69 1.879 -1.595 -5.832 485 HA PRO 70 HA PRO 70 6.711 -5.260 -2.647 486 1HB PRO 70 HB2 PRO 70 5.216 -7.561 -2.212 487 2HB PRO 70 HB1 PRO 70 4.792 -5.955 -1.597 488 1HG PRO 70 HG2 PRO 70 3.709 -7.418 -4.061 489 2HG PRO 70 HG1 PRO 70 2.871 -6.428 -2.890 490 1HD PRO 70 HD2 PRO 70 3.579 -5.371 -5.262 491 2HD PRO 70 HD1 PRO 70 3.567 -4.420 -3.762 492 HA PRO 71 HA PRO 71 8.136 -9.447 -4.544 493 1HB PRO 71 HB2 PRO 71 7.896 -9.723 -7.292 494 2HB PRO 71 HB1 PRO 71 6.698 -10.333 -6.151 495 1HG PRO 71 HG2 PRO 71 6.672 -7.675 -7.670 496 2HG PRO 71 HG1 PRO 71 5.389 -8.867 -7.497 497 1HD PRO 71 HD2 PRO 71 5.376 -6.744 -5.868 498 2HD PRO 71 HD1 PRO 71 4.976 -8.354 -5.236 499 H LYS 72 HN LYS 72 8.320 -6.929 -7.047 500 HA LYS 72 HA LYS 72 11.084 -7.233 -7.592 501 1HB LYS 72 HB2 LYS 72 11.010 -4.913 -8.419 502 2HB LYS 72 HB1 LYS 72 9.697 -5.877 -9.074 503 1HG LYS 72 HG2 LYS 72 8.511 -3.945 -8.538 504 2HG LYS 72 HG1 LYS 72 8.351 -4.824 -7.051 505 1HD LYS 72 HD2 LYS 72 8.953 -2.621 -6.372 506 2HD LYS 72 HD1 LYS 72 10.410 -3.537 -6.177 507 1HE LYS 72 HE2 LYS 72 11.106 -2.775 -8.531 508 2HE LYS 72 HE1 LYS 72 9.780 -1.632 -8.420 509 1HZ LYS 72 HZ1 LYS 72 12.332 -1.432 -7.274 510 2HZ LYS 72 HZ2 LYS 72 11.236 -1.558 -6.004 511 3HZ LYS 72 HZ3 LYS 72 11.068 -0.322 -7.122 512 H CYS 73 HN CYS 73 9.471 -5.488 -5.098 513 HA CYS 73 HA CYS 73 11.829 -4.058 -4.168 514 1HB CYS 73 HB2 CYS 73 9.295 -3.522 -3.939 515 2HB CYS 73 HB1 CYS 73 9.300 -4.731 -2.757 516 H GLY 74 HN GLY 74 10.026 -6.846 -2.927 517 1HA GLY 74 HA2 GLY 74 11.064 -8.816 -1.965 518 2HA GLY 74 HA1 GLY 74 12.519 -7.853 -1.631 519 H VAL 75 HN VAL 75 9.231 -6.951 -1.130 520 HA VAL 75 HA VAL 75 9.666 -6.862 1.827 521 HB VAL 75 HB VAL 75 8.527 -4.883 -0.205 522 1HG1 VAL 75 HG1 VAL 75 7.509 -3.501 1.477 523 2HG1 VAL 75 HG1 VAL 75 7.812 -4.753 2.727 524 3HG1 VAL 75 HG1 VAL 75 6.704 -5.087 1.359 525 1HG2 VAL 75 HG2 VAL 75 10.824 -4.689 0.593 526 2HG2 VAL 75 HG2 VAL 75 10.241 -4.554 2.279 527 3HG2 VAL 75 HG2 VAL 75 9.843 -3.282 1.078 528 H ASN 76 HN ASN 76 7.317 -7.451 -0.650 529 HA ASN 76 HA ASN 76 5.315 -8.692 -0.592 530 1HB ASN 76 HB2 ASN 76 7.144 -10.267 0.378 531 2HB ASN 76 HB1 ASN 76 6.346 -9.983 1.909 532 1HD2 ASN 76 HD2 ASN 76 4.046 -10.517 2.101 533 2HD2 ASN 76 HD2 ASN 76 3.311 -11.628 1.030 534 H LEU 77 HN LEU 77 4.163 -6.696 -0.017 535 HA LEU 77 HA LEU 77 3.504 -6.245 2.806 536 1HB LEU 77 HB2 LEU 77 3.008 -4.743 0.271 537 2HB LEU 77 HB1 LEU 77 1.575 -4.850 1.202 538 HG LEU 77 HG LEU 77 2.692 -3.925 3.185 539 1HD1 LEU 77 HD1 LEU 77 4.848 -2.848 3.009 540 2HD1 LEU 77 HD1 LEU 77 4.987 -3.421 1.318 541 3HD1 LEU 77 HD1 LEU 77 4.980 -4.593 2.672 542 1HD2 LEU 77 HD2 LEU 77 1.449 -2.437 1.733 543 2HD2 LEU 77 HD2 LEU 77 2.927 -2.142 0.760 544 3HD2 LEU 77 HD2 LEU 77 2.861 -1.637 2.472 545 HA PRO 78 HA PRO 78 -0.096 -8.797 2.905 546 1HB PRO 78 HB2 PRO 78 -1.593 -7.664 4.873 547 2HB PRO 78 HB1 PRO 78 -0.064 -8.485 5.234 548 1HG PRO 78 HG2 PRO 78 -0.518 -5.480 4.806 549 2HG PRO 78 HG1 PRO 78 0.308 -6.279 6.145 550 1HD PRO 78 HD2 PRO 78 1.716 -5.306 4.033 551 2HD PRO 78 HD1 PRO 78 2.245 -6.819 4.803 552 H TYR 79 HN TYR 79 -0.163 -5.534 1.889 553 HA TYR 79 HA TYR 79 -2.439 -6.032 0.201 554 1HB TYR 79 HB2 TYR 79 -3.762 -4.000 1.063 555 2HB TYR 79 HB1 TYR 79 -3.860 -5.429 2.048 556 HD1 TYR 79 HD1 TYR 79 -1.466 -2.480 1.834 557 HD2 TYR 79 HD2 TYR 79 -3.904 -5.026 4.238 558 HE1 TYR 79 HE1 TYR 79 -0.809 -1.250 3.797 559 HE2 TYR 79 HE2 TYR 79 -3.216 -3.767 6.233 560 HH TYR 79 HH TYR 79 -0.766 -2.123 6.553 561 H THR 80 HN THR 80 -3.020 -4.030 -1.084 562 HA THR 80 HA THR 80 -0.820 -2.056 -1.274 563 HB THR 80 HB THR 80 -0.008 -3.910 -2.673 564 HG1 THR 80 HG1 THR 80 0.274 -2.929 -4.486 565 1HG2 THR 80 HG2 THR 80 -2.725 -3.868 -4.039 566 2HG2 THR 80 HG2 THR 80 -2.141 -5.147 -2.927 567 3HG2 THR 80 HG2 THR 80 -1.323 -4.885 -4.490 568 H ILE 81 HN ILE 81 -1.777 -1.277 -3.871 569 HA ILE 81 HA ILE 81 -4.054 0.427 -3.058 570 HB ILE 81 HB ILE 81 -2.533 0.292 -5.719 571 1HG1 ILE 81 HG1 ILE 81 -1.351 2.413 -4.923 572 2HG1 ILE 81 HG1 ILE 81 -2.030 2.153 -3.341 573 1HG2 ILE 81 HG2 ILE 81 -4.710 1.339 -5.876 574 2HG2 ILE 81 HG2 ILE 81 -3.398 2.495 -6.143 575 3HG2 ILE 81 HG2 ILE 81 -4.259 2.484 -4.567 576 1HD1 ILE 81 HD1 ILE 81 0.329 1.466 -3.515 577 2HD1 ILE 81 HD1 ILE 81 -0.092 0.276 -4.789 578 3HD1 ILE 81 HD1 ILE 81 -0.669 0.050 -3.120 579 H SER 82 HN SER 82 -5.437 -1.553 -2.847 580 HA SER 82 HA SER 82 -7.023 -1.945 -5.302 581 1HB SER 82 HB2 SER 82 -5.243 -3.766 -5.498 582 2HB SER 82 HB1 SER 82 -5.761 -4.414 -3.937 583 HG SER 82 HG SER 82 -6.727 -5.276 -6.035 584 H LEU 83 HN LEU 83 -8.571 -3.982 -4.543 585 HA LEU 83 HA LEU 83 -9.664 -3.332 -1.827 586 1HB LEU 83 HB2 LEU 83 -11.290 -3.395 -4.394 587 2HB LEU 83 HB1 LEU 83 -11.946 -3.113 -2.805 588 HG LEU 83 HG LEU 83 -9.827 -1.273 -4.117 589 1HD1 LEU 83 HD1 LEU 83 -12.818 -0.842 -4.001 590 2HD1 LEU 83 HD1 LEU 83 -11.843 -1.223 -5.453 591 3HD1 LEU 83 HD1 LEU 83 -11.582 0.316 -4.593 592 1HD2 LEU 83 HD2 LEU 83 -9.896 -1.149 -1.715 593 2HD2 LEU 83 HD2 LEU 83 -11.661 -0.837 -1.755 594 3HD2 LEU 83 HD2 LEU 83 -10.509 0.356 -2.436 595 H ASN 84 HN ASN 84 -8.269 -5.550 -2.514 596 HA ASN 84 HA ASN 84 -10.298 -7.762 -2.661 597 1HB ASN 84 HB2 ASN 84 -8.835 -7.941 -4.510 598 2HB ASN 84 HB1 ASN 84 -7.431 -7.450 -3.601 599 1HD2 ASN 84 HD2 ASN 84 -9.398 -9.984 -2.135 600 2HD2 ASN 84 HD2 ASN 84 -8.335 -11.245 -2.560 601 H ILE 85 HN ILE 85 -7.575 -6.578 -0.834 602 HA ILE 85 HA ILE 85 -7.346 -8.852 0.902 603 HB ILE 85 HB ILE 85 -6.560 -5.948 1.465 604 1HG1 ILE 85 HG1 ILE 85 -4.190 -7.105 0.683 605 2HG1 ILE 85 HG1 ILE 85 -5.289 -7.990 -0.331 606 1HG2 ILE 85 HG2 ILE 85 -4.795 -6.932 2.885 607 2HG2 ILE 85 HG2 ILE 85 -5.457 -8.549 2.525 608 3HG2 ILE 85 HG2 ILE 85 -6.437 -7.334 3.426 609 1HD1 ILE 85 HD1 ILE 85 -5.160 -4.902 -0.243 610 2HD1 ILE 85 HD1 ILE 85 -6.169 -5.848 -1.364 611 3HD1 ILE 85 HD1 ILE 85 -4.409 -5.948 -1.489 612 H ASP 86 HN ASP 86 -7.911 -8.927 3.158 613 HA ASP 86 HA ASP 86 -10.602 -7.859 3.652 614 1HB ASP 86 HB2 ASP 86 -8.916 -9.752 5.357 615 2HB ASP 86 HB1 ASP 86 -10.631 -9.458 5.498 616 H CYS 87 HN CYS 87 -7.393 -7.734 5.038 617 HA CYS 87 HA CYS 87 -6.384 -6.319 6.593 618 1HB CYS 87 HB2 CYS 87 -8.588 -4.456 5.662 619 2HB CYS 87 HB1 CYS 87 -7.223 -3.980 6.620 620 H SER 88 HN SER 88 -8.771 -7.985 7.332 621 HA SER 88 HA SER 88 -9.797 -6.513 9.713 622 1HB SER 88 HB2 SER 88 -11.362 -7.819 8.144 623 2HB SER 88 HB1 SER 88 -10.600 -9.309 8.721 624 HG SER 88 HG SER 88 -12.401 -7.723 9.958 625 H ARG 89 HN ARG 89 -7.999 -9.455 8.884 626 HA ARG 89 HA ARG 89 -6.833 -9.402 11.626 627 1HB ARG 89 HB2 ARG 89 -8.756 -11.036 11.411 628 2HB ARG 89 HB1 ARG 89 -7.818 -11.913 10.215 629 1HG ARG 89 HG2 ARG 89 -6.087 -12.479 11.777 630 2HG ARG 89 HG1 ARG 89 -6.685 -11.371 12.995 631 1HD ARG 89 HD2 ARG 89 -8.165 -13.835 11.940 632 2HD ARG 89 HD1 ARG 89 -7.306 -13.745 13.478 633 HE ARG 89 HE ARG 89 -9.670 -11.994 12.800 634 1HH1 ARG 89 HH1 ARG 89 -7.807 -11.514 15.087 635 2HH1 ARG 89 HH1 ARG 89 -8.629 -12.170 16.455 636 1HH2 ARG 89 HH2 ARG 89 -10.814 -13.963 14.271 637 2HH2 ARG 89 HH2 ARG 89 -10.497 -13.695 15.940 638 H VAL 90 HN VAL 90 -5.439 -8.290 9.656 639 HA VAL 90 HA VAL 90 -3.518 -10.390 8.724 640 HB VAL 90 HB VAL 90 -2.844 -8.742 6.975 641 1HG1 VAL 90 HG1 VAL 90 -5.851 -9.038 7.132 642 2HG1 VAL 90 HG1 VAL 90 -4.697 -10.234 6.473 643 3HG1 VAL 90 HG1 VAL 90 -4.910 -8.663 5.652 644 1HG2 VAL 90 HG2 VAL 90 -3.177 -6.666 8.153 645 2HG2 VAL 90 HG2 VAL 90 -4.941 -6.927 8.167 646 3HG2 VAL 90 HG2 VAL 90 -4.087 -6.644 6.615 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 -1.200 4.560 15.193 2 2H ILE 1 HT2 ILE 1 -1.034 3.279 14.129 3 3H ILE 1 HT3 ILE 1 -2.407 4.288 14.031 4 HA ILE 1 HA ILE 1 -0.098 5.897 13.824 5 HB ILE 1 HB ILE 1 -0.464 3.738 11.645 6 1HG1 ILE 1 HG1 ILE 1 2.090 4.311 13.224 7 2HG1 ILE 1 HG1 ILE 1 0.969 3.096 13.762 8 1HG2 ILE 1 HG2 ILE 1 0.015 5.960 10.702 9 2HG2 ILE 1 HG2 ILE 1 1.373 4.835 10.482 10 3HG2 ILE 1 HG2 ILE 1 1.456 6.080 11.763 11 1HD1 ILE 1 HD1 ILE 1 2.382 3.124 11.036 12 2HD1 ILE 1 HD1 ILE 1 1.192 1.897 11.588 13 3HD1 ILE 1 HD1 ILE 1 2.747 2.091 12.439 14 H ASP 2 HN ASP 2 -0.694 7.674 12.488 15 HA ASP 2 HA ASP 2 -3.535 7.723 11.740 16 1HB ASP 2 HB2 ASP 2 -1.368 9.888 11.857 17 2HB ASP 2 HB1 ASP 2 -3.089 10.178 11.610 18 H CYS 3 HN CYS 3 -4.263 7.840 9.659 19 HA CYS 3 HA CYS 3 -2.582 6.871 7.545 20 1HB CYS 3 HB2 CYS 3 -5.094 6.570 7.785 21 2HB CYS 3 HB1 CYS 3 -5.265 8.233 7.251 22 H GLY 4 HN GLY 4 -3.128 10.025 8.735 23 1HA GLY 4 HA2 GLY 4 -2.788 11.619 6.405 24 2HA GLY 4 HA1 GLY 4 -2.285 12.124 8.016 25 H HIS 5 HN HIS 5 -0.447 9.957 8.378 26 HA HIS 5 HA HIS 5 1.846 11.032 6.825 27 1HB HIS 5 HB2 HIS 5 2.046 10.781 9.310 28 2HB HIS 5 HB1 HIS 5 1.678 9.073 9.167 29 HD1 HIS 5 HD1 HIS 5 4.327 11.421 7.954 30 HD2 HIS 5 HD2 HIS 5 3.855 7.468 8.826 31 HE1 HIS 5 HE1 HIS 5 6.581 10.374 7.753 32 H VAL 6 HN VAL 6 0.241 7.956 7.480 33 HA VAL 6 HA VAL 6 1.934 6.327 5.874 34 HB VAL 6 HB VAL 6 -1.050 5.908 6.276 35 1HG1 VAL 6 HG1 VAL 6 -0.101 4.545 4.524 36 2HG1 VAL 6 HG1 VAL 6 -0.348 3.523 5.962 37 3HG1 VAL 6 HG1 VAL 6 1.285 4.125 5.584 38 1HG2 VAL 6 HG2 VAL 6 1.296 4.948 7.958 39 2HG2 VAL 6 HG2 VAL 6 -0.429 4.488 8.173 40 3HG2 VAL 6 HG2 VAL 6 0.090 6.170 8.445 41 H ASP 7 HN ASP 7 -0.808 8.382 4.968 42 HA ASP 7 HA ASP 7 -1.248 7.415 2.388 43 1HB ASP 7 HB2 ASP 7 -2.081 9.755 3.849 44 2HB ASP 7 HB1 ASP 7 -1.300 10.382 2.422 45 H SER 8 HN SER 8 1.144 9.794 3.454 46 HA SER 8 HA SER 8 2.214 10.240 0.824 47 1HB SER 8 HB2 SER 8 4.235 10.923 2.669 48 2HB SER 8 HB1 SER 8 2.932 11.989 2.119 49 HG SER 8 HG SER 8 2.859 10.253 4.391 50 H LEU 9 HN LEU 9 2.804 7.748 3.284 51 HA LEU 9 HA LEU 9 5.303 6.908 2.203 52 1HB LEU 9 HB2 LEU 9 3.219 5.920 4.168 53 2HB LEU 9 HB1 LEU 9 4.484 4.881 3.680 54 HG LEU 9 HG LEU 9 4.940 7.673 4.881 55 1HD1 LEU 9 HD1 LEU 9 5.569 6.512 6.931 56 2HD1 LEU 9 HD1 LEU 9 5.109 4.951 6.199 57 3HD1 LEU 9 HD1 LEU 9 3.862 6.200 6.511 58 1HD2 LEU 9 HD2 LEU 9 7.225 6.873 5.281 59 2HD2 LEU 9 HD2 LEU 9 6.850 6.777 3.539 60 3HD2 LEU 9 HD2 LEU 9 6.800 5.299 4.548 61 H VAL 10 HN VAL 10 1.953 5.960 1.750 62 HA VAL 10 HA VAL 10 2.729 3.795 -0.132 63 HB VAL 10 HB VAL 10 0.250 3.398 -0.313 64 1HG1 VAL 10 HG1 VAL 10 -0.154 2.784 1.995 65 2HG1 VAL 10 HG1 VAL 10 1.226 3.778 2.524 66 3HG1 VAL 10 HG1 VAL 10 1.500 2.342 1.477 67 1HG2 VAL 10 HG2 VAL 10 -1.312 4.660 1.031 68 2HG2 VAL 10 HG2 VAL 10 -0.474 5.725 -0.140 69 3HG2 VAL 10 HG2 VAL 10 0.000 5.732 1.584 70 H ARG 11 HN ARG 11 2.103 7.099 -0.352 71 HA ARG 11 HA ARG 11 0.836 7.220 -2.898 72 1HB ARG 11 HB2 ARG 11 1.831 9.129 -0.992 73 2HB ARG 11 HB1 ARG 11 2.690 9.475 -2.468 74 1HG ARG 11 HG2 ARG 11 0.557 10.802 -2.192 75 2HG ARG 11 HG1 ARG 11 0.633 9.899 -3.699 76 1HD ARG 11 HD2 ARG 11 -0.870 8.217 -2.876 77 2HD ARG 11 HD1 ARG 11 -0.619 8.684 -1.215 78 HE ARG 11 HE ARG 11 -2.149 10.406 -3.174 79 1HH1 ARG 11 HH1 ARG 11 -3.067 8.058 -1.253 80 2HH1 ARG 11 HH1 ARG 11 -3.760 8.940 0.047 81 1HH2 ARG 11 HH2 ARG 11 -2.381 11.976 -1.079 82 2HH2 ARG 11 HH2 ARG 11 -3.349 11.201 0.144 83 HA PRO 12 HA PRO 12 5.191 7.578 -4.891 84 1HB PRO 12 HB2 PRO 12 7.171 6.057 -3.682 85 2HB PRO 12 HB1 PRO 12 6.929 7.774 -3.353 86 1HG PRO 12 HG2 PRO 12 5.807 5.351 -1.834 87 2HG PRO 12 HG1 PRO 12 6.694 6.723 -1.169 88 1HD PRO 12 HD2 PRO 12 4.073 6.773 -1.044 89 2HD PRO 12 HD1 PRO 12 4.871 8.258 -1.573 90 H CYS 13 HN CYS 13 4.025 4.385 -3.404 91 HA CYS 13 HA CYS 13 5.084 2.936 -5.563 92 1HB CYS 13 HB2 CYS 13 2.924 2.326 -3.566 93 2HB CYS 13 HB1 CYS 13 3.685 1.324 -4.647 94 H LEU 14 HN LEU 14 2.225 4.804 -5.073 95 HA LEU 14 HA LEU 14 0.469 3.606 -6.998 96 1HB LEU 14 HB2 LEU 14 0.681 6.594 -6.541 97 2HB LEU 14 HB1 LEU 14 -0.718 5.718 -7.122 98 HG LEU 14 HG LEU 14 0.431 5.717 -4.300 99 1HD1 LEU 14 HD1 LEU 14 -1.817 6.667 -3.826 100 2HD1 LEU 14 HD1 LEU 14 -2.193 6.609 -5.566 101 3HD1 LEU 14 HD1 LEU 14 -0.877 7.669 -4.984 102 1HD2 LEU 14 HD2 LEU 14 -1.405 4.257 -3.675 103 2HD2 LEU 14 HD2 LEU 14 -0.427 3.455 -4.927 104 3HD2 LEU 14 HD2 LEU 14 -1.959 4.256 -5.389 105 H SER 15 HN SER 15 3.110 5.850 -7.319 106 HA SER 15 HA SER 15 2.731 6.871 -9.895 107 1HB SER 15 HB2 SER 15 5.519 6.009 -8.987 108 2HB SER 15 HB1 SER 15 5.012 7.538 -9.712 109 HG SER 15 HG SER 15 5.076 6.816 -7.139 110 H TYR 16 HN TYR 16 3.531 3.653 -9.035 111 HA TYR 16 HA TYR 16 4.334 2.947 -11.817 112 1HB TYR 16 HB2 TYR 16 5.653 2.228 -9.933 113 2HB TYR 16 HB1 TYR 16 4.300 1.511 -9.150 114 HD1 TYR 16 HD1 TYR 16 3.513 -0.678 -9.775 115 HD2 TYR 16 HD2 TYR 16 6.772 1.069 -11.878 116 HE1 TYR 16 HE1 TYR 16 4.080 -2.828 -10.687 117 HE2 TYR 16 HE2 TYR 16 7.341 -1.114 -12.814 118 HH TYR 16 HH TYR 16 5.486 -3.486 -13.112 119 H VAL 17 HN VAL 17 2.026 2.203 -9.357 120 HA VAL 17 HA VAL 17 0.410 0.295 -10.676 121 HB VAL 17 HB VAL 17 -0.722 2.503 -8.917 122 1HG1 VAL 17 HG1 VAL 17 -2.423 1.184 -10.025 123 2HG1 VAL 17 HG1 VAL 17 -2.386 0.746 -8.294 124 3HG1 VAL 17 HG1 VAL 17 -1.618 -0.325 -9.504 125 1HG2 VAL 17 HG2 VAL 17 -0.306 0.884 -7.039 126 2HG2 VAL 17 HG2 VAL 17 1.177 1.501 -7.813 127 3HG2 VAL 17 HG2 VAL 17 0.545 -0.112 -8.265 128 H GLN 18 HN GLN 18 0.484 3.807 -11.213 129 HA GLN 18 HA GLN 18 -1.959 4.060 -12.527 130 1HB GLN 18 HB2 GLN 18 -1.097 6.175 -12.986 131 2HB GLN 18 HB1 GLN 18 -0.236 5.757 -11.561 132 1HG GLN 18 HG2 GLN 18 1.779 5.095 -12.937 133 2HG GLN 18 HG1 GLN 18 0.925 5.581 -14.384 134 1HE2 GLN 18 HE2 GLN 18 1.101 7.423 -11.227 135 2HE2 GLN 18 HE2 GLN 18 1.827 8.763 -11.994 136 H GLY 19 HN GLY 19 1.093 2.819 -13.622 137 1HA GLY 19 HA2 GLY 19 1.086 1.237 -15.536 138 2HA GLY 19 HA1 GLY 19 -0.118 2.229 -16.316 139 H GLY 20 HN GLY 20 2.767 3.337 -14.633 140 1HA GLY 20 HA2 GLY 20 4.024 4.120 -17.235 141 2HA GLY 20 HA1 GLY 20 3.780 5.324 -15.959 142 HA PRO 21 HA PRO 21 7.843 3.266 -15.205 143 1HB PRO 21 HB2 PRO 21 9.447 5.454 -15.167 144 2HB PRO 21 HB1 PRO 21 8.916 4.763 -16.703 145 1HG PRO 21 HG2 PRO 21 7.597 7.054 -15.128 146 2HG PRO 21 HG1 PRO 21 8.135 7.092 -16.811 147 1HD PRO 21 HD2 PRO 21 5.539 6.525 -16.183 148 2HD PRO 21 HD1 PRO 21 6.314 5.643 -17.527 149 H GLY 22 HN GLY 22 8.601 2.948 -13.090 150 1HA GLY 22 HA2 GLY 22 8.831 4.641 -10.965 151 2HA GLY 22 HA1 GLY 22 7.108 4.248 -10.976 152 HA PRO 23 HA PRO 23 6.522 3.848 -9.083 153 1HB PRO 23 HB2 PRO 23 6.743 3.262 -6.513 154 2HB PRO 23 HB1 PRO 23 5.846 2.202 -7.606 155 1HG PRO 23 HG2 PRO 23 8.693 1.884 -6.519 156 2HG PRO 23 HG1 PRO 23 7.439 0.676 -6.676 157 1HD PRO 23 HD2 PRO 23 9.434 0.989 -8.613 158 2HD PRO 23 HD1 PRO 23 7.807 0.381 -8.984 159 H SER 24 HN SER 24 9.443 3.346 -7.139 160 HA SER 24 HA SER 24 10.838 5.734 -7.650 161 1HB SER 24 HB2 SER 24 10.147 7.105 -5.608 162 2HB SER 24 HB1 SER 24 8.800 6.963 -6.745 163 HG SER 24 HG SER 24 7.953 5.375 -5.602 164 H GLY 25 HN GLY 25 12.481 6.155 -6.028 165 1HA GLY 25 HA2 GLY 25 13.430 3.666 -4.836 166 2HA GLY 25 HA1 GLY 25 14.206 5.247 -4.663 167 H GLN 26 HN GLN 26 11.129 5.836 -3.960 168 HA GLN 26 HA GLN 26 11.530 5.578 -0.990 169 1HB GLN 26 HB2 GLN 26 9.580 7.193 -2.744 170 2HB GLN 26 HB1 GLN 26 9.313 6.995 -1.034 171 1HG GLN 26 HG2 GLN 26 11.996 8.050 -1.825 172 2HG GLN 26 HG1 GLN 26 10.623 9.143 -1.998 173 1HE2 GLN 26 HE2 GLN 26 9.483 9.751 -0.070 174 2HE2 GLN 26 HE2 GLN 26 10.119 9.444 1.479 175 H CYS 27 HN CYS 27 9.564 4.359 -3.646 176 HA CYS 27 HA CYS 27 7.339 3.412 -2.176 177 1HB CYS 27 HB2 CYS 27 7.494 3.271 -4.598 178 2HB CYS 27 HB1 CYS 27 8.825 2.133 -4.471 179 H CYS 28 HN CYS 28 10.456 1.782 -2.700 180 HA CYS 28 HA CYS 28 9.597 -0.407 -0.963 181 1HB CYS 28 HB2 CYS 28 12.255 0.358 -2.244 182 2HB CYS 28 HB1 CYS 28 12.116 -1.013 -1.160 183 H ASP 29 HN ASP 29 12.234 1.993 -0.430 184 HA ASP 29 HA ASP 29 12.524 1.292 2.300 185 1HB ASP 29 HB2 ASP 29 13.622 3.263 0.472 186 2HB ASP 29 HB1 ASP 29 13.056 4.136 1.861 187 H GLY 30 HN GLY 30 10.352 3.562 0.754 188 1HA GLY 30 HA2 GLY 30 9.330 4.756 3.155 189 2HA GLY 30 HA1 GLY 30 8.541 4.795 1.587 190 H VAL 31 HN VAL 31 7.927 2.202 1.056 191 HA VAL 31 HA VAL 31 5.789 1.786 2.977 192 HB VAL 31 HB VAL 31 6.644 0.172 0.508 193 1HG1 VAL 31 HG1 VAL 31 3.982 0.410 2.007 194 2HG1 VAL 31 HG1 VAL 31 5.086 -0.990 2.050 195 3HG1 VAL 31 HG1 VAL 31 4.285 -0.538 0.516 196 1HG2 VAL 31 HG2 VAL 31 4.594 2.405 0.888 197 2HG2 VAL 31 HG2 VAL 31 4.865 1.442 -0.596 198 3HG2 VAL 31 HG2 VAL 31 6.139 2.542 0.004 199 H LYS 32 HN LYS 32 8.886 0.144 2.345 200 HA LYS 32 HA LYS 32 8.533 -2.179 3.881 201 1HB LYS 32 HB2 LYS 32 10.453 -1.601 2.326 202 2HB LYS 32 HB1 LYS 32 10.986 -0.399 3.468 203 1HG LYS 32 HG2 LYS 32 11.413 -2.236 5.116 204 2HG LYS 32 HG1 LYS 32 11.005 -3.402 3.866 205 1HD LYS 32 HD2 LYS 32 12.807 -2.279 2.377 206 2HD LYS 32 HD1 LYS 32 13.206 -1.231 3.711 207 1HE LYS 32 HE2 LYS 32 14.882 -2.896 3.771 208 2HE LYS 32 HE1 LYS 32 13.798 -3.314 5.083 209 1HZ LYS 32 HZ1 LYS 32 12.924 -4.556 2.674 210 2HZ LYS 32 HZ2 LYS 32 13.406 -5.276 4.135 211 3HZ LYS 32 HZ3 LYS 32 14.555 -4.913 2.939 212 H ASN 33 HN ASN 33 9.611 1.099 4.709 213 HA ASN 33 HA ASN 33 10.029 0.634 7.495 214 1HB ASN 33 HB2 ASN 33 9.579 3.061 5.733 215 2HB ASN 33 HB1 ASN 33 9.242 3.295 7.443 216 1HD2 ASN 33 HD2 ASN 33 11.749 2.952 5.137 217 2HD2 ASN 33 HD2 ASN 33 13.051 2.957 6.229 218 H LEU 34 HN LEU 34 7.210 1.970 5.878 219 HA LEU 34 HA LEU 34 5.460 2.192 8.043 220 1HB LEU 34 HB2 LEU 34 4.950 3.012 5.759 221 2HB LEU 34 HB1 LEU 34 5.008 1.388 5.144 222 HG LEU 34 HG LEU 34 2.992 0.818 6.547 223 1HD1 LEU 34 HD1 LEU 34 3.226 2.579 8.205 224 2HD1 LEU 34 HD1 LEU 34 1.656 2.676 7.379 225 3HD1 LEU 34 HD1 LEU 34 2.961 3.825 6.941 226 1HD2 LEU 34 HD2 LEU 34 2.770 3.020 4.501 227 2HD2 LEU 34 HD2 LEU 34 1.443 1.930 5.007 228 3HD2 LEU 34 HD2 LEU 34 2.880 1.265 4.179 229 H HIS 35 HN HIS 35 5.781 -0.549 5.870 230 HA HIS 35 HA HIS 35 3.994 -2.298 7.160 231 1HB HIS 35 HB2 HIS 35 5.150 -2.589 4.891 232 2HB HIS 35 HB1 HIS 35 6.572 -3.177 5.748 233 HD1 HIS 35 HD1 HIS 35 5.943 -5.557 4.582 234 HD2 HIS 35 HD2 HIS 35 3.224 -4.281 7.341 235 HE1 HIS 35 HE1 HIS 35 4.575 -7.513 5.148 236 H ASN 36 HN ASN 36 7.524 -2.129 7.533 237 HA ASN 36 HA ASN 36 7.884 -4.027 9.563 238 1HB ASN 36 HB2 ASN 36 9.775 -2.676 8.410 239 2HB ASN 36 HB1 ASN 36 9.293 -1.335 9.409 240 1HD2 ASN 36 HD2 ASN 36 10.431 -1.161 11.353 241 2HD2 ASN 36 HD2 ASN 36 11.148 -2.472 12.165 242 H GLN 37 HN GLN 37 6.785 -0.687 9.794 243 HA GLN 37 HA GLN 37 6.674 -0.876 12.731 244 1HB GLN 37 HB2 GLN 37 7.377 1.154 11.103 245 2HB GLN 37 HB1 GLN 37 5.656 1.471 11.145 246 1HG GLN 37 HG2 GLN 37 5.765 1.405 13.664 247 2HG GLN 37 HG1 GLN 37 7.522 1.299 13.532 248 1HE2 GLN 37 HE2 GLN 37 8.631 3.334 13.137 249 2HE2 GLN 37 HE2 GLN 37 7.796 4.778 12.805 250 H ALA 38 HN ALA 38 4.816 -2.492 11.013 251 HA ALA 38 HA ALA 38 2.236 -1.470 12.181 252 1HB ALA 38 HB1 ALA 38 1.149 -2.512 10.229 253 2HB ALA 38 HB2 ALA 38 2.748 -3.050 9.645 254 3HB ALA 38 HB3 ALA 38 2.367 -1.302 9.711 255 H ARG 39 HN ARG 39 3.572 -2.825 13.841 256 HA ARG 39 HA ARG 39 3.003 -5.722 13.664 257 1HB ARG 39 HB2 ARG 39 5.099 -4.532 14.491 258 2HB ARG 39 HB1 ARG 39 4.188 -4.107 15.910 259 1HG ARG 39 HG2 ARG 39 3.641 -6.554 16.254 260 2HG ARG 39 HG1 ARG 39 4.802 -6.921 14.988 261 1HD ARG 39 HD2 ARG 39 6.616 -5.837 16.281 262 2HD ARG 39 HD1 ARG 39 5.459 -5.299 17.493 263 HE ARG 39 HE ARG 39 4.940 -7.760 17.864 264 1HH1 ARG 39 HH1 ARG 39 6.969 -8.143 15.548 265 2HH1 ARG 39 HH1 ARG 39 8.282 -8.921 16.366 266 1HH2 ARG 39 HH2 ARG 39 6.888 -7.956 19.504 267 2HH2 ARG 39 HH2 ARG 39 8.233 -8.800 18.830 268 H SER 40 HN SER 40 1.496 -2.896 14.783 269 HA SER 40 HA SER 40 -0.041 -4.390 16.860 270 1HB SER 40 HB2 SER 40 -0.434 -1.432 16.276 271 2HB SER 40 HB1 SER 40 -0.630 -2.303 17.799 272 HG SER 40 HG SER 40 1.507 -1.145 16.814 273 H GLN 41 HN GLN 41 -2.221 -4.730 16.763 274 HA GLN 41 HA GLN 41 -3.491 -5.191 14.336 275 1HB GLN 41 HB2 GLN 41 -4.230 -5.795 16.824 276 2HB GLN 41 HB1 GLN 41 -5.105 -4.274 16.759 277 1HG GLN 41 HG2 GLN 41 -6.423 -5.019 14.847 278 2HG GLN 41 HG1 GLN 41 -5.433 -6.466 14.658 279 1HE2 GLN 41 HE2 GLN 41 -5.574 -8.104 16.467 280 2HE2 GLN 41 HE2 GLN 41 -6.984 -8.127 17.416 281 H SER 42 HN SER 42 -3.511 -2.234 16.214 282 HA SER 42 HA SER 42 -5.307 -0.855 14.379 283 1HB SER 42 HB2 SER 42 -4.578 -0.375 17.033 284 2HB SER 42 HB1 SER 42 -3.664 0.872 16.176 285 HG SER 42 HG SER 42 -5.500 1.730 15.457 286 H ASP 43 HN ASP 43 -1.779 -1.117 14.605 287 HA ASP 43 HA ASP 43 -1.258 1.149 12.975 288 1HB ASP 43 HB2 ASP 43 0.263 -1.245 14.087 289 2HB ASP 43 HB1 ASP 43 1.041 -0.095 13.141 290 H ARG 44 HN ARG 44 -1.817 -2.196 12.415 291 HA ARG 44 HA ARG 44 -0.949 -2.144 9.603 292 1HB ARG 44 HB2 ARG 44 -0.938 -4.217 11.011 293 2HB ARG 44 HB1 ARG 44 -2.682 -4.156 11.139 294 1HG ARG 44 HG2 ARG 44 -2.395 -4.083 8.385 295 2HG ARG 44 HG1 ARG 44 -0.914 -4.905 8.813 296 1HD ARG 44 HD2 ARG 44 -2.727 -6.528 8.402 297 2HD ARG 44 HD1 ARG 44 -2.184 -6.596 10.083 298 HE ARG 44 HE ARG 44 -4.486 -4.817 9.432 299 1HH1 ARG 44 HH2 ARG 44 -3.961 -8.018 9.866 300 2HH1 ARG 44 HH2 ARG 44 -4.913 -8.289 11.276 301 1HH2 ARG 44 HH1 ARG 44 -5.532 -4.726 11.568 302 2HH2 ARG 44 HH1 ARG 44 -5.996 -6.234 12.202 303 H GLN 45 HN GLN 45 -4.094 -2.362 11.278 304 HA GLN 45 HA GLN 45 -5.841 -2.172 9.114 305 1HB GLN 45 HB2 GLN 45 -5.927 -1.845 12.015 306 2HB GLN 45 HB1 GLN 45 -6.766 -0.511 11.347 307 1HG GLN 45 HG2 GLN 45 -8.610 -1.872 11.497 308 2HG GLN 45 HG1 GLN 45 -8.019 -2.572 10.005 309 1HE2 GLN 45 HE2 GLN 45 -9.078 -4.542 10.771 310 2HE2 GLN 45 HE2 GLN 45 -8.279 -5.625 11.791 311 H SER 46 HN SER 46 -4.284 0.421 10.988 312 HA SER 46 HA SER 46 -5.455 2.671 9.784 313 1HB SER 46 HB2 SER 46 -2.691 2.167 10.985 314 2HB SER 46 HB1 SER 46 -3.089 3.748 10.304 315 HG SER 46 HG SER 46 -3.964 4.086 12.102 316 H ALA 47 HN ALA 47 -2.258 1.391 8.905 317 HA ALA 47 HA ALA 47 -2.039 2.896 6.509 318 1HB ALA 47 HB1 ALA 47 -0.307 1.168 5.861 319 2HB ALA 47 HB2 ALA 47 -0.935 0.112 7.152 320 3HB ALA 47 HB3 ALA 47 -0.134 1.642 7.591 321 H CYS 48 HN CYS 48 -3.487 -0.326 7.046 322 HA CYS 48 HA CYS 48 -3.932 -1.023 4.427 323 1HB CYS 48 HB2 CYS 48 -5.282 -1.463 7.088 324 2HB CYS 48 HB1 CYS 48 -5.863 -2.192 5.652 325 H ASN 49 HN ASN 49 -5.829 1.121 6.540 326 HA ASN 49 HA ASN 49 -7.921 1.424 4.547 327 1HB ASN 49 HB2 ASN 49 -7.279 2.756 7.183 328 2HB ASN 49 HB1 ASN 49 -8.339 3.654 6.102 329 1HD2 ASN 49 HD2 ASN 49 -8.582 1.332 8.435 330 2HD2 ASN 49 HD2 ASN 49 -10.023 0.667 7.792 331 H CYS 50 HN CYS 50 -4.936 3.070 5.014 332 HA CYS 50 HA CYS 50 -5.460 5.361 3.382 333 1HB CYS 50 HB2 CYS 50 -2.818 3.844 3.640 334 2HB CYS 50 HB1 CYS 50 -3.027 5.517 3.200 335 H LEU 51 HN LEU 51 -4.045 2.251 2.524 336 HA LEU 51 HA LEU 51 -3.901 2.739 -0.299 337 1HB LEU 51 HB2 LEU 51 -4.252 0.084 1.163 338 2HB LEU 51 HB1 LEU 51 -3.999 0.180 -0.555 339 HG LEU 51 HG LEU 51 -1.857 1.613 0.066 340 1HD1 LEU 51 HD1 LEU 51 -2.514 0.205 2.623 341 2HD1 LEU 51 HD1 LEU 51 -2.263 1.952 2.370 342 3HD1 LEU 51 HD1 LEU 51 -0.874 0.844 2.252 343 1HD2 LEU 51 HD2 LEU 51 -1.720 -0.559 -1.008 344 2HD2 LEU 51 HD2 LEU 51 -1.949 -1.353 0.577 345 3HD2 LEU 51 HD2 LEU 51 -0.474 -0.390 0.260 346 H LYS 52 HN LYS 52 -6.467 1.392 1.634 347 HA LYS 52 HA LYS 52 -8.262 0.646 -0.426 348 1HB LYS 52 HB2 LYS 52 -8.188 0.261 2.106 349 2HB LYS 52 HB1 LYS 52 -8.885 1.852 2.281 350 1HG LYS 52 HG2 LYS 52 -10.853 1.076 0.930 351 2HG LYS 52 HG1 LYS 52 -10.125 -0.544 0.926 352 1HD LYS 52 HD2 LYS 52 -9.859 -0.262 3.463 353 2HD LYS 52 HD1 LYS 52 -10.881 1.162 3.335 354 1HE LYS 52 HE2 LYS 52 -12.657 -0.287 2.326 355 2HE LYS 52 HE1 LYS 52 -11.595 -1.673 2.579 356 1HZ LYS 52 HZ1 LYS 52 -11.594 -0.280 5.030 357 2HZ LYS 52 HZ2 LYS 52 -12.321 -1.708 4.740 358 3HZ LYS 52 HZ3 LYS 52 -13.207 -0.297 4.563 359 H GLY 53 HN GLY 53 -8.306 3.667 1.447 360 1HA GLY 53 HA2 GLY 53 -10.280 5.070 0.003 361 2HA GLY 53 HA1 GLY 53 -8.931 5.842 0.855 362 H ILE 54 HN ILE 54 -6.819 4.787 -0.605 363 HA ILE 54 HA ILE 54 -6.664 6.561 -2.814 364 HB ILE 54 HB ILE 54 -5.031 4.136 -1.956 365 1HG1 ILE 54 HG1 ILE 54 -4.449 7.096 -1.884 366 2HG1 ILE 54 HG1 ILE 54 -5.067 6.219 -0.513 367 1HG2 ILE 54 HG2 ILE 54 -3.315 4.834 -3.503 368 2HG2 ILE 54 HG2 ILE 54 -4.415 6.076 -4.175 369 3HG2 ILE 54 HG2 ILE 54 -4.795 4.330 -4.354 370 1HD1 ILE 54 HD1 ILE 54 -3.078 4.710 -0.514 371 2HD1 ILE 54 HD1 ILE 54 -2.631 6.403 -0.234 372 3HD1 ILE 54 HD1 ILE 54 -2.347 5.660 -1.843 373 H ALA 55 HN ALA 55 -6.602 3.012 -2.985 374 HA ALA 55 HA ALA 55 -6.925 2.750 -5.729 375 1HB ALA 55 HB1 ALA 55 -8.169 1.060 -3.492 376 2HB ALA 55 HB2 ALA 55 -6.539 0.841 -4.189 377 3HB ALA 55 HB3 ALA 55 -7.977 0.520 -5.196 378 H ARG 56 HN ARG 56 -9.358 3.396 -3.353 379 HA ARG 56 HA ARG 56 -11.638 3.053 -5.043 380 1HB ARG 56 HB2 ARG 56 -11.243 3.467 -2.332 381 2HB ARG 56 HB1 ARG 56 -11.747 5.066 -2.818 382 1HG ARG 56 HG2 ARG 56 -13.743 3.957 -2.218 383 2HG ARG 56 HG1 ARG 56 -13.749 4.012 -3.967 384 1HD ARG 56 HD2 ARG 56 -12.494 1.596 -3.685 385 2HD ARG 56 HD1 ARG 56 -13.258 1.668 -2.108 386 HE ARG 56 HE ARG 56 -15.462 1.888 -3.253 387 1HH1 ARG 56 HH2 ARG 56 -14.058 2.651 -5.781 388 2HH1 ARG 56 HH2 ARG 56 -14.302 1.298 -6.819 389 1HH2 ARG 56 HH1 ARG 56 -15.206 -0.677 -3.952 390 2HH2 ARG 56 HH1 ARG 56 -15.008 -0.800 -5.656 391 H GLY 57 HN GLY 57 -9.330 5.512 -5.237 392 1HA GLY 57 HA2 GLY 57 -11.257 7.245 -6.708 393 2HA GLY 57 HA1 GLY 57 -10.004 7.912 -5.669 394 H ILE 58 HN ILE 58 -9.489 5.129 -7.777 395 HA ILE 58 HA ILE 58 -7.560 6.821 -9.333 396 HB ILE 58 HB ILE 58 -7.748 3.794 -9.174 397 1HG1 ILE 58 HG1 ILE 58 -7.265 4.724 -6.936 398 2HG1 ILE 58 HG1 ILE 58 -5.944 3.770 -7.543 399 1HG2 ILE 58 HG2 ILE 58 -5.407 3.858 -9.971 400 2HG2 ILE 58 HG2 ILE 58 -5.534 5.635 -10.133 401 3HG2 ILE 58 HG2 ILE 58 -6.561 4.571 -11.136 402 1HD1 ILE 58 HD1 ILE 58 -4.718 5.832 -8.176 403 2HD1 ILE 58 HD1 ILE 58 -5.144 5.812 -6.443 404 3HD1 ILE 58 HD1 ILE 58 -6.088 6.822 -7.575 405 H HIS 59 HN HIS 59 -8.076 7.268 -11.390 406 HA HIS 59 HA HIS 59 -10.588 6.376 -12.551 407 1HB HIS 59 HB2 HIS 59 -9.431 8.653 -12.994 408 2HB HIS 59 HB1 HIS 59 -8.323 7.790 -14.055 409 HD1 HIS 59 HD1 HIS 59 -10.490 5.918 -15.356 410 HD2 HIS 59 HD2 HIS 59 -10.928 9.965 -14.920 411 HE1 HIS 59 HE1 HIS 59 -12.127 6.636 -17.050 412 H ASN 60 HN ASN 60 -7.202 5.603 -13.077 413 HA ASN 60 HA ASN 60 -8.012 3.192 -14.658 414 1HB ASN 60 HB2 ASN 60 -5.936 3.561 -16.064 415 2HB ASN 60 HB1 ASN 60 -7.130 4.839 -16.279 416 1HD2 ASN 60 HD2 ASN 60 -3.768 4.369 -15.587 417 2HD2 ASN 60 HD2 ASN 60 -3.535 5.947 -15.024 418 H LEU 61 HN LEU 61 -7.767 2.333 -12.393 419 HA LEU 61 HA LEU 61 -5.084 2.149 -11.277 420 1HB LEU 61 HB2 LEU 61 -7.375 2.073 -10.063 421 2HB LEU 61 HB1 LEU 61 -7.553 0.463 -10.682 422 HG LEU 61 HG LEU 61 -5.132 1.156 -8.941 423 1HD1 LEU 61 HD1 LEU 61 -7.870 0.158 -8.090 424 2HD1 LEU 61 HD1 LEU 61 -7.232 1.800 -7.780 425 3HD1 LEU 61 HD1 LEU 61 -6.436 0.384 -7.041 426 1HD2 LEU 61 HD2 LEU 61 -5.142 -1.006 -10.176 427 2HD2 LEU 61 HD2 LEU 61 -6.728 -1.387 -9.450 428 3HD2 LEU 61 HD2 LEU 61 -5.273 -1.231 -8.414 429 H ASN 62 HN ASN 62 -3.626 0.443 -11.461 430 HA ASN 62 HA ASN 62 -4.328 -1.686 -13.455 431 1HB ASN 62 HB2 ASN 62 -2.609 -0.054 -14.230 432 2HB ASN 62 HB1 ASN 62 -1.670 -0.451 -12.796 433 1HD2 ASN 62 HD2 ASN 62 -0.795 -0.767 -15.529 434 2HD2 ASN 62 HD2 ASN 62 -0.400 -2.424 -15.622 435 H GLU 63 HN GLU 63 -4.924 -3.330 -12.097 436 HA GLU 63 HA GLU 63 -3.719 -3.927 -9.607 437 1HB GLU 63 HB2 GLU 63 -4.967 -6.125 -9.891 438 2HB GLU 63 HB1 GLU 63 -5.972 -4.748 -10.300 439 1HG GLU 63 HG2 GLU 63 -4.996 -5.275 -12.789 440 2HG GLU 63 HG1 GLU 63 -4.821 -6.868 -12.084 441 H ASP 64 HN ASP 64 -2.739 -4.717 -12.828 442 HA ASP 64 HA ASP 64 -0.965 -6.884 -12.140 443 1HB ASP 64 HB2 ASP 64 -1.871 -5.850 -14.550 444 2HB ASP 64 HB1 ASP 64 -0.255 -5.164 -14.484 445 H ASN 65 HN ASN 65 -0.542 -3.410 -12.425 446 HA ASN 65 HA ASN 65 2.309 -3.512 -11.848 447 1HB ASN 65 HB2 ASN 65 0.243 -1.301 -11.988 448 2HB ASN 65 HB1 ASN 65 1.940 -0.971 -11.665 449 1HD2 ASN 65 HD2 ASN 65 1.996 0.257 -13.688 450 2HD2 ASN 65 HD2 ASN 65 2.064 -0.557 -15.183 451 H ALA 66 HN ALA 66 -0.599 -2.513 -10.024 452 HA ALA 66 HA ALA 66 0.580 -1.850 -7.553 453 1HB ALA 66 HB1 ALA 66 -1.554 -2.524 -6.524 454 2HB ALA 66 HB2 ALA 66 -1.985 -3.380 -8.035 455 3HB ALA 66 HB3 ALA 66 -1.846 -1.597 -8.016 456 H ARG 67 HN ARG 67 -0.205 -4.986 -8.792 457 HA ARG 67 HA ARG 67 0.578 -6.477 -6.432 458 1HB ARG 67 HB2 ARG 67 -1.176 -7.080 -8.074 459 2HB ARG 67 HB1 ARG 67 0.018 -7.146 -9.339 460 1HG ARG 67 HG2 ARG 67 1.106 -9.042 -8.031 461 2HG ARG 67 HG1 ARG 67 -0.346 -9.050 -7.023 462 1HD ARG 67 HD2 ARG 67 -1.487 -8.934 -9.572 463 2HD ARG 67 HD1 ARG 67 -0.015 -9.830 -9.907 464 HE ARG 67 HE ARG 67 -1.946 -10.698 -7.776 465 1HH1 ARG 67 HH2 ARG 67 -2.565 -11.538 -10.454 466 2HH1 ARG 67 HH2 ARG 67 -1.791 -13.071 -10.646 467 1HH2 ARG 67 HH1 ARG 67 0.306 -12.388 -7.823 468 2HH2 ARG 67 HH1 ARG 67 -0.018 -13.574 -9.018 469 H SER 68 HN SER 68 2.140 -5.293 -9.312 470 HA SER 68 HA SER 68 4.484 -7.025 -9.039 471 1HB SER 68 HB2 SER 68 3.740 -6.362 -11.279 472 2HB SER 68 HB1 SER 68 3.892 -4.677 -10.903 473 HG SER 68 HG SER 68 5.906 -4.894 -11.439 474 H ILE 69 HN ILE 69 3.553 -4.219 -7.425 475 HA ILE 69 HA ILE 69 6.198 -3.016 -7.230 476 HB ILE 69 HB ILE 69 3.690 -2.581 -5.471 477 1HG1 ILE 69 HG1 ILE 69 4.793 -0.936 -7.773 478 2HG1 ILE 69 HG1 ILE 69 3.548 -2.133 -7.991 479 1HG2 ILE 69 HG2 ILE 69 6.156 -0.846 -5.859 480 2HG2 ILE 69 HG2 ILE 69 5.819 -1.820 -4.395 481 3HG2 ILE 69 HG2 ILE 69 4.722 -0.494 -4.846 482 1HD1 ILE 69 HD1 ILE 69 2.079 -0.919 -6.399 483 2HD1 ILE 69 HD1 ILE 69 2.618 0.067 -7.802 484 3HD1 ILE 69 HD1 ILE 69 3.335 0.337 -6.197 485 HA PRO 70 HA PRO 70 6.363 -5.053 -2.872 486 1HB PRO 70 HB2 PRO 70 4.742 -7.296 -2.469 487 2HB PRO 70 HB1 PRO 70 4.346 -5.663 -1.924 488 1HG PRO 70 HG2 PRO 70 3.375 -7.117 -4.428 489 2HG PRO 70 HG1 PRO 70 2.503 -6.077 -3.335 490 1HD PRO 70 HD2 PRO 70 3.391 -5.102 -5.666 491 2HD PRO 70 HD1 PRO 70 3.350 -4.100 -4.208 492 HA PRO 71 HA PRO 71 7.726 -9.348 -4.492 493 1HB PRO 71 HB2 PRO 71 7.603 -9.822 -7.218 494 2HB PRO 71 HB1 PRO 71 6.308 -10.261 -6.101 495 1HG PRO 71 HG2 PRO 71 6.535 -7.714 -7.814 496 2HG PRO 71 HG1 PRO 71 5.168 -8.813 -7.648 497 1HD PRO 71 HD2 PRO 71 5.213 -6.589 -6.172 498 2HD PRO 71 HD1 PRO 71 4.655 -8.124 -5.471 499 H LYS 72 HN LYS 72 8.242 -7.038 -7.172 500 HA LYS 72 HA LYS 72 11.007 -7.568 -7.468 501 1HB LYS 72 HB2 LYS 72 11.196 -5.367 -8.476 502 2HB LYS 72 HB1 LYS 72 9.734 -6.153 -9.066 503 1HG LYS 72 HG2 LYS 72 8.351 -4.810 -7.610 504 2HG LYS 72 HG1 LYS 72 9.702 -4.140 -6.752 505 1HD LYS 72 HD2 LYS 72 10.435 -3.368 -9.235 506 2HD LYS 72 HD1 LYS 72 8.710 -3.546 -9.489 507 1HE LYS 72 HE2 LYS 72 9.212 -1.300 -8.789 508 2HE LYS 72 HE1 LYS 72 8.215 -2.081 -7.585 509 1HZ LYS 72 HZ1 LYS 72 10.949 -2.569 -6.906 510 2HZ LYS 72 HZ2 LYS 72 9.749 -1.775 -6.039 511 3HZ LYS 72 HZ3 LYS 72 10.734 -0.902 -7.097 512 H CYS 73 HN CYS 73 9.366 -5.410 -5.288 513 HA CYS 73 HA CYS 73 11.611 -4.009 -4.278 514 1HB CYS 73 HB2 CYS 73 9.154 -3.568 -4.094 515 2HB CYS 73 HB1 CYS 73 9.052 -4.832 -2.959 516 H GLY 74 HN GLY 74 9.966 -6.778 -2.770 517 1HA GLY 74 HA2 GLY 74 11.361 -8.664 -1.941 518 2HA GLY 74 HA1 GLY 74 12.597 -7.502 -1.500 519 H VAL 75 HN VAL 75 9.410 -6.494 -0.763 520 HA VAL 75 HA VAL 75 9.796 -7.295 2.065 521 HB VAL 75 HB VAL 75 8.602 -5.223 2.601 522 1HG1 VAL 75 HG1 VAL 75 10.739 -4.735 0.502 523 2HG1 VAL 75 HG1 VAL 75 10.992 -5.046 2.245 524 3HG1 VAL 75 HG1 VAL 75 10.177 -3.542 1.697 525 1HG2 VAL 75 HG2 VAL 75 8.400 -4.735 -0.374 526 2HG2 VAL 75 HG2 VAL 75 7.922 -3.595 0.914 527 3HG2 VAL 75 HG2 VAL 75 7.042 -5.138 0.725 528 H ASN 76 HN ASN 76 7.628 -7.290 -0.583 529 HA ASN 76 HA ASN 76 5.538 -8.269 -0.851 530 1HB ASN 76 HB2 ASN 76 7.103 -10.168 -0.062 531 2HB ASN 76 HB1 ASN 76 6.268 -10.044 1.475 532 1HD2 ASN 76 HD2 ASN 76 3.929 -10.314 1.534 533 2HD2 ASN 76 HD2 ASN 76 3.144 -11.249 0.342 534 H LEU 77 HN LEU 77 4.418 -6.314 -0.032 535 HA LEU 77 HA LEU 77 3.628 -6.096 2.689 536 1HB LEU 77 HB2 LEU 77 2.930 -4.661 0.172 537 2HB LEU 77 HB1 LEU 77 1.507 -4.917 1.113 538 HG LEU 77 HG LEU 77 2.528 -3.967 3.101 539 1HD1 LEU 77 HD1 LEU 77 4.903 -4.414 2.613 540 2HD1 LEU 77 HD1 LEU 77 4.599 -2.693 2.960 541 3HD1 LEU 77 HD1 LEU 77 4.822 -3.232 1.269 542 1HD2 LEU 77 HD2 LEU 77 2.689 -2.079 0.736 543 2HD2 LEU 77 HD2 LEU 77 2.539 -1.636 2.465 544 3HD2 LEU 77 HD2 LEU 77 1.222 -2.530 1.670 545 HA PRO 78 HA PRO 78 0.293 -8.968 2.732 546 1HB PRO 78 HB2 PRO 78 -1.000 -7.778 5.047 547 2HB PRO 78 HB1 PRO 78 0.109 -9.143 5.015 548 1HG PRO 78 HG2 PRO 78 0.802 -6.709 6.169 549 2HG PRO 78 HG1 PRO 78 1.977 -7.831 5.486 550 1HD PRO 78 HD2 PRO 78 0.724 -5.409 4.072 551 2HD PRO 78 HD1 PRO 78 2.434 -5.844 4.211 552 H TYR 79 HN TYR 79 -0.121 -5.856 1.769 553 HA TYR 79 HA TYR 79 -2.642 -6.383 0.552 554 1HB TYR 79 HB2 TYR 79 -3.994 -4.568 1.842 555 2HB TYR 79 HB1 TYR 79 -3.626 -5.976 2.822 556 HD1 TYR 79 HD1 TYR 79 -1.949 -5.861 4.613 557 HD2 TYR 79 HD2 TYR 79 -2.749 -2.517 2.117 558 HE1 TYR 79 HE1 TYR 79 -0.677 -4.411 6.139 559 HE2 TYR 79 HE2 TYR 79 -1.467 -1.100 3.637 560 HH TYR 79 HH TYR 79 -0.333 -2.121 6.644 561 H THR 80 HN THR 80 -2.894 -5.095 -1.209 562 HA THR 80 HA THR 80 -1.195 -2.656 -1.397 563 HB THR 80 HB THR 80 -0.062 -4.126 -2.895 564 HG1 THR 80 HG1 THR 80 -0.436 -3.219 -4.727 565 1HG2 THR 80 HG2 THR 80 -2.735 -5.243 -3.766 566 2HG2 THR 80 HG2 THR 80 -1.617 -6.057 -2.629 567 3HG2 THR 80 HG2 THR 80 -1.129 -5.791 -4.327 568 H ILE 81 HN ILE 81 -2.114 -1.204 -3.347 569 HA ILE 81 HA ILE 81 -4.846 -0.654 -2.685 570 HB ILE 81 HB ILE 81 -4.483 1.104 -4.317 571 1HG1 ILE 81 HG1 ILE 81 -1.530 0.744 -4.586 572 2HG1 ILE 81 HG1 ILE 81 -2.548 -0.304 -5.568 573 1HG2 ILE 81 HG2 ILE 81 -2.820 2.423 -3.099 574 2HG2 ILE 81 HG2 ILE 81 -2.349 0.949 -2.204 575 3HG2 ILE 81 HG2 ILE 81 -4.021 1.590 -2.085 576 1HD1 ILE 81 HD1 ILE 81 -3.037 2.673 -5.347 577 2HD1 ILE 81 HD1 ILE 81 -3.781 1.524 -6.481 578 3HD1 ILE 81 HD1 ILE 81 -2.046 1.963 -6.655 579 H SER 82 HN SER 82 -5.117 -3.079 -3.670 580 HA SER 82 HA SER 82 -6.280 -2.655 -6.421 581 1HB SER 82 HB2 SER 82 -4.230 -4.668 -5.567 582 2HB SER 82 HB1 SER 82 -5.546 -5.366 -6.500 583 HG SER 82 HG SER 82 -4.782 -4.499 -8.154 584 H LEU 83 HN LEU 83 -7.502 -2.644 -3.787 585 HA LEU 83 HA LEU 83 -9.271 -3.687 -2.512 586 1HB LEU 83 HB2 LEU 83 -10.289 -3.976 -5.362 587 2HB LEU 83 HB1 LEU 83 -11.258 -3.919 -3.911 588 HG LEU 83 HG LEU 83 -9.580 -1.647 -5.083 589 1HD1 LEU 83 HD1 LEU 83 -11.762 -0.528 -5.265 590 2HD1 LEU 83 HD1 LEU 83 -12.539 -2.011 -4.625 591 3HD1 LEU 83 HD1 LEU 83 -11.680 -2.045 -6.198 592 1HD2 LEU 83 HD2 LEU 83 -10.443 -0.249 -3.267 593 2HD2 LEU 83 HD2 LEU 83 -9.416 -1.569 -2.652 594 3HD2 LEU 83 HD2 LEU 83 -11.194 -1.693 -2.507 595 H ASN 84 HN ASN 84 -7.183 -5.574 -3.183 596 HA ASN 84 HA ASN 84 -8.790 -8.093 -3.419 597 1HB ASN 84 HB2 ASN 84 -6.707 -7.259 -5.114 598 2HB ASN 84 HB1 ASN 84 -5.856 -8.295 -3.983 599 1HD2 ASN 84 HD2 ASN 84 -9.194 -8.679 -5.269 600 2HD2 ASN 84 HD2 ASN 84 -8.866 -10.189 -5.976 601 H ILE 85 HN ILE 85 -7.964 -6.421 -1.026 602 HA ILE 85 HA ILE 85 -7.071 -8.696 0.596 603 HB ILE 85 HB ILE 85 -5.354 -6.855 1.657 604 1HG1 ILE 85 HG1 ILE 85 -4.303 -5.479 -0.154 605 2HG1 ILE 85 HG1 ILE 85 -5.418 -6.093 -1.330 606 1HG2 ILE 85 HG2 ILE 85 -4.782 -8.447 -0.867 607 2HG2 ILE 85 HG2 ILE 85 -4.869 -9.104 0.800 608 3HG2 ILE 85 HG2 ILE 85 -3.577 -7.972 0.371 609 1HD1 ILE 85 HD1 ILE 85 -5.945 -3.795 -0.620 610 2HD1 ILE 85 HD1 ILE 85 -6.092 -4.332 1.081 611 3HD1 ILE 85 HD1 ILE 85 -7.277 -4.878 -0.134 612 H ASP 86 HN ASP 86 -7.375 -8.394 2.846 613 HA ASP 86 HA ASP 86 -9.274 -6.157 3.535 614 1HB ASP 86 HB2 ASP 86 -10.214 -8.625 3.313 615 2HB ASP 86 HB1 ASP 86 -9.469 -8.859 4.888 616 H CYS 87 HN CYS 87 -6.482 -7.912 4.487 617 HA CYS 87 HA CYS 87 -4.926 -7.536 6.166 618 1HB CYS 87 HB2 CYS 87 -6.623 -5.057 6.721 619 2HB CYS 87 HB1 CYS 87 -5.139 -5.382 7.533 620 H SER 88 HN SER 88 -8.137 -6.735 7.457 621 HA SER 88 HA SER 88 -8.482 -8.955 9.133 622 1HB SER 88 HB2 SER 88 -6.652 -8.378 10.467 623 2HB SER 88 HB1 SER 88 -6.982 -6.641 10.247 624 HG SER 88 HG SER 88 -8.897 -8.045 11.646 625 H ARG 89 HN ARG 89 -8.743 -5.432 9.250 626 HA ARG 89 HA ARG 89 -11.629 -5.576 8.921 627 1HB ARG 89 HB2 ARG 89 -11.003 -6.051 11.505 628 2HB ARG 89 HB1 ARG 89 -10.796 -4.300 11.574 629 1HG ARG 89 HG2 ARG 89 -13.063 -3.901 10.810 630 2HG ARG 89 HG1 ARG 89 -13.329 -5.602 10.497 631 1HD ARG 89 HD2 ARG 89 -12.881 -4.301 13.219 632 2HD ARG 89 HD1 ARG 89 -14.385 -5.000 12.628 633 HE ARG 89 HE ARG 89 -11.905 -6.606 13.224 634 1HH1 ARG 89 HH2 ARG 89 -14.310 -6.359 14.966 635 2HH1 ARG 89 HH2 ARG 89 -15.198 -7.810 14.676 636 1HH2 ARG 89 HH1 ARG 89 -13.246 -8.397 11.735 637 2HH2 ARG 89 HH1 ARG 89 -14.493 -9.096 12.702 638 H VAL 90 HN VAL 90 -9.579 -4.422 7.461 639 HA VAL 90 HA VAL 90 -9.232 -1.677 8.102 640 HB VAL 90 HB VAL 90 -7.692 -2.998 6.591 641 1HG1 VAL 90 HG1 VAL 90 -8.263 -3.514 4.325 642 2HG1 VAL 90 HG1 VAL 90 -9.870 -2.735 4.514 643 3HG1 VAL 90 HG1 VAL 90 -9.527 -4.235 5.382 644 1HG2 VAL 90 HG2 VAL 90 -7.699 -0.586 6.444 645 2HG2 VAL 90 HG2 VAL 90 -9.077 -0.628 5.321 646 3HG2 VAL 90 HG2 VAL 90 -7.505 -1.291 4.798 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 -1.263 3.300 13.800 2 2H ILE 1 HT2 ILE 1 -2.651 4.249 13.585 3 3H ILE 1 HT3 ILE 1 -1.587 4.509 14.893 4 HA ILE 1 HA ILE 1 -0.316 5.887 13.684 5 HB ILE 1 HB ILE 1 -0.598 3.851 11.388 6 1HG1 ILE 1 HG1 ILE 1 1.890 4.372 13.067 7 2HG1 ILE 1 HG1 ILE 1 0.755 3.151 13.548 8 1HG2 ILE 1 HG2 ILE 1 -0.095 6.059 10.492 9 2HG2 ILE 1 HG2 ILE 1 1.296 4.969 10.331 10 3HG2 ILE 1 HG2 ILE 1 1.289 6.205 11.623 11 1HD1 ILE 1 HD1 ILE 1 2.536 2.112 12.251 12 2HD1 ILE 1 HD1 ILE 1 2.235 3.190 10.857 13 3HD1 ILE 1 HD1 ILE 1 1.000 1.993 11.362 14 H ASP 2 HN ASP 2 -0.686 7.691 12.254 15 HA ASP 2 HA ASP 2 -3.531 7.988 11.528 16 1HB ASP 2 HB2 ASP 2 -2.089 9.767 12.746 17 2HB ASP 2 HB1 ASP 2 -1.345 10.071 11.181 18 H CYS 3 HN CYS 3 -4.265 7.899 9.480 19 HA CYS 3 HA CYS 3 -2.651 6.873 7.355 20 1HB CYS 3 HB2 CYS 3 -5.152 6.663 7.470 21 2HB CYS 3 HB1 CYS 3 -5.273 8.358 7.039 22 H GLY 4 HN GLY 4 -3.101 10.104 8.438 23 1HA GLY 4 HA2 GLY 4 -2.627 11.609 6.098 24 2HA GLY 4 HA1 GLY 4 -2.168 12.123 7.723 25 H HIS 5 HN HIS 5 -0.437 9.850 8.168 26 HA HIS 5 HA HIS 5 1.957 10.844 6.711 27 1HB HIS 5 HB2 HIS 5 2.008 10.503 9.233 28 2HB HIS 5 HB1 HIS 5 1.735 8.786 8.971 29 HD1 HIS 5 HD1 HIS 5 4.246 11.344 7.869 30 HD2 HIS 5 HD2 HIS 5 4.059 7.350 8.659 31 HE1 HIS 5 HE1 HIS 5 6.556 10.477 7.641 32 H VAL 6 HN VAL 6 0.153 7.865 7.217 33 HA VAL 6 HA VAL 6 1.855 6.179 5.640 34 HB VAL 6 HB VAL 6 -1.143 5.891 5.985 35 1HG1 VAL 6 HG1 VAL 6 -0.203 4.499 4.237 36 2HG1 VAL 6 HG1 VAL 6 -0.601 3.474 5.631 37 3HG1 VAL 6 HG1 VAL 6 1.098 3.940 5.339 38 1HG2 VAL 6 HG2 VAL 6 -0.620 4.437 7.891 39 2HG2 VAL 6 HG2 VAL 6 -0.036 6.096 8.169 40 3HG2 VAL 6 HG2 VAL 6 1.125 4.821 7.700 41 H ASP 7 HN ASP 7 -0.774 8.341 4.754 42 HA ASP 7 HA ASP 7 -1.283 7.539 2.125 43 1HB ASP 7 HB2 ASP 7 -2.624 9.343 3.172 44 2HB ASP 7 HB1 ASP 7 -1.203 10.349 3.365 45 H SER 8 HN SER 8 1.259 9.545 3.385 46 HA SER 8 HA SER 8 2.408 10.166 0.777 47 1HB SER 8 HB2 SER 8 2.499 11.638 2.880 48 2HB SER 8 HB1 SER 8 3.728 10.522 3.495 49 HG SER 8 HG SER 8 3.928 12.388 1.484 50 H LEU 9 HN LEU 9 2.887 7.581 3.179 51 HA LEU 9 HA LEU 9 5.447 6.826 2.199 52 1HB LEU 9 HB2 LEU 9 3.252 5.627 3.914 53 2HB LEU 9 HB1 LEU 9 4.710 4.782 3.589 54 HG LEU 9 HG LEU 9 4.462 7.485 5.008 55 1HD1 LEU 9 HD1 LEU 9 5.422 4.798 6.007 56 2HD1 LEU 9 HD1 LEU 9 3.849 5.572 6.403 57 3HD1 LEU 9 HD1 LEU 9 5.381 6.307 6.952 58 1HD2 LEU 9 HD2 LEU 9 6.571 7.459 3.732 59 2HD2 LEU 9 HD2 LEU 9 6.969 5.869 4.461 60 3HD2 LEU 9 HD2 LEU 9 6.866 7.333 5.482 61 H VAL 10 HN VAL 10 2.121 5.699 1.524 62 HA VAL 10 HA VAL 10 3.183 3.750 -0.377 63 HB VAL 10 HB VAL 10 0.285 4.540 -0.130 64 1HG1 VAL 10 HG1 VAL 10 0.007 2.130 -0.525 65 2HG1 VAL 10 HG1 VAL 10 1.786 1.974 -0.460 66 3HG1 VAL 10 HG1 VAL 10 1.019 2.924 -1.771 67 1HG2 VAL 10 HG2 VAL 10 1.773 2.681 1.776 68 2HG2 VAL 10 HG2 VAL 10 -0.003 2.963 1.749 69 3HG2 VAL 10 HG2 VAL 10 1.094 4.265 2.248 70 H ARG 11 HN ARG 11 2.227 7.035 -0.401 71 HA ARG 11 HA ARG 11 1.135 7.528 -2.905 72 1HB ARG 11 HB2 ARG 11 2.357 9.104 -0.898 73 2HB ARG 11 HB1 ARG 11 3.263 9.479 -2.330 74 1HG ARG 11 HG2 ARG 11 1.608 11.114 -2.436 75 2HG ARG 11 HG1 ARG 11 0.910 9.887 -3.471 76 1HD ARG 11 HD2 ARG 11 -0.565 9.129 -1.542 77 2HD ARG 11 HD1 ARG 11 0.210 10.296 -0.501 78 HE ARG 11 HE ARG 11 -0.708 12.098 -2.056 79 1HH1 ARG 11 HH2 ARG 11 -1.931 10.016 -3.783 80 2HH1 ARG 11 HH2 ARG 11 -3.608 10.026 -3.353 81 1HH2 ARG 11 HH1 ARG 11 -2.736 11.725 -0.346 82 2HH2 ARG 11 HH1 ARG 11 -4.136 11.244 -1.253 83 HA PRO 12 HA PRO 12 5.582 7.637 -4.871 84 1HB PRO 12 HB2 PRO 12 7.480 6.039 -3.624 85 2HB PRO 12 HB1 PRO 12 7.304 7.768 -3.309 86 1HG PRO 12 HG2 PRO 12 6.043 5.420 -1.782 87 2HG PRO 12 HG1 PRO 12 6.970 6.765 -1.115 88 1HD PRO 12 HD2 PRO 12 4.345 6.909 -1.048 89 2HD PRO 12 HD1 PRO 12 5.175 8.359 -1.569 90 H CYS 13 HN CYS 13 4.095 4.585 -3.437 91 HA CYS 13 HA CYS 13 5.199 3.076 -5.598 92 1HB CYS 13 HB2 CYS 13 3.199 2.595 -3.403 93 2HB CYS 13 HB1 CYS 13 3.633 1.532 -4.628 94 H LEU 14 HN LEU 14 2.400 5.012 -4.997 95 HA LEU 14 HA LEU 14 0.581 3.787 -6.860 96 1HB LEU 14 HB2 LEU 14 0.815 6.675 -5.953 97 2HB LEU 14 HB1 LEU 14 -0.360 6.205 -7.152 98 HG LEU 14 HG LEU 14 -1.453 4.655 -5.588 99 1HD1 LEU 14 HD1 LEU 14 -0.782 4.748 -3.188 100 2HD1 LEU 14 HD1 LEU 14 0.589 5.785 -3.674 101 3HD1 LEU 14 HD1 LEU 14 0.520 4.086 -4.223 102 1HD2 LEU 14 HD2 LEU 14 -2.162 7.001 -5.759 103 2HD2 LEU 14 HD2 LEU 14 -0.982 7.437 -4.488 104 3HD2 LEU 14 HD2 LEU 14 -2.372 6.393 -4.088 105 H SER 15 HN SER 15 3.237 5.971 -7.338 106 HA SER 15 HA SER 15 2.663 6.971 -9.925 107 1HB SER 15 HB2 SER 15 5.106 7.223 -10.251 108 2HB SER 15 HB1 SER 15 4.741 7.639 -8.565 109 HG SER 15 HG SER 15 6.445 6.016 -8.996 110 H TYR 16 HN TYR 16 3.527 3.799 -9.008 111 HA TYR 16 HA TYR 16 4.058 3.012 -11.832 112 1HB TYR 16 HB2 TYR 16 5.579 2.279 -10.104 113 2HB TYR 16 HB1 TYR 16 4.296 1.573 -9.177 114 HD1 TYR 16 HD1 TYR 16 4.801 1.303 -12.893 115 HD2 TYR 16 HD2 TYR 16 4.897 -0.682 -9.123 116 HE1 TYR 16 HE1 TYR 16 5.037 -0.836 -14.015 117 HE2 TYR 16 HE2 TYR 16 5.150 -2.809 -10.243 118 HH TYR 16 HH TYR 16 4.352 -3.173 -13.389 119 H VAL 17 HN VAL 17 2.019 2.314 -9.146 120 HA VAL 17 HA VAL 17 0.280 0.359 -10.284 121 HB VAL 17 HB VAL 17 -0.726 2.537 -8.412 122 1HG1 VAL 17 HG1 VAL 17 -1.601 -0.314 -8.988 123 2HG1 VAL 17 HG1 VAL 17 -2.466 1.179 -9.438 124 3HG1 VAL 17 HG1 VAL 17 -2.305 0.744 -7.718 125 1HG2 VAL 17 HG2 VAL 17 1.288 1.527 -7.498 126 2HG2 VAL 17 HG2 VAL 17 0.604 -0.083 -7.841 127 3HG2 VAL 17 HG2 VAL 17 -0.143 0.967 -6.587 128 H GLN 18 HN GLN 18 0.232 3.906 -10.824 129 HA GLN 18 HA GLN 18 -2.317 4.013 -11.962 130 1HB GLN 18 HB2 GLN 18 -1.345 6.076 -12.878 131 2HB GLN 18 HB1 GLN 18 -1.239 6.003 -11.143 132 1HG GLN 18 HG2 GLN 18 1.203 5.426 -11.389 133 2HG GLN 18 HG1 GLN 18 1.084 5.530 -13.128 134 1HE2 GLN 18 HE2 GLN 18 -0.962 7.918 -12.230 135 2HE2 GLN 18 HE2 GLN 18 0.143 9.200 -12.101 136 H GLY 19 HN GLY 19 0.689 2.858 -13.183 137 1HA GLY 19 HA2 GLY 19 0.728 1.448 -15.164 138 2HA GLY 19 HA1 GLY 19 -0.579 2.347 -15.867 139 H GLY 20 HN GLY 20 2.430 3.383 -14.300 140 1HA GLY 20 HA2 GLY 20 3.489 4.406 -16.900 141 2HA GLY 20 HA1 GLY 20 3.330 5.512 -15.527 142 HA PRO 21 HA PRO 21 7.440 3.376 -15.270 143 1HB PRO 21 HB2 PRO 21 9.057 5.558 -15.260 144 2HB PRO 21 HB1 PRO 21 8.397 4.930 -16.775 145 1HG PRO 21 HG2 PRO 21 7.196 7.142 -15.003 146 2HG PRO 21 HG1 PRO 21 7.636 7.277 -16.711 147 1HD PRO 21 HD2 PRO 21 5.083 6.671 -16.009 148 2HD PRO 21 HD1 PRO 21 5.806 5.801 -17.385 149 H GLY 22 HN GLY 22 8.446 2.999 -13.223 150 1HA GLY 22 HA2 GLY 22 8.898 4.523 -11.074 151 2HA GLY 22 HA1 GLY 22 7.143 4.305 -10.967 152 HA PRO 23 HA PRO 23 6.511 3.780 -9.100 153 1HB PRO 23 HB2 PRO 23 6.961 3.160 -6.530 154 2HB PRO 23 HB1 PRO 23 5.882 2.197 -7.544 155 1HG PRO 23 HG2 PRO 23 8.798 1.642 -6.755 156 2HG PRO 23 HG1 PRO 23 7.435 0.546 -6.817 157 1HD PRO 23 HD2 PRO 23 9.224 0.724 -8.956 158 2HD PRO 23 HD1 PRO 23 7.497 0.332 -9.153 159 H SER 24 HN SER 24 9.446 3.185 -7.259 160 HA SER 24 HA SER 24 10.965 5.499 -7.892 161 1HB SER 24 HB2 SER 24 10.397 6.920 -5.846 162 2HB SER 24 HB1 SER 24 9.016 6.807 -6.946 163 HG SER 24 HG SER 24 8.123 5.287 -5.721 164 H GLY 25 HN GLY 25 12.674 5.922 -6.282 165 1HA GLY 25 HA2 GLY 25 13.588 3.385 -5.135 166 2HA GLY 25 HA1 GLY 25 14.430 4.940 -5.017 167 H GLN 26 HN GLN 26 11.381 5.661 -4.215 168 HA GLN 26 HA GLN 26 11.935 5.369 -1.269 169 1HB GLN 26 HB2 GLN 26 10.890 7.549 -2.888 170 2HB GLN 26 HB1 GLN 26 9.536 6.950 -1.968 171 1HG GLN 26 HG2 GLN 26 10.633 8.691 -0.661 172 2HG GLN 26 HG1 GLN 26 10.909 7.155 0.139 173 1HE2 GLN 26 HE2 GLN 26 12.899 6.833 -2.446 174 2HE2 GLN 26 HE2 GLN 26 14.293 7.560 -1.801 175 H CYS 27 HN CYS 27 9.800 4.302 -3.813 176 HA CYS 27 HA CYS 27 7.582 3.475 -2.300 177 1HB CYS 27 HB2 CYS 27 7.635 3.379 -4.684 178 2HB CYS 27 HB1 CYS 27 8.963 2.240 -4.685 179 H CYS 28 HN CYS 28 10.718 1.955 -2.620 180 HA CYS 28 HA CYS 28 9.819 -0.382 -1.060 181 1HB CYS 28 HB2 CYS 28 12.446 0.476 -2.298 182 2HB CYS 28 HB1 CYS 28 12.389 -0.867 -1.171 183 H ASP 29 HN ASP 29 12.373 2.064 -0.432 184 HA ASP 29 HA ASP 29 12.625 1.301 2.296 185 1HB ASP 29 HB2 ASP 29 13.891 3.221 0.609 186 2HB ASP 29 HB1 ASP 29 13.086 4.180 1.823 187 H GLY 30 HN GLY 30 10.525 3.645 0.765 188 1HA GLY 30 HA2 GLY 30 9.459 4.821 3.153 189 2HA GLY 30 HA1 GLY 30 8.685 4.845 1.575 190 H VAL 31 HN VAL 31 8.159 2.244 1.069 191 HA VAL 31 HA VAL 31 5.952 1.776 2.912 192 HB VAL 31 HB VAL 31 6.921 0.213 0.466 193 1HG1 VAL 31 HG1 VAL 31 5.299 -1.005 1.835 194 2HG1 VAL 31 HG1 VAL 31 4.580 -0.484 0.283 195 3HG1 VAL 31 HG1 VAL 31 4.186 0.392 1.795 196 1HG2 VAL 31 HG2 VAL 31 5.219 1.536 -0.712 197 2HG2 VAL 31 HG2 VAL 31 6.474 2.601 -0.027 198 3HG2 VAL 31 HG2 VAL 31 4.890 2.465 0.786 199 H LYS 32 HN LYS 32 9.045 0.118 2.275 200 HA LYS 32 HA LYS 32 8.657 -2.200 3.791 201 1HB LYS 32 HB2 LYS 32 10.661 -1.602 2.340 202 2HB LYS 32 HB1 LYS 32 11.176 -0.486 3.589 203 1HG LYS 32 HG2 LYS 32 11.255 -2.406 5.198 204 2HG LYS 32 HG1 LYS 32 10.815 -3.485 3.882 205 1HD LYS 32 HD2 LYS 32 12.824 -2.732 2.613 206 2HD LYS 32 HD1 LYS 32 13.246 -1.640 3.926 207 1HE LYS 32 HE2 LYS 32 13.334 -3.685 5.471 208 2HE LYS 32 HE1 LYS 32 13.155 -4.692 4.042 209 1HZ LYS 32 HZ1 LYS 32 15.332 -4.489 3.675 210 2HZ LYS 32 HZ2 LYS 32 15.475 -3.528 5.058 211 3HZ LYS 32 HZ3 LYS 32 15.186 -2.806 3.555 212 H ASN 33 HN ASN 33 9.656 1.056 4.708 213 HA ASN 33 HA ASN 33 10.038 0.594 7.503 214 1HB ASN 33 HB2 ASN 33 9.482 3.005 5.748 215 2HB ASN 33 HB1 ASN 33 9.067 3.211 7.427 216 1HD2 ASN 33 HD2 ASN 33 11.668 3.135 5.204 217 2HD2 ASN 33 HD2 ASN 33 12.918 3.326 6.344 218 H LEU 34 HN LEU 34 7.252 1.923 5.858 219 HA LEU 34 HA LEU 34 5.400 2.091 7.924 220 1HB LEU 34 HB2 LEU 34 4.899 2.867 5.631 221 2HB LEU 34 HB1 LEU 34 5.025 1.245 5.015 222 HG LEU 34 HG LEU 34 2.988 0.636 6.462 223 1HD1 LEU 34 HD1 LEU 34 2.848 3.657 6.656 224 2HD1 LEU 34 HD1 LEU 34 3.145 2.510 8.004 225 3HD1 LEU 34 HD1 LEU 34 1.584 2.492 7.150 226 1HD2 LEU 34 HD2 LEU 34 1.410 1.564 4.854 227 2HD2 LEU 34 HD2 LEU 34 2.884 0.937 4.068 228 3HD2 LEU 34 HD2 LEU 34 2.679 2.699 4.294 229 H HIS 35 HN HIS 35 5.821 -0.621 5.779 230 HA HIS 35 HA HIS 35 4.020 -2.441 6.916 231 1HB HIS 35 HB2 HIS 35 5.395 -2.664 4.800 232 2HB HIS 35 HB1 HIS 35 6.772 -3.122 5.772 233 HD1 HIS 35 HD1 HIS 35 6.606 -5.458 4.569 234 HD2 HIS 35 HD2 HIS 35 3.373 -4.649 6.919 235 HE1 HIS 35 HE1 HIS 35 5.401 -7.591 4.842 236 H ASN 36 HN ASN 36 7.491 -2.212 7.621 237 HA ASN 36 HA ASN 36 7.592 -4.055 9.761 238 1HB ASN 36 HB2 ASN 36 9.577 -2.667 8.516 239 2HB ASN 36 HB1 ASN 36 9.291 -1.536 9.810 240 1HD2 ASN 36 HD2 ASN 36 9.830 -2.159 12.005 241 2HD2 ASN 36 HD2 ASN 36 10.728 -3.566 12.323 242 H GLN 37 HN GLN 37 6.639 -0.705 9.713 243 HA GLN 37 HA GLN 37 6.591 -0.350 12.572 244 1HB GLN 37 HB2 GLN 37 6.780 1.390 10.641 245 2HB GLN 37 HB1 GLN 37 5.055 1.173 10.440 246 1HG GLN 37 HG2 GLN 37 4.704 1.907 12.793 247 2HG GLN 37 HG1 GLN 37 6.444 2.134 12.948 248 1HE2 GLN 37 HE2 GLN 37 3.767 3.943 12.477 249 2HE2 GLN 37 HE2 GLN 37 4.446 5.169 11.499 250 H ALA 38 HN ALA 38 4.369 -1.706 10.293 251 HA ALA 38 HA ALA 38 2.039 -1.415 12.071 252 1HB ALA 38 HB1 ALA 38 0.921 -2.695 10.306 253 2HB ALA 38 HB2 ALA 38 2.520 -3.196 9.653 254 3HB ALA 38 HB3 ALA 38 2.000 -1.478 9.601 255 H ARG 39 HN ARG 39 3.179 -2.158 13.891 256 HA ARG 39 HA ARG 39 3.585 -5.098 14.170 257 1HB ARG 39 HB2 ARG 39 5.233 -3.372 15.130 258 2HB ARG 39 HB1 ARG 39 3.991 -2.926 16.276 259 1HG ARG 39 HG2 ARG 39 3.894 -5.617 16.709 260 2HG ARG 39 HG1 ARG 39 5.536 -5.527 16.134 261 1HD ARG 39 HD2 ARG 39 4.416 -3.867 18.433 262 2HD ARG 39 HD1 ARG 39 5.316 -5.359 18.639 263 HE ARG 39 HE ARG 39 7.244 -4.145 17.439 264 1HH1 ARG 39 HH1 ARG 39 6.656 -3.307 20.243 265 2HH1 ARG 39 HH1 ARG 39 6.747 -1.592 20.192 266 1HH2 ARG 39 HH2 ARG 39 6.472 -1.705 16.624 267 2HH2 ARG 39 HH2 ARG 39 6.593 -0.594 17.932 268 H SER 40 HN SER 40 1.386 -2.509 15.040 269 HA SER 40 HA SER 40 -0.072 -4.412 16.843 270 1HB SER 40 HB2 SER 40 -0.875 -1.506 16.531 271 2HB SER 40 HB1 SER 40 -1.038 -2.565 17.932 272 HG SER 40 HG SER 40 1.003 -1.055 17.118 273 H GLN 41 HN GLN 41 -2.221 -4.890 16.530 274 HA GLN 41 HA GLN 41 -3.116 -5.219 13.882 275 1HB GLN 41 HB2 GLN 41 -4.128 -6.299 16.063 276 2HB GLN 41 HB1 GLN 41 -5.056 -4.812 16.219 277 1HG GLN 41 HG2 GLN 41 -5.770 -5.238 13.730 278 2HG GLN 41 HG1 GLN 41 -5.097 -6.838 13.944 279 1HE2 GLN 41 HE2 GLN 41 -7.835 -4.978 14.325 280 2HE2 GLN 41 HE2 GLN 41 -8.709 -6.030 15.344 281 H SER 42 HN SER 42 -3.590 -2.503 16.018 282 HA SER 42 HA SER 42 -5.472 -1.139 14.293 283 1HB SER 42 HB2 SER 42 -5.243 -0.804 16.815 284 2HB SER 42 HB1 SER 42 -3.714 0.035 16.517 285 HG SER 42 HG SER 42 -5.596 1.012 14.888 286 H ASP 43 HN ASP 43 -1.920 -1.197 14.457 287 HA ASP 43 HA ASP 43 -1.563 1.169 12.925 288 1HB ASP 43 HB2 ASP 43 0.101 -1.161 13.988 289 2HB ASP 43 HB1 ASP 43 0.851 0.072 13.102 290 H ARG 44 HN ARG 44 -1.963 -2.156 12.251 291 HA ARG 44 HA ARG 44 -1.152 -2.050 9.431 292 1HB ARG 44 HB2 ARG 44 -2.413 -4.110 11.219 293 2HB ARG 44 HB1 ARG 44 -2.997 -4.118 9.600 294 1HG ARG 44 HG2 ARG 44 -1.515 -5.650 9.270 295 2HG ARG 44 HG1 ARG 44 -0.445 -4.297 8.932 296 1HD ARG 44 HD2 ARG 44 0.638 -4.531 11.102 297 2HD ARG 44 HD1 ARG 44 -0.657 -5.534 11.723 298 HE ARG 44 HE ARG 44 0.600 -6.616 9.324 299 1HH1 ARG 44 HH2 ARG 44 2.684 -6.187 11.388 300 2HH1 ARG 44 HH2 ARG 44 2.901 -7.758 12.083 301 1HH2 ARG 44 HH1 ARG 44 -0.386 -8.634 10.903 302 2HH2 ARG 44 HH1 ARG 44 0.932 -9.235 11.836 303 H GLN 45 HN GLN 45 -4.326 -2.315 11.159 304 HA GLN 45 HA GLN 45 -6.034 -2.117 9.037 305 1HB GLN 45 HB2 GLN 45 -6.032 -1.201 11.926 306 2HB GLN 45 HB1 GLN 45 -7.432 -1.050 10.924 307 1HG GLN 45 HG2 GLN 45 -7.358 -3.528 10.476 308 2HG GLN 45 HG1 GLN 45 -5.957 -3.651 11.523 309 1HE2 GLN 45 HE2 GLN 45 -9.128 -4.430 11.670 310 2HE2 GLN 45 HE2 GLN 45 -9.419 -4.009 13.278 311 H SER 46 HN SER 46 -4.413 0.490 10.817 312 HA SER 46 HA SER 46 -5.703 2.667 9.505 313 1HB SER 46 HB2 SER 46 -2.932 2.327 10.766 314 2HB SER 46 HB1 SER 46 -3.358 3.863 10.024 315 HG SER 46 HG SER 46 -4.172 4.302 11.841 316 H ALA 47 HN ALA 47 -2.456 1.410 8.737 317 HA ALA 47 HA ALA 47 -2.266 2.927 6.351 318 1HB ALA 47 HB1 ALA 47 -1.049 0.240 7.109 319 2HB ALA 47 HB2 ALA 47 -0.325 1.829 7.448 320 3HB ALA 47 HB3 ALA 47 -0.476 1.241 5.748 321 H CYS 48 HN CYS 48 -3.544 -0.349 6.825 322 HA CYS 48 HA CYS 48 -3.922 -0.979 4.098 323 1HB CYS 48 HB2 CYS 48 -4.357 -2.377 6.259 324 2HB CYS 48 HB1 CYS 48 -5.920 -1.616 6.252 325 H ASN 49 HN ASN 49 -5.941 0.914 6.307 326 HA ASN 49 HA ASN 49 -8.103 1.362 4.509 327 1HB ASN 49 HB2 ASN 49 -7.044 2.728 6.989 328 2HB ASN 49 HB1 ASN 49 -8.288 3.556 6.086 329 1HD2 ASN 49 HD2 ASN 49 -7.784 0.880 8.118 330 2HD2 ASN 49 HD2 ASN 49 -9.438 0.490 8.081 331 H CYS 50 HN CYS 50 -5.116 3.122 4.892 332 HA CYS 50 HA CYS 50 -5.623 5.360 3.265 333 1HB CYS 50 HB2 CYS 50 -3.033 3.780 3.535 334 2HB CYS 50 HB1 CYS 50 -3.145 5.390 2.898 335 H LEU 51 HN LEU 51 -4.181 2.321 2.265 336 HA LEU 51 HA LEU 51 -4.132 2.897 -0.538 337 1HB LEU 51 HB2 LEU 51 -4.347 0.185 0.829 338 2HB LEU 51 HB1 LEU 51 -3.953 0.441 -0.847 339 HG LEU 51 HG LEU 51 -2.033 2.019 0.157 340 1HD1 LEU 51 HD1 LEU 51 -2.566 0.122 2.428 341 2HD1 LEU 51 HD1 LEU 51 -2.547 1.915 2.437 342 3HD1 LEU 51 HD1 LEU 51 -1.033 1.044 2.194 343 1HD2 LEU 51 HD2 LEU 51 -1.573 0.174 -1.257 344 2HD2 LEU 51 HD2 LEU 51 -1.943 -0.965 0.067 345 3HD2 LEU 51 HD2 LEU 51 -0.477 0.068 0.150 346 H LYS 52 HN LYS 52 -6.532 1.227 1.409 347 HA LYS 52 HA LYS 52 -8.346 0.526 -0.645 348 1HB LYS 52 HB2 LYS 52 -8.039 0.197 2.127 349 2HB LYS 52 HB1 LYS 52 -9.374 1.307 2.092 350 1HG LYS 52 HG2 LYS 52 -9.497 -1.111 0.301 351 2HG LYS 52 HG1 LYS 52 -9.634 -1.355 2.027 352 1HD LYS 52 HD2 LYS 52 -11.518 0.006 2.249 353 2HD LYS 52 HD1 LYS 52 -11.326 0.740 0.649 354 1HE LYS 52 HE2 LYS 52 -11.798 -1.425 -0.432 355 2HE LYS 52 HE1 LYS 52 -11.859 -2.235 1.133 356 1HZ LYS 52 HZ1 LYS 52 -13.963 -1.723 1.244 357 2HZ LYS 52 HZ2 LYS 52 -13.902 -0.799 -0.202 358 3HZ LYS 52 HZ3 LYS 52 -13.601 -0.067 1.293 359 H GLY 53 HN GLY 53 -8.515 3.352 1.510 360 1HA GLY 53 HA2 GLY 53 -10.660 4.711 0.304 361 2HA GLY 53 HA1 GLY 53 -9.332 5.515 1.158 362 H ILE 54 HN ILE 54 -7.162 4.961 -0.382 363 HA ILE 54 HA ILE 54 -7.255 6.838 -2.450 364 HB ILE 54 HB ILE 54 -5.433 4.511 -1.730 365 1HG1 ILE 54 HG1 ILE 54 -4.907 7.508 -1.610 366 2HG1 ILE 54 HG1 ILE 54 -5.475 6.564 -0.260 367 1HG2 ILE 54 HG2 ILE 54 -5.209 4.693 -4.133 368 2HG2 ILE 54 HG2 ILE 54 -3.747 5.223 -3.279 369 3HG2 ILE 54 HG2 ILE 54 -4.878 6.444 -3.962 370 1HD1 ILE 54 HD1 ILE 54 -3.037 6.874 -0.115 371 2HD1 ILE 54 HD1 ILE 54 -2.816 6.121 -1.714 372 3HD1 ILE 54 HD1 ILE 54 -3.418 5.143 -0.343 373 H ALA 55 HN ALA 55 -6.920 3.353 -2.932 374 HA ALA 55 HA ALA 55 -7.288 3.278 -5.675 375 1HB ALA 55 HB1 ALA 55 -8.196 1.311 -3.543 376 2HB ALA 55 HB2 ALA 55 -6.583 1.376 -4.318 377 3HB ALA 55 HB3 ALA 55 -8.013 0.914 -5.280 378 H ARG 56 HN ARG 56 -9.758 3.491 -3.180 379 HA ARG 56 HA ARG 56 -12.009 2.981 -4.867 380 1HB ARG 56 HB2 ARG 56 -11.979 3.121 -2.251 381 2HB ARG 56 HB1 ARG 56 -12.022 4.860 -2.460 382 1HG ARG 56 HG2 ARG 56 -14.129 4.491 -3.961 383 2HG ARG 56 HG1 ARG 56 -14.123 2.842 -3.393 384 1HD ARG 56 HD2 ARG 56 -15.651 3.913 -1.957 385 2HD ARG 56 HD1 ARG 56 -14.197 3.852 -0.981 386 HE ARG 56 HE ARG 56 -13.756 6.236 -1.716 387 1HH1 ARG 56 HH2 ARG 56 -16.209 5.931 -3.571 388 2HH1 ARG 56 HH2 ARG 56 -17.377 6.952 -2.825 389 1HH2 ARG 56 HH1 ARG 56 -15.452 7.017 0.165 390 2HH2 ARG 56 HH1 ARG 56 -16.894 7.627 -0.549 391 H GLY 57 HN GLY 57 -10.151 5.874 -4.285 392 1HA GLY 57 HA2 GLY 57 -12.111 7.570 -5.717 393 2HA GLY 57 HA1 GLY 57 -10.569 8.112 -5.038 394 H ILE 58 HN ILE 58 -9.148 5.895 -6.356 395 HA ILE 58 HA ILE 58 -8.611 7.266 -8.884 396 HB ILE 58 HB ILE 58 -7.646 4.478 -8.058 397 1HG1 ILE 58 HG1 ILE 58 -6.313 7.191 -7.512 398 2HG1 ILE 58 HG1 ILE 58 -7.073 6.198 -6.304 399 1HG2 ILE 58 HG2 ILE 58 -6.435 6.532 -9.940 400 2HG2 ILE 58 HG2 ILE 58 -7.283 5.027 -10.426 401 3HG2 ILE 58 HG2 ILE 58 -5.748 4.923 -9.544 402 1HD1 ILE 58 HD1 ILE 58 -4.606 5.404 -7.935 403 2HD1 ILE 58 HD1 ILE 58 -5.455 4.336 -6.777 404 3HD1 ILE 58 HD1 ILE 58 -4.668 5.834 -6.206 405 H HIS 59 HN HIS 59 -9.157 6.631 -10.963 406 HA HIS 59 HA HIS 59 -11.299 4.548 -11.123 407 1HB HIS 59 HB2 HIS 59 -11.713 7.020 -11.892 408 2HB HIS 59 HB1 HIS 59 -10.696 6.632 -13.274 409 HD1 HIS 59 HD1 HIS 59 -13.445 4.665 -11.614 410 HD2 HIS 59 HD2 HIS 59 -12.391 5.975 -15.340 411 HE1 HIS 59 HE1 HIS 59 -15.160 3.796 -13.183 412 H ASN 60 HN ASN 60 -8.347 5.658 -12.799 413 HA ASN 60 HA ASN 60 -8.342 3.110 -14.348 414 1HB ASN 60 HB2 ASN 60 -7.595 5.679 -15.123 415 2HB ASN 60 HB1 ASN 60 -6.038 5.015 -14.674 416 1HD2 ASN 60 HD2 ASN 60 -5.102 3.414 -16.128 417 2HD2 ASN 60 HD2 ASN 60 -5.923 2.949 -17.547 418 H LEU 61 HN LEU 61 -8.123 2.129 -12.106 419 HA LEU 61 HA LEU 61 -5.373 2.263 -11.006 420 1HB LEU 61 HB2 LEU 61 -7.375 2.252 -9.523 421 2HB LEU 61 HB1 LEU 61 -7.836 0.684 -10.142 422 HG LEU 61 HG LEU 61 -5.097 0.987 -8.809 423 1HD1 LEU 61 HD1 LEU 61 -7.808 0.559 -7.514 424 2HD1 LEU 61 HD1 LEU 61 -6.762 2.006 -7.346 425 3HD1 LEU 61 HD1 LEU 61 -6.234 0.446 -6.670 426 1HD2 LEU 61 HD2 LEU 61 -5.689 -1.145 -9.965 427 2HD2 LEU 61 HD2 LEU 61 -7.144 -1.255 -8.934 428 3HD2 LEU 61 HD2 LEU 61 -5.513 -1.340 -8.201 429 H ASN 62 HN ASN 62 -3.822 0.663 -11.309 430 HA ASN 62 HA ASN 62 -4.641 -1.635 -13.034 431 1HB ASN 62 HB2 ASN 62 -3.084 0.069 -14.060 432 2HB ASN 62 HB1 ASN 62 -1.927 -0.328 -12.792 433 1HD2 ASN 62 HD2 ASN 62 -0.456 -1.130 -14.497 434 2HD2 ASN 62 HD2 ASN 62 -0.735 -2.652 -15.165 435 H GLU 63 HN GLU 63 -5.019 -3.200 -11.550 436 HA GLU 63 HA GLU 63 -3.605 -3.624 -9.121 437 1HB GLU 63 HB2 GLU 63 -4.849 -5.589 -8.892 438 2HB GLU 63 HB1 GLU 63 -5.876 -4.696 -9.964 439 1HG GLU 63 HG2 GLU 63 -5.924 -6.646 -11.206 440 2HG GLU 63 HG1 GLU 63 -4.325 -6.205 -11.771 441 H ASP 64 HN ASP 64 -2.918 -4.673 -12.372 442 HA ASP 64 HA ASP 64 -0.968 -6.628 -11.962 443 1HB ASP 64 HB2 ASP 64 -1.772 -6.164 -14.168 444 2HB ASP 64 HB1 ASP 64 -1.360 -4.472 -14.070 445 H ASN 65 HN ASN 65 -0.419 -3.105 -12.127 446 HA ASN 65 HA ASN 65 2.385 -3.440 -11.445 447 1HB ASN 65 HB2 ASN 65 0.589 -1.030 -11.628 448 2HB ASN 65 HB1 ASN 65 2.272 -0.876 -11.118 449 1HD2 ASN 65 HD2 ASN 65 1.163 0.240 -13.536 450 2HD2 ASN 65 HD2 ASN 65 1.862 -0.551 -14.883 451 H ALA 66 HN ALA 66 -0.512 -2.463 -9.627 452 HA ALA 66 HA ALA 66 0.599 -1.834 -7.118 453 1HB ALA 66 HB1 ALA 66 -1.484 -2.622 -6.130 454 2HB ALA 66 HB2 ALA 66 -1.866 -3.531 -7.624 455 3HB ALA 66 HB3 ALA 66 -1.846 -1.735 -7.626 456 H ARG 67 HN ARG 67 -0.072 -4.958 -8.439 457 HA ARG 67 HA ARG 67 0.836 -6.494 -6.141 458 1HB ARG 67 HB2 ARG 67 -0.837 -7.443 -7.470 459 2HB ARG 67 HB1 ARG 67 -0.087 -6.960 -8.960 460 1HG ARG 67 HG2 ARG 67 1.662 -8.678 -8.738 461 2HG ARG 67 HG1 ARG 67 0.981 -9.198 -7.211 462 1HD ARG 67 HD2 ARG 67 -0.932 -8.984 -9.540 463 2HD ARG 67 HD1 ARG 67 0.264 -10.260 -9.644 464 HE ARG 67 HE ARG 67 -0.628 -11.265 -7.652 465 1HH1 ARG 67 HH1 ARG 67 -2.837 -9.506 -9.411 466 2HH1 ARG 67 HH1 ARG 67 -3.997 -9.300 -8.231 467 1HH2 ARG 67 HH2 ARG 67 -1.788 -10.524 -5.671 468 2HH2 ARG 67 HH2 ARG 67 -3.374 -9.922 -5.931 469 H SER 68 HN SER 68 2.213 -5.254 -8.996 470 HA SER 68 HA SER 68 4.635 -6.854 -9.055 471 1HB SER 68 HB2 SER 68 3.657 -5.875 -11.098 472 2HB SER 68 HB1 SER 68 3.804 -4.272 -10.421 473 HG SER 68 HG SER 68 5.530 -4.457 -11.694 474 H ILE 69 HN ILE 69 3.749 -4.121 -7.231 475 HA ILE 69 HA ILE 69 6.308 -2.901 -6.799 476 HB ILE 69 HB ILE 69 3.715 -2.930 -5.161 477 1HG1 ILE 69 HG1 ILE 69 4.776 -0.651 -6.784 478 2HG1 ILE 69 HG1 ILE 69 3.733 -1.882 -7.469 479 1HG2 ILE 69 HG2 ILE 69 4.598 -0.983 -3.945 480 2HG2 ILE 69 HG2 ILE 69 6.157 -1.216 -4.788 481 3HG2 ILE 69 HG2 ILE 69 5.576 -2.446 -3.629 482 1HD1 ILE 69 HD1 ILE 69 3.053 -0.219 -4.989 483 2HD1 ILE 69 HD1 ILE 69 2.009 -1.448 -5.735 484 3HD1 ILE 69 HD1 ILE 69 2.448 0.047 -6.641 485 HA PRO 70 HA PRO 70 6.678 -5.299 -2.692 486 1HB PRO 70 HB2 PRO 70 5.092 -7.577 -2.352 487 2HB PRO 70 HB1 PRO 70 4.695 -5.963 -1.736 488 1HG PRO 70 HG2 PRO 70 3.699 -7.325 -4.294 489 2HG PRO 70 HG1 PRO 70 2.807 -6.395 -3.120 490 1HD PRO 70 HD2 PRO 70 3.613 -5.183 -5.370 491 2HD PRO 70 HD1 PRO 70 3.632 -4.346 -3.801 492 HA PRO 71 HA PRO 71 8.025 -9.480 -4.639 493 1HB PRO 71 HB2 PRO 71 7.880 -9.691 -7.395 494 2HB PRO 71 HB1 PRO 71 6.605 -10.281 -6.326 495 1HG PRO 71 HG2 PRO 71 6.771 -7.564 -7.752 496 2HG PRO 71 HG1 PRO 71 5.416 -8.688 -7.708 497 1HD PRO 71 HD2 PRO 71 5.411 -6.655 -5.997 498 2HD PRO 71 HD1 PRO 71 4.941 -8.273 -5.433 499 H LYS 72 HN LYS 72 8.415 -6.893 -7.061 500 HA LYS 72 HA LYS 72 11.190 -7.389 -7.480 501 1HB LYS 72 HB2 LYS 72 11.307 -5.118 -8.338 502 2HB LYS 72 HB1 LYS 72 9.925 -5.977 -9.013 503 1HG LYS 72 HG2 LYS 72 8.455 -4.791 -7.425 504 2HG LYS 72 HG1 LYS 72 9.820 -3.996 -6.708 505 1HD LYS 72 HD2 LYS 72 10.330 -3.215 -9.234 506 2HD LYS 72 HD1 LYS 72 8.694 -3.759 -9.525 507 1HE LYS 72 HE2 LYS 72 8.860 -1.352 -9.076 508 2HE LYS 72 HE1 LYS 72 7.765 -2.163 -7.969 509 1HZ LYS 72 HZ1 LYS 72 10.376 -2.300 -6.942 510 2HZ LYS 72 HZ2 LYS 72 9.091 -1.542 -6.222 511 3HZ LYS 72 HZ3 LYS 72 10.099 -0.690 -7.278 512 H CYS 73 HN CYS 73 9.554 -5.439 -5.113 513 HA CYS 73 HA CYS 73 11.903 -4.118 -4.108 514 1HB CYS 73 HB2 CYS 73 9.438 -3.550 -3.961 515 2HB CYS 73 HB1 CYS 73 9.309 -4.771 -2.781 516 H GLY 74 HN GLY 74 10.039 -6.850 -2.717 517 1HA GLY 74 HA2 GLY 74 11.235 -8.825 -1.870 518 2HA GLY 74 HA1 GLY 74 12.590 -7.795 -1.454 519 H VAL 75 HN VAL 75 9.458 -6.562 -0.692 520 HA VAL 75 HA VAL 75 9.913 -7.282 2.156 521 HB VAL 75 HB VAL 75 8.918 -5.145 2.670 522 1HG1 VAL 75 HG1 VAL 75 11.254 -5.038 2.014 523 2HG1 VAL 75 HG1 VAL 75 10.405 -3.533 1.530 524 3HG1 VAL 75 HG1 VAL 75 10.784 -4.776 0.311 525 1HG2 VAL 75 HG2 VAL 75 7.127 -5.085 1.055 526 2HG2 VAL 75 HG2 VAL 75 8.309 -4.813 -0.262 527 3HG2 VAL 75 HG2 VAL 75 8.067 -3.567 0.994 528 H ASN 76 HN ASN 76 7.665 -7.405 -0.416 529 HA ASN 76 HA ASN 76 5.551 -8.404 -0.570 530 1HB ASN 76 HB2 ASN 76 7.064 -10.238 0.404 531 2HB ASN 76 HB1 ASN 76 6.276 -9.904 1.935 532 1HD2 ASN 76 HD2 ASN 76 4.093 -10.429 2.218 533 2HD2 ASN 76 HD2 ASN 76 3.189 -11.307 1.071 534 H LEU 77 HN LEU 77 4.154 -6.637 -0.098 535 HA LEU 77 HA LEU 77 3.520 -6.065 2.725 536 1HB LEU 77 HB2 LEU 77 2.999 -4.653 0.140 537 2HB LEU 77 HB1 LEU 77 1.589 -4.724 1.106 538 HG LEU 77 HG LEU 77 2.751 -3.785 3.041 539 1HD1 LEU 77 HD1 LEU 77 5.058 -3.366 1.162 540 2HD1 LEU 77 HD1 LEU 77 5.020 -4.484 2.563 541 3HD1 LEU 77 HD1 LEU 77 4.908 -2.720 2.818 542 1HD2 LEU 77 HD2 LEU 77 1.506 -2.318 1.583 543 2HD2 LEU 77 HD2 LEU 77 2.970 -2.044 0.577 544 3HD2 LEU 77 HD2 LEU 77 2.923 -1.500 2.280 545 HA PRO 78 HA PRO 78 -0.038 -8.650 2.797 546 1HB PRO 78 HB2 PRO 78 -1.507 -7.620 4.822 547 2HB PRO 78 HB1 PRO 78 0.073 -8.341 5.147 548 1HG PRO 78 HG2 PRO 78 -0.602 -5.387 4.723 549 2HG PRO 78 HG1 PRO 78 0.344 -6.094 6.033 550 1HD PRO 78 HD2 PRO 78 1.502 -5.007 3.817 551 2HD PRO 78 HD1 PRO 78 2.262 -6.394 4.629 552 H TYR 79 HN TYR 79 -0.147 -5.393 1.834 553 HA TYR 79 HA TYR 79 -2.538 -5.900 0.236 554 1HB TYR 79 HB2 TYR 79 -3.783 -3.833 1.219 555 2HB TYR 79 HB1 TYR 79 -3.684 -5.211 2.305 556 HD1 TYR 79 HD1 TYR 79 -1.459 -2.273 1.421 557 HD2 TYR 79 HD2 TYR 79 -3.153 -4.700 4.497 558 HE1 TYR 79 HE1 TYR 79 -0.305 -0.970 3.059 559 HE2 TYR 79 HE2 TYR 79 -1.960 -3.353 6.154 560 HH TYR 79 HH TYR 79 -0.528 -1.606 6.451 561 H THR 80 HN THR 80 -3.004 -4.028 -1.240 562 HA THR 80 HA THR 80 -0.762 -2.105 -1.527 563 HB THR 80 HB THR 80 -0.148 -4.105 -2.972 564 HG1 THR 80 HG1 THR 80 0.374 -2.872 -4.567 565 1HG2 THR 80 HG2 THR 80 -2.470 -4.910 -3.469 566 2HG2 THR 80 HG2 THR 80 -1.462 -4.675 -4.922 567 3HG2 THR 80 HG2 THR 80 -2.706 -3.459 -4.489 568 H ILE 81 HN ILE 81 -1.637 -1.116 -3.943 569 HA ILE 81 HA ILE 81 -4.065 0.380 -3.090 570 HB ILE 81 HB ILE 81 -2.403 0.650 -5.650 571 1HG1 ILE 81 HG1 ILE 81 -0.943 1.003 -3.651 572 2HG1 ILE 81 HG1 ILE 81 -1.103 2.449 -4.612 573 1HG2 ILE 81 HG2 ILE 81 -4.304 2.579 -4.314 574 2HG2 ILE 81 HG2 ILE 81 -4.578 1.673 -5.831 575 3HG2 ILE 81 HG2 ILE 81 -3.308 2.926 -5.760 576 1HD1 ILE 81 HD1 ILE 81 -2.806 3.344 -3.018 577 2HD1 ILE 81 HD1 ILE 81 -1.278 2.952 -2.182 578 3HD1 ILE 81 HD1 ILE 81 -2.677 1.843 -2.058 579 H SER 82 HN SER 82 -5.304 -1.662 -3.172 580 HA SER 82 HA SER 82 -6.595 -1.941 -5.834 581 1HB SER 82 HB2 SER 82 -4.774 -3.937 -5.459 582 2HB SER 82 HB1 SER 82 -6.019 -4.553 -4.385 583 HG SER 82 HG SER 82 -6.973 -5.132 -6.204 584 H LEU 83 HN LEU 83 -8.442 -3.604 -5.523 585 HA LEU 83 HA LEU 83 -9.859 -2.942 -2.927 586 1HB LEU 83 HB2 LEU 83 -10.778 -2.983 -5.808 587 2HB LEU 83 HB1 LEU 83 -11.941 -3.418 -4.578 588 HG LEU 83 HG LEU 83 -11.541 -1.312 -3.397 589 1HD1 LEU 83 HD1 LEU 83 -10.335 0.549 -4.491 590 2HD1 LEU 83 HD1 LEU 83 -9.726 -0.622 -5.704 591 3HD1 LEU 83 HD1 LEU 83 -9.293 -0.791 -3.969 592 1HD2 LEU 83 HD2 LEU 83 -12.143 -0.951 -6.355 593 2HD2 LEU 83 HD2 LEU 83 -12.590 0.220 -5.081 594 3HD2 LEU 83 HD2 LEU 83 -13.314 -1.415 -5.085 595 H ASN 84 HN ASN 84 -8.213 -5.080 -3.064 596 HA ASN 84 HA ASN 84 -10.018 -7.451 -3.220 597 1HB ASN 84 HB2 ASN 84 -6.999 -7.205 -3.327 598 2HB ASN 84 HB1 ASN 84 -7.830 -8.713 -3.327 599 1HD2 ASN 84 HD2 ASN 84 -8.633 -9.467 -5.376 600 2HD2 ASN 84 HD2 ASN 84 -8.494 -8.511 -6.785 601 H ILE 85 HN ILE 85 -7.900 -5.621 -1.097 602 HA ILE 85 HA ILE 85 -8.136 -7.700 0.980 603 HB ILE 85 HB ILE 85 -6.794 -4.941 1.320 604 1HG1 ILE 85 HG1 ILE 85 -4.626 -6.504 0.879 605 2HG1 ILE 85 HG1 ILE 85 -5.736 -7.475 -0.028 606 1HG2 ILE 85 HG2 ILE 85 -7.176 -6.242 3.347 607 2HG2 ILE 85 HG2 ILE 85 -5.445 -6.172 2.968 608 3HG2 ILE 85 HG2 ILE 85 -6.372 -7.660 2.592 609 1HD1 ILE 85 HD1 ILE 85 -5.159 -4.515 -0.572 610 2HD1 ILE 85 HD1 ILE 85 -6.218 -5.554 -1.569 611 3HD1 ILE 85 HD1 ILE 85 -4.480 -5.900 -1.488 612 H ASP 86 HN ASP 86 -8.887 -7.074 3.161 613 HA ASP 86 HA ASP 86 -11.312 -5.400 2.938 614 1HB ASP 86 HB2 ASP 86 -10.639 -7.454 5.061 615 2HB ASP 86 HB1 ASP 86 -12.188 -6.731 4.676 616 H CYS 87 HN CYS 87 -8.294 -5.583 4.656 617 HA CYS 87 HA CYS 87 -7.369 -4.211 6.307 618 1HB CYS 87 HB2 CYS 87 -9.417 -2.261 5.221 619 2HB CYS 87 HB1 CYS 87 -8.010 -1.839 6.144 620 H SER 88 HN SER 88 -10.059 -5.692 6.855 621 HA SER 88 HA SER 88 -10.967 -4.090 9.185 622 1HB SER 88 HB2 SER 88 -12.840 -5.922 9.115 623 2HB SER 88 HB1 SER 88 -12.771 -4.795 7.754 624 HG SER 88 HG SER 88 -12.319 -6.424 6.526 625 H ARG 89 HN ARG 89 -9.474 -7.063 8.352 626 HA ARG 89 HA ARG 89 -9.262 -7.880 11.218 627 1HB ARG 89 HB2 ARG 89 -10.334 -9.408 9.621 628 2HB ARG 89 HB1 ARG 89 -8.894 -9.433 8.623 629 1HG ARG 89 HG2 ARG 89 -7.645 -10.429 10.625 630 2HG ARG 89 HG1 ARG 89 -9.184 -10.554 11.444 631 1HD ARG 89 HD2 ARG 89 -8.372 -11.912 8.816 632 2HD ARG 89 HD1 ARG 89 -8.739 -12.707 10.335 633 HE ARG 89 HE ARG 89 -10.801 -11.227 8.706 634 1HH1 ARG 89 HH1 ARG 89 -10.789 -14.064 8.231 635 2HH1 ARG 89 HH1 ARG 89 -11.878 -14.730 9.383 636 1HH2 ARG 89 HH2 ARG 89 -11.681 -11.761 11.330 637 2HH2 ARG 89 HH2 ARG 89 -12.418 -13.320 11.319 638 H VAL 90 HN VAL 90 -7.256 -7.523 8.289 639 HA VAL 90 HA VAL 90 -4.818 -8.185 9.609 640 HB VAL 90 HB VAL 90 -3.717 -7.033 7.651 641 1HG1 VAL 90 HG1 VAL 90 -6.040 -8.829 6.879 642 2HG1 VAL 90 HG1 VAL 90 -4.430 -9.361 7.453 643 3HG1 VAL 90 HG1 VAL 90 -4.585 -8.490 5.897 644 1HG2 VAL 90 HG2 VAL 90 -5.310 -5.224 7.342 645 2HG2 VAL 90 HG2 VAL 90 -6.553 -6.394 6.815 646 3HG2 VAL 90 HG2 VAL 90 -5.091 -6.140 5.819 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 -2.665 5.019 14.336 2 2H ILE 1 HT2 ILE 1 -1.391 5.050 15.469 3 3H ILE 1 HT3 ILE 1 -1.470 3.807 14.289 4 HA ILE 1 HA ILE 1 -0.261 6.341 14.087 5 HB ILE 1 HB ILE 1 0.544 4.032 13.159 6 1HG1 ILE 1 HG1 ILE 1 0.393 6.159 10.972 7 2HG1 ILE 1 HG1 ILE 1 1.537 6.201 12.297 8 1HG2 ILE 1 HG2 ILE 1 -1.671 3.335 12.266 9 2HG2 ILE 1 HG2 ILE 1 -0.362 3.236 11.061 10 3HG2 ILE 1 HG2 ILE 1 -1.516 4.600 11.008 11 1HD1 ILE 1 HD1 ILE 1 2.589 5.224 10.288 12 2HD1 ILE 1 HD1 ILE 1 1.333 3.959 10.205 13 3HD1 ILE 1 HD1 ILE 1 2.473 3.978 11.570 14 H ASP 2 HN ASP 2 -0.543 7.720 11.991 15 HA ASP 2 HA ASP 2 -3.470 8.035 11.470 16 1HB ASP 2 HB2 ASP 2 -1.272 10.160 11.585 17 2HB ASP 2 HB1 ASP 2 -2.969 10.471 11.243 18 H CYS 3 HN CYS 3 -4.113 8.309 9.358 19 HA CYS 3 HA CYS 3 -2.567 7.108 7.304 20 1HB CYS 3 HB2 CYS 3 -5.115 7.450 7.518 21 2HB CYS 3 HB1 CYS 3 -4.837 9.034 6.819 22 H GLY 4 HN GLY 4 -2.490 10.317 8.496 23 1HA GLY 4 HA2 GLY 4 -1.645 11.774 6.215 24 2HA GLY 4 HA1 GLY 4 -1.147 12.177 7.862 25 H HIS 5 HN HIS 5 0.366 9.921 8.528 26 HA HIS 5 HA HIS 5 2.775 10.471 6.935 27 1HB HIS 5 HB2 HIS 5 2.913 9.848 9.474 28 2HB HIS 5 HB1 HIS 5 2.552 8.188 8.984 29 HD1 HIS 5 HD1 HIS 5 5.209 7.935 9.900 30 HD2 HIS 5 HD2 HIS 5 4.743 9.817 6.295 31 HE1 HIS 5 HE1 HIS 5 7.402 7.898 8.796 32 H VAL 6 HN VAL 6 0.607 7.732 7.405 33 HA VAL 6 HA VAL 6 1.875 5.816 5.755 34 HB VAL 6 HB VAL 6 -1.112 6.290 5.869 35 1HG1 VAL 6 HG1 VAL 6 -0.335 4.786 4.101 36 2HG1 VAL 6 HG1 VAL 6 -1.309 3.975 5.311 37 3HG1 VAL 6 HG1 VAL 6 0.474 3.764 5.347 38 1HG2 VAL 6 HG2 VAL 6 -1.133 4.664 7.726 39 2HG2 VAL 6 HG2 VAL 6 -0.236 6.145 8.149 40 3HG2 VAL 6 HG2 VAL 6 0.666 4.668 7.720 41 H ASP 7 HN ASP 7 -0.231 8.535 4.902 42 HA ASP 7 HA ASP 7 -0.755 7.940 2.230 43 1HB ASP 7 HB2 ASP 7 -0.420 10.590 3.708 44 2HB ASP 7 HB1 ASP 7 -0.672 10.602 1.971 45 H SER 8 HN SER 8 1.823 10.127 3.301 46 HA SER 8 HA SER 8 3.179 10.204 0.814 47 1HB SER 8 HB2 SER 8 5.180 10.768 2.439 48 2HB SER 8 HB1 SER 8 3.766 11.831 2.435 49 HG SER 8 HG SER 8 3.498 9.609 4.180 50 H LEU 9 HN LEU 9 3.127 7.538 3.149 51 HA LEU 9 HA LEU 9 5.565 6.403 2.152 52 1HB LEU 9 HB2 LEU 9 3.370 5.635 4.087 53 2HB LEU 9 HB1 LEU 9 4.690 4.610 3.716 54 HG LEU 9 HG LEU 9 5.104 7.477 4.728 55 1HD1 LEU 9 HD1 LEU 9 3.768 6.215 6.336 56 2HD1 LEU 9 HD1 LEU 9 5.410 6.545 6.947 57 3HD1 LEU 9 HD1 LEU 9 5.011 4.918 6.341 58 1HD2 LEU 9 HD2 LEU 9 7.062 6.331 3.693 59 2HD2 LEU 9 HD2 LEU 9 6.885 5.000 4.879 60 3HD2 LEU 9 HD2 LEU 9 7.298 6.642 5.435 61 H VAL 10 HN VAL 10 2.095 5.872 1.759 62 HA VAL 10 HA VAL 10 2.661 3.608 -0.091 63 HB VAL 10 HB VAL 10 0.302 3.195 0.086 64 1HG1 VAL 10 HG1 VAL 10 1.612 3.993 2.751 65 2HG1 VAL 10 HG1 VAL 10 1.803 2.430 1.890 66 3HG1 VAL 10 HG1 VAL 10 0.231 2.897 2.627 67 1HG2 VAL 10 HG2 VAL 10 -1.171 4.539 1.547 68 2HG2 VAL 10 HG2 VAL 10 -0.655 5.329 0.024 69 3HG2 VAL 10 HG2 VAL 10 0.081 5.806 1.577 70 H ARG 11 HN ARG 11 1.764 6.926 -0.235 71 HA ARG 11 HA ARG 11 0.470 6.922 -2.743 72 1HB ARG 11 HB2 ARG 11 1.999 9.037 -1.209 73 2HB ARG 11 HB1 ARG 11 1.144 9.348 -2.704 74 1HG ARG 11 HG2 ARG 11 -0.287 7.887 -0.401 75 2HG ARG 11 HG1 ARG 11 -0.178 9.616 -0.305 76 1HD ARG 11 HD2 ARG 11 -1.312 8.249 -2.780 77 2HD ARG 11 HD1 ARG 11 -2.256 8.470 -1.308 78 HE ARG 11 HE ARG 11 -2.336 10.790 -1.676 79 1HH1 ARG 11 HH1 ARG 11 0.444 11.181 -1.948 80 2HH1 ARG 11 HH1 ARG 11 0.685 11.832 -3.524 81 1HH2 ARG 11 HH2 ARG 11 -2.540 10.520 -4.441 82 2HH2 ARG 11 HH2 ARG 11 -1.186 11.357 -5.121 83 HA PRO 12 HA PRO 12 4.777 7.797 -4.715 84 1HB PRO 12 HB2 PRO 12 6.922 6.480 -3.592 85 2HB PRO 12 HB1 PRO 12 6.477 8.135 -3.154 86 1HG PRO 12 HG2 PRO 12 5.651 5.535 -1.736 87 2HG PRO 12 HG1 PRO 12 6.384 6.978 -1.029 88 1HD PRO 12 HD2 PRO 12 3.775 6.724 -0.886 89 2HD PRO 12 HD1 PRO 12 4.404 8.311 -1.349 90 H CYS 13 HN CYS 13 3.743 4.564 -3.337 91 HA CYS 13 HA CYS 13 5.039 3.192 -5.449 92 1HB CYS 13 HB2 CYS 13 2.978 2.537 -3.354 93 2HB CYS 13 HB1 CYS 13 3.517 1.505 -4.563 94 H LEU 14 HN LEU 14 2.005 4.833 -5.013 95 HA LEU 14 HA LEU 14 0.459 3.489 -6.991 96 1HB LEU 14 HB2 LEU 14 0.402 6.302 -5.931 97 2HB LEU 14 HB1 LEU 14 -0.483 5.957 -7.395 98 HG LEU 14 HG LEU 14 -1.569 3.996 -6.123 99 1HD1 LEU 14 HD1 LEU 14 -0.638 5.674 -3.796 100 2HD1 LEU 14 HD1 LEU 14 -0.082 4.012 -4.156 101 3HD1 LEU 14 HD1 LEU 14 -1.794 4.322 -3.724 102 1HD2 LEU 14 HD2 LEU 14 -2.673 6.020 -6.864 103 2HD2 LEU 14 HD2 LEU 14 -2.113 6.873 -5.385 104 3HD2 LEU 14 HD2 LEU 14 -3.249 5.490 -5.267 105 H SER 15 HN SER 15 3.016 5.845 -7.327 106 HA SER 15 HA SER 15 2.606 6.850 -9.897 107 1HB SER 15 HB2 SER 15 5.263 5.949 -8.668 108 2HB SER 15 HB1 SER 15 5.051 7.175 -9.936 109 HG SER 15 HG SER 15 4.993 8.229 -8.019 110 H TYR 16 HN TYR 16 3.506 3.643 -8.983 111 HA TYR 16 HA TYR 16 4.132 2.915 -11.794 112 1HB TYR 16 HB2 TYR 16 5.594 2.036 -10.042 113 2HB TYR 16 HB1 TYR 16 4.251 1.366 -9.179 114 HD1 TYR 16 HD1 TYR 16 4.951 -0.917 -9.236 115 HD2 TYR 16 HD2 TYR 16 4.580 1.205 -12.918 116 HE1 TYR 16 HE1 TYR 16 5.061 -3.014 -10.486 117 HE2 TYR 16 HE2 TYR 16 4.694 -0.884 -14.135 118 HH TYR 16 HH TYR 16 4.045 -3.250 -13.577 119 H VAL 17 HN VAL 17 2.001 2.212 -9.212 120 HA VAL 17 HA VAL 17 0.309 0.245 -10.382 121 HB VAL 17 HB VAL 17 -0.725 2.458 -8.581 122 1HG1 VAL 17 HG1 VAL 17 -2.459 1.072 -9.626 123 2HG1 VAL 17 HG1 VAL 17 -2.330 0.675 -7.895 124 3HG1 VAL 17 HG1 VAL 17 -1.581 -0.397 -9.133 125 1HG2 VAL 17 HG2 VAL 17 0.595 -0.172 -8.056 126 2HG2 VAL 17 HG2 VAL 17 -0.155 0.818 -6.752 127 3HG2 VAL 17 HG2 VAL 17 1.286 1.412 -7.627 128 H GLN 18 HN GLN 18 0.209 3.793 -10.916 129 HA GLN 18 HA GLN 18 -2.259 3.752 -12.263 130 1HB GLN 18 HB2 GLN 18 -1.428 5.851 -13.053 131 2HB GLN 18 HB1 GLN 18 -1.385 5.767 -11.315 132 1HG GLN 18 HG2 GLN 18 1.099 5.411 -11.446 133 2HG GLN 18 HG1 GLN 18 1.043 5.471 -13.195 134 1HE2 GLN 18 HE2 GLN 18 -1.259 7.619 -12.590 135 2HE2 GLN 18 HE2 GLN 18 -0.331 9.025 -12.357 136 H GLY 19 HN GLY 19 0.872 2.737 -13.254 137 1HA GLY 19 HA2 GLY 19 1.189 1.461 -15.274 138 2HA GLY 19 HA1 GLY 19 -0.168 2.286 -16.024 139 H GLY 20 HN GLY 20 2.593 3.614 -14.283 140 1HA GLY 20 HA2 GLY 20 3.663 4.789 -16.828 141 2HA GLY 20 HA1 GLY 20 3.343 5.831 -15.435 142 HA PRO 21 HA PRO 21 7.673 4.214 -15.088 143 1HB PRO 21 HB2 PRO 21 8.962 6.600 -14.798 144 2HB PRO 21 HB1 PRO 21 8.495 6.004 -16.397 145 1HG PRO 21 HG2 PRO 21 6.905 7.896 -14.565 146 2HG PRO 21 HG1 PRO 21 7.396 8.203 -16.236 147 1HD PRO 21 HD2 PRO 21 4.927 7.221 -15.721 148 2HD PRO 21 HD1 PRO 21 5.831 6.553 -17.101 149 H GLY 22 HN GLY 22 8.257 3.502 -13.041 150 1HA GLY 22 HA2 GLY 22 8.529 4.983 -10.736 151 2HA GLY 22 HA1 GLY 22 6.823 4.498 -10.767 152 HA PRO 23 HA PRO 23 6.245 3.822 -8.935 153 1HB PRO 23 HB2 PRO 23 6.731 3.168 -6.391 154 2HB PRO 23 HB1 PRO 23 5.797 2.110 -7.449 155 1HG PRO 23 HG2 PRO 23 8.754 1.897 -6.643 156 2HG PRO 23 HG1 PRO 23 7.540 0.642 -6.737 157 1HD PRO 23 HD2 PRO 23 9.318 1.100 -8.809 158 2HD PRO 23 HD1 PRO 23 7.670 0.483 -9.096 159 H SER 24 HN SER 24 9.274 3.525 -7.096 160 HA SER 24 HA SER 24 10.420 6.075 -7.669 161 1HB SER 24 HB2 SER 24 9.760 7.254 -5.491 162 2HB SER 24 HB1 SER 24 8.370 7.028 -6.566 163 HG SER 24 HG SER 24 7.752 5.309 -5.475 164 H GLY 25 HN GLY 25 12.053 6.688 -6.018 165 1HA GLY 25 HA2 GLY 25 13.462 4.255 -5.167 166 2HA GLY 25 HA1 GLY 25 14.044 5.918 -4.960 167 H GLN 26 HN GLN 26 10.953 6.009 -3.982 168 HA GLN 26 HA GLN 26 11.692 5.497 -1.087 169 1HB GLN 26 HB2 GLN 26 9.679 7.434 -2.327 170 2HB GLN 26 HB1 GLN 26 9.567 6.965 -0.645 171 1HG GLN 26 HG2 GLN 26 12.083 7.727 -0.480 172 2HG GLN 26 HG1 GLN 26 11.800 8.492 -2.037 173 1HE2 GLN 26 HE2 GLN 26 11.438 8.924 1.328 174 2HE2 GLN 26 HE2 GLN 26 10.352 10.230 1.261 175 H CYS 27 HN CYS 27 9.528 4.517 -3.632 176 HA CYS 27 HA CYS 27 7.367 3.506 -2.162 177 1HB CYS 27 HB2 CYS 27 7.497 3.472 -4.579 178 2HB CYS 27 HB1 CYS 27 8.821 2.325 -4.539 179 H CYS 28 HN CYS 28 10.560 2.060 -2.621 180 HA CYS 28 HA CYS 28 9.767 -0.296 -1.061 181 1HB CYS 28 HB2 CYS 28 12.312 0.639 -2.389 182 2HB CYS 28 HB1 CYS 28 12.372 -0.688 -1.249 183 H ASP 29 HN ASP 29 12.319 2.136 -0.419 184 HA ASP 29 HA ASP 29 12.651 1.337 2.279 185 1HB ASP 29 HB2 ASP 29 13.765 3.286 0.485 186 2HB ASP 29 HB1 ASP 29 13.173 4.200 1.852 187 H GLY 30 HN GLY 30 10.363 3.533 0.841 188 1HA GLY 30 HA2 GLY 30 9.398 4.668 3.322 189 2HA GLY 30 HA1 GLY 30 8.591 4.763 1.759 190 H VAL 31 HN VAL 31 8.008 2.226 1.100 191 HA VAL 31 HA VAL 31 5.889 1.605 2.977 192 HB VAL 31 HB VAL 31 6.849 0.140 0.468 193 1HG1 VAL 31 HG1 VAL 31 5.315 -1.194 1.843 194 2HG1 VAL 31 HG1 VAL 31 4.535 -0.651 0.327 195 3HG1 VAL 31 HG1 VAL 31 4.152 0.161 1.876 196 1HG2 VAL 31 HG2 VAL 31 5.085 1.400 -0.640 197 2HG2 VAL 31 HG2 VAL 31 6.256 2.539 0.080 198 3HG2 VAL 31 HG2 VAL 31 4.689 2.247 0.887 199 H LYS 32 HN LYS 32 9.041 0.119 2.294 200 HA LYS 32 HA LYS 32 8.650 -2.279 3.712 201 1HB LYS 32 HB2 LYS 32 10.663 -1.613 2.196 202 2HB LYS 32 HB1 LYS 32 11.279 -0.709 3.566 203 1HG LYS 32 HG2 LYS 32 11.499 -2.661 4.911 204 2HG LYS 32 HG1 LYS 32 10.442 -3.600 3.876 205 1HD LYS 32 HD2 LYS 32 12.326 -3.105 2.034 206 2HD LYS 32 HD1 LYS 32 13.323 -2.768 3.435 207 1HE LYS 32 HE2 LYS 32 13.436 -4.954 4.123 208 2HE LYS 32 HE1 LYS 32 11.771 -5.312 3.714 209 1HZ LYS 32 HZ1 LYS 32 14.053 -5.999 2.276 210 2HZ LYS 32 HZ2 LYS 32 13.231 -4.864 1.335 211 3HZ LYS 32 HZ3 LYS 32 12.454 -6.297 1.832 212 H ASN 33 HN ASN 33 9.659 0.932 4.687 213 HA ASN 33 HA ASN 33 10.140 0.213 7.446 214 1HB ASN 33 HB2 ASN 33 9.810 2.821 5.887 215 2HB ASN 33 HB1 ASN 33 9.593 2.900 7.615 216 1HD2 ASN 33 HD2 ASN 33 11.989 2.708 5.189 217 2HD2 ASN 33 HD2 ASN 33 13.327 2.448 6.199 218 H LEU 34 HN LEU 34 7.361 1.870 5.964 219 HA LEU 34 HA LEU 34 5.700 1.988 8.222 220 1HB LEU 34 HB2 LEU 34 5.100 3.011 6.091 221 2HB LEU 34 HB1 LEU 34 5.022 1.466 5.295 222 HG LEU 34 HG LEU 34 3.199 1.282 7.553 223 1HD1 LEU 34 HD1 LEU 34 3.240 3.721 7.677 224 2HD1 LEU 34 HD1 LEU 34 1.676 3.051 7.139 225 3HD1 LEU 34 HD1 LEU 34 2.785 3.785 5.943 226 1HD2 LEU 34 HD2 LEU 34 3.002 0.157 5.380 227 2HD2 LEU 34 HD2 LEU 34 2.625 1.739 4.629 228 3HD2 LEU 34 HD2 LEU 34 1.516 1.029 5.847 229 H HIS 35 HN HIS 35 5.842 -0.616 5.805 230 HA HIS 35 HA HIS 35 3.985 -2.357 6.995 231 1HB HIS 35 HB2 HIS 35 4.938 -2.816 4.829 232 2HB HIS 35 HB1 HIS 35 6.506 -3.168 5.463 233 HD1 HIS 35 HD1 HIS 35 4.243 -4.599 7.848 234 HD2 HIS 35 HD2 HIS 35 5.500 -5.823 4.143 235 HE1 HIS 35 HE1 HIS 35 3.751 -6.981 7.710 236 H ASN 36 HN ASN 36 7.494 -2.336 7.414 237 HA ASN 36 HA ASN 36 7.573 -4.366 9.429 238 1HB ASN 36 HB2 ASN 36 9.588 -3.130 8.113 239 2HB ASN 36 HB1 ASN 36 9.514 -2.049 9.470 240 1HD2 ASN 36 HD2 ASN 36 8.650 -4.455 11.345 241 2HD2 ASN 36 HD2 ASN 36 10.151 -5.205 11.587 242 H GLN 37 HN GLN 37 7.213 -0.875 9.685 243 HA GLN 37 HA GLN 37 7.356 -0.704 12.528 244 1HB GLN 37 HB2 GLN 37 6.272 1.042 10.310 245 2HB GLN 37 HB1 GLN 37 5.657 1.372 11.914 246 1HG GLN 37 HG2 GLN 37 8.654 1.168 11.389 247 2HG GLN 37 HG1 GLN 37 7.786 2.682 11.204 248 1HE2 GLN 37 HE2 GLN 37 8.178 3.923 13.099 249 2HE2 GLN 37 HE2 GLN 37 8.128 3.276 14.674 250 H ALA 38 HN ALA 38 4.684 -1.294 10.371 251 HA ALA 38 HA ALA 38 2.666 -1.348 12.461 252 1HB ALA 38 HB1 ALA 38 1.226 -2.343 10.672 253 2HB ALA 38 HB2 ALA 38 2.702 -2.541 9.683 254 3HB ALA 38 HB3 ALA 38 2.122 -0.900 10.108 255 H ARG 39 HN ARG 39 2.781 -2.779 14.052 256 HA ARG 39 HA ARG 39 3.066 -5.677 13.305 257 1HB ARG 39 HB2 ARG 39 4.879 -4.092 14.543 258 2HB ARG 39 HB1 ARG 39 4.062 -4.719 15.938 259 1HG ARG 39 HG2 ARG 39 5.036 -6.618 13.789 260 2HG ARG 39 HG1 ARG 39 6.150 -5.980 14.969 261 1HD ARG 39 HD2 ARG 39 4.426 -6.809 16.772 262 2HD ARG 39 HD1 ARG 39 3.689 -7.715 15.462 263 HE ARG 39 HE ARG 39 5.797 -8.979 15.200 264 1HH1 ARG 39 HH1 ARG 39 7.533 -6.896 16.290 265 2HH1 ARG 39 HH1 ARG 39 7.987 -7.471 17.853 266 1HH2 ARG 39 HH2 ARG 39 5.300 -9.819 17.790 267 2HH2 ARG 39 HH2 ARG 39 6.596 -9.269 18.778 268 H SER 40 HN SER 40 0.951 -3.596 14.370 269 HA SER 40 HA SER 40 -0.460 -5.466 16.255 270 1HB SER 40 HB2 SER 40 -1.439 -3.382 17.281 271 2HB SER 40 HB1 SER 40 0.320 -3.228 17.234 272 HG SER 40 HG SER 40 0.181 -1.832 15.629 273 H GLN 41 HN GLN 41 -2.966 -4.360 16.302 274 HA GLN 41 HA GLN 41 -3.857 -4.772 13.518 275 1HB GLN 41 HB2 GLN 41 -4.945 -5.353 16.257 276 2HB GLN 41 HB1 GLN 41 -6.113 -4.703 15.158 277 1HG GLN 41 HG2 GLN 41 -5.672 -6.615 13.573 278 2HG GLN 41 HG1 GLN 41 -4.317 -7.148 14.580 279 1HE2 GLN 41 HE2 GLN 41 -7.366 -8.129 13.856 280 2HE2 GLN 41 HE2 GLN 41 -7.813 -8.711 15.391 281 H SER 42 HN SER 42 -2.736 -2.256 14.997 282 HA SER 42 HA SER 42 -4.991 -0.394 14.347 283 1HB SER 42 HB2 SER 42 -2.515 0.039 16.099 284 2HB SER 42 HB1 SER 42 -3.750 1.267 15.761 285 HG SER 42 HG SER 42 -3.857 -0.774 17.519 286 H ASP 43 HN ASP 43 -1.519 -0.977 13.996 287 HA ASP 43 HA ASP 43 -1.081 1.255 12.213 288 1HB ASP 43 HB2 ASP 43 0.552 -0.189 13.749 289 2HB ASP 43 HB1 ASP 43 0.649 -1.162 12.308 290 H ARG 44 HN ARG 44 -1.582 -2.149 11.713 291 HA ARG 44 HA ARG 44 -1.248 -2.049 8.834 292 1HB ARG 44 HB2 ARG 44 -0.965 -4.099 10.178 293 2HB ARG 44 HB1 ARG 44 -2.655 -4.059 10.608 294 1HG ARG 44 HG2 ARG 44 -2.885 -4.058 7.839 295 2HG ARG 44 HG1 ARG 44 -1.325 -4.836 8.002 296 1HD ARG 44 HD2 ARG 44 -3.116 -6.552 8.085 297 2HD ARG 44 HD1 ARG 44 -2.292 -6.429 9.643 298 HE ARG 44 HE ARG 44 -4.850 -5.004 8.986 299 1HH1 ARG 44 HH2 ARG 44 -3.543 -7.463 10.738 300 2HH1 ARG 44 HH2 ARG 44 -4.238 -7.109 12.269 301 1HH2 ARG 44 HH1 ARG 44 -5.589 -4.071 11.012 302 2HH2 ARG 44 HH1 ARG 44 -5.570 -5.043 12.407 303 H GLN 45 HN GLN 45 -4.104 -2.257 10.932 304 HA GLN 45 HA GLN 45 -5.991 -2.084 8.800 305 1HB GLN 45 HB2 GLN 45 -6.020 -2.227 11.734 306 2HB GLN 45 HB1 GLN 45 -7.035 -0.913 11.251 307 1HG GLN 45 HG2 GLN 45 -8.556 -2.248 10.130 308 2HG GLN 45 HG1 GLN 45 -7.382 -3.441 9.628 309 1HE2 GLN 45 HE2 GLN 45 -7.574 -5.414 10.736 310 2HE2 GLN 45 HE2 GLN 45 -8.337 -5.611 12.207 311 H SER 46 HN SER 46 -4.263 0.452 10.607 312 HA SER 46 HA SER 46 -5.876 2.597 9.476 313 1HB SER 46 HB2 SER 46 -3.067 2.591 10.655 314 2HB SER 46 HB1 SER 46 -3.914 4.049 10.132 315 HG SER 46 HG SER 46 -4.480 2.247 12.130 316 H ALA 47 HN ALA 47 -2.580 1.385 8.675 317 HA ALA 47 HA ALA 47 -2.360 3.021 6.408 318 1HB ALA 47 HB1 ALA 47 -0.630 1.294 5.669 319 2HB ALA 47 HB2 ALA 47 -1.210 0.266 7.015 320 3HB ALA 47 HB3 ALA 47 -0.413 1.813 7.376 321 H CYS 48 HN CYS 48 -3.899 -0.173 6.745 322 HA CYS 48 HA CYS 48 -4.272 -0.764 4.067 323 1HB CYS 48 HB2 CYS 48 -5.616 -1.326 6.699 324 2HB CYS 48 HB1 CYS 48 -6.248 -1.962 5.233 325 H ASN 49 HN ASN 49 -6.160 1.250 6.236 326 HA ASN 49 HA ASN 49 -8.352 1.771 4.465 327 1HB ASN 49 HB2 ASN 49 -7.155 3.332 6.794 328 2HB ASN 49 HB1 ASN 49 -8.428 4.038 5.845 329 1HD2 ASN 49 HD2 ASN 49 -7.819 1.485 8.050 330 2HD2 ASN 49 HD2 ASN 49 -9.499 1.239 8.220 331 H CYS 50 HN CYS 50 -5.317 3.461 4.940 332 HA CYS 50 HA CYS 50 -5.681 5.648 3.221 333 1HB CYS 50 HB2 CYS 50 -3.142 4.011 3.626 334 2HB CYS 50 HB1 CYS 50 -3.220 5.672 3.103 335 H LEU 51 HN LEU 51 -4.335 2.523 2.340 336 HA LEU 51 HA LEU 51 -4.221 3.102 -0.495 337 1HB LEU 51 HB2 LEU 51 -4.337 0.404 0.914 338 2HB LEU 51 HB1 LEU 51 -4.089 0.568 -0.804 339 HG LEU 51 HG LEU 51 -2.039 2.044 -0.245 340 1HD1 LEU 51 HD1 LEU 51 -2.666 0.962 2.468 341 2HD1 LEU 51 HD1 LEU 51 -2.490 2.677 1.978 342 3HD1 LEU 51 HD1 LEU 51 -1.063 1.611 2.002 343 1HD2 LEU 51 HD2 LEU 51 -0.553 0.177 0.256 344 2HD2 LEU 51 HD2 LEU 51 -1.757 -0.253 -0.993 345 3HD2 LEU 51 HD2 LEU 51 -1.971 -0.825 0.685 346 H LYS 52 HN LYS 52 -6.615 1.240 1.354 347 HA LYS 52 HA LYS 52 -8.312 0.589 -0.793 348 1HB LYS 52 HB2 LYS 52 -8.037 -0.183 1.672 349 2HB LYS 52 HB1 LYS 52 -9.074 1.143 2.116 350 1HG LYS 52 HG2 LYS 52 -9.806 -1.073 0.171 351 2HG LYS 52 HG1 LYS 52 -10.152 -1.117 1.891 352 1HD LYS 52 HD2 LYS 52 -11.346 1.112 1.606 353 2HD LYS 52 HD1 LYS 52 -11.208 0.869 -0.137 354 1HE LYS 52 HE2 LYS 52 -12.477 -1.173 -0.087 355 2HE LYS 52 HE1 LYS 52 -12.405 -1.268 1.671 356 1HZ LYS 52 HZ1 LYS 52 -14.307 0.024 0.088 357 2HZ LYS 52 HZ2 LYS 52 -13.467 1.215 0.974 358 3HZ LYS 52 HZ3 LYS 52 -14.216 -0.071 1.794 359 H GLY 53 HN GLY 53 -8.478 3.420 1.374 360 1HA GLY 53 HA2 GLY 53 -10.745 4.675 0.225 361 2HA GLY 53 HA1 GLY 53 -9.470 5.509 1.131 362 H ILE 54 HN ILE 54 -7.281 4.893 -0.485 363 HA ILE 54 HA ILE 54 -7.499 6.860 -2.543 364 HB ILE 54 HB ILE 54 -5.435 4.766 -1.748 365 1HG1 ILE 54 HG1 ILE 54 -5.262 7.806 -1.600 366 2HG1 ILE 54 HG1 ILE 54 -5.893 6.828 -0.305 367 1HG2 ILE 54 HG2 ILE 54 -5.087 6.833 -3.922 368 2HG2 ILE 54 HG2 ILE 54 -5.198 5.065 -4.153 369 3HG2 ILE 54 HG2 ILE 54 -3.821 5.764 -3.245 370 1HD1 ILE 54 HD1 ILE 54 -3.510 7.345 0.096 371 2HD1 ILE 54 HD1 ILE 54 -3.069 6.582 -1.470 372 3HD1 ILE 54 HD1 ILE 54 -3.725 5.593 -0.142 373 H ALA 55 HN ALA 55 -6.763 3.419 -2.966 374 HA ALA 55 HA ALA 55 -7.044 3.251 -5.711 375 1HB ALA 55 HB1 ALA 55 -7.966 1.227 -3.621 376 2HB ALA 55 HB2 ALA 55 -6.302 1.383 -4.267 377 3HB ALA 55 HB3 ALA 55 -7.628 0.847 -5.335 378 H ARG 56 HN ARG 56 -9.606 3.268 -3.310 379 HA ARG 56 HA ARG 56 -11.754 2.567 -5.029 380 1HB ARG 56 HB2 ARG 56 -11.765 2.698 -2.470 381 2HB ARG 56 HB1 ARG 56 -11.869 4.444 -2.629 382 1HG ARG 56 HG2 ARG 56 -13.966 4.154 -4.002 383 2HG ARG 56 HG1 ARG 56 -13.857 2.421 -3.778 384 1HD ARG 56 HD2 ARG 56 -14.001 2.813 -1.266 385 2HD ARG 56 HD1 ARG 56 -14.247 4.526 -1.607 386 HE ARG 56 HE ARG 56 -16.113 2.382 -2.615 387 1HH1 ARG 56 HH2 ARG 56 -16.974 3.597 -0.164 388 2HH1 ARG 56 HH2 ARG 56 -17.898 4.967 -0.636 389 1HH2 ARG 56 HH1 ARG 56 -16.492 4.880 -3.894 390 2HH2 ARG 56 HH1 ARG 56 -17.645 5.731 -2.931 391 H GLY 57 HN GLY 57 -10.121 5.630 -4.618 392 1HA GLY 57 HA2 GLY 57 -12.210 6.998 -6.243 393 2HA GLY 57 HA1 GLY 57 -10.895 7.786 -5.377 394 H ILE 58 HN ILE 58 -10.280 4.954 -7.381 395 HA ILE 58 HA ILE 58 -9.041 6.756 -9.419 396 HB ILE 58 HB ILE 58 -8.092 4.014 -8.430 397 1HG1 ILE 58 HG1 ILE 58 -7.103 6.866 -7.903 398 2HG1 ILE 58 HG1 ILE 58 -7.724 5.736 -6.733 399 1HG2 ILE 58 HG2 ILE 58 -6.088 4.402 -9.769 400 2HG2 ILE 58 HG2 ILE 58 -6.767 5.955 -10.355 401 3HG2 ILE 58 HG2 ILE 58 -7.534 4.397 -10.800 402 1HD1 ILE 58 HD1 ILE 58 -5.740 4.256 -7.075 403 2HD1 ILE 58 HD1 ILE 58 -5.301 5.902 -6.528 404 3HD1 ILE 58 HD1 ILE 58 -5.088 5.440 -8.244 405 H HIS 59 HN HIS 59 -9.446 6.225 -11.535 406 HA HIS 59 HA HIS 59 -11.652 4.281 -11.985 407 1HB HIS 59 HB2 HIS 59 -11.810 6.608 -12.939 408 2HB HIS 59 HB1 HIS 59 -10.371 6.302 -13.899 409 HD1 HIS 59 HD1 HIS 59 -12.362 6.824 -15.730 410 HD2 HIS 59 HD2 HIS 59 -12.435 3.110 -14.045 411 HE1 HIS 59 HE1 HIS 59 -13.736 5.402 -17.229 412 H ASN 60 HN ASN 60 -8.480 5.074 -13.463 413 HA ASN 60 HA ASN 60 -8.380 2.340 -14.635 414 1HB ASN 60 HB2 ASN 60 -7.585 4.396 -15.981 415 2HB ASN 60 HB1 ASN 60 -6.222 4.487 -14.867 416 1HD2 ASN 60 HD2 ASN 60 -6.525 3.594 -17.859 417 2HD2 ASN 60 HD2 ASN 60 -5.654 2.136 -17.871 418 H LEU 61 HN LEU 61 -8.244 1.322 -12.591 419 HA LEU 61 HA LEU 61 -5.758 1.689 -11.016 420 1HB LEU 61 HB2 LEU 61 -8.114 1.445 -10.041 421 2HB LEU 61 HB1 LEU 61 -8.125 -0.189 -10.656 422 HG LEU 61 HG LEU 61 -6.231 0.881 -8.530 423 1HD1 LEU 61 HD1 LEU 61 -8.567 0.741 -7.820 424 2HD1 LEU 61 HD1 LEU 61 -7.581 -0.523 -7.031 425 3HD1 LEU 61 HD1 LEU 61 -8.643 -0.951 -8.400 426 1HD2 LEU 61 HD2 LEU 61 -6.719 -1.941 -9.557 427 2HD2 LEU 61 HD2 LEU 61 -5.718 -1.503 -8.141 428 3HD2 LEU 61 HD2 LEU 61 -5.204 -0.992 -9.758 429 H ASN 62 HN ASN 62 -3.944 0.394 -11.464 430 HA ASN 62 HA ASN 62 -4.392 -1.969 -13.224 431 1HB ASN 62 HB2 ASN 62 -2.755 -0.095 -13.911 432 2HB ASN 62 HB1 ASN 62 -1.791 -0.606 -12.530 433 1HD2 ASN 62 HD2 ASN 62 -2.007 -1.101 -15.792 434 2HD2 ASN 62 HD2 ASN 62 -1.236 -2.618 -15.806 435 H GLU 63 HN GLU 63 -4.641 -3.781 -12.039 436 HA GLU 63 HA GLU 63 -3.516 -4.090 -9.384 437 1HB GLU 63 HB2 GLU 63 -5.693 -5.275 -10.247 438 2HB GLU 63 HB1 GLU 63 -4.633 -6.397 -11.098 439 1HG GLU 63 HG2 GLU 63 -3.763 -7.316 -9.067 440 2HG GLU 63 HG1 GLU 63 -4.182 -5.910 -8.122 441 H ASP 64 HN ASP 64 -2.483 -5.071 -12.593 442 HA ASP 64 HA ASP 64 -0.482 -6.958 -11.893 443 1HB ASP 64 HB2 ASP 64 -1.099 -6.445 -14.300 444 2HB ASP 64 HB1 ASP 64 -0.256 -4.901 -14.156 445 H ASN 65 HN ASN 65 -0.234 -3.462 -12.248 446 HA ASN 65 HA ASN 65 2.547 -3.349 -11.485 447 1HB ASN 65 HB2 ASN 65 0.365 -1.270 -11.621 448 2HB ASN 65 HB1 ASN 65 2.056 -0.834 -11.352 449 1HD2 ASN 65 HD2 ASN 65 0.333 -0.126 -13.690 450 2HD2 ASN 65 HD2 ASN 65 1.095 -0.837 -15.043 451 H ALA 66 HN ALA 66 -0.448 -2.469 -9.687 452 HA ALA 66 HA ALA 66 0.704 -1.823 -7.208 453 1HB ALA 66 HB1 ALA 66 -1.834 -3.401 -7.698 454 2HB ALA 66 HB2 ALA 66 -1.727 -1.613 -7.640 455 3HB ALA 66 HB3 ALA 66 -1.376 -2.560 -6.181 456 H ARG 67 HN ARG 67 -0.055 -5.004 -8.461 457 HA ARG 67 HA ARG 67 0.817 -6.363 -6.045 458 1HB ARG 67 HB2 ARG 67 -0.997 -6.934 -7.881 459 2HB ARG 67 HB1 ARG 67 0.354 -7.564 -8.787 460 1HG ARG 67 HG2 ARG 67 0.885 -9.055 -6.860 461 2HG ARG 67 HG1 ARG 67 -0.503 -8.407 -5.986 462 1HD ARG 67 HD2 ARG 67 -2.039 -9.175 -7.795 463 2HD ARG 67 HD1 ARG 67 -0.671 -9.779 -8.721 464 HE ARG 67 HE ARG 67 -1.610 -10.907 -6.100 465 1HH1 ARG 67 HH1 ARG 67 1.214 -11.329 -6.569 466 2HH1 ARG 67 HH1 ARG 67 1.320 -12.789 -7.482 467 1HH2 ARG 67 HH2 ARG 67 -2.086 -12.660 -8.333 468 2HH2 ARG 67 HH2 ARG 67 -0.645 -13.574 -8.544 469 H SER 68 HN SER 68 2.299 -5.186 -8.938 470 HA SER 68 HA SER 68 4.633 -6.951 -8.738 471 1HB SER 68 HB2 SER 68 3.882 -4.666 -10.561 472 2HB SER 68 HB1 SER 68 5.506 -5.402 -10.612 473 HG SER 68 HG SER 68 3.020 -6.438 -11.181 474 H ILE 69 HN ILE 69 3.749 -4.232 -7.051 475 HA ILE 69 HA ILE 69 6.345 -2.932 -6.783 476 HB ILE 69 HB ILE 69 3.871 -2.825 -4.938 477 1HG1 ILE 69 HG1 ILE 69 4.598 -0.647 -6.855 478 2HG1 ILE 69 HG1 ILE 69 3.630 -2.002 -7.392 479 1HG2 ILE 69 HG2 ILE 69 6.273 -1.042 -5.126 480 2HG2 ILE 69 HG2 ILE 69 5.879 -2.133 -3.764 481 3HG2 ILE 69 HG2 ILE 69 4.830 -0.731 -4.107 482 1HD1 ILE 69 HD1 ILE 69 2.959 -0.273 -4.943 483 2HD1 ILE 69 HD1 ILE 69 1.977 -1.615 -5.586 484 3HD1 ILE 69 HD1 ILE 69 2.242 -0.130 -6.563 485 HA PRO 70 HA PRO 70 6.608 -5.296 -2.591 486 1HB PRO 70 HB2 PRO 70 5.058 -7.608 -2.388 487 2HB PRO 70 HB1 PRO 70 4.660 -6.029 -1.678 488 1HG PRO 70 HG2 PRO 70 3.635 -7.257 -4.299 489 2HG PRO 70 HG1 PRO 70 2.778 -6.353 -3.071 490 1HD PRO 70 HD2 PRO 70 3.584 -5.084 -5.293 491 2HD PRO 70 HD1 PRO 70 3.623 -4.305 -3.700 492 HA PRO 71 HA PRO 71 8.033 -9.469 -4.533 493 1HB PRO 71 HB2 PRO 71 7.879 -9.699 -7.278 494 2HB PRO 71 HB1 PRO 71 6.613 -10.287 -6.197 495 1HG PRO 71 HG2 PRO 71 6.742 -7.576 -7.641 496 2HG PRO 71 HG1 PRO 71 5.417 -8.730 -7.581 497 1HD PRO 71 HD2 PRO 71 5.363 -6.686 -5.868 498 2HD PRO 71 HD1 PRO 71 4.940 -8.315 -5.299 499 H LYS 72 HN LYS 72 8.350 -6.881 -6.946 500 HA LYS 72 HA LYS 72 11.119 -7.310 -7.461 501 1HB LYS 72 HB2 LYS 72 11.163 -4.987 -8.270 502 2HB LYS 72 HB1 LYS 72 9.810 -5.879 -8.969 503 1HG LYS 72 HG2 LYS 72 8.398 -4.808 -7.100 504 2HG LYS 72 HG1 LYS 72 9.755 -3.768 -6.759 505 1HD LYS 72 HD2 LYS 72 8.443 -4.018 -9.488 506 2HD LYS 72 HD1 LYS 72 8.021 -2.782 -8.328 507 1HE LYS 72 HE2 LYS 72 10.308 -1.842 -8.396 508 2HE LYS 72 HE1 LYS 72 10.830 -3.118 -9.493 509 1HZ LYS 72 HZ1 LYS 72 10.129 -1.871 -11.185 510 2HZ LYS 72 HZ2 LYS 72 9.551 -0.678 -10.154 511 3HZ LYS 72 HZ3 LYS 72 8.545 -1.972 -10.627 512 H CYS 73 HN CYS 73 9.484 -5.327 -5.096 513 HA CYS 73 HA CYS 73 11.832 -4.027 -4.079 514 1HB CYS 73 HB2 CYS 73 9.322 -3.492 -3.902 515 2HB CYS 73 HB1 CYS 73 9.280 -4.678 -2.699 516 H GLY 74 HN GLY 74 9.893 -6.671 -2.655 517 1HA GLY 74 HA2 GLY 74 10.938 -8.670 -1.739 518 2HA GLY 74 HA1 GLY 74 12.381 -7.730 -1.386 519 H VAL 75 HN VAL 75 9.096 -6.659 -0.725 520 HA VAL 75 HA VAL 75 9.615 -6.965 2.189 521 HB VAL 75 HB VAL 75 8.502 -4.878 2.488 522 1HG1 VAL 75 HG1 VAL 75 10.759 -4.608 1.689 523 2HG1 VAL 75 HG1 VAL 75 9.751 -3.250 1.104 524 3HG1 VAL 75 HG1 VAL 75 10.194 -4.572 -0.007 525 1HG2 VAL 75 HG2 VAL 75 6.627 -5.088 1.003 526 2HG2 VAL 75 HG2 VAL 75 7.699 -4.852 -0.413 527 3HG2 VAL 75 HG2 VAL 75 7.450 -3.525 0.763 528 H ASN 76 HN ASN 76 7.402 -7.339 -0.383 529 HA ASN 76 HA ASN 76 5.364 -8.449 -0.560 530 1HB ASN 76 HB2 ASN 76 6.965 -10.176 0.560 531 2HB ASN 76 HB1 ASN 76 6.012 -9.865 1.998 532 1HD2 ASN 76 HD2 ASN 76 3.837 -10.712 2.060 533 2HD2 ASN 76 HD2 ASN 76 3.134 -11.552 0.752 534 H LEU 77 HN LEU 77 3.876 -6.827 -0.180 535 HA LEU 77 HA LEU 77 3.201 -6.146 2.602 536 1HB LEU 77 HB2 LEU 77 2.734 -4.835 -0.032 537 2HB LEU 77 HB1 LEU 77 1.281 -4.905 0.874 538 HG LEU 77 HG LEU 77 2.261 -3.827 2.801 539 1HD1 LEU 77 HD1 LEU 77 4.761 -3.508 1.139 540 2HD1 LEU 77 HD1 LEU 77 4.596 -4.581 2.561 541 3HD1 LEU 77 HD1 LEU 77 4.438 -2.820 2.765 542 1HD2 LEU 77 HD2 LEU 77 1.215 -2.461 1.100 543 2HD2 LEU 77 HD2 LEU 77 2.769 -2.313 0.217 544 3HD2 LEU 77 HD2 LEU 77 2.593 -1.617 1.855 545 HA PRO 78 HA PRO 78 -0.325 -8.842 2.480 546 1HB PRO 78 HB2 PRO 78 -1.592 -7.452 4.732 547 2HB PRO 78 HB1 PRO 78 -0.749 -8.993 4.723 548 1HG PRO 78 HG2 PRO 78 0.345 -6.776 5.997 549 2HG PRO 78 HG1 PRO 78 1.354 -8.026 5.271 550 1HD PRO 78 HD2 PRO 78 0.497 -5.374 3.980 551 2HD PRO 78 HD1 PRO 78 2.115 -6.087 4.159 552 H TYR 79 HN TYR 79 -0.443 -5.624 1.605 553 HA TYR 79 HA TYR 79 -2.909 -5.995 0.188 554 1HB TYR 79 HB2 TYR 79 -4.266 -4.220 1.470 555 2HB TYR 79 HB1 TYR 79 -3.878 -5.592 2.486 556 HD1 TYR 79 HD1 TYR 79 -3.239 -2.067 1.843 557 HD2 TYR 79 HD2 TYR 79 -2.018 -5.427 4.140 558 HE1 TYR 79 HE1 TYR 79 -1.970 -0.606 3.359 559 HE2 TYR 79 HE2 TYR 79 -0.760 -3.935 5.645 560 HH TYR 79 HH TYR 79 -1.092 -1.346 6.224 561 H THR 80 HN THR 80 -2.897 -4.604 -1.585 562 HA THR 80 HA THR 80 -0.950 -2.324 -1.515 563 HB THR 80 HB THR 80 -0.175 -4.277 -3.000 564 HG1 THR 80 HG1 THR 80 0.446 -2.938 -4.528 565 1HG2 THR 80 HG2 THR 80 -1.313 -4.700 -5.102 566 2HG2 THR 80 HG2 THR 80 -2.610 -3.540 -4.678 567 3HG2 THR 80 HG2 THR 80 -2.432 -5.059 -3.754 568 H ILE 81 HN ILE 81 -1.764 -1.409 -4.039 569 HA ILE 81 HA ILE 81 -4.213 0.090 -3.288 570 HB ILE 81 HB ILE 81 -2.573 0.248 -5.863 571 1HG1 ILE 81 HG1 ILE 81 -0.991 0.625 -4.073 572 2HG1 ILE 81 HG1 ILE 81 -1.319 2.160 -4.837 573 1HG2 ILE 81 HG2 ILE 81 -4.699 1.356 -6.074 574 2HG2 ILE 81 HG2 ILE 81 -3.369 2.545 -6.055 575 3HG2 ILE 81 HG2 ILE 81 -4.372 2.314 -4.595 576 1HD1 ILE 81 HD1 ILE 81 -2.593 1.167 -2.249 577 2HD1 ILE 81 HD1 ILE 81 -2.949 2.737 -3.015 578 3HD1 ILE 81 HD1 ILE 81 -1.305 2.395 -2.386 579 H SER 82 HN SER 82 -5.456 -2.023 -3.329 580 HA SER 82 HA SER 82 -6.926 -2.220 -5.858 581 1HB SER 82 HB2 SER 82 -5.107 -3.934 -6.395 582 2HB SER 82 HB1 SER 82 -5.430 -4.721 -4.845 583 HG SER 82 HG SER 82 -6.759 -5.236 -7.077 584 H LEU 83 HN LEU 83 -8.519 -4.202 -5.556 585 HA LEU 83 HA LEU 83 -9.624 -4.086 -2.761 586 1HB LEU 83 HB2 LEU 83 -11.144 -4.349 -5.388 587 2HB LEU 83 HB1 LEU 83 -11.861 -4.214 -3.801 588 HG LEU 83 HG LEU 83 -10.054 -2.025 -4.951 589 1HD1 LEU 83 HD1 LEU 83 -11.938 -2.370 -6.454 590 2HD1 LEU 83 HD1 LEU 83 -12.080 -0.821 -5.583 591 3HD1 LEU 83 HD1 LEU 83 -13.075 -2.223 -5.079 592 1HD2 LEU 83 HD2 LEU 83 -12.184 -2.010 -2.783 593 2HD2 LEU 83 HD2 LEU 83 -11.175 -0.620 -3.285 594 3HD2 LEU 83 HD2 LEU 83 -10.410 -2.037 -2.521 595 H ASN 84 HN ASN 84 -7.725 -6.007 -4.000 596 HA ASN 84 HA ASN 84 -9.405 -8.476 -3.849 597 1HB ASN 84 HB2 ASN 84 -6.966 -7.743 -5.511 598 2HB ASN 84 HB1 ASN 84 -7.518 -9.374 -5.380 599 1HD2 ASN 84 HD2 ASN 84 -8.959 -9.894 -7.112 600 2HD2 ASN 84 HD2 ASN 84 -9.933 -8.734 -7.899 601 H ILE 85 HN ILE 85 -8.173 -7.112 -1.539 602 HA ILE 85 HA ILE 85 -6.603 -9.396 -0.550 603 HB ILE 85 HB ILE 85 -4.922 -7.818 0.414 604 1HG1 ILE 85 HG1 ILE 85 -6.390 -5.745 0.420 605 2HG1 ILE 85 HG1 ILE 85 -4.816 -5.463 -0.226 606 1HG2 ILE 85 HG2 ILE 85 -5.192 -7.665 -2.592 607 2HG2 ILE 85 HG2 ILE 85 -4.439 -8.973 -1.637 608 3HG2 ILE 85 HG2 ILE 85 -3.704 -7.342 -1.655 609 1HD1 ILE 85 HD1 ILE 85 -6.354 -4.226 -1.476 610 2HD1 ILE 85 HD1 ILE 85 -7.341 -5.639 -1.873 611 3HD1 ILE 85 HD1 ILE 85 -5.673 -5.505 -2.532 612 H ASP 86 HN ASP 86 -6.643 -9.589 1.771 613 HA ASP 86 HA ASP 86 -8.665 -7.864 3.098 614 1HB ASP 86 HB2 ASP 86 -8.266 -10.858 3.163 615 2HB ASP 86 HB1 ASP 86 -9.115 -10.005 4.430 616 H CYS 87 HN CYS 87 -7.374 -6.567 4.222 617 HA CYS 87 HA CYS 87 -4.909 -7.198 5.468 618 1HB CYS 87 HB2 CYS 87 -7.000 -5.093 6.045 619 2HB CYS 87 HB1 CYS 87 -5.490 -5.132 6.910 620 H SER 88 HN SER 88 -8.086 -6.987 6.964 621 HA SER 88 HA SER 88 -8.026 -9.206 8.670 622 1HB SER 88 HB2 SER 88 -6.118 -8.484 9.937 623 2HB SER 88 HB1 SER 88 -6.598 -6.801 9.862 624 HG SER 88 HG SER 88 -8.419 -8.473 11.137 625 H ARG 89 HN ARG 89 -8.593 -5.714 9.094 626 HA ARG 89 HA ARG 89 -11.478 -6.129 8.931 627 1HB ARG 89 HB2 ARG 89 -10.624 -6.661 11.404 628 2HB ARG 89 HB1 ARG 89 -10.409 -4.917 11.528 629 1HG ARG 89 HG2 ARG 89 -12.769 -4.522 11.023 630 2HG ARG 89 HG1 ARG 89 -13.019 -6.250 10.797 631 1HD ARG 89 HD2 ARG 89 -12.159 -6.555 13.240 632 2HD ARG 89 HD1 ARG 89 -12.155 -4.809 13.380 633 HE ARG 89 HE ARG 89 -14.292 -5.758 14.274 634 1HH1 ARG 89 HH2 ARG 89 -14.568 -7.352 11.712 635 2HH1 ARG 89 HH2 ARG 89 -15.939 -6.626 10.963 636 1HH2 ARG 89 HH1 ARG 89 -15.649 -3.808 13.140 637 2HH2 ARG 89 HH1 ARG 89 -16.615 -4.444 11.873 638 H VAL 90 HN VAL 90 -9.659 -4.734 7.350 639 HA VAL 90 HA VAL 90 -9.647 -1.911 8.095 640 HB VAL 90 HB VAL 90 -7.845 -2.860 6.604 641 1HG1 VAL 90 HG1 VAL 90 -9.238 -4.606 5.494 642 2HG1 VAL 90 HG1 VAL 90 -8.358 -3.566 4.333 643 3HG1 VAL 90 HG1 VAL 90 -10.104 -3.300 4.651 644 1HG2 VAL 90 HG2 VAL 90 -8.453 -0.533 6.370 645 2HG2 VAL 90 HG2 VAL 90 -9.696 -0.971 5.160 646 3HG2 VAL 90 HG2 VAL 90 -7.983 -1.224 4.777 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 -2.433 5.794 15.865 2 2H ILE 1 HT2 ILE 1 -2.380 4.373 14.926 3 3H ILE 1 HT3 ILE 1 -3.781 5.332 14.930 4 HA ILE 1 HA ILE 1 -1.720 6.997 14.155 5 HB ILE 1 HB ILE 1 -0.547 4.815 13.592 6 1HG1 ILE 1 HG1 ILE 1 -1.370 6.017 10.930 7 2HG1 ILE 1 HG1 ILE 1 -0.326 6.894 12.039 8 1HG2 ILE 1 HG2 ILE 1 -2.482 3.381 13.278 9 2HG2 ILE 1 HG2 ILE 1 -1.460 3.358 11.828 10 3HG2 ILE 1 HG2 ILE 1 -2.946 4.357 11.847 11 1HD1 ILE 1 HD1 ILE 1 1.041 5.594 10.423 12 2HD1 ILE 1 HD1 ILE 1 0.256 4.067 10.933 13 3HD1 ILE 1 HD1 ILE 1 1.280 4.973 12.073 14 H ASP 2 HN ASP 2 -2.503 8.114 12.203 15 HA ASP 2 HA ASP 2 -5.350 7.550 11.508 16 1HB ASP 2 HB2 ASP 2 -5.463 10.219 11.633 17 2HB ASP 2 HB1 ASP 2 -5.583 9.290 13.119 18 H CYS 3 HN CYS 3 -3.168 6.820 10.006 19 HA CYS 3 HA CYS 3 -2.188 6.992 7.865 20 1HB CYS 3 HB2 CYS 3 -4.701 6.717 7.350 21 2HB CYS 3 HB1 CYS 3 -4.726 8.451 7.084 22 H GLY 4 HN GLY 4 -1.537 9.101 9.663 23 1HA GLY 4 HA2 GLY 4 -1.526 11.617 8.139 24 2HA GLY 4 HA1 GLY 4 -0.756 11.364 9.708 25 H HIS 5 HN HIS 5 0.606 8.935 8.756 26 HA HIS 5 HA HIS 5 2.685 10.228 7.015 27 1HB HIS 5 HB2 HIS 5 3.340 9.535 9.448 28 2HB HIS 5 HB1 HIS 5 3.290 7.877 8.852 29 HD1 HIS 5 HD1 HIS 5 4.426 8.827 5.952 30 HD2 HIS 5 HD2 HIS 5 6.150 9.502 9.578 31 HE1 HIS 5 HE1 HIS 5 6.820 9.213 5.513 32 H VAL 6 HN VAL 6 0.907 7.254 7.644 33 HA VAL 6 HA VAL 6 2.140 5.605 5.701 34 HB VAL 6 HB VAL 6 -0.833 5.590 6.367 35 1HG1 VAL 6 HG1 VAL 6 -0.594 3.207 5.699 36 2HG1 VAL 6 HG1 VAL 6 1.115 3.550 5.304 37 3HG1 VAL 6 HG1 VAL 6 -0.208 4.330 4.376 38 1HG2 VAL 6 HG2 VAL 6 0.515 5.458 8.412 39 2HG2 VAL 6 HG2 VAL 6 1.476 4.129 7.697 40 3HG2 VAL 6 HG2 VAL 6 -0.269 3.901 8.046 41 H ASP 7 HN ASP 7 -0.481 7.951 5.322 42 HA ASP 7 HA ASP 7 -1.260 7.478 2.670 43 1HB ASP 7 HB2 ASP 7 -2.481 9.262 3.731 44 2HB ASP 7 HB1 ASP 7 -1.024 10.104 4.200 45 H SER 8 HN SER 8 1.484 9.352 3.786 46 HA SER 8 HA SER 8 2.338 9.991 1.062 47 1HB SER 8 HB2 SER 8 2.702 11.496 3.094 48 2HB SER 8 HB1 SER 8 3.947 10.353 3.631 49 HG SER 8 HG SER 8 3.899 12.021 1.386 50 H LEU 9 HN LEU 9 2.932 7.300 3.258 51 HA LEU 9 HA LEU 9 5.409 6.551 2.017 52 1HB LEU 9 HB2 LEU 9 3.420 5.359 3.967 53 2HB LEU 9 HB1 LEU 9 4.812 4.503 3.447 54 HG LEU 9 HG LEU 9 4.789 7.179 4.910 55 1HD1 LEU 9 HD1 LEU 9 5.810 6.012 6.787 56 2HD1 LEU 9 HD1 LEU 9 5.723 4.469 5.894 57 3HD1 LEU 9 HD1 LEU 9 4.219 5.309 6.392 58 1HD2 LEU 9 HD2 LEU 9 7.140 5.496 4.072 59 2HD2 LEU 9 HD2 LEU 9 7.228 6.916 5.147 60 3HD2 LEU 9 HD2 LEU 9 6.715 7.128 3.453 61 H VAL 10 HN VAL 10 2.044 5.688 1.734 62 HA VAL 10 HA VAL 10 2.538 3.536 -0.224 63 HB VAL 10 HB VAL 10 0.047 3.502 -0.421 64 1HG1 VAL 10 HG1 VAL 10 1.117 2.170 1.356 65 2HG1 VAL 10 HG1 VAL 10 -0.443 2.829 1.941 66 3HG1 VAL 10 HG1 VAL 10 1.084 3.602 2.434 67 1HG2 VAL 10 HG2 VAL 10 0.056 5.759 1.567 68 2HG2 VAL 10 HG2 VAL 10 -1.357 4.825 1.002 69 3HG2 VAL 10 HG2 VAL 10 -0.437 5.831 -0.151 70 H ARG 11 HN ARG 11 1.887 6.881 -0.295 71 HA ARG 11 HA ARG 11 0.681 7.260 -2.795 72 1HB ARG 11 HB2 ARG 11 1.873 8.933 -0.802 73 2HB ARG 11 HB1 ARG 11 2.782 9.278 -2.249 74 1HG ARG 11 HG2 ARG 11 1.032 10.851 -2.220 75 2HG ARG 11 HG1 ARG 11 0.593 9.686 -3.463 76 1HD ARG 11 HD2 ARG 11 -0.934 8.543 -1.908 77 2HD ARG 11 HD1 ARG 11 -0.429 9.532 -0.566 78 HE ARG 11 HE ARG 11 -1.324 11.518 -2.074 79 1HH1 ARG 11 HH1 ARG 11 -3.196 10.320 -0.338 80 2HH1 ARG 11 HH1 ARG 11 -4.558 9.908 -1.298 81 1HH2 ARG 11 HH2 ARG 11 -2.455 10.003 -4.216 82 2HH2 ARG 11 HH2 ARG 11 -4.045 9.570 -3.704 83 HA PRO 12 HA PRO 12 5.000 7.575 -4.884 84 1HB PRO 12 HB2 PRO 12 7.032 6.111 -3.701 85 2HB PRO 12 HB1 PRO 12 6.739 7.818 -3.351 86 1HG PRO 12 HG2 PRO 12 5.686 5.343 -1.858 87 2HG PRO 12 HG1 PRO 12 6.547 6.723 -1.169 88 1HD PRO 12 HD2 PRO 12 3.932 6.734 -1.023 89 2HD PRO 12 HD1 PRO 12 4.705 8.225 -1.559 90 H CYS 13 HN CYS 13 3.861 4.396 -3.419 91 HA CYS 13 HA CYS 13 5.025 2.962 -5.569 92 1HB CYS 13 HB2 CYS 13 3.009 2.387 -3.424 93 2HB CYS 13 HB1 CYS 13 3.529 1.338 -4.630 94 H LEU 14 HN LEU 14 2.125 4.763 -5.109 95 HA LEU 14 HA LEU 14 0.443 3.412 -6.983 96 1HB LEU 14 HB2 LEU 14 0.497 6.178 -5.813 97 2HB LEU 14 HB1 LEU 14 -0.398 5.972 -7.293 98 HG LEU 14 HG LEU 14 -1.500 3.928 -6.099 99 1HD1 LEU 14 HD1 LEU 14 -0.609 5.599 -3.724 100 2HD1 LEU 14 HD1 LEU 14 -0.054 3.945 -4.111 101 3HD1 LEU 14 HD1 LEU 14 -1.764 4.231 -3.679 102 1HD2 LEU 14 HD2 LEU 14 -3.207 5.386 -5.327 103 2HD2 LEU 14 HD2 LEU 14 -2.562 5.954 -6.882 104 3HD2 LEU 14 HD2 LEU 14 -2.077 6.784 -5.366 105 H SER 15 HN SER 15 2.979 5.779 -7.431 106 HA SER 15 HA SER 15 2.422 6.672 -10.034 107 1HB SER 15 HB2 SER 15 5.116 6.127 -8.673 108 2HB SER 15 HB1 SER 15 4.912 7.070 -10.168 109 HG SER 15 HG SER 15 3.981 8.592 -9.038 110 H TYR 16 HN TYR 16 3.413 3.530 -9.059 111 HA TYR 16 HA TYR 16 4.104 2.749 -11.854 112 1HB TYR 16 HB2 TYR 16 5.565 1.858 -10.139 113 2HB TYR 16 HB1 TYR 16 4.232 1.287 -9.193 114 HD1 TYR 16 HD1 TYR 16 4.681 -1.046 -9.144 115 HD2 TYR 16 HD2 TYR 16 4.605 0.888 -12.934 116 HE1 TYR 16 HE1 TYR 16 4.705 -3.197 -10.250 117 HE2 TYR 16 HE2 TYR 16 4.636 -1.282 -14.037 118 HH TYR 16 HH TYR 16 3.851 -3.675 -13.412 119 H VAL 17 HN VAL 17 1.984 1.967 -9.268 120 HA VAL 17 HA VAL 17 0.315 0.008 -10.451 121 HB VAL 17 HB VAL 17 -0.693 2.213 -8.616 122 1HG1 VAL 17 HG1 VAL 17 -1.599 -0.640 -9.066 123 2HG1 VAL 17 HG1 VAL 17 -2.478 0.822 -9.592 124 3HG1 VAL 17 HG1 VAL 17 -2.283 0.486 -7.848 125 1HG2 VAL 17 HG2 VAL 17 0.609 -0.436 -8.062 126 2HG2 VAL 17 HG2 VAL 17 -0.120 0.618 -6.796 127 3HG2 VAL 17 HG2 VAL 17 1.312 1.164 -7.709 128 H GLN 18 HN GLN 18 0.151 3.569 -10.992 129 HA GLN 18 HA GLN 18 -2.335 3.489 -12.282 130 1HB GLN 18 HB2 GLN 18 -1.500 5.617 -13.138 131 2HB GLN 18 HB1 GLN 18 -1.502 5.563 -11.405 132 1HG GLN 18 HG2 GLN 18 1.004 5.226 -11.509 133 2HG GLN 18 HG1 GLN 18 0.948 5.336 -13.255 134 1HE2 GLN 18 HE2 GLN 18 -1.396 7.513 -12.478 135 2HE2 GLN 18 HE2 GLN 18 -0.425 8.888 -12.256 136 H GLY 19 HN GLY 19 0.779 2.531 -13.328 137 1HA GLY 19 HA2 GLY 19 1.113 1.187 -15.286 138 2HA GLY 19 HA1 GLY 19 -0.307 1.856 -16.040 139 H GLY 20 HN GLY 20 2.433 3.462 -14.428 140 1HA GLY 20 HA2 GLY 20 3.394 4.552 -17.039 141 2HA GLY 20 HA1 GLY 20 3.063 5.638 -15.681 142 HA PRO 21 HA PRO 21 7.444 4.171 -15.336 143 1HB PRO 21 HB2 PRO 21 8.666 6.590 -15.125 144 2HB PRO 21 HB1 PRO 21 8.179 5.960 -16.705 145 1HG PRO 21 HG2 PRO 21 6.572 7.826 -14.860 146 2HG PRO 21 HG1 PRO 21 7.020 8.136 -16.541 147 1HD PRO 21 HD2 PRO 21 4.595 7.080 -15.967 148 2HD PRO 21 HD1 PRO 21 5.489 6.428 -17.361 149 H GLY 22 HN GLY 22 7.981 3.473 -13.271 150 1HA GLY 22 HA2 GLY 22 8.242 5.077 -11.009 151 2HA GLY 22 HA1 GLY 22 6.571 4.483 -11.014 152 HA PRO 23 HA PRO 23 6.155 3.927 -9.117 153 1HB PRO 23 HB2 PRO 23 6.676 3.267 -6.585 154 2HB PRO 23 HB1 PRO 23 5.712 2.220 -7.626 155 1HG PRO 23 HG2 PRO 23 8.657 1.965 -6.822 156 2HG PRO 23 HG1 PRO 23 7.437 0.723 -6.969 157 1HD PRO 23 HD2 PRO 23 9.267 1.258 -9.029 158 2HD PRO 23 HD1 PRO 23 7.640 0.593 -9.324 159 H SER 24 HN SER 24 9.200 3.561 -7.369 160 HA SER 24 HA SER 24 10.454 6.045 -7.867 161 1HB SER 24 HB2 SER 24 9.779 7.323 -5.755 162 2HB SER 24 HB1 SER 24 8.382 7.126 -6.826 163 HG SER 24 HG SER 24 7.724 5.414 -5.699 164 H GLY 25 HN GLY 25 12.133 6.536 -6.307 165 1HA GLY 25 HA2 GLY 25 13.314 4.079 -5.258 166 2HA GLY 25 HA1 GLY 25 13.980 5.709 -5.052 167 H GLN 26 HN GLN 26 10.912 6.136 -4.184 168 HA GLN 26 HA GLN 26 11.560 5.600 -1.293 169 1HB GLN 26 HB2 GLN 26 9.777 7.638 -2.747 170 2HB GLN 26 HB1 GLN 26 9.292 7.147 -1.137 171 1HG GLN 26 HG2 GLN 26 12.088 8.203 -1.757 172 2HG GLN 26 HG1 GLN 26 10.778 9.186 -1.097 173 1HE2 GLN 26 HE2 GLN 26 13.418 7.377 -0.057 174 2HE2 GLN 26 HE2 GLN 26 12.815 6.894 1.455 175 H CYS 27 HN CYS 27 9.573 4.430 -3.840 176 HA CYS 27 HA CYS 27 7.364 3.468 -2.314 177 1HB CYS 27 HB2 CYS 27 7.404 3.395 -4.731 178 2HB CYS 27 HB1 CYS 27 8.783 2.315 -4.733 179 H CYS 28 HN CYS 28 10.583 2.094 -2.844 180 HA CYS 28 HA CYS 28 9.881 -0.258 -1.210 181 1HB CYS 28 HB2 CYS 28 12.430 0.713 -2.555 182 2HB CYS 28 HB1 CYS 28 12.473 -0.637 -1.437 183 H ASP 29 HN ASP 29 12.291 2.310 -0.713 184 HA ASP 29 HA ASP 29 12.835 1.728 1.979 185 1HB ASP 29 HB2 ASP 29 13.945 3.584 0.317 186 2HB ASP 29 HB1 ASP 29 12.566 4.488 0.755 187 H GLY 30 HN GLY 30 10.456 3.858 0.608 188 1HA GLY 30 HA2 GLY 30 9.371 4.878 3.023 189 2HA GLY 30 HA1 GLY 30 8.561 4.869 1.470 190 H VAL 31 HN VAL 31 8.132 2.258 0.932 191 HA VAL 31 HA VAL 31 6.035 1.664 2.865 192 HB VAL 31 HB VAL 31 6.972 0.162 0.362 193 1HG1 VAL 31 HG1 VAL 31 4.654 -0.645 0.291 194 2HG1 VAL 31 HG1 VAL 31 4.297 0.196 1.832 195 3HG1 VAL 31 HG1 VAL 31 5.477 -1.140 1.800 196 1HG2 VAL 31 HG2 VAL 31 5.155 1.398 -0.725 197 2HG2 VAL 31 HG2 VAL 31 6.354 2.541 -0.059 198 3HG2 VAL 31 HG2 VAL 31 4.813 2.268 0.801 199 H LYS 32 HN LYS 32 9.253 0.261 2.194 200 HA LYS 32 HA LYS 32 9.043 -2.133 3.642 201 1HB LYS 32 HB2 LYS 32 10.948 -1.364 2.124 202 2HB LYS 32 HB1 LYS 32 11.374 -0.173 3.331 203 1HG LYS 32 HG2 LYS 32 11.871 -2.047 4.916 204 2HG LYS 32 HG1 LYS 32 11.545 -3.181 3.613 205 1HD LYS 32 HD2 LYS 32 13.314 -1.911 2.198 206 2HD LYS 32 HD1 LYS 32 13.624 -0.908 3.593 207 1HE LYS 32 HE2 LYS 32 15.360 -2.561 3.511 208 2HE LYS 32 HE1 LYS 32 14.340 -2.930 4.894 209 1HZ LYS 32 HZ1 LYS 32 13.327 -4.248 2.575 210 2HZ LYS 32 HZ2 LYS 32 13.895 -4.923 4.017 211 3HZ LYS 32 HZ3 LYS 32 14.969 -4.602 2.743 212 H ASN 33 HN ASN 33 9.821 1.186 4.555 213 HA ASN 33 HA ASN 33 10.211 0.662 7.368 214 1HB ASN 33 HB2 ASN 33 9.708 3.138 5.679 215 2HB ASN 33 HB1 ASN 33 9.353 3.275 7.391 216 1HD2 ASN 33 HD2 ASN 33 11.837 3.181 5.078 217 2HD2 ASN 33 HD2 ASN 33 13.148 3.258 6.162 218 H LEU 34 HN LEU 34 7.426 1.805 5.555 219 HA LEU 34 HA LEU 34 5.564 2.124 7.596 220 1HB LEU 34 HB2 LEU 34 5.160 2.598 5.144 221 2HB LEU 34 HB1 LEU 34 5.126 0.896 4.822 222 HG LEU 34 HG LEU 34 3.016 2.434 6.386 223 1HD1 LEU 34 HD1 LEU 34 1.592 1.758 4.456 224 2HD1 LEU 34 HD1 LEU 34 3.027 1.024 3.704 225 3HD1 LEU 34 HD1 LEU 34 2.987 2.790 3.994 226 1HD2 LEU 34 HD2 LEU 34 3.049 0.188 7.329 227 2HD2 LEU 34 HD2 LEU 34 3.065 -0.504 5.664 228 3HD2 LEU 34 HD2 LEU 34 1.647 0.407 6.279 229 H HIS 35 HN HIS 35 5.923 -0.803 5.688 230 HA HIS 35 HA HIS 35 4.232 -2.508 7.118 231 1HB HIS 35 HB2 HIS 35 5.576 -2.890 4.929 232 2HB HIS 35 HB1 HIS 35 6.910 -3.414 5.928 233 HD1 HIS 35 HD1 HIS 35 6.350 -5.828 4.618 234 HD2 HIS 35 HD2 HIS 35 3.583 -4.605 7.360 235 HE1 HIS 35 HE1 HIS 35 4.987 -7.782 5.141 236 H ASN 36 HN ASN 36 7.706 -2.122 7.646 237 HA ASN 36 HA ASN 36 7.982 -3.809 9.895 238 1HB ASN 36 HB2 ASN 36 9.924 -2.555 8.577 239 2HB ASN 36 HB1 ASN 36 9.472 -1.171 9.537 240 1HD2 ASN 36 HD2 ASN 36 11.027 -0.981 11.197 241 2HD2 ASN 36 HD2 ASN 36 11.517 -2.297 12.162 242 H GLN 37 HN GLN 37 7.050 -0.420 9.703 243 HA GLN 37 HA GLN 37 6.992 0.076 12.507 244 1HB GLN 37 HB2 GLN 37 7.147 1.650 10.437 245 2HB GLN 37 HB1 GLN 37 5.419 1.425 10.272 246 1HG GLN 37 HG2 GLN 37 5.777 3.459 11.414 247 2HG GLN 37 HG1 GLN 37 5.164 2.299 12.596 248 1HE2 GLN 37 HE2 GLN 37 6.280 2.700 14.504 249 2HE2 GLN 37 HE2 GLN 37 7.959 2.963 14.619 250 H ALA 38 HN ALA 38 4.477 -0.715 10.195 251 HA ALA 38 HA ALA 38 2.371 -0.853 12.207 252 1HB ALA 38 HB1 ALA 38 1.005 -1.712 10.286 253 2HB ALA 38 HB2 ALA 38 2.520 -1.871 9.356 254 3HB ALA 38 HB3 ALA 38 1.940 -0.251 9.838 255 H ARG 39 HN ARG 39 3.695 -2.363 13.574 256 HA ARG 39 HA ARG 39 3.568 -5.194 12.625 257 1HB ARG 39 HB2 ARG 39 5.478 -4.008 14.021 258 2HB ARG 39 HB1 ARG 39 4.543 -4.541 15.397 259 1HG ARG 39 HG2 ARG 39 4.465 -6.828 13.721 260 2HG ARG 39 HG1 ARG 39 6.080 -6.224 13.487 261 1HD ARG 39 HD2 ARG 39 5.826 -7.989 15.275 262 2HD ARG 39 HD1 ARG 39 6.627 -6.530 15.830 263 HE ARG 39 HE ARG 39 3.680 -6.663 16.246 264 1HH1 ARG 39 HH2 ARG 39 5.857 -5.041 17.562 265 2HH1 ARG 39 HH2 ARG 39 6.055 -5.730 19.139 266 1HH2 ARG 39 HH1 ARG 39 4.172 -8.578 18.095 267 2HH2 ARG 39 HH1 ARG 39 4.998 -7.933 19.470 268 H SER 40 HN SER 40 1.557 -3.222 14.081 269 HA SER 40 HA SER 40 0.337 -5.376 15.794 270 1HB SER 40 HB2 SER 40 -0.113 -2.348 15.955 271 2HB SER 40 HB1 SER 40 -0.746 -3.541 17.104 272 HG SER 40 HG SER 40 1.148 -3.378 18.045 273 H GLN 41 HN GLN 41 -2.135 -5.633 15.672 274 HA GLN 41 HA GLN 41 -3.003 -5.539 12.991 275 1HB GLN 41 HB2 GLN 41 -4.335 -6.113 15.665 276 2HB GLN 41 HB1 GLN 41 -5.143 -6.211 14.136 277 1HG GLN 41 HG2 GLN 41 -3.326 -7.832 13.338 278 2HG GLN 41 HG1 GLN 41 -2.712 -7.824 14.987 279 1HE2 GLN 41 HE2 GLN 41 -4.796 -9.562 12.997 280 2HE2 GLN 41 HE2 GLN 41 -5.769 -10.223 14.230 281 H SER 42 HN SER 42 -2.979 -3.141 15.327 282 HA SER 42 HA SER 42 -5.356 -1.753 14.258 283 1HB SER 42 HB2 SER 42 -4.727 -1.651 16.744 284 2HB SER 42 HB1 SER 42 -3.292 -0.725 16.279 285 HG SER 42 HG SER 42 -5.287 0.392 15.000 286 H ASP 43 HN ASP 43 -1.863 -1.731 13.829 287 HA ASP 43 HA ASP 43 -1.921 0.879 12.499 288 1HB ASP 43 HB2 ASP 43 0.159 -0.473 13.755 289 2HB ASP 43 HB1 ASP 43 0.394 -0.972 12.097 290 H ARG 44 HN ARG 44 -2.378 -2.366 11.651 291 HA ARG 44 HA ARG 44 -1.890 -2.041 8.780 292 1HB ARG 44 HB2 ARG 44 -3.211 -4.230 10.425 293 2HB ARG 44 HB1 ARG 44 -3.087 -4.296 8.679 294 1HG ARG 44 HG2 ARG 44 -0.616 -4.151 8.798 295 2HG ARG 44 HG1 ARG 44 -0.698 -3.932 10.543 296 1HD ARG 44 HD2 ARG 44 -1.337 -6.092 10.968 297 2HD ARG 44 HD1 ARG 44 -2.162 -6.271 9.455 298 HE ARG 44 HE ARG 44 0.020 -6.615 8.329 299 1HH1 ARG 44 HH1 ARG 44 -0.453 -8.354 10.710 300 2HH1 ARG 44 HH1 ARG 44 1.129 -8.539 11.410 301 1HH2 ARG 44 HH2 ARG 44 2.152 -5.569 9.635 302 2HH2 ARG 44 HH2 ARG 44 2.706 -6.719 10.786 303 H GLN 45 HN GLN 45 -4.838 -2.250 10.877 304 HA GLN 45 HA GLN 45 -6.683 -1.991 8.795 305 1HB GLN 45 HB2 GLN 45 -6.524 -1.409 11.760 306 2HB GLN 45 HB1 GLN 45 -7.985 -1.139 10.860 307 1HG GLN 45 HG2 GLN 45 -7.920 -3.495 10.044 308 2HG GLN 45 HG1 GLN 45 -6.435 -3.789 10.935 309 1HE2 GLN 45 HE2 GLN 45 -6.764 -4.665 12.949 310 2HE2 GLN 45 HE2 GLN 45 -8.233 -4.579 13.803 311 H SER 46 HN SER 46 -4.874 0.435 10.628 312 HA SER 46 HA SER 46 -6.313 2.659 9.426 313 1HB SER 46 HB2 SER 46 -3.560 2.568 10.750 314 2HB SER 46 HB1 SER 46 -4.545 4.021 10.469 315 HG SER 46 HG SER 46 -5.507 3.482 12.285 316 H ALA 47 HN ALA 47 -2.992 1.378 8.822 317 HA ALA 47 HA ALA 47 -2.438 2.983 6.547 318 1HB ALA 47 HB1 ALA 47 -0.862 1.096 5.925 319 2HB ALA 47 HB2 ALA 47 -1.713 0.097 7.133 320 3HB ALA 47 HB3 ALA 47 -0.741 1.497 7.673 321 H CYS 48 HN CYS 48 -4.239 -0.060 6.759 322 HA CYS 48 HA CYS 48 -4.519 -0.594 4.020 323 1HB CYS 48 HB2 CYS 48 -5.303 -2.081 5.803 324 2HB CYS 48 HB1 CYS 48 -6.520 -0.917 6.264 325 H ASN 49 HN ASN 49 -6.596 1.360 6.120 326 HA ASN 49 HA ASN 49 -8.449 2.242 4.200 327 1HB ASN 49 HB2 ASN 49 -7.363 3.583 6.700 328 2HB ASN 49 HB1 ASN 49 -8.491 4.451 5.675 329 1HD2 ASN 49 HD2 ASN 49 -9.370 4.002 8.173 330 2HD2 ASN 49 HD2 ASN 49 -10.522 2.754 8.228 331 H CYS 50 HN CYS 50 -5.249 3.485 4.859 332 HA CYS 50 HA CYS 50 -5.327 5.841 3.272 333 1HB CYS 50 HB2 CYS 50 -2.992 3.884 3.533 334 2HB CYS 50 HB1 CYS 50 -2.862 5.530 3.053 335 H LEU 51 HN LEU 51 -4.148 2.698 2.297 336 HA LEU 51 HA LEU 51 -3.960 3.244 -0.517 337 1HB LEU 51 HB2 LEU 51 -4.379 0.644 0.979 338 2HB LEU 51 HB1 LEU 51 -4.093 0.684 -0.739 339 HG LEU 51 HG LEU 51 -2.155 2.041 1.155 340 1HD1 LEU 51 HD1 LEU 51 -0.862 -0.078 1.184 341 2HD1 LEU 51 HD1 LEU 51 -2.219 -0.870 0.326 342 3HD1 LEU 51 HD1 LEU 51 -2.466 -0.200 1.966 343 1HD2 LEU 51 HD2 LEU 51 -1.950 0.671 -1.547 344 2HD2 LEU 51 HD2 LEU 51 -0.596 1.468 -0.690 345 3HD2 LEU 51 HD2 LEU 51 -1.982 2.438 -1.271 346 H LYS 52 HN LYS 52 -6.474 1.506 1.275 347 HA LYS 52 HA LYS 52 -8.223 0.983 -0.866 348 1HB LYS 52 HB2 LYS 52 -8.853 1.583 2.073 349 2HB LYS 52 HB1 LYS 52 -10.063 1.025 0.933 350 1HG LYS 52 HG2 LYS 52 -8.572 -1.039 0.524 351 2HG LYS 52 HG1 LYS 52 -7.503 -0.444 1.770 352 1HD LYS 52 HD2 LYS 52 -8.913 -2.073 2.821 353 2HD LYS 52 HD1 LYS 52 -9.411 -0.497 3.413 354 1HE LYS 52 HE2 LYS 52 -11.302 -0.609 1.665 355 2HE LYS 52 HE1 LYS 52 -10.798 -2.260 1.323 356 1HZ LYS 52 HZ1 LYS 52 -11.913 -2.980 3.116 357 2HZ LYS 52 HZ2 LYS 52 -12.503 -1.406 3.348 358 3HZ LYS 52 HZ3 LYS 52 -11.075 -1.913 4.123 359 H GLY 53 HN GLY 53 -8.319 3.769 1.353 360 1HA GLY 53 HA2 GLY 53 -10.452 5.164 0.154 361 2HA GLY 53 HA1 GLY 53 -9.137 5.920 1.067 362 H ILE 54 HN ILE 54 -6.994 5.194 -0.539 363 HA ILE 54 HA ILE 54 -7.141 7.202 -2.580 364 HB ILE 54 HB ILE 54 -5.149 5.054 -1.762 365 1HG1 ILE 54 HG1 ILE 54 -5.056 8.085 -1.707 366 2HG1 ILE 54 HG1 ILE 54 -5.520 7.096 -0.346 367 1HG2 ILE 54 HG2 ILE 54 -4.762 7.061 -3.996 368 2HG2 ILE 54 HG2 ILE 54 -4.942 5.289 -4.177 369 3HG2 ILE 54 HG2 ILE 54 -3.528 5.955 -3.312 370 1HD1 ILE 54 HD1 ILE 54 -3.142 7.782 -0.126 371 2HD1 ILE 54 HD1 ILE 54 -2.769 6.989 -1.680 372 3HD1 ILE 54 HD1 ILE 54 -3.301 6.011 -0.279 373 H ALA 55 HN ALA 55 -6.617 3.753 -2.990 374 HA ALA 55 HA ALA 55 -6.825 3.530 -5.731 375 1HB ALA 55 HB1 ALA 55 -7.612 1.196 -5.342 376 2HB ALA 55 HB2 ALA 55 -8.015 1.642 -3.655 377 3HB ALA 55 HB3 ALA 55 -6.315 1.661 -4.201 378 H ARG 56 HN ARG 56 -9.483 3.477 -3.398 379 HA ARG 56 HA ARG 56 -11.641 3.100 -5.144 380 1HB ARG 56 HB2 ARG 56 -11.614 3.023 -2.654 381 2HB ARG 56 HB1 ARG 56 -11.408 4.759 -2.610 382 1HG ARG 56 HG2 ARG 56 -13.609 5.056 -3.714 383 2HG ARG 56 HG1 ARG 56 -13.807 3.313 -3.798 384 1HD ARG 56 HD2 ARG 56 -13.731 3.148 -1.324 385 2HD ARG 56 HD1 ARG 56 -13.369 4.870 -1.193 386 HE ARG 56 HE ARG 56 -15.625 5.272 -2.279 387 1HH1 ARG 56 HH1 ARG 56 -15.861 4.442 0.502 388 2HH1 ARG 56 HH1 ARG 56 -17.089 3.229 0.482 389 1HH2 ARG 56 HH2 ARG 56 -16.598 2.807 -3.041 390 2HH2 ARG 56 HH2 ARG 56 -17.501 2.168 -1.722 391 H GLY 57 HN GLY 57 -9.804 5.988 -4.607 392 1HA GLY 57 HA2 GLY 57 -11.725 7.762 -5.914 393 2HA GLY 57 HA1 GLY 57 -10.079 8.195 -5.439 394 H ILE 58 HN ILE 58 -9.269 5.616 -6.989 395 HA ILE 58 HA ILE 58 -8.817 7.045 -9.527 396 HB ILE 58 HB ILE 58 -8.091 4.131 -8.886 397 1HG1 ILE 58 HG1 ILE 58 -6.378 6.611 -8.265 398 2HG1 ILE 58 HG1 ILE 58 -7.223 5.667 -7.061 399 1HG2 ILE 58 HG2 ILE 58 -7.834 4.760 -11.222 400 2HG2 ILE 58 HG2 ILE 58 -6.226 4.579 -10.499 401 3HG2 ILE 58 HG2 ILE 58 -6.891 6.217 -10.744 402 1HD1 ILE 58 HD1 ILE 58 -5.903 3.648 -7.633 403 2HD1 ILE 58 HD1 ILE 58 -4.870 5.015 -7.124 404 3HD1 ILE 58 HD1 ILE 58 -4.996 4.591 -8.852 405 H HIS 59 HN HIS 59 -9.356 5.891 -11.603 406 HA HIS 59 HA HIS 59 -12.121 4.798 -11.397 407 1HB HIS 59 HB2 HIS 59 -11.690 6.699 -12.996 408 2HB HIS 59 HB1 HIS 59 -10.615 5.669 -13.922 409 HD1 HIS 59 HD1 HIS 59 -12.730 3.138 -13.541 410 HD2 HIS 59 HD2 HIS 59 -13.498 6.826 -15.143 411 HE1 HIS 59 HE1 HIS 59 -14.692 2.876 -15.007 412 H ASN 60 HN ASN 60 -9.212 4.065 -13.352 413 HA ASN 60 HA ASN 60 -9.776 1.155 -12.988 414 1HB ASN 60 HB2 ASN 60 -10.700 1.992 -15.224 415 2HB ASN 60 HB1 ASN 60 -9.054 2.451 -15.641 416 1HD2 ASN 60 HD2 ASN 60 -11.268 -0.107 -15.868 417 2HD2 ASN 60 HD2 ASN 60 -10.147 -1.341 -16.206 418 H LEU 61 HN LEU 61 -7.916 1.564 -11.397 419 HA LEU 61 HA LEU 61 -5.378 2.298 -12.354 420 1HB LEU 61 HB2 LEU 61 -4.805 1.577 -10.088 421 2HB LEU 61 HB1 LEU 61 -6.196 2.591 -10.043 422 HG LEU 61 HG LEU 61 -7.455 0.259 -10.251 423 1HD1 LEU 61 HD1 LEU 61 -6.490 -1.476 -8.839 424 2HD1 LEU 61 HD1 LEU 61 -4.946 -0.568 -8.828 425 3HD1 LEU 61 HD1 LEU 61 -5.598 -1.238 -10.357 426 1HD2 LEU 61 HD2 LEU 61 -7.688 0.194 -7.774 427 2HD2 LEU 61 HD2 LEU 61 -7.798 1.847 -8.438 428 3HD2 LEU 61 HD2 LEU 61 -6.286 1.297 -7.650 429 H ASN 62 HN ASN 62 -3.670 0.303 -11.411 430 HA ASN 62 HA ASN 62 -4.367 -2.015 -13.177 431 1HB ASN 62 HB2 ASN 62 -2.503 -0.442 -13.917 432 2HB ASN 62 HB1 ASN 62 -1.618 -0.968 -12.494 433 1HD2 ASN 62 HD2 ASN 62 -1.842 -1.539 -15.677 434 2HD2 ASN 62 HD2 ASN 62 -1.229 -3.115 -15.681 435 H GLU 63 HN GLU 63 -4.508 -3.918 -12.140 436 HA GLU 63 HA GLU 63 -3.736 -4.108 -9.303 437 1HB GLU 63 HB2 GLU 63 -5.878 -5.160 -10.510 438 2HB GLU 63 HB1 GLU 63 -4.765 -6.441 -10.968 439 1HG GLU 63 HG2 GLU 63 -4.153 -6.608 -8.460 440 2HG GLU 63 HG1 GLU 63 -5.530 -5.534 -8.196 441 H ASP 64 HN ASP 64 -2.629 -5.331 -12.415 442 HA ASP 64 HA ASP 64 -0.809 -7.309 -11.471 443 1HB ASP 64 HB2 ASP 64 -1.459 -6.957 -13.910 444 2HB ASP 64 HB1 ASP 64 -0.439 -5.524 -13.921 445 H ASN 65 HN ASN 65 -0.383 -3.897 -12.054 446 HA ASN 65 HA ASN 65 2.412 -3.801 -11.358 447 1HB ASN 65 HB2 ASN 65 0.276 -1.693 -11.630 448 2HB ASN 65 HB1 ASN 65 1.920 -1.273 -11.158 449 1HD2 ASN 65 HD2 ASN 65 1.404 -0.092 -13.447 450 2HD2 ASN 65 HD2 ASN 65 1.920 -0.979 -14.814 451 H ALA 66 HN ALA 66 -0.513 -2.831 -9.534 452 HA ALA 66 HA ALA 66 0.595 -2.088 -7.091 453 1HB ALA 66 HB1 ALA 66 -1.823 -1.975 -7.592 454 2HB ALA 66 HB2 ALA 66 -1.498 -2.839 -6.069 455 3HB ALA 66 HB3 ALA 66 -1.890 -3.761 -7.559 456 H ARG 67 HN ARG 67 -0.130 -5.409 -8.151 457 HA ARG 67 HA ARG 67 0.888 -6.561 -5.688 458 1HB ARG 67 HB2 ARG 67 -0.926 -7.594 -7.193 459 2HB ARG 67 HB1 ARG 67 0.332 -7.946 -8.355 460 1HG ARG 67 HG2 ARG 67 1.560 -9.252 -6.554 461 2HG ARG 67 HG1 ARG 67 0.199 -8.940 -5.484 462 1HD ARG 67 HD2 ARG 67 -1.330 -10.190 -6.983 463 2HD ARG 67 HD1 ARG 67 -0.060 -10.394 -8.175 464 HE ARG 67 HE ARG 67 -0.007 -11.769 -5.470 465 1HH1 ARG 67 HH2 ARG 67 -1.007 -13.087 -7.870 466 2HH1 ARG 67 HH2 ARG 67 0.339 -13.990 -8.454 467 1HH2 ARG 67 HH1 ARG 67 2.571 -12.052 -6.443 468 2HH2 ARG 67 HH1 ARG 67 2.523 -13.395 -7.528 469 H SER 68 HN SER 68 2.203 -5.549 -8.654 470 HA SER 68 HA SER 68 4.582 -7.231 -8.644 471 1HB SER 68 HB2 SER 68 3.710 -6.579 -10.776 472 2HB SER 68 HB1 SER 68 3.431 -4.950 -10.252 473 HG SER 68 HG SER 68 5.129 -4.791 -11.556 474 H ILE 69 HN ILE 69 3.736 -4.373 -7.002 475 HA ILE 69 HA ILE 69 6.303 -3.115 -6.713 476 HB ILE 69 HB ILE 69 3.769 -3.035 -4.963 477 1HG1 ILE 69 HG1 ILE 69 4.709 -0.890 -6.836 478 2HG1 ILE 69 HG1 ILE 69 3.716 -2.220 -7.404 479 1HG2 ILE 69 HG2 ILE 69 5.737 -2.351 -3.636 480 2HG2 ILE 69 HG2 ILE 69 4.666 -0.972 -4.001 481 3HG2 ILE 69 HG2 ILE 69 6.167 -1.224 -4.950 482 1HD1 ILE 69 HD1 ILE 69 1.990 -1.717 -5.709 483 2HD1 ILE 69 HD1 ILE 69 2.371 -0.264 -6.703 484 3HD1 ILE 69 HD1 ILE 69 2.987 -0.407 -5.040 485 HA PRO 70 HA PRO 70 6.789 -5.292 -2.487 486 1HB PRO 70 HB2 PRO 70 5.284 -7.595 -2.051 487 2HB PRO 70 HB1 PRO 70 4.881 -5.981 -1.443 488 1HG PRO 70 HG2 PRO 70 3.781 -7.418 -3.914 489 2HG PRO 70 HG1 PRO 70 2.955 -6.432 -2.737 490 1HD PRO 70 HD2 PRO 70 3.660 -5.337 -5.082 491 2HD PRO 70 HD1 PRO 70 3.715 -4.413 -3.567 492 HA PRO 71 HA PRO 71 8.216 -9.512 -4.259 493 1HB PRO 71 HB2 PRO 71 7.926 -9.953 -6.967 494 2HB PRO 71 HB1 PRO 71 6.715 -10.457 -5.786 495 1HG PRO 71 HG2 PRO 71 6.764 -7.872 -7.447 496 2HG PRO 71 HG1 PRO 71 5.440 -9.009 -7.242 497 1HD PRO 71 HD2 PRO 71 5.466 -6.842 -5.689 498 2HD PRO 71 HD1 PRO 71 5.046 -8.421 -4.993 499 H LYS 72 HN LYS 72 8.396 -7.081 -6.878 500 HA LYS 72 HA LYS 72 11.152 -7.505 -7.436 501 1HB LYS 72 HB2 LYS 72 11.082 -5.198 -8.400 502 2HB LYS 72 HB1 LYS 72 9.822 -6.255 -9.018 503 1HG LYS 72 HG2 LYS 72 8.394 -5.056 -7.084 504 2HG LYS 72 HG1 LYS 72 9.624 -3.831 -7.198 505 1HD LYS 72 HD2 LYS 72 8.174 -4.907 -9.684 506 2HD LYS 72 HD1 LYS 72 7.513 -3.585 -8.790 507 1HE LYS 72 HE2 LYS 72 10.393 -3.488 -9.810 508 2HE LYS 72 HE1 LYS 72 9.038 -3.054 -10.845 509 1HZ LYS 72 HZ1 LYS 72 9.084 -1.045 -9.895 510 2HZ LYS 72 HZ2 LYS 72 10.232 -1.547 -8.740 511 3HZ LYS 72 HZ3 LYS 72 8.595 -1.780 -8.430 512 H CYS 73 HN CYS 73 9.576 -5.353 -5.169 513 HA CYS 73 HA CYS 73 11.923 -3.958 -4.305 514 1HB CYS 73 HB2 CYS 73 9.473 -3.424 -4.066 515 2HB CYS 73 HB1 CYS 73 9.401 -4.607 -2.846 516 H GLY 74 HN GLY 74 10.150 -6.604 -2.672 517 1HA GLY 74 HA2 GLY 74 11.355 -8.522 -1.741 518 2HA GLY 74 HA1 GLY 74 12.740 -7.482 -1.455 519 H VAL 75 HN VAL 75 9.529 -6.377 -0.710 520 HA VAL 75 HA VAL 75 10.131 -6.676 2.188 521 HB VAL 75 HB VAL 75 8.929 -4.579 2.457 522 1HG1 VAL 75 HG1 VAL 75 11.269 -4.359 1.822 523 2HG1 VAL 75 HG1 VAL 75 10.304 -3.028 1.103 524 3HG1 VAL 75 HG1 VAL 75 10.822 -4.395 0.089 525 1HG2 VAL 75 HG2 VAL 75 8.008 -3.309 0.569 526 2HG2 VAL 75 HG2 VAL 75 7.182 -4.874 0.808 527 3HG2 VAL 75 HG2 VAL 75 8.380 -4.683 -0.509 528 H ASN 76 HN ASN 76 7.894 -7.323 -0.238 529 HA ASN 76 HA ASN 76 5.777 -8.291 -0.258 530 1HB ASN 76 HB2 ASN 76 7.479 -9.992 0.812 531 2HB ASN 76 HB1 ASN 76 6.505 -9.737 2.249 532 1HD2 ASN 76 HD2 ASN 76 4.377 -10.651 2.290 533 2HD2 ASN 76 HD2 ASN 76 3.682 -11.451 0.956 534 H LEU 77 HN LEU 77 4.303 -6.685 0.199 535 HA LEU 77 HA LEU 77 3.746 -6.009 3.021 536 1HB LEU 77 HB2 LEU 77 3.214 -4.656 0.426 537 2HB LEU 77 HB1 LEU 77 1.752 -4.784 1.327 538 HG LEU 77 HG LEU 77 2.903 -3.887 3.342 539 1HD1 LEU 77 HD1 LEU 77 5.191 -4.395 2.744 540 2HD1 LEU 77 HD1 LEU 77 4.975 -2.646 3.044 541 3HD1 LEU 77 HD1 LEU 77 5.091 -3.251 1.367 542 1HD2 LEU 77 HD2 LEU 77 2.909 -1.569 2.714 543 2HD2 LEU 77 HD2 LEU 77 1.508 -2.407 2.001 544 3HD2 LEU 77 HD2 LEU 77 2.924 -1.990 0.976 545 HA PRO 78 HA PRO 78 0.272 -8.691 3.116 546 1HB PRO 78 HB2 PRO 78 -1.146 -7.143 5.141 547 2HB PRO 78 HB1 PRO 78 -0.196 -8.609 5.359 548 1HG PRO 78 HG2 PRO 78 0.633 -6.140 6.338 549 2HG PRO 78 HG1 PRO 78 1.761 -7.428 5.902 550 1HD PRO 78 HD2 PRO 78 0.859 -5.040 4.207 551 2HD PRO 78 HD1 PRO 78 2.509 -5.641 4.517 552 H TYR 79 HN TYR 79 0.069 -5.510 2.041 553 HA TYR 79 HA TYR 79 -2.273 -6.071 0.468 554 1HB TYR 79 HB2 TYR 79 -3.773 -4.277 1.664 555 2HB TYR 79 HB1 TYR 79 -3.374 -5.708 2.603 556 HD1 TYR 79 HD1 TYR 79 -2.382 -5.470 4.780 557 HD2 TYR 79 HD2 TYR 79 -2.174 -2.335 1.938 558 HE1 TYR 79 HE1 TYR 79 -1.273 -4.029 6.441 559 HE2 TYR 79 HE2 TYR 79 -1.088 -0.897 3.583 560 HH TYR 79 HH TYR 79 -0.608 -1.711 6.854 561 H THR 80 HN THR 80 -2.690 -4.364 -1.105 562 HA THR 80 HA THR 80 -0.744 -2.121 -1.191 563 HB THR 80 HB THR 80 0.267 -4.056 -2.515 564 HG1 THR 80 HG1 THR 80 0.581 -3.002 -4.388 565 1HG2 THR 80 HG2 THR 80 -0.865 -4.835 -4.547 566 2HG2 THR 80 HG2 THR 80 -2.255 -3.759 -4.207 567 3HG2 THR 80 HG2 THR 80 -1.908 -5.145 -3.132 568 H ILE 81 HN ILE 81 -1.579 -1.498 -3.860 569 HA ILE 81 HA ILE 81 -4.082 -0.059 -3.257 570 HB ILE 81 HB ILE 81 -2.387 -0.164 -5.820 571 1HG1 ILE 81 HG1 ILE 81 -1.530 2.122 -5.121 572 2HG1 ILE 81 HG1 ILE 81 -2.286 1.903 -3.563 573 1HG2 ILE 81 HG2 ILE 81 -4.647 0.651 -6.217 574 2HG2 ILE 81 HG2 ILE 81 -3.427 1.931 -6.443 575 3HG2 ILE 81 HG2 ILE 81 -4.408 1.898 -4.949 576 1HD1 ILE 81 HD1 ILE 81 -0.720 0.004 -3.065 577 2HD1 ILE 81 HD1 ILE 81 0.154 1.481 -3.513 578 3HD1 ILE 81 HD1 ILE 81 -0.039 0.162 -4.707 579 H SER 82 HN SER 82 -5.372 -2.041 -2.983 580 HA SER 82 HA SER 82 -6.620 -2.872 -5.518 581 1HB SER 82 HB2 SER 82 -4.481 -4.415 -4.646 582 2HB SER 82 HB1 SER 82 -5.822 -5.222 -3.830 583 HG SER 82 HG SER 82 -5.174 -5.362 -6.398 584 H LEU 83 HN LEU 83 -8.558 -4.296 -4.996 585 HA LEU 83 HA LEU 83 -9.709 -3.548 -2.320 586 1HB LEU 83 HB2 LEU 83 -11.139 -4.006 -4.978 587 2HB LEU 83 HB1 LEU 83 -11.914 -3.556 -3.483 588 HG LEU 83 HG LEU 83 -9.839 -1.815 -4.939 589 1HD1 LEU 83 HD1 LEU 83 -11.735 -0.390 -5.532 590 2HD1 LEU 83 HD1 LEU 83 -12.848 -1.565 -4.764 591 3HD1 LEU 83 HD1 LEU 83 -11.896 -2.035 -6.205 592 1HD2 LEU 83 HD2 LEU 83 -11.672 -1.211 -2.594 593 2HD2 LEU 83 HD2 LEU 83 -10.567 -0.056 -3.399 594 3HD2 LEU 83 HD2 LEU 83 -9.898 -1.445 -2.509 595 H ASN 84 HN ASN 84 -8.087 -5.825 -2.885 596 HA ASN 84 HA ASN 84 -10.114 -8.030 -2.636 597 1HB ASN 84 HB2 ASN 84 -8.407 -8.076 -4.619 598 2HB ASN 84 HB1 ASN 84 -7.180 -8.420 -3.418 599 1HD2 ASN 84 HD2 ASN 84 -9.706 -10.078 -2.053 600 2HD2 ASN 84 HD2 ASN 84 -9.554 -11.525 -2.931 601 H ILE 85 HN ILE 85 -7.836 -6.265 -0.818 602 HA ILE 85 HA ILE 85 -7.196 -8.476 1.007 603 HB ILE 85 HB ILE 85 -6.765 -5.467 1.269 604 1HG1 ILE 85 HG1 ILE 85 -4.280 -6.705 0.855 605 2HG1 ILE 85 HG1 ILE 85 -5.311 -7.594 -0.213 606 1HG2 ILE 85 HG2 ILE 85 -6.782 -6.547 3.432 607 2HG2 ILE 85 HG2 ILE 85 -5.179 -5.968 3.009 608 3HG2 ILE 85 HG2 ILE 85 -5.537 -7.725 2.867 609 1HD1 ILE 85 HD1 ILE 85 -4.353 -5.660 -1.389 610 2HD1 ILE 85 HD1 ILE 85 -5.047 -4.546 -0.164 611 3HD1 ILE 85 HD1 ILE 85 -6.116 -5.465 -1.261 612 H ASP 86 HN ASP 86 -7.961 -8.624 3.123 613 HA ASP 86 HA ASP 86 -10.668 -7.575 3.550 614 1HB ASP 86 HB2 ASP 86 -9.032 -9.540 5.205 615 2HB ASP 86 HB1 ASP 86 -10.727 -9.175 5.413 616 H CYS 87 HN CYS 87 -7.464 -7.398 5.040 617 HA CYS 87 HA CYS 87 -6.632 -6.144 6.793 618 1HB CYS 87 HB2 CYS 87 -8.760 -4.234 5.800 619 2HB CYS 87 HB1 CYS 87 -7.394 -3.806 6.787 620 H SER 88 HN SER 88 -9.018 -7.890 7.308 621 HA SER 88 HA SER 88 -10.127 -6.504 9.717 622 1HB SER 88 HB2 SER 88 -11.722 -7.451 7.917 623 2HB SER 88 HB1 SER 88 -11.179 -9.069 8.377 624 HG SER 88 HG SER 88 -11.667 -7.889 10.641 625 H ARG 89 HN ARG 89 -8.091 -9.152 8.731 626 HA ARG 89 HA ARG 89 -7.620 -9.745 11.611 627 1HB ARG 89 HB2 ARG 89 -9.202 -11.456 10.403 628 2HB ARG 89 HB1 ARG 89 -7.780 -11.948 9.498 629 1HG ARG 89 HG2 ARG 89 -6.599 -12.485 11.655 630 2HG ARG 89 HG1 ARG 89 -8.043 -12.025 12.548 631 1HD ARG 89 HD2 ARG 89 -9.342 -13.776 11.284 632 2HD ARG 89 HD1 ARG 89 -7.843 -14.278 10.501 633 HE ARG 89 HE ARG 89 -6.988 -14.885 12.807 634 1HH1 ARG 89 HH1 ARG 89 -9.563 -16.169 11.621 635 2HH1 ARG 89 HH1 ARG 89 -10.486 -16.517 13.037 636 1HH2 ARG 89 HH2 ARG 89 -8.327 -14.463 14.986 637 2HH2 ARG 89 HH2 ARG 89 -9.714 -15.469 15.091 638 H VAL 90 HN VAL 90 -6.134 -8.113 9.743 639 HA VAL 90 HA VAL 90 -3.701 -9.742 9.255 640 HB VAL 90 HB VAL 90 -4.264 -6.913 8.290 641 1HG1 VAL 90 HG1 VAL 90 -2.551 -9.165 7.234 642 2HG1 VAL 90 HG1 VAL 90 -1.961 -7.762 8.149 643 3HG1 VAL 90 HG1 VAL 90 -2.678 -7.524 6.522 644 1HG2 VAL 90 HG2 VAL 90 -5.026 -7.873 6.154 645 2HG2 VAL 90 HG2 VAL 90 -6.103 -8.341 7.505 646 3HG2 VAL 90 HG2 VAL 90 -4.917 -9.510 6.871 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 -3.270 6.793 15.712 2 2H ILE 1 HT2 ILE 1 -3.941 5.272 15.342 3 3H ILE 1 HT3 ILE 1 -4.594 6.687 14.664 4 HA ILE 1 HA ILE 1 -1.925 6.685 13.958 5 HB ILE 1 HB ILE 1 -3.320 4.007 13.327 6 1HG1 ILE 1 HG1 ILE 1 -0.731 4.127 14.914 7 2HG1 ILE 1 HG1 ILE 1 -2.151 4.562 15.830 8 1HG2 ILE 1 HG2 ILE 1 -1.789 4.786 11.546 9 2HG2 ILE 1 HG2 ILE 1 -1.177 3.353 12.401 10 3HG2 ILE 1 HG2 ILE 1 -0.501 4.965 12.781 11 1HD1 ILE 1 HD1 ILE 1 -3.218 2.428 15.087 12 2HD1 ILE 1 HD1 ILE 1 -1.687 2.170 15.999 13 3HD1 ILE 1 HD1 ILE 1 -1.722 2.041 14.214 14 H ASP 2 HN ASP 2 -3.651 8.488 13.380 15 HA ASP 2 HA ASP 2 -5.552 8.082 11.351 16 1HB ASP 2 HB2 ASP 2 -3.866 10.555 11.982 17 2HB ASP 2 HB1 ASP 2 -5.398 10.552 11.131 18 H CYS 3 HN CYS 3 -5.376 8.193 9.042 19 HA CYS 3 HA CYS 3 -2.727 7.504 8.016 20 1HB CYS 3 HB2 CYS 3 -4.844 6.550 6.972 21 2HB CYS 3 HB1 CYS 3 -5.193 8.153 6.345 22 H GLY 4 HN GLY 4 -1.949 9.591 8.937 23 1HA GLY 4 HA2 GLY 4 -2.229 11.883 7.025 24 2HA GLY 4 HA1 GLY 4 -1.639 12.023 8.682 25 H HIS 5 HN HIS 5 0.050 9.712 8.578 26 HA HIS 5 HA HIS 5 2.263 10.860 6.920 27 1HB HIS 5 HB2 HIS 5 2.609 10.392 9.448 28 2HB HIS 5 HB1 HIS 5 2.610 8.679 9.027 29 HD1 HIS 5 HD1 HIS 5 4.151 9.569 6.180 30 HD2 HIS 5 HD2 HIS 5 5.400 10.093 10.044 31 HE1 HIS 5 HE1 HIS 5 6.603 9.798 6.105 32 H VAL 6 HN VAL 6 0.501 7.857 7.527 33 HA VAL 6 HA VAL 6 2.041 6.153 5.867 34 HB VAL 6 HB VAL 6 -0.952 6.019 6.249 35 1HG1 VAL 6 HG1 VAL 6 -0.132 4.584 4.506 36 2HG1 VAL 6 HG1 VAL 6 -0.509 3.580 5.929 37 3HG1 VAL 6 HG1 VAL 6 1.186 3.999 5.568 38 1HG2 VAL 6 HG2 VAL 6 0.089 6.171 8.458 39 2HG2 VAL 6 HG2 VAL 6 1.258 4.909 7.993 40 3HG2 VAL 6 HG2 VAL 6 -0.489 4.513 8.133 41 H ASP 7 HN ASP 7 -0.392 8.539 5.078 42 HA ASP 7 HA ASP 7 -1.074 7.769 2.442 43 1HB ASP 7 HB2 ASP 7 -2.118 9.769 3.608 44 2HB ASP 7 HB1 ASP 7 -0.646 10.672 3.352 45 H SER 8 HN SER 8 1.369 10.178 3.303 46 HA SER 8 HA SER 8 2.547 10.369 0.742 47 1HB SER 8 HB2 SER 8 4.468 11.381 2.255 48 2HB SER 8 HB1 SER 8 2.860 12.133 2.282 49 HG SER 8 HG SER 8 2.945 11.686 4.391 50 H LEU 9 HN LEU 9 3.039 7.948 3.330 51 HA LEU 9 HA LEU 9 5.522 7.041 2.312 52 1HB LEU 9 HB2 LEU 9 3.368 6.006 4.191 53 2HB LEU 9 HB1 LEU 9 4.791 5.113 3.829 54 HG LEU 9 HG LEU 9 4.795 7.954 4.976 55 1HD1 LEU 9 HD1 LEU 9 5.376 5.321 6.369 56 2HD1 LEU 9 HD1 LEU 9 3.904 6.319 6.612 57 3HD1 LEU 9 HD1 LEU 9 5.492 6.950 7.100 58 1HD2 LEU 9 HD2 LEU 9 6.866 7.472 3.793 59 2HD2 LEU 9 HD2 LEU 9 7.054 5.956 4.734 60 3HD2 LEU 9 HD2 LEU 9 7.141 7.546 5.550 61 H VAL 10 HN VAL 10 2.168 5.981 1.831 62 HA VAL 10 HA VAL 10 3.139 3.961 -0.140 63 HB VAL 10 HB VAL 10 0.746 3.338 -0.257 64 1HG1 VAL 10 HG1 VAL 10 1.905 3.543 2.537 65 2HG1 VAL 10 HG1 VAL 10 2.229 2.234 1.351 66 3HG1 VAL 10 HG1 VAL 10 0.604 2.413 2.074 67 1HG2 VAL 10 HG2 VAL 10 -0.851 4.191 1.400 68 2HG2 VAL 10 HG2 VAL 10 -0.347 5.339 0.116 69 3HG2 VAL 10 HG2 VAL 10 0.306 5.496 1.761 70 H ARG 11 HN ARG 11 2.749 7.084 -0.331 71 HA ARG 11 HA ARG 11 1.080 7.391 -2.690 72 1HB ARG 11 HB2 ARG 11 2.004 9.083 -0.716 73 2HB ARG 11 HB1 ARG 11 3.088 9.509 -2.011 74 1HG ARG 11 HG2 ARG 11 1.169 10.998 -1.985 75 2HG ARG 11 HG1 ARG 11 1.142 10.029 -3.454 76 1HD ARG 11 HD2 ARG 11 -0.698 8.675 -2.649 77 2HD ARG 11 HD1 ARG 11 -0.312 9.043 -0.980 78 HE ARG 11 HE ARG 11 -1.472 11.001 -1.061 79 1HH1 ARG 11 HH2 ARG 11 -2.869 9.362 -3.170 80 2HH1 ARG 11 HH2 ARG 11 -3.155 10.454 -4.476 81 1HH2 ARG 11 HH1 ARG 11 -0.867 12.735 -2.924 82 2HH2 ARG 11 HH1 ARG 11 -1.929 12.632 -4.283 83 HA PRO 12 HA PRO 12 5.251 7.872 -4.937 84 1HB PRO 12 HB2 PRO 12 7.410 6.459 -4.136 85 2HB PRO 12 HB1 PRO 12 7.020 8.012 -3.386 86 1HG PRO 12 HG2 PRO 12 6.272 5.215 -2.381 87 2HG PRO 12 HG1 PRO 12 7.060 6.516 -1.489 88 1HD PRO 12 HD2 PRO 12 4.413 6.102 -1.353 89 2HD PRO 12 HD1 PRO 12 5.006 7.781 -1.300 90 H CYS 13 HN CYS 13 4.141 4.668 -3.673 91 HA CYS 13 HA CYS 13 5.113 3.438 -6.129 92 1HB CYS 13 HB2 CYS 13 4.139 2.586 -3.499 93 2HB CYS 13 HB1 CYS 13 3.299 1.797 -4.719 94 H LEU 14 HN LEU 14 2.403 5.269 -5.376 95 HA LEU 14 HA LEU 14 0.384 3.916 -6.929 96 1HB LEU 14 HB2 LEU 14 0.795 6.813 -6.119 97 2HB LEU 14 HB1 LEU 14 -0.410 6.472 -7.324 98 HG LEU 14 HG LEU 14 -0.489 5.249 -4.544 99 1HD1 LEU 14 HD1 LEU 14 -1.948 7.594 -5.849 100 2HD1 LEU 14 HD1 LEU 14 -0.661 7.716 -4.614 101 3HD1 LEU 14 HD1 LEU 14 -2.228 6.981 -4.185 102 1HD2 LEU 14 HD2 LEU 14 -1.668 4.051 -6.415 103 2HD2 LEU 14 HD2 LEU 14 -2.516 5.564 -6.819 104 3HD2 LEU 14 HD2 LEU 14 -2.813 4.763 -5.242 105 H SER 15 HN SER 15 2.932 6.063 -7.756 106 HA SER 15 HA SER 15 2.209 6.931 -10.352 107 1HB SER 15 HB2 SER 15 4.330 7.717 -9.201 108 2HB SER 15 HB1 SER 15 5.053 6.129 -9.466 109 HG SER 15 HG SER 15 5.294 6.624 -11.605 110 H TYR 16 HN TYR 16 3.392 3.824 -9.324 111 HA TYR 16 HA TYR 16 3.724 2.884 -12.096 112 1HB TYR 16 HB2 TYR 16 5.285 2.202 -10.341 113 2HB TYR 16 HB1 TYR 16 3.997 1.516 -9.396 114 HD1 TYR 16 HD1 TYR 16 4.660 1.196 -13.109 115 HD2 TYR 16 HD2 TYR 16 4.382 -0.740 -9.338 116 HE1 TYR 16 HE1 TYR 16 4.836 -0.969 -14.209 117 HE2 TYR 16 HE2 TYR 16 4.551 -2.910 -10.433 118 HH TYR 16 HH TYR 16 3.936 -3.347 -13.548 119 H VAL 17 HN VAL 17 1.733 2.260 -9.352 120 HA VAL 17 HA VAL 17 0.054 0.233 -10.410 121 HB VAL 17 HB VAL 17 -0.968 2.458 -8.632 122 1HG1 VAL 17 HG1 VAL 17 -2.680 1.053 -9.599 123 2HG1 VAL 17 HG1 VAL 17 -2.512 0.640 -7.866 124 3HG1 VAL 17 HG1 VAL 17 -1.789 -0.404 -9.147 125 1HG2 VAL 17 HG2 VAL 17 1.035 1.604 -7.657 126 2HG2 VAL 17 HG2 VAL 17 0.557 -0.062 -8.108 127 3HG2 VAL 17 HG2 VAL 17 -0.322 0.818 -6.812 128 H GLN 18 HN GLN 18 -0.220 3.815 -10.986 129 HA GLN 18 HA GLN 18 -2.718 3.591 -12.272 130 1HB GLN 18 HB2 GLN 18 -2.171 5.797 -12.925 131 2HB GLN 18 HB1 GLN 18 -1.803 5.623 -11.240 132 1HG GLN 18 HG2 GLN 18 0.485 5.900 -11.589 133 2HG GLN 18 HG1 GLN 18 0.463 5.233 -13.213 134 1HE2 GLN 18 HE2 GLN 18 -0.452 8.154 -11.354 135 2HE2 GLN 18 HE2 GLN 18 -0.412 9.155 -12.720 136 H GLY 19 HN GLY 19 0.483 2.815 -13.304 137 1HA GLY 19 HA2 GLY 19 0.755 1.503 -15.347 138 2HA GLY 19 HA1 GLY 19 -0.530 2.412 -16.104 139 H GLY 20 HN GLY 20 2.314 3.500 -14.211 140 1HA GLY 20 HA2 GLY 20 3.406 4.809 -16.665 141 2HA GLY 20 HA1 GLY 20 3.223 5.697 -15.144 142 HA PRO 21 HA PRO 21 7.336 3.527 -15.179 143 1HB PRO 21 HB2 PRO 21 8.993 5.690 -15.004 144 2HB PRO 21 HB1 PRO 21 8.333 5.176 -16.562 145 1HG PRO 21 HG2 PRO 21 7.177 7.288 -14.646 146 2HG PRO 21 HG1 PRO 21 7.591 7.509 -16.352 147 1HD PRO 21 HD2 PRO 21 5.029 6.906 -15.643 148 2HD PRO 21 HD1 PRO 21 5.725 6.125 -17.083 149 H GLY 22 HN GLY 22 8.365 2.957 -13.199 150 1HA GLY 22 HA2 GLY 22 8.879 4.259 -10.939 151 2HA GLY 22 HA1 GLY 22 7.127 4.099 -10.815 152 HA PRO 23 HA PRO 23 6.406 3.383 -9.033 153 1HB PRO 23 HB2 PRO 23 6.887 2.584 -6.478 154 2HB PRO 23 HB1 PRO 23 5.815 1.688 -7.566 155 1HG PRO 23 HG2 PRO 23 8.733 1.098 -6.818 156 2HG PRO 23 HG1 PRO 23 7.367 0.007 -6.957 157 1HD PRO 23 HD2 PRO 23 9.173 0.364 -9.031 158 2HD PRO 23 HD1 PRO 23 7.474 -0.092 -9.304 159 H SER 24 HN SER 24 9.379 2.756 -7.240 160 HA SER 24 HA SER 24 10.885 5.083 -7.894 161 1HB SER 24 HB2 SER 24 10.345 6.563 -5.896 162 2HB SER 24 HB1 SER 24 8.932 6.410 -6.943 163 HG SER 24 HG SER 24 9.085 4.220 -5.414 164 H GLY 25 HN GLY 25 12.797 5.241 -6.647 165 1HA GLY 25 HA2 GLY 25 13.447 2.839 -5.143 166 2HA GLY 25 HA1 GLY 25 14.500 4.248 -5.326 167 H GLN 26 HN GLN 26 11.709 5.572 -4.353 168 HA GLN 26 HA GLN 26 12.583 5.648 -1.491 169 1HB GLN 26 HB2 GLN 26 10.464 7.279 -3.003 170 2HB GLN 26 HB1 GLN 26 10.778 7.450 -1.298 171 1HG GLN 26 HG2 GLN 26 13.154 8.127 -1.790 172 2HG GLN 26 HG1 GLN 26 12.798 8.051 -3.512 173 1HE2 GLN 26 HE2 GLN 26 12.773 10.346 -4.035 174 2HE2 GLN 26 HE2 GLN 26 11.723 11.424 -3.244 175 H CYS 27 HN CYS 27 10.028 4.379 -3.487 176 HA CYS 27 HA CYS 27 8.040 3.968 -1.520 177 1HB CYS 27 HB2 CYS 27 7.614 3.522 -3.935 178 2HB CYS 27 HB1 CYS 27 8.786 2.244 -3.933 179 H CYS 28 HN CYS 28 10.546 1.611 -2.529 180 HA CYS 28 HA CYS 28 9.870 -0.268 -0.535 181 1HB CYS 28 HB2 CYS 28 12.490 0.326 -1.960 182 2HB CYS 28 HB1 CYS 28 12.287 -1.044 -0.880 183 H ASP 29 HN ASP 29 11.424 2.719 -0.051 184 HA ASP 29 HA ASP 29 12.538 1.836 2.545 185 1HB ASP 29 HB2 ASP 29 13.778 3.541 0.950 186 2HB ASP 29 HB1 ASP 29 12.488 4.646 1.353 187 H GLY 30 HN GLY 30 10.197 4.140 1.266 188 1HA GLY 30 HA2 GLY 30 9.164 4.940 3.845 189 2HA GLY 30 HA1 GLY 30 8.399 5.242 2.285 190 H VAL 31 HN VAL 31 8.183 2.501 1.520 191 HA VAL 31 HA VAL 31 5.755 1.795 2.947 192 HB VAL 31 HB VAL 31 7.250 0.602 0.548 193 1HG1 VAL 31 HG1 VAL 31 5.200 -0.438 -0.157 194 2HG1 VAL 31 HG1 VAL 31 4.402 0.079 1.365 195 3HG1 VAL 31 HG1 VAL 31 5.761 -1.076 1.416 196 1HG2 VAL 31 HG2 VAL 31 6.534 2.898 0.202 197 2HG2 VAL 31 HG2 VAL 31 4.890 2.496 0.766 198 3HG2 VAL 31 HG2 VAL 31 5.524 1.780 -0.753 199 H LYS 32 HN LYS 32 9.027 0.289 2.541 200 HA LYS 32 HA LYS 32 8.452 -2.037 4.055 201 1HB LYS 32 HB2 LYS 32 10.458 -1.621 2.669 202 2HB LYS 32 HB1 LYS 32 10.975 -0.383 3.787 203 1HG LYS 32 HG2 LYS 32 11.171 -2.050 5.575 204 2HG LYS 32 HG1 LYS 32 10.622 -3.316 4.485 205 1HD LYS 32 HD2 LYS 32 12.527 -2.718 2.940 206 2HD LYS 32 HD1 LYS 32 13.048 -1.496 4.085 207 1HE LYS 32 HE2 LYS 32 13.297 -3.309 5.826 208 2HE LYS 32 HE1 LYS 32 12.930 -4.501 4.585 209 1HZ LYS 32 HZ1 LYS 32 15.389 -3.297 5.130 210 2HZ LYS 32 HZ2 LYS 32 14.915 -2.755 3.611 211 3HZ LYS 32 HZ3 LYS 32 15.038 -4.423 3.916 212 H ASN 33 HN ASN 33 9.622 1.174 4.977 213 HA ASN 33 HA ASN 33 9.982 0.768 7.752 214 1HB ASN 33 HB2 ASN 33 9.376 3.158 6.000 215 2HB ASN 33 HB1 ASN 33 8.970 3.352 7.691 216 1HD2 ASN 33 HD2 ASN 33 11.569 3.512 5.488 217 2HD2 ASN 33 HD2 ASN 33 12.803 3.614 6.655 218 H LEU 34 HN LEU 34 7.142 2.132 6.211 219 HA LEU 34 HA LEU 34 5.340 2.207 8.325 220 1HB LEU 34 HB2 LEU 34 4.847 3.093 6.087 221 2HB LEU 34 HB1 LEU 34 5.003 1.515 5.363 222 HG LEU 34 HG LEU 34 2.973 0.829 6.890 223 1HD1 LEU 34 HD1 LEU 34 2.779 3.845 6.913 224 2HD1 LEU 34 HD1 LEU 34 3.077 2.777 8.319 225 3HD1 LEU 34 HD1 LEU 34 1.525 2.678 7.450 226 1HD2 LEU 34 HD2 LEU 34 2.628 2.734 4.586 227 2HD2 LEU 34 HD2 LEU 34 1.392 1.604 5.225 228 3HD2 LEU 34 HD2 LEU 34 2.872 0.964 4.476 229 H HIS 35 HN HIS 35 5.701 -0.427 6.018 230 HA HIS 35 HA HIS 35 3.999 -2.311 7.111 231 1HB HIS 35 HB2 HIS 35 5.393 -2.434 4.943 232 2HB HIS 35 HB1 HIS 35 6.724 -3.014 5.929 233 HD1 HIS 35 HD1 HIS 35 6.368 -5.278 4.509 234 HD2 HIS 35 HD2 HIS 35 3.322 -4.458 7.074 235 HE1 HIS 35 HE1 HIS 35 5.079 -7.364 4.723 236 H ASN 36 HN ASN 36 7.407 -1.897 7.856 237 HA ASN 36 HA ASN 36 7.508 -3.936 9.890 238 1HB ASN 36 HB2 ASN 36 9.366 -2.445 8.392 239 2HB ASN 36 HB1 ASN 36 9.590 -1.794 9.991 240 1HD2 ASN 36 HD2 ASN 36 10.657 -3.204 11.534 241 2HD2 ASN 36 HD2 ASN 36 11.190 -4.765 11.120 242 H GLN 37 HN GLN 37 6.840 -0.504 9.948 243 HA GLN 37 HA GLN 37 7.174 -0.160 12.785 244 1HB GLN 37 HB2 GLN 37 7.195 1.690 11.000 245 2HB GLN 37 HB1 GLN 37 5.460 1.454 10.832 246 1HG GLN 37 HG2 GLN 37 5.148 1.931 13.239 247 2HG GLN 37 HG1 GLN 37 6.887 2.185 13.411 248 1HE2 GLN 37 HE2 GLN 37 4.062 3.878 13.029 249 2HE2 GLN 37 HE2 GLN 37 4.708 5.268 12.281 250 H ALA 38 HN ALA 38 4.514 -1.002 10.689 251 HA ALA 38 HA ALA 38 2.479 -0.953 12.766 252 1HB ALA 38 HB1 ALA 38 2.628 -2.303 10.049 253 2HB ALA 38 HB2 ALA 38 1.989 -0.658 10.378 254 3HB ALA 38 HB3 ALA 38 1.120 -2.094 10.984 255 H ARG 39 HN ARG 39 3.530 -2.178 14.412 256 HA ARG 39 HA ARG 39 3.791 -5.102 13.933 257 1HB ARG 39 HB2 ARG 39 5.390 -3.541 15.261 258 2HB ARG 39 HB1 ARG 39 4.229 -3.669 16.558 259 1HG ARG 39 HG2 ARG 39 4.329 -6.150 16.523 260 2HG ARG 39 HG1 ARG 39 5.519 -6.087 15.247 261 1HD ARG 39 HD2 ARG 39 6.368 -4.413 17.501 262 2HD ARG 39 HD1 ARG 39 5.959 -6.028 18.063 263 HE ARG 39 HE ARG 39 7.530 -6.876 16.214 264 1HH1 ARG 39 HH2 ARG 39 8.973 -5.905 18.500 265 2HH1 ARG 39 HH2 ARG 39 10.166 -4.835 17.869 266 1HH2 ARG 39 HH1 ARG 39 8.296 -4.565 14.826 267 2HH2 ARG 39 HH1 ARG 39 9.742 -4.006 15.580 268 H SER 40 HN SER 40 1.469 -2.990 14.960 269 HA SER 40 HA SER 40 0.062 -5.085 16.591 270 1HB SER 40 HB2 SER 40 -0.550 -2.084 16.422 271 2HB SER 40 HB1 SER 40 -1.249 -3.224 17.585 272 HG SER 40 HG SER 40 0.480 -2.710 18.715 273 H GLN 41 HN GLN 41 -2.478 -4.537 16.387 274 HA GLN 41 HA GLN 41 -3.141 -5.260 13.622 275 1HB GLN 41 HB2 GLN 41 -4.001 -6.093 16.095 276 2HB GLN 41 HB1 GLN 41 -5.214 -4.877 15.781 277 1HG GLN 41 HG2 GLN 41 -6.136 -6.044 13.983 278 2HG GLN 41 HG1 GLN 41 -4.679 -7.011 13.700 279 1HE2 GLN 41 HE2 GLN 41 -4.289 -8.825 15.085 280 2HE2 GLN 41 HE2 GLN 41 -5.453 -9.366 16.193 281 H SER 42 HN SER 42 -3.426 -2.536 15.743 282 HA SER 42 HA SER 42 -5.385 -1.095 14.165 283 1HB SER 42 HB2 SER 42 -4.668 -0.730 16.706 284 2HB SER 42 HB1 SER 42 -3.449 0.348 15.998 285 HG SER 42 HG SER 42 -5.034 1.624 15.300 286 H ASP 43 HN ASP 43 -1.874 -1.068 14.292 287 HA ASP 43 HA ASP 43 -1.543 1.162 12.495 288 1HB ASP 43 HB2 ASP 43 0.187 -0.312 14.202 289 2HB ASP 43 HB1 ASP 43 0.583 -0.888 12.637 290 H ARG 44 HN ARG 44 -2.152 -2.177 11.980 291 HA ARG 44 HA ARG 44 -1.333 -2.022 9.149 292 1HB ARG 44 HB2 ARG 44 -1.082 -4.095 10.556 293 2HB ARG 44 HB1 ARG 44 -2.827 -4.245 10.623 294 1HG ARG 44 HG2 ARG 44 -2.146 -3.838 7.834 295 2HG ARG 44 HG1 ARG 44 -0.936 -4.928 8.459 296 1HD ARG 44 HD2 ARG 44 -2.996 -6.032 7.516 297 2HD ARG 44 HD1 ARG 44 -2.589 -6.515 9.174 298 HE ARG 44 HE ARG 44 -4.552 -4.284 8.748 299 1HH1 ARG 44 HH2 ARG 44 -4.574 -7.463 8.566 300 2HH1 ARG 44 HH2 ARG 44 -5.634 -7.876 9.817 301 1HH2 ARG 44 HH1 ARG 44 -5.556 -4.437 11.009 302 2HH2 ARG 44 HH1 ARG 44 -6.203 -5.984 11.369 303 H GLN 45 HN GLN 45 -4.332 -2.210 11.033 304 HA GLN 45 HA GLN 45 -6.095 -2.198 8.761 305 1HB GLN 45 HB2 GLN 45 -6.338 -2.212 11.621 306 2HB GLN 45 HB1 GLN 45 -7.125 -0.749 11.121 307 1HG GLN 45 HG2 GLN 45 -8.882 -1.768 10.148 308 2HG GLN 45 HG1 GLN 45 -7.911 -3.042 9.420 309 1HE2 GLN 45 HE2 GLN 45 -8.265 -5.029 10.360 310 2HE2 GLN 45 HE2 GLN 45 -8.786 -5.263 11.957 311 H SER 46 HN SER 46 -4.604 0.447 10.620 312 HA SER 46 HA SER 46 -5.989 2.580 9.274 313 1HB SER 46 HB2 SER 46 -3.366 2.410 10.822 314 2HB SER 46 HB1 SER 46 -3.720 3.872 9.912 315 HG SER 46 HG SER 46 -4.796 4.416 11.522 316 H ALA 47 HN ALA 47 -2.664 1.379 8.799 317 HA ALA 47 HA ALA 47 -2.187 2.879 6.448 318 1HB ALA 47 HB1 ALA 47 -0.388 1.151 6.084 319 2HB ALA 47 HB2 ALA 47 -1.162 0.143 7.337 320 3HB ALA 47 HB3 ALA 47 -0.446 1.713 7.792 321 H CYS 48 HN CYS 48 -3.668 -0.328 6.747 322 HA CYS 48 HA CYS 48 -3.817 -0.895 3.980 323 1HB CYS 48 HB2 CYS 48 -4.436 -2.314 6.041 324 2HB CYS 48 HB1 CYS 48 -5.976 -1.499 5.985 325 H ASN 49 HN ASN 49 -5.848 1.055 6.005 326 HA ASN 49 HA ASN 49 -7.873 1.615 4.040 327 1HB ASN 49 HB2 ASN 49 -7.062 2.761 6.725 328 2HB ASN 49 HB1 ASN 49 -8.057 3.787 5.737 329 1HD2 ASN 49 HD2 ASN 49 -8.127 0.852 7.506 330 2HD2 ASN 49 HD2 ASN 49 -9.820 0.710 7.210 331 H CYS 50 HN CYS 50 -4.803 3.092 4.666 332 HA CYS 50 HA CYS 50 -5.113 5.464 3.104 333 1HB CYS 50 HB2 CYS 50 -2.608 3.770 3.435 334 2HB CYS 50 HB1 CYS 50 -2.666 5.443 2.987 335 H LEU 51 HN LEU 51 -3.599 2.448 2.180 336 HA LEU 51 HA LEU 51 -3.412 3.024 -0.631 337 1HB LEU 51 HB2 LEU 51 -3.435 0.422 0.902 338 2HB LEU 51 HB1 LEU 51 -3.155 0.533 -0.810 339 HG LEU 51 HG LEU 51 -1.428 2.251 0.933 340 1HD1 LEU 51 HD1 LEU 51 -1.368 0.215 2.062 341 2HD1 LEU 51 HD1 LEU 51 0.198 0.384 1.210 342 3HD1 LEU 51 HD1 LEU 51 -1.059 -0.737 0.593 343 1HD2 LEU 51 HD2 LEU 51 0.239 1.584 -0.817 344 2HD2 LEU 51 HD2 LEU 51 -1.200 2.452 -1.426 345 3HD2 LEU 51 HD2 LEU 51 -1.054 0.670 -1.623 346 H LYS 52 HN LYS 52 -5.783 1.063 1.158 347 HA LYS 52 HA LYS 52 -7.347 0.354 -1.126 348 1HB LYS 52 HB2 LYS 52 -7.101 -0.713 1.190 349 2HB LYS 52 HB1 LYS 52 -8.101 0.553 1.844 350 1HG LYS 52 HG2 LYS 52 -10.089 -0.318 0.901 351 2HG LYS 52 HG1 LYS 52 -9.244 -1.149 -0.391 352 1HD LYS 52 HD2 LYS 52 -8.422 -2.876 1.017 353 2HD LYS 52 HD1 LYS 52 -8.671 -1.991 2.487 354 1HE LYS 52 HE2 LYS 52 -10.870 -3.249 0.763 355 2HE LYS 52 HE1 LYS 52 -10.290 -3.858 2.303 356 1HZ LYS 52 HZ1 LYS 52 -11.614 -2.383 3.402 357 2HZ LYS 52 HZ2 LYS 52 -12.286 -1.939 1.909 358 3HZ LYS 52 HZ3 LYS 52 -10.931 -1.139 2.549 359 H GLY 53 HN GLY 53 -7.763 2.877 1.328 360 1HA GLY 53 HA2 GLY 53 -10.119 4.088 0.449 361 2HA GLY 53 HA1 GLY 53 -8.808 4.955 1.253 362 H ILE 54 HN ILE 54 -6.775 4.744 -0.540 363 HA ILE 54 HA ILE 54 -7.300 6.777 -2.440 364 HB ILE 54 HB ILE 54 -5.121 4.665 -2.154 365 1HG1 ILE 54 HG1 ILE 54 -4.796 7.657 -1.784 366 2HG1 ILE 54 HG1 ILE 54 -5.315 6.621 -0.487 367 1HG2 ILE 54 HG2 ILE 54 -3.751 5.836 -3.742 368 2HG2 ILE 54 HG2 ILE 54 -5.123 6.923 -4.151 369 3HG2 ILE 54 HG2 ILE 54 -5.204 5.168 -4.511 370 1HD1 ILE 54 HD1 ILE 54 -2.840 6.955 -0.441 371 2HD1 ILE 54 HD1 ILE 54 -2.684 6.222 -2.064 372 3HD1 ILE 54 HD1 ILE 54 -3.256 5.238 -0.691 373 H ALA 55 HN ALA 55 -6.476 3.446 -3.222 374 HA ALA 55 HA ALA 55 -7.061 3.348 -5.909 375 1HB ALA 55 HB1 ALA 55 -7.554 0.931 -5.566 376 2HB ALA 55 HB2 ALA 55 -7.733 1.248 -3.812 377 3HB ALA 55 HB3 ALA 55 -6.141 1.446 -4.600 378 H ARG 56 HN ARG 56 -9.339 2.817 -3.262 379 HA ARG 56 HA ARG 56 -11.655 2.235 -4.660 380 1HB ARG 56 HB2 ARG 56 -11.600 2.061 -2.265 381 2HB ARG 56 HB1 ARG 56 -11.093 3.716 -2.067 382 1HG ARG 56 HG2 ARG 56 -13.777 3.174 -3.341 383 2HG ARG 56 HG1 ARG 56 -13.622 2.992 -1.608 384 1HD ARG 56 HD2 ARG 56 -13.097 5.271 -1.249 385 2HD ARG 56 HD1 ARG 56 -12.600 5.585 -2.892 386 HE ARG 56 HE ARG 56 -15.459 5.012 -2.150 387 1HH1 ARG 56 HH1 ARG 56 -14.234 5.243 -4.946 388 2HH1 ARG 56 HH1 ARG 56 -14.793 6.779 -5.460 389 1HH2 ARG 56 HH2 ARG 56 -15.677 7.608 -2.101 390 2HH2 ARG 56 HH2 ARG 56 -15.736 8.237 -3.700 391 H GLY 57 HN GLY 57 -10.229 5.388 -4.258 392 1HA GLY 57 HA2 GLY 57 -12.539 6.775 -5.466 393 2HA GLY 57 HA1 GLY 57 -11.038 7.524 -4.927 394 H ILE 58 HN ILE 58 -9.472 5.499 -6.424 395 HA ILE 58 HA ILE 58 -9.386 6.954 -8.966 396 HB ILE 58 HB ILE 58 -7.886 4.393 -8.183 397 1HG1 ILE 58 HG1 ILE 58 -7.066 7.316 -7.677 398 2HG1 ILE 58 HG1 ILE 58 -7.551 6.176 -6.457 399 1HG2 ILE 58 HG2 ILE 58 -7.735 4.935 -10.559 400 2HG2 ILE 58 HG2 ILE 58 -6.170 5.152 -9.759 401 3HG2 ILE 58 HG2 ILE 58 -7.167 6.590 -10.149 402 1HD1 ILE 58 HD1 ILE 58 -5.601 4.709 -6.969 403 2HD1 ILE 58 HD1 ILE 58 -5.120 6.359 -6.487 404 3HD1 ILE 58 HD1 ILE 58 -5.059 5.893 -8.204 405 H HIS 59 HN HIS 59 -9.922 6.146 -10.990 406 HA HIS 59 HA HIS 59 -11.712 3.736 -11.003 407 1HB HIS 59 HB2 HIS 59 -12.804 5.907 -11.612 408 2HB HIS 59 HB1 HIS 59 -11.645 6.137 -12.907 409 HD1 HIS 59 HD1 HIS 59 -13.990 3.299 -12.015 410 HD2 HIS 59 HD2 HIS 59 -12.718 5.385 -15.285 411 HE1 HIS 59 HE1 HIS 59 -15.200 2.365 -13.953 412 H ASN 60 HN ASN 60 -9.299 5.435 -12.948 413 HA ASN 60 HA ASN 60 -8.902 3.017 -14.623 414 1HB ASN 60 HB2 ASN 60 -9.077 5.391 -15.555 415 2HB ASN 60 HB1 ASN 60 -7.543 5.759 -14.790 416 1HD2 ASN 60 HD2 ASN 60 -5.690 4.178 -15.439 417 2HD2 ASN 60 HD2 ASN 60 -5.679 3.723 -17.082 418 H LEU 61 HN LEU 61 -8.182 1.958 -12.511 419 HA LEU 61 HA LEU 61 -5.320 2.564 -11.884 420 1HB LEU 61 HB2 LEU 61 -7.126 2.454 -10.025 421 2HB LEU 61 HB1 LEU 61 -7.239 0.751 -10.383 422 HG LEU 61 HG LEU 61 -4.680 0.623 -9.944 423 1HD1 LEU 61 HD1 LEU 61 -3.821 2.432 -8.484 424 2HD1 LEU 61 HD1 LEU 61 -5.391 3.266 -8.655 425 3HD1 LEU 61 HD1 LEU 61 -4.318 3.091 -10.073 426 1HD2 LEU 61 HD2 LEU 61 -6.355 -0.278 -8.473 427 2HD2 LEU 61 HD2 LEU 61 -6.512 1.309 -7.653 428 3HD2 LEU 61 HD2 LEU 61 -4.954 0.414 -7.627 429 H ASN 62 HN ASN 62 -3.776 0.756 -11.809 430 HA ASN 62 HA ASN 62 -4.604 -1.543 -13.520 431 1HB ASN 62 HB2 ASN 62 -2.885 0.093 -14.470 432 2HB ASN 62 HB1 ASN 62 -1.854 -0.318 -13.120 433 1HD2 ASN 62 HD2 ASN 62 -2.319 -1.063 -16.267 434 2HD2 ASN 62 HD2 ASN 62 -1.486 -2.538 -16.228 435 H GLU 63 HN GLU 63 -4.756 -3.404 -12.417 436 HA GLU 63 HA GLU 63 -3.651 -3.717 -9.750 437 1HB GLU 63 HB2 GLU 63 -4.700 -5.941 -11.561 438 2HB GLU 63 HB1 GLU 63 -4.543 -5.988 -9.819 439 1HG GLU 63 HG2 GLU 63 -6.789 -5.453 -9.859 440 2HG GLU 63 HG1 GLU 63 -6.204 -3.813 -10.054 441 H ASP 64 HN ASP 64 -2.639 -4.728 -12.984 442 HA ASP 64 HA ASP 64 -0.695 -6.662 -12.268 443 1HB ASP 64 HB2 ASP 64 -1.170 -5.942 -14.739 444 2HB ASP 64 HB1 ASP 64 -0.070 -4.597 -14.423 445 H ASN 65 HN ASN 65 -0.336 -3.157 -12.477 446 HA ASN 65 HA ASN 65 2.404 -3.245 -11.589 447 1HB ASN 65 HB2 ASN 65 0.346 -1.046 -11.866 448 2HB ASN 65 HB1 ASN 65 2.022 -0.705 -11.431 449 1HD2 ASN 65 HD2 ASN 65 1.038 0.299 -13.814 450 2HD2 ASN 65 HD2 ASN 65 1.660 -0.575 -15.153 451 H ALA 66 HN ALA 66 -0.573 -2.241 -9.852 452 HA ALA 66 HA ALA 66 0.528 -1.758 -7.289 453 1HB ALA 66 HB1 ALA 66 -1.544 -2.611 -6.321 454 2HB ALA 66 HB2 ALA 66 -1.990 -3.355 -7.892 455 3HB ALA 66 HB3 ALA 66 -1.962 -1.576 -7.703 456 H ARG 67 HN ARG 67 -0.328 -4.826 -8.727 457 HA ARG 67 HA ARG 67 0.528 -6.396 -6.462 458 1HB ARG 67 HB2 ARG 67 -1.260 -7.088 -7.974 459 2HB ARG 67 HB1 ARG 67 -0.196 -6.992 -9.352 460 1HG ARG 67 HG2 ARG 67 1.088 -8.874 -8.680 461 2HG ARG 67 HG1 ARG 67 0.338 -8.910 -7.089 462 1HD ARG 67 HD2 ARG 67 -1.729 -9.763 -7.919 463 2HD ARG 67 HD1 ARG 67 -1.445 -9.157 -9.545 464 HE ARG 67 HE ARG 67 0.201 -11.411 -8.428 465 1HH1 ARG 67 HH1 ARG 67 0.641 -10.184 -11.085 466 2HH1 ARG 67 HH1 ARG 67 -0.137 -11.270 -12.177 467 1HH2 ARG 67 HH2 ARG 67 -2.004 -12.654 -9.440 468 2HH2 ARG 67 HH2 ARG 67 -1.803 -12.817 -11.144 469 H SER 68 HN SER 68 2.029 -5.232 -9.386 470 HA SER 68 HA SER 68 4.337 -7.006 -9.104 471 1HB SER 68 HB2 SER 68 3.690 -4.722 -11.001 472 2HB SER 68 HB1 SER 68 5.232 -5.592 -11.056 473 HG SER 68 HG SER 68 2.896 -6.424 -12.028 474 H ILE 69 HN ILE 69 3.528 -4.451 -7.304 475 HA ILE 69 HA ILE 69 6.155 -3.129 -7.080 476 HB ILE 69 HB ILE 69 3.471 -2.902 -5.605 477 1HG1 ILE 69 HG1 ILE 69 5.021 -0.931 -7.262 478 2HG1 ILE 69 HG1 ILE 69 3.714 -1.954 -7.828 479 1HG2 ILE 69 HG2 ILE 69 5.196 -2.563 -3.856 480 2HG2 ILE 69 HG2 ILE 69 4.344 -1.051 -4.274 481 3HG2 ILE 69 HG2 ILE 69 5.982 -1.365 -4.926 482 1HD1 ILE 69 HD1 ILE 69 2.153 -0.864 -6.213 483 2HD1 ILE 69 HD1 ILE 69 2.899 0.335 -7.309 484 3HD1 ILE 69 HD1 ILE 69 3.503 0.165 -5.640 485 HA PRO 70 HA PRO 70 6.343 -5.430 -2.894 486 1HB PRO 70 HB2 PRO 70 4.568 -7.531 -2.442 487 2HB PRO 70 HB1 PRO 70 4.292 -5.864 -1.921 488 1HG PRO 70 HG2 PRO 70 3.219 -7.288 -4.400 489 2HG PRO 70 HG1 PRO 70 2.407 -6.228 -3.275 490 1HD PRO 70 HD2 PRO 70 3.294 -5.222 -5.602 491 2HD PRO 70 HD1 PRO 70 3.340 -4.276 -4.100 492 HA PRO 71 HA PRO 71 7.312 -9.750 -4.748 493 1HB PRO 71 HB2 PRO 71 7.039 -10.171 -7.403 494 2HB PRO 71 HB1 PRO 71 5.661 -10.381 -6.310 495 1HG PRO 71 HG2 PRO 71 6.442 -7.811 -7.826 496 2HG PRO 71 HG1 PRO 71 4.915 -8.704 -7.950 497 1HD PRO 71 HD2 PRO 71 5.014 -6.696 -6.240 498 2HD PRO 71 HD1 PRO 71 4.342 -8.240 -5.665 499 H LYS 72 HN LYS 72 8.040 -6.712 -6.066 500 HA LYS 72 HA LYS 72 10.732 -7.681 -6.982 501 1HB LYS 72 HB2 LYS 72 10.933 -5.447 -8.072 502 2HB LYS 72 HB1 LYS 72 9.651 -6.437 -8.762 503 1HG LYS 72 HG2 LYS 72 8.043 -5.214 -7.302 504 2HG LYS 72 HG1 LYS 72 9.322 -4.137 -6.775 505 1HD LYS 72 HD2 LYS 72 8.410 -4.568 -9.635 506 2HD LYS 72 HD1 LYS 72 7.806 -3.287 -8.616 507 1HE LYS 72 HE2 LYS 72 10.118 -2.322 -8.468 508 2HE LYS 72 HE1 LYS 72 10.695 -3.601 -9.537 509 1HZ LYS 72 HZ1 LYS 72 9.987 -2.426 -11.272 510 2HZ LYS 72 HZ2 LYS 72 9.403 -1.189 -10.304 511 3HZ LYS 72 HZ3 LYS 72 8.402 -2.496 -10.710 512 H CYS 73 HN CYS 73 9.146 -5.281 -4.976 513 HA CYS 73 HA CYS 73 11.410 -3.866 -4.103 514 1HB CYS 73 HB2 CYS 73 9.023 -3.361 -3.790 515 2HB CYS 73 HB1 CYS 73 8.918 -4.649 -2.655 516 H GLY 74 HN GLY 74 9.949 -6.702 -2.531 517 1HA GLY 74 HA2 GLY 74 11.500 -8.451 -1.654 518 2HA GLY 74 HA1 GLY 74 12.593 -7.174 -1.171 519 H VAL 75 HN VAL 75 9.389 -6.299 -0.500 520 HA VAL 75 HA VAL 75 9.687 -7.241 2.301 521 HB VAL 75 HB VAL 75 8.438 -5.167 2.862 522 1HG1 VAL 75 HG1 VAL 75 10.243 -3.574 2.315 523 2HG1 VAL 75 HG1 VAL 75 10.882 -4.728 1.121 524 3HG1 VAL 75 HG1 VAL 75 10.884 -5.156 2.863 525 1HG2 VAL 75 HG2 VAL 75 8.123 -3.409 1.201 526 2HG2 VAL 75 HG2 VAL 75 7.200 -4.881 0.781 527 3HG2 VAL 75 HG2 VAL 75 8.720 -4.498 -0.083 528 H ASN 76 HN ASN 76 7.683 -7.340 -0.408 529 HA ASN 76 HA ASN 76 5.535 -8.086 -0.774 530 1HB ASN 76 HB2 ASN 76 7.060 -10.083 0.137 531 2HB ASN 76 HB1 ASN 76 5.923 -10.028 1.475 532 1HD2 ASN 76 HD2 ASN 76 5.727 -9.767 -2.120 533 2HD2 ASN 76 HD2 ASN 76 4.345 -10.756 -2.244 534 H LEU 77 HN LEU 77 4.573 -6.142 0.016 535 HA LEU 77 HA LEU 77 3.613 -5.867 2.671 536 1HB LEU 77 HB2 LEU 77 3.151 -4.375 0.119 537 2HB LEU 77 HB1 LEU 77 1.705 -4.472 1.051 538 HG LEU 77 HG LEU 77 2.826 -3.689 3.034 539 1HD1 LEU 77 HD1 LEU 77 5.024 -2.557 2.838 540 2HD1 LEU 77 HD1 LEU 77 5.140 -3.145 1.154 541 3HD1 LEU 77 HD1 LEU 77 5.131 -4.311 2.514 542 1HD2 LEU 77 HD2 LEU 77 1.624 -2.072 1.683 543 2HD2 LEU 77 HD2 LEU 77 3.091 -1.736 0.709 544 3HD2 LEU 77 HD2 LEU 77 3.049 -1.326 2.449 545 HA PRO 78 HA PRO 78 0.092 -8.511 2.419 546 1HB PRO 78 HB2 PRO 78 -1.170 -7.231 4.744 547 2HB PRO 78 HB1 PRO 78 -0.325 -8.766 4.677 548 1HG PRO 78 HG2 PRO 78 0.772 -6.624 6.019 549 2HG PRO 78 HG1 PRO 78 1.786 -7.802 5.189 550 1HD PRO 78 HD2 PRO 78 0.801 -5.121 4.067 551 2HD PRO 78 HD1 PRO 78 2.459 -5.735 4.180 552 H TYR 79 HN TYR 79 -0.018 -5.276 1.679 553 HA TYR 79 HA TYR 79 -2.512 -5.520 0.248 554 1HB TYR 79 HB2 TYR 79 -3.754 -3.643 1.526 555 2HB TYR 79 HB1 TYR 79 -3.572 -5.115 2.466 556 HD1 TYR 79 HD1 TYR 79 -1.784 -5.231 4.227 557 HD2 TYR 79 HD2 TYR 79 -2.614 -1.630 2.140 558 HE1 TYR 79 HE1 TYR 79 -0.536 -3.955 5.928 559 HE2 TYR 79 HE2 TYR 79 -1.373 -0.378 3.858 560 HH TYR 79 HH TYR 79 0.324 -1.859 6.443 561 H THR 80 HN THR 80 -2.786 -3.760 -1.249 562 HA THR 80 HA THR 80 -0.835 -1.524 -1.146 563 HB THR 80 HB THR 80 0.269 -3.387 -2.373 564 HG1 THR 80 HG1 THR 80 0.932 -1.940 -3.711 565 1HG2 THR 80 HG2 THR 80 -2.115 -3.071 -4.262 566 2HG2 THR 80 HG2 THR 80 -1.838 -4.491 -3.218 567 3HG2 THR 80 HG2 THR 80 -0.677 -4.106 -4.525 568 H ILE 81 HN ILE 81 -1.434 -0.753 -3.791 569 HA ILE 81 HA ILE 81 -4.051 0.542 -3.329 570 HB ILE 81 HB ILE 81 -2.238 0.771 -5.803 571 1HG1 ILE 81 HG1 ILE 81 -1.794 3.118 -4.476 572 2HG1 ILE 81 HG1 ILE 81 -2.199 2.132 -3.120 573 1HG2 ILE 81 HG2 ILE 81 -4.585 1.549 -6.045 574 2HG2 ILE 81 HG2 ILE 81 -3.394 2.853 -6.197 575 3HG2 ILE 81 HG2 ILE 81 -4.320 2.666 -4.669 576 1HD1 ILE 81 HD1 ILE 81 -0.262 0.592 -3.723 577 2HD1 ILE 81 HD1 ILE 81 0.212 2.289 -3.432 578 3HD1 ILE 81 HD1 ILE 81 0.097 1.678 -5.101 579 H SER 82 HN SER 82 -5.277 -1.492 -3.355 580 HA SER 82 HA SER 82 -6.410 -2.062 -5.947 581 1HB SER 82 HB2 SER 82 -4.439 -3.935 -4.617 582 2HB SER 82 HB1 SER 82 -5.832 -4.637 -5.399 583 HG SER 82 HG SER 82 -4.404 -2.593 -6.723 584 H LEU 83 HN LEU 83 -7.848 -4.325 -5.417 585 HA LEU 83 HA LEU 83 -9.181 -3.826 -2.791 586 1HB LEU 83 HB2 LEU 83 -10.642 -4.405 -5.388 587 2HB LEU 83 HB1 LEU 83 -11.349 -3.981 -3.851 588 HG LEU 83 HG LEU 83 -9.560 -2.079 -5.445 589 1HD1 LEU 83 HD1 LEU 83 -11.620 -2.630 -6.638 590 2HD1 LEU 83 HD1 LEU 83 -11.614 -0.946 -6.054 591 3HD1 LEU 83 HD1 LEU 83 -12.581 -2.187 -5.196 592 1HD2 LEU 83 HD2 LEU 83 -9.664 -1.653 -2.997 593 2HD2 LEU 83 HD2 LEU 83 -11.447 -1.599 -3.110 594 3HD2 LEU 83 HD2 LEU 83 -10.450 -0.370 -3.953 595 H ASN 84 HN ASN 84 -7.293 -5.925 -3.640 596 HA ASN 84 HA ASN 84 -9.108 -8.288 -3.192 597 1HB ASN 84 HB2 ASN 84 -8.229 -8.093 -5.579 598 2HB ASN 84 HB1 ASN 84 -6.605 -8.223 -4.951 599 1HD2 ASN 84 HD2 ASN 84 -8.031 -10.453 -3.026 600 2HD2 ASN 84 HD2 ASN 84 -7.973 -11.799 -4.067 601 H ILE 85 HN ILE 85 -7.559 -6.658 -1.271 602 HA ILE 85 HA ILE 85 -5.962 -8.887 -0.094 603 HB ILE 85 HB ILE 85 -4.481 -6.953 0.885 604 1HG1 ILE 85 HG1 ILE 85 -6.162 -5.186 -0.183 605 2HG1 ILE 85 HG1 ILE 85 -4.476 -4.821 -0.074 606 1HG2 ILE 85 HG2 ILE 85 -3.662 -8.643 -0.558 607 2HG2 ILE 85 HG2 ILE 85 -2.967 -7.081 -1.069 608 3HG2 ILE 85 HG2 ILE 85 -4.318 -7.816 -1.995 609 1HD1 ILE 85 HD1 ILE 85 -5.824 -5.925 -2.545 610 2HD1 ILE 85 HD1 ILE 85 -4.106 -5.480 -2.420 611 3HD1 ILE 85 HD1 ILE 85 -5.364 -4.212 -2.282 612 H ASP 86 HN ASP 86 -7.816 -9.360 1.220 613 HA ASP 86 HA ASP 86 -8.985 -7.345 2.903 614 1HB ASP 86 HB2 ASP 86 -9.063 -10.368 3.053 615 2HB ASP 86 HB1 ASP 86 -10.086 -9.288 3.978 616 H CYS 87 HN CYS 87 -7.250 -6.347 3.918 617 HA CYS 87 HA CYS 87 -5.244 -7.451 5.495 618 1HB CYS 87 HB2 CYS 87 -6.836 -4.921 5.868 619 2HB CYS 87 HB1 CYS 87 -5.568 -5.314 6.989 620 H SER 88 HN SER 88 -8.358 -6.477 6.811 621 HA SER 88 HA SER 88 -8.995 -8.746 8.345 622 1HB SER 88 HB2 SER 88 -7.369 -6.755 9.894 623 2HB SER 88 HB1 SER 88 -8.578 -7.764 10.700 624 HG SER 88 HG SER 88 -7.035 -9.187 8.893 625 H ARG 89 HN ARG 89 -8.995 -5.189 8.702 626 HA ARG 89 HA ARG 89 -11.912 -5.242 8.499 627 1HB ARG 89 HB2 ARG 89 -11.111 -5.652 11.071 628 2HB ARG 89 HB1 ARG 89 -10.849 -3.921 11.028 629 1HG ARG 89 HG2 ARG 89 -13.010 -3.680 11.620 630 2HG ARG 89 HG1 ARG 89 -13.375 -4.007 9.952 631 1HD ARG 89 HD2 ARG 89 -14.715 -5.513 11.395 632 2HD ARG 89 HD1 ARG 89 -13.555 -6.475 10.484 633 HE ARG 89 HE ARG 89 -12.147 -6.612 12.494 634 1HH1 ARG 89 HH2 ARG 89 -12.952 -4.258 13.838 635 2HH1 ARG 89 HH2 ARG 89 -14.023 -4.729 15.113 636 1HH2 ARG 89 HH1 ARG 89 -14.442 -7.907 13.512 637 2HH2 ARG 89 HH1 ARG 89 -14.911 -7.043 14.928 638 H VAL 90 HN VAL 90 -9.755 -4.185 7.044 639 HA VAL 90 HA VAL 90 -9.354 -1.420 7.604 640 HB VAL 90 HB VAL 90 -7.654 -2.546 6.348 641 1HG1 VAL 90 HG1 VAL 90 -7.997 -3.668 4.209 642 2HG1 VAL 90 HG1 VAL 90 -9.758 -3.374 4.361 643 3HG1 VAL 90 HG1 VAL 90 -8.927 -4.450 5.515 644 1HG2 VAL 90 HG2 VAL 90 -9.246 -0.869 4.408 645 2HG2 VAL 90 HG2 VAL 90 -7.530 -1.356 4.205 646 3HG2 VAL 90 HG2 VAL 90 -8.008 -0.329 5.581 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 -3.223 7.764 14.060 2 2H ILE 1 HT2 ILE 1 -1.664 8.025 14.664 3 3H ILE 1 HT3 ILE 1 -2.320 6.452 14.672 4 HA ILE 1 HA ILE 1 -0.903 7.783 12.606 5 HB ILE 1 HB ILE 1 -2.163 4.954 12.737 6 1HG1 ILE 1 HG1 ILE 1 0.697 5.861 13.444 7 2HG1 ILE 1 HG1 ILE 1 -0.499 5.380 14.628 8 1HG2 ILE 1 HG2 ILE 1 -1.562 5.692 10.456 9 2HG2 ILE 1 HG2 ILE 1 -0.532 4.367 11.039 10 3HG2 ILE 1 HG2 ILE 1 0.099 6.044 11.036 11 1HD1 ILE 1 HD1 ILE 1 0.713 3.568 12.464 12 2HD1 ILE 1 HD1 ILE 1 -0.577 3.077 13.603 13 3HD1 ILE 1 HD1 ILE 1 1.046 3.531 14.202 14 H ASP 2 HN ASP 2 -4.031 6.024 12.441 15 HA ASP 2 HA ASP 2 -5.842 6.261 11.004 16 1HB ASP 2 HB2 ASP 2 -5.028 9.233 11.106 17 2HB ASP 2 HB1 ASP 2 -6.638 8.576 10.868 18 H CYS 3 HN CYS 3 -4.115 8.907 9.462 19 HA CYS 3 HA CYS 3 -2.915 7.302 7.364 20 1HB CYS 3 HB2 CYS 3 -5.389 7.079 6.755 21 2HB CYS 3 HB1 CYS 3 -5.368 8.799 6.391 22 H GLY 4 HN GLY 4 -2.159 9.458 8.990 23 1HA GLY 4 HA2 GLY 4 -1.996 11.828 7.196 24 2HA GLY 4 HA1 GLY 4 -1.358 11.750 8.837 25 H HIS 5 HN HIS 5 0.353 9.762 8.884 26 HA HIS 5 HA HIS 5 2.483 10.632 7.025 27 1HB HIS 5 HB2 HIS 5 2.726 10.246 9.608 28 2HB HIS 5 HB1 HIS 5 2.699 8.532 9.234 29 HD1 HIS 5 HD1 HIS 5 4.656 11.426 7.810 30 HD2 HIS 5 HD2 HIS 5 5.257 7.600 9.069 31 HE1 HIS 5 HE1 HIS 5 7.066 10.951 7.484 32 H VAL 6 HN VAL 6 0.504 7.794 7.639 33 HA VAL 6 HA VAL 6 1.935 5.951 6.045 34 HB VAL 6 HB VAL 6 -1.080 5.945 6.145 35 1HG1 VAL 6 HG1 VAL 6 -0.638 3.536 6.131 36 2HG1 VAL 6 HG1 VAL 6 1.111 3.869 6.127 37 3HG1 VAL 6 HG1 VAL 6 0.091 4.353 4.728 38 1HG2 VAL 6 HG2 VAL 6 0.873 5.073 8.278 39 2HG2 VAL 6 HG2 VAL 6 -0.883 4.683 8.259 40 3HG2 VAL 6 HG2 VAL 6 -0.343 6.369 8.458 41 H ASP 7 HN ASP 7 -0.439 8.427 5.138 42 HA ASP 7 HA ASP 7 -1.012 7.656 2.493 43 1HB ASP 7 HB2 ASP 7 -2.114 9.629 3.591 44 2HB ASP 7 HB1 ASP 7 -0.620 10.532 3.497 45 H SER 8 HN SER 8 1.430 10.080 3.399 46 HA SER 8 HA SER 8 2.706 10.163 0.857 47 1HB SER 8 HB2 SER 8 3.231 11.887 2.569 48 2HB SER 8 HB1 SER 8 3.991 10.662 3.595 49 HG SER 8 HG SER 8 5.163 10.341 1.262 50 H LEU 9 HN LEU 9 2.957 7.650 3.345 51 HA LEU 9 HA LEU 9 5.444 6.680 2.297 52 1HB LEU 9 HB2 LEU 9 3.365 5.806 4.317 53 2HB LEU 9 HB1 LEU 9 4.708 4.825 3.878 54 HG LEU 9 HG LEU 9 5.039 7.713 4.849 55 1HD1 LEU 9 HD1 LEU 9 5.174 5.152 6.454 56 2HD1 LEU 9 HD1 LEU 9 3.920 6.436 6.582 57 3HD1 LEU 9 HD1 LEU 9 5.616 6.780 7.025 58 1HD2 LEU 9 HD2 LEU 9 6.985 5.365 4.848 59 2HD2 LEU 9 HD2 LEU 9 7.321 7.034 5.394 60 3HD2 LEU 9 HD2 LEU 9 6.994 6.714 3.671 61 H VAL 10 HN VAL 10 2.043 6.037 1.777 62 HA VAL 10 HA VAL 10 2.772 3.730 0.005 63 HB VAL 10 HB VAL 10 0.339 3.274 0.020 64 1HG1 VAL 10 HG1 VAL 10 1.605 3.845 2.745 65 2HG1 VAL 10 HG1 VAL 10 1.822 2.357 1.767 66 3HG1 VAL 10 HG1 VAL 10 0.232 2.744 2.490 67 1HG2 VAL 10 HG2 VAL 10 -0.570 5.462 0.164 68 2HG2 VAL 10 HG2 VAL 10 0.082 5.681 1.805 69 3HG2 VAL 10 HG2 VAL 10 -1.165 4.437 1.513 70 H ARG 11 HN ARG 11 1.886 6.992 -0.203 71 HA ARG 11 HA ARG 11 0.615 7.091 -2.722 72 1HB ARG 11 HB2 ARG 11 1.183 8.924 -0.787 73 2HB ARG 11 HB1 ARG 11 2.527 9.281 -1.839 74 1HG ARG 11 HG2 ARG 11 0.638 10.751 -2.238 75 2HG ARG 11 HG1 ARG 11 0.950 9.762 -3.667 76 1HD ARG 11 HD2 ARG 11 -0.929 8.271 -3.125 77 2HD ARG 11 HD1 ARG 11 -1.054 8.925 -1.507 78 HE ARG 11 HE ARG 11 -1.919 11.007 -2.456 79 1HH1 ARG 11 HH2 ARG 11 -3.868 9.112 -3.370 80 2HH1 ARG 11 HH2 ARG 11 -3.935 9.334 -5.081 81 1HH2 ARG 11 HH1 ARG 11 -0.827 11.026 -5.081 82 2HH2 ARG 11 HH1 ARG 11 -2.101 10.547 -6.144 83 HA PRO 12 HA PRO 12 4.883 7.717 -4.784 84 1HB PRO 12 HB2 PRO 12 7.049 6.418 -3.661 85 2HB PRO 12 HB1 PRO 12 6.617 8.077 -3.245 86 1HG PRO 12 HG2 PRO 12 5.777 5.500 -1.798 87 2HG PRO 12 HG1 PRO 12 6.545 6.935 -1.111 88 1HD PRO 12 HD2 PRO 12 3.924 6.740 -0.924 89 2HD PRO 12 HD1 PRO 12 4.590 8.301 -1.426 90 H CYS 13 HN CYS 13 3.850 4.510 -3.341 91 HA CYS 13 HA CYS 13 5.140 3.089 -5.410 92 1HB CYS 13 HB2 CYS 13 3.049 2.509 -3.334 93 2HB CYS 13 HB1 CYS 13 3.570 1.441 -4.532 94 H LEU 14 HN LEU 14 2.229 4.938 -5.213 95 HA LEU 14 HA LEU 14 0.638 3.493 -7.118 96 1HB LEU 14 HB2 LEU 14 0.673 6.350 -6.167 97 2HB LEU 14 HB1 LEU 14 -0.288 5.973 -7.562 98 HG LEU 14 HG LEU 14 -1.274 4.028 -6.137 99 1HD1 LEU 14 HD1 LEU 14 -0.183 5.868 -4.021 100 2HD1 LEU 14 HD1 LEU 14 0.330 4.180 -4.305 101 3HD1 LEU 14 HD1 LEU 14 -1.325 4.528 -3.716 102 1HD2 LEU 14 HD2 LEU 14 -1.921 6.911 -5.509 103 2HD2 LEU 14 HD2 LEU 14 -2.967 5.460 -5.302 104 3HD2 LEU 14 HD2 LEU 14 -2.488 5.974 -6.929 105 H SER 15 HN SER 15 3.303 5.663 -7.513 106 HA SER 15 HA SER 15 3.044 6.617 -10.103 107 1HB SER 15 HB2 SER 15 5.495 5.570 -8.675 108 2HB SER 15 HB1 SER 15 5.508 6.805 -9.953 109 HG SER 15 HG SER 15 5.051 8.115 -8.377 110 H TYR 16 HN TYR 16 3.661 3.399 -9.085 111 HA TYR 16 HA TYR 16 4.262 2.507 -11.857 112 1HB TYR 16 HB2 TYR 16 5.688 1.714 -10.027 113 2HB TYR 16 HB1 TYR 16 4.319 1.096 -9.160 114 HD1 TYR 16 HD1 TYR 16 4.910 -1.170 -9.066 115 HD2 TYR 16 HD2 TYR 16 4.857 0.753 -12.870 116 HE1 TYR 16 HE1 TYR 16 5.084 -3.352 -10.178 117 HE2 TYR 16 HE2 TYR 16 5.024 -1.403 -13.955 118 HH TYR 16 HH TYR 16 4.265 -3.689 -13.294 119 H VAL 17 HN VAL 17 2.116 1.983 -9.206 120 HA VAL 17 HA VAL 17 0.366 0.075 -10.398 121 HB VAL 17 HB VAL 17 -0.668 2.246 -8.553 122 1HG1 VAL 17 HG1 VAL 17 -2.286 0.793 -9.618 123 2HG1 VAL 17 HG1 VAL 17 -2.180 0.379 -7.886 124 3HG1 VAL 17 HG1 VAL 17 -1.365 -0.646 -9.126 125 1HG2 VAL 17 HG2 VAL 17 -0.003 0.667 -6.719 126 2HG2 VAL 17 HG2 VAL 17 1.390 1.329 -7.613 127 3HG2 VAL 17 HG2 VAL 17 0.809 -0.308 -8.002 128 H GLN 18 HN GLN 18 0.390 3.646 -10.856 129 HA GLN 18 HA GLN 18 -2.124 3.822 -12.039 130 1HB GLN 18 HB2 GLN 18 -1.203 5.865 -12.833 131 2HB GLN 18 HB1 GLN 18 -0.804 5.651 -11.179 132 1HG GLN 18 HG2 GLN 18 1.524 4.705 -12.231 133 2HG GLN 18 HG1 GLN 18 0.982 5.558 -13.670 134 1HE2 GLN 18 HE2 GLN 18 0.577 6.395 -10.240 135 2HE2 GLN 18 HE2 GLN 18 1.326 7.923 -10.376 136 H GLY 19 HN GLY 19 0.842 2.534 -13.259 137 1HA GLY 19 HA2 GLY 19 0.785 1.051 -15.195 138 2HA GLY 19 HA1 GLY 19 -0.478 2.034 -15.909 139 H GLY 20 HN GLY 20 2.483 3.192 -14.378 140 1HA GLY 20 HA2 GLY 20 3.603 3.939 -17.041 141 2HA GLY 20 HA1 GLY 20 3.394 5.166 -15.785 142 HA PRO 21 HA PRO 21 7.512 3.161 -15.198 143 1HB PRO 21 HB2 PRO 21 9.081 5.391 -15.177 144 2HB PRO 21 HB1 PRO 21 8.522 4.695 -16.704 145 1HG PRO 21 HG2 PRO 21 7.195 6.948 -15.083 146 2HG PRO 21 HG1 PRO 21 7.690 7.008 -16.780 147 1HD PRO 21 HD2 PRO 21 5.127 6.387 -16.114 148 2HD PRO 21 HD1 PRO 21 5.898 5.503 -17.451 149 H GLY 22 HN GLY 22 8.428 2.848 -13.121 150 1HA GLY 22 HA2 GLY 22 8.659 4.519 -10.991 151 2HA GLY 22 HA1 GLY 22 6.951 4.049 -10.944 152 HA PRO 23 HA PRO 23 6.319 3.529 -9.094 153 1HB PRO 23 HB2 PRO 23 6.750 3.090 -6.491 154 2HB PRO 23 HB1 PRO 23 5.809 1.976 -7.490 155 1HG PRO 23 HG2 PRO 23 8.768 1.770 -6.652 156 2HG PRO 23 HG1 PRO 23 7.515 0.543 -6.618 157 1HD PRO 23 HD2 PRO 23 9.240 0.683 -8.800 158 2HD PRO 23 HD1 PRO 23 7.507 0.269 -8.963 159 H SER 24 HN SER 24 9.280 3.364 -7.170 160 HA SER 24 HA SER 24 10.434 5.877 -7.867 161 1HB SER 24 HB2 SER 24 9.696 7.179 -5.774 162 2HB SER 24 HB1 SER 24 8.359 6.904 -6.897 163 HG SER 24 HG SER 24 7.600 5.365 -5.675 164 H GLY 25 HN GLY 25 12.029 6.582 -6.266 165 1HA GLY 25 HA2 GLY 25 13.417 4.241 -5.172 166 2HA GLY 25 HA1 GLY 25 13.972 5.922 -5.061 167 H GLN 26 HN GLN 26 10.832 6.085 -4.178 168 HA GLN 26 HA GLN 26 11.556 5.746 -1.267 169 1HB GLN 26 HB2 GLN 26 9.493 7.571 -2.622 170 2HB GLN 26 HB1 GLN 26 9.509 7.300 -0.891 171 1HG GLN 26 HG2 GLN 26 11.977 8.018 -0.899 172 2HG GLN 26 HG1 GLN 26 11.745 8.537 -2.561 173 1HE2 GLN 26 HE2 GLN 26 11.237 10.770 -2.657 174 2HE2 GLN 26 HE2 GLN 26 10.391 11.574 -1.417 175 H CYS 27 HN CYS 27 9.662 4.383 -3.738 176 HA CYS 27 HA CYS 27 7.418 3.506 -2.193 177 1HB CYS 27 HB2 CYS 27 7.494 3.391 -4.612 178 2HB CYS 27 HB1 CYS 27 8.838 2.270 -4.573 179 H CYS 28 HN CYS 28 10.579 1.995 -2.767 180 HA CYS 28 HA CYS 28 9.864 -0.226 -1.001 181 1HB CYS 28 HB2 CYS 28 12.330 0.545 -2.575 182 2HB CYS 28 HB1 CYS 28 12.368 -0.793 -1.443 183 H ASP 29 HN ASP 29 11.417 2.759 -0.521 184 HA ASP 29 HA ASP 29 12.600 1.901 2.044 185 1HB ASP 29 HB2 ASP 29 13.725 3.657 0.415 186 2HB ASP 29 HB1 ASP 29 12.388 4.700 0.803 187 H GLY 30 HN GLY 30 10.130 4.098 0.832 188 1HA GLY 30 HA2 GLY 30 9.122 4.939 3.353 189 2HA GLY 30 HA1 GLY 30 8.258 5.026 1.820 190 H VAL 31 HN VAL 31 7.980 2.337 1.149 191 HA VAL 31 HA VAL 31 5.868 1.600 2.991 192 HB VAL 31 HB VAL 31 7.038 0.383 0.464 193 1HG1 VAL 31 HG1 VAL 31 5.071 -0.908 0.152 194 2HG1 VAL 31 HG1 VAL 31 4.474 -0.426 1.768 195 3HG1 VAL 31 HG1 VAL 31 5.957 -1.413 1.623 196 1HG2 VAL 31 HG2 VAL 31 5.946 2.608 0.271 197 2HG2 VAL 31 HG2 VAL 31 4.490 1.945 1.059 198 3HG2 VAL 31 HG2 VAL 31 5.003 1.332 -0.546 199 H LYS 32 HN LYS 32 9.130 0.253 2.316 200 HA LYS 32 HA LYS 32 8.798 -2.114 3.833 201 1HB LYS 32 HB2 LYS 32 10.643 -1.496 2.284 202 2HB LYS 32 HB1 LYS 32 11.257 -0.358 3.472 203 1HG LYS 32 HG2 LYS 32 11.575 -2.283 5.032 204 2HG LYS 32 HG1 LYS 32 10.986 -3.371 3.781 205 1HD LYS 32 HD2 LYS 32 12.827 -2.105 2.285 206 2HD LYS 32 HD1 LYS 32 13.490 -1.646 3.846 207 1HE LYS 32 HE2 LYS 32 13.699 -4.050 4.476 208 2HE LYS 32 HE1 LYS 32 12.992 -4.501 2.929 209 1HZ LYS 32 HZ1 LYS 32 15.123 -2.700 2.470 210 2HZ LYS 32 HZ2 LYS 32 14.930 -4.312 1.970 211 3HZ LYS 32 HZ3 LYS 32 15.681 -3.958 3.451 212 H ASN 33 HN ASN 33 9.851 1.158 4.691 213 HA ASN 33 HA ASN 33 10.348 0.640 7.443 214 1HB ASN 33 HB2 ASN 33 9.757 3.126 5.752 215 2HB ASN 33 HB1 ASN 33 9.812 3.293 7.482 216 1HD2 ASN 33 HD2 ASN 33 11.854 3.509 4.825 217 2HD2 ASN 33 HD2 ASN 33 13.324 3.188 5.597 218 H LEU 34 HN LEU 34 7.425 2.114 5.995 219 HA LEU 34 HA LEU 34 5.875 2.258 8.319 220 1HB LEU 34 HB2 LEU 34 5.122 3.089 6.072 221 2HB LEU 34 HB1 LEU 34 4.899 1.442 5.553 222 HG LEU 34 HG LEU 34 3.367 1.313 7.817 223 1HD1 LEU 34 HD1 LEU 34 3.220 4.209 7.046 224 2HD1 LEU 34 HD1 LEU 34 3.938 3.527 8.546 225 3HD1 LEU 34 HD1 LEU 34 2.197 3.331 8.218 226 1HD2 LEU 34 HD2 LEU 34 1.450 1.711 6.488 227 2HD2 LEU 34 HD2 LEU 34 2.661 0.768 5.585 228 3HD2 LEU 34 HD2 LEU 34 2.449 2.505 5.219 229 H HIS 35 HN HIS 35 5.898 -0.421 5.977 230 HA HIS 35 HA HIS 35 4.197 -2.194 7.304 231 1HB HIS 35 HB2 HIS 35 5.075 -2.536 5.094 232 2HB HIS 35 HB1 HIS 35 6.686 -2.833 5.629 233 HD1 HIS 35 HD1 HIS 35 6.644 -4.982 7.500 234 HD2 HIS 35 HD2 HIS 35 3.592 -4.789 4.814 235 HE1 HIS 35 HE1 HIS 35 5.636 -7.235 7.444 236 H ASN 36 HN ASN 36 7.693 -2.041 7.592 237 HA ASN 36 HA ASN 36 8.097 -3.976 9.630 238 1HB ASN 36 HB2 ASN 36 9.878 -2.658 8.234 239 2HB ASN 36 HB1 ASN 36 9.611 -1.346 9.350 240 1HD2 ASN 36 HD2 ASN 36 11.734 -3.789 8.791 241 2HD2 ASN 36 HD2 ASN 36 12.240 -4.029 10.403 242 H GLN 37 HN GLN 37 7.378 -0.555 9.878 243 HA GLN 37 HA GLN 37 7.447 -0.365 12.729 244 1HB GLN 37 HB2 GLN 37 7.687 1.643 11.526 245 2HB GLN 37 HB1 GLN 37 6.363 1.287 10.425 246 1HG GLN 37 HG2 GLN 37 4.710 1.757 12.140 247 2HG GLN 37 HG1 GLN 37 5.945 1.948 13.373 248 1HE2 GLN 37 HE2 GLN 37 6.983 3.293 10.381 249 2HE2 GLN 37 HE2 GLN 37 6.562 4.905 10.734 250 H ALA 38 HN ALA 38 4.874 -0.974 10.504 251 HA ALA 38 HA ALA 38 2.749 -1.002 12.463 252 1HB ALA 38 HB1 ALA 38 2.979 -2.171 9.676 253 2HB ALA 38 HB2 ALA 38 2.407 -0.522 10.079 254 3HB ALA 38 HB3 ALA 38 1.429 -1.947 10.538 255 H ARG 39 HN ARG 39 3.748 -2.372 14.031 256 HA ARG 39 HA ARG 39 3.917 -5.274 13.437 257 1HB ARG 39 HB2 ARG 39 5.567 -3.733 14.686 258 2HB ARG 39 HB1 ARG 39 4.455 -3.769 16.016 259 1HG ARG 39 HG2 ARG 39 4.715 -6.149 16.369 260 2HG ARG 39 HG1 ARG 39 5.706 -6.311 14.929 261 1HD ARG 39 HD2 ARG 39 6.429 -4.520 17.318 262 2HD ARG 39 HD1 ARG 39 7.089 -6.135 17.088 263 HE ARG 39 HE ARG 39 7.507 -4.624 14.683 264 1HH1 ARG 39 HH2 ARG 39 9.393 -6.138 16.565 265 2HH1 ARG 39 HH2 ARG 39 10.604 -4.966 16.938 266 1HH2 ARG 39 HH1 ARG 39 8.503 -2.381 15.650 267 2HH2 ARG 39 HH1 ARG 39 10.058 -2.670 16.301 268 H SER 40 HN SER 40 1.679 -3.086 14.663 269 HA SER 40 HA SER 40 0.151 -5.170 16.149 270 1HB SER 40 HB2 SER 40 -1.084 -3.270 17.186 271 2HB SER 40 HB1 SER 40 0.642 -2.875 17.251 272 HG SER 40 HG SER 40 0.313 -1.333 15.803 273 H GLN 41 HN GLN 41 -2.199 -5.302 15.777 274 HA GLN 41 HA GLN 41 -2.858 -5.418 12.990 275 1HB GLN 41 HB2 GLN 41 -4.049 -6.626 15.078 276 2HB GLN 41 HB1 GLN 41 -5.007 -5.158 15.173 277 1HG GLN 41 HG2 GLN 41 -5.797 -5.533 12.820 278 2HG GLN 41 HG1 GLN 41 -4.805 -6.977 12.703 279 1HE2 GLN 41 HE2 GLN 41 -7.978 -6.423 12.857 280 2HE2 GLN 41 HE2 GLN 41 -8.412 -7.613 13.993 281 H SER 42 HN SER 42 -3.389 -2.951 15.482 282 HA SER 42 HA SER 42 -5.082 -1.195 14.159 283 1HB SER 42 HB2 SER 42 -2.720 -0.178 15.796 284 2HB SER 42 HB1 SER 42 -4.417 0.341 15.850 285 HG SER 42 HG SER 42 -3.440 -1.283 17.497 286 H ASP 43 HN ASP 43 -1.500 -1.145 14.083 287 HA ASP 43 HA ASP 43 -1.381 1.009 12.171 288 1HB ASP 43 HB2 ASP 43 0.528 -0.017 13.660 289 2HB ASP 43 HB1 ASP 43 0.715 -1.122 12.312 290 H ARG 44 HN ARG 44 -1.743 -2.409 11.834 291 HA ARG 44 HA ARG 44 -1.203 -2.458 8.970 292 1HB ARG 44 HB2 ARG 44 -2.385 -4.473 10.945 293 2HB ARG 44 HB1 ARG 44 -2.286 -4.835 9.234 294 1HG ARG 44 HG2 ARG 44 0.070 -4.654 9.198 295 2HG ARG 44 HG1 ARG 44 0.149 -3.788 10.728 296 1HD ARG 44 HD2 ARG 44 0.682 -5.766 11.740 297 2HD ARG 44 HD1 ARG 44 -0.952 -6.322 11.425 298 HE ARG 44 HE ARG 44 -0.210 -7.555 9.556 299 1HH1 ARG 44 HH2 ARG 44 1.913 -5.039 9.593 300 2HH1 ARG 44 HH2 ARG 44 3.358 -5.889 9.341 301 1HH2 ARG 44 HH1 ARG 44 1.748 -9.026 9.993 302 2HH2 ARG 44 HH1 ARG 44 3.287 -8.298 9.682 303 H GLN 45 HN GLN 45 -4.084 -2.287 10.930 304 HA GLN 45 HA GLN 45 -5.873 -2.448 8.616 305 1HB GLN 45 HB2 GLN 45 -6.229 -2.730 11.406 306 2HB GLN 45 HB1 GLN 45 -7.003 -1.192 11.070 307 1HG GLN 45 HG2 GLN 45 -8.322 -2.265 9.226 308 2HG GLN 45 HG1 GLN 45 -7.581 -3.813 9.588 309 1HE2 GLN 45 HE2 GLN 45 -7.789 -4.200 12.252 310 2HE2 GLN 45 HE2 GLN 45 -9.405 -4.011 12.754 311 H SER 46 HN SER 46 -4.433 0.144 10.550 312 HA SER 46 HA SER 46 -6.008 2.264 9.389 313 1HB SER 46 HB2 SER 46 -3.183 2.334 10.547 314 2HB SER 46 HB1 SER 46 -4.215 3.750 10.253 315 HG SER 46 HG SER 46 -4.572 1.582 11.983 316 H ALA 47 HN ALA 47 -2.689 1.205 8.612 317 HA ALA 47 HA ALA 47 -2.423 2.924 6.353 318 1HB ALA 47 HB1 ALA 47 -0.550 1.747 7.539 319 2HB ALA 47 HB2 ALA 47 -0.565 1.278 5.803 320 3HB ALA 47 HB3 ALA 47 -1.262 0.192 7.038 321 H CYS 48 HN CYS 48 -3.895 -0.256 6.615 322 HA CYS 48 HA CYS 48 -4.133 -0.771 3.833 323 1HB CYS 48 HB2 CYS 48 -4.754 -2.162 5.996 324 2HB CYS 48 HB1 CYS 48 -6.328 -1.435 5.782 325 H ASN 49 HN ASN 49 -6.271 1.033 6.004 326 HA ASN 49 HA ASN 49 -8.315 1.713 4.167 327 1HB ASN 49 HB2 ASN 49 -7.178 3.522 6.362 328 2HB ASN 49 HB1 ASN 49 -8.707 3.786 5.562 329 1HD2 ASN 49 HD2 ASN 49 -7.551 2.613 8.310 330 2HD2 ASN 49 HD2 ASN 49 -8.854 1.549 8.613 331 H CYS 50 HN CYS 50 -5.276 3.360 4.796 332 HA CYS 50 HA CYS 50 -5.540 5.599 3.119 333 1HB CYS 50 HB2 CYS 50 -3.089 3.890 3.627 334 2HB CYS 50 HB1 CYS 50 -3.013 5.399 2.816 335 H LEU 51 HN LEU 51 -4.318 2.417 2.172 336 HA LEU 51 HA LEU 51 -4.010 3.122 -0.628 337 1HB LEU 51 HB2 LEU 51 -4.389 0.353 0.612 338 2HB LEU 51 HB1 LEU 51 -3.957 0.634 -1.049 339 HG LEU 51 HG LEU 51 -1.813 1.790 -0.252 340 1HD1 LEU 51 HD1 LEU 51 -1.056 1.262 2.026 341 2HD1 LEU 51 HD1 LEU 51 -2.679 0.610 2.396 342 3HD1 LEU 51 HD1 LEU 51 -2.459 2.355 2.027 343 1HD2 LEU 51 HD2 LEU 51 -0.693 -0.340 0.354 344 2HD2 LEU 51 HD2 LEU 51 -1.809 -0.485 -1.037 345 3HD2 LEU 51 HD2 LEU 51 -2.329 -1.050 0.573 346 H LYS 52 HN LYS 52 -6.561 1.391 1.110 347 HA LYS 52 HA LYS 52 -8.266 0.897 -1.134 348 1HB LYS 52 HB2 LYS 52 -8.809 1.192 1.858 349 2HB LYS 52 HB1 LYS 52 -10.179 1.146 0.783 350 1HG LYS 52 HG2 LYS 52 -9.203 -1.114 -0.114 351 2HG LYS 52 HG1 LYS 52 -8.139 -1.098 1.286 352 1HD LYS 52 HD2 LYS 52 -10.093 -1.004 2.812 353 2HD LYS 52 HD1 LYS 52 -11.197 -0.867 1.458 354 1HE LYS 52 HE2 LYS 52 -10.361 -3.227 0.709 355 2HE LYS 52 HE1 LYS 52 -9.567 -3.337 2.266 356 1HZ LYS 52 HZ1 LYS 52 -11.542 -4.034 3.154 357 2HZ LYS 52 HZ2 LYS 52 -12.268 -3.939 1.716 358 3HZ LYS 52 HZ3 LYS 52 -12.270 -2.588 2.740 359 H GLY 53 HN GLY 53 -8.423 3.551 1.201 360 1HA GLY 53 HA2 GLY 53 -10.512 5.052 0.172 361 2HA GLY 53 HA1 GLY 53 -9.122 5.747 1.012 362 H ILE 54 HN ILE 54 -7.126 5.041 -0.790 363 HA ILE 54 HA ILE 54 -7.383 7.166 -2.703 364 HB ILE 54 HB ILE 54 -5.368 4.986 -2.066 365 1HG1 ILE 54 HG1 ILE 54 -5.255 8.034 -1.810 366 2HG1 ILE 54 HG1 ILE 54 -5.688 6.934 -0.534 367 1HG2 ILE 54 HG2 ILE 54 -3.794 5.968 -3.601 368 2HG2 ILE 54 HG2 ILE 54 -5.062 7.064 -4.231 369 3HG2 ILE 54 HG2 ILE 54 -5.222 5.301 -4.467 370 1HD1 ILE 54 HD1 ILE 54 -3.335 7.632 -0.299 371 2HD1 ILE 54 HD1 ILE 54 -2.950 6.952 -1.899 372 3HD1 ILE 54 HD1 ILE 54 -3.469 5.871 -0.571 373 H ALA 55 HN ALA 55 -6.899 3.716 -3.313 374 HA ALA 55 HA ALA 55 -7.267 3.679 -6.049 375 1HB ALA 55 HB1 ALA 55 -8.309 1.685 -3.993 376 2HB ALA 55 HB2 ALA 55 -6.680 1.700 -4.738 377 3HB ALA 55 HB3 ALA 55 -8.123 1.315 -5.728 378 H ARG 56 HN ARG 56 -9.742 3.613 -3.569 379 HA ARG 56 HA ARG 56 -12.077 3.263 -5.034 380 1HB ARG 56 HB2 ARG 56 -11.921 3.267 -2.596 381 2HB ARG 56 HB1 ARG 56 -11.408 4.938 -2.587 382 1HG ARG 56 HG2 ARG 56 -13.612 5.639 -3.481 383 2HG ARG 56 HG1 ARG 56 -14.115 3.955 -3.500 384 1HD ARG 56 HD2 ARG 56 -13.658 3.900 -0.963 385 2HD ARG 56 HD1 ARG 56 -13.323 5.630 -1.065 386 HE ARG 56 HE ARG 56 -15.657 6.014 -1.191 387 1HH1 ARG 56 HH2 ARG 56 -16.091 3.465 0.120 388 2HH1 ARG 56 HH2 ARG 56 -17.101 2.572 -0.948 389 1HH2 ARG 56 HH1 ARG 56 -16.277 4.822 -3.606 390 2HH2 ARG 56 HH1 ARG 56 -17.261 3.446 -3.278 391 H GLY 57 HN GLY 57 -10.128 6.138 -4.886 392 1HA GLY 57 HA2 GLY 57 -12.197 7.743 -6.291 393 2HA GLY 57 HA1 GLY 57 -10.710 8.371 -5.581 394 H ILE 58 HN ILE 58 -9.344 5.958 -6.942 395 HA ILE 58 HA ILE 58 -8.706 7.428 -9.420 396 HB ILE 58 HB ILE 58 -7.734 4.664 -8.517 397 1HG1 ILE 58 HG1 ILE 58 -6.496 7.413 -7.958 398 2HG1 ILE 58 HG1 ILE 58 -7.269 6.388 -6.778 399 1HG2 ILE 58 HG2 ILE 58 -7.261 5.108 -10.863 400 2HG2 ILE 58 HG2 ILE 58 -5.763 5.067 -9.922 401 3HG2 ILE 58 HG2 ILE 58 -6.453 6.648 -10.420 402 1HD1 ILE 58 HD1 ILE 58 -4.857 6.170 -6.587 403 2HD1 ILE 58 HD1 ILE 58 -4.719 5.695 -8.305 404 3HD1 ILE 58 HD1 ILE 58 -5.551 4.618 -7.149 405 H HIS 59 HN HIS 59 -8.947 6.457 -11.539 406 HA HIS 59 HA HIS 59 -11.220 4.487 -11.671 407 1HB HIS 59 HB2 HIS 59 -11.716 6.782 -12.590 408 2HB HIS 59 HB1 HIS 59 -10.469 6.549 -13.805 409 HD1 HIS 59 HD1 HIS 59 -11.272 3.492 -14.386 410 HD2 HIS 59 HD2 HIS 59 -13.884 6.644 -14.334 411 HE1 HIS 59 HE1 HIS 59 -13.198 2.825 -15.761 412 H ASN 60 HN ASN 60 -8.280 5.526 -13.400 413 HA ASN 60 HA ASN 60 -8.199 2.904 -14.810 414 1HB ASN 60 HB2 ASN 60 -7.726 5.019 -16.096 415 2HB ASN 60 HB1 ASN 60 -6.321 5.308 -15.073 416 1HD2 ASN 60 HD2 ASN 60 -4.435 3.954 -15.425 417 2HD2 ASN 60 HD2 ASN 60 -4.391 2.872 -16.736 418 H LEU 61 HN LEU 61 -7.837 1.773 -12.828 419 HA LEU 61 HA LEU 61 -5.189 2.122 -11.532 420 1HB LEU 61 HB2 LEU 61 -7.809 1.412 -10.652 421 2HB LEU 61 HB1 LEU 61 -6.893 -0.062 -10.523 422 HG LEU 61 HG LEU 61 -6.049 2.598 -9.291 423 1HD1 LEU 61 HD1 LEU 61 -6.719 1.589 -7.206 424 2HD1 LEU 61 HD1 LEU 61 -7.328 0.135 -8.049 425 3HD1 LEU 61 HD1 LEU 61 -8.125 1.720 -8.303 426 1HD2 LEU 61 HD2 LEU 61 -4.236 1.021 -9.766 427 2HD2 LEU 61 HD2 LEU 61 -5.105 -0.279 -8.884 428 3HD2 LEU 61 HD2 LEU 61 -4.499 1.167 -8.015 429 H ASN 62 HN ASN 62 -3.722 0.243 -11.305 430 HA ASN 62 HA ASN 62 -4.151 -1.873 -13.366 431 1HB ASN 62 HB2 ASN 62 -2.419 -0.041 -13.901 432 2HB ASN 62 HB1 ASN 62 -1.529 -0.649 -12.503 433 1HD2 ASN 62 HD2 ASN 62 -1.361 -0.914 -15.733 434 2HD2 ASN 62 HD2 ASN 62 -0.802 -2.529 -15.772 435 H GLU 63 HN GLU 63 -4.854 -3.473 -11.925 436 HA GLU 63 HA GLU 63 -3.764 -3.977 -9.332 437 1HB GLU 63 HB2 GLU 63 -5.955 -4.964 -10.058 438 2HB GLU 63 HB1 GLU 63 -5.137 -5.952 -11.253 439 1HG GLU 63 HG2 GLU 63 -4.362 -7.472 -9.702 440 2HG GLU 63 HG1 GLU 63 -4.137 -6.283 -8.437 441 H ASP 64 HN ASP 64 -2.753 -5.077 -12.490 442 HA ASP 64 HA ASP 64 -0.880 -7.065 -11.758 443 1HB ASP 64 HB2 ASP 64 -1.540 -6.841 -14.037 444 2HB ASP 64 HB1 ASP 64 -1.181 -5.140 -14.107 445 H ASN 65 HN ASN 65 -0.389 -3.561 -12.122 446 HA ASN 65 HA ASN 65 2.397 -3.739 -11.302 447 1HB ASN 65 HB2 ASN 65 0.488 -1.422 -11.641 448 2HB ASN 65 HB1 ASN 65 2.187 -1.180 -11.214 449 1HD2 ASN 65 HD2 ASN 65 0.661 -0.485 -13.714 450 2HD2 ASN 65 HD2 ASN 65 1.495 -1.241 -14.992 451 H ALA 66 HN ALA 66 -0.593 -2.668 -9.659 452 HA ALA 66 HA ALA 66 0.431 -1.934 -7.134 453 1HB ALA 66 HB1 ALA 66 -2.011 -1.829 -7.734 454 2HB ALA 66 HB2 ALA 66 -1.685 -2.639 -6.188 455 3HB ALA 66 HB3 ALA 66 -2.036 -3.618 -7.648 456 H ARG 67 HN ARG 67 -0.365 -5.194 -8.253 457 HA ARG 67 HA ARG 67 0.523 -6.458 -5.813 458 1HB ARG 67 HB2 ARG 67 -1.294 -7.197 -7.293 459 2HB ARG 67 HB1 ARG 67 -0.195 -7.418 -8.620 460 1HG ARG 67 HG2 ARG 67 0.420 -9.468 -7.951 461 2HG ARG 67 HG1 ARG 67 0.683 -8.972 -6.292 462 1HD ARG 67 HD2 ARG 67 -1.162 -10.685 -6.476 463 2HD ARG 67 HD1 ARG 67 -1.779 -9.193 -5.810 464 HE ARG 67 HE ARG 67 -2.573 -8.654 -8.208 465 1HH1 ARG 67 HH1 ARG 67 -1.273 -11.556 -8.435 466 2HH1 ARG 67 HH1 ARG 67 -2.631 -12.466 -8.974 467 1HH2 ARG 67 HH2 ARG 67 -4.802 -9.682 -8.201 468 2HH2 ARG 67 HH2 ARG 67 -4.795 -11.260 -8.873 469 H SER 68 HN SER 68 2.031 -5.463 -8.777 470 HA SER 68 HA SER 68 4.361 -7.204 -8.413 471 1HB SER 68 HB2 SER 68 3.748 -4.997 -10.409 472 2HB SER 68 HB1 SER 68 5.289 -5.879 -10.383 473 HG SER 68 HG SER 68 2.704 -6.756 -10.857 474 H ILE 69 HN ILE 69 3.508 -4.413 -6.866 475 HA ILE 69 HA ILE 69 6.069 -3.076 -6.678 476 HB ILE 69 HB ILE 69 3.556 -3.011 -4.900 477 1HG1 ILE 69 HG1 ILE 69 4.539 -0.814 -6.695 478 2HG1 ILE 69 HG1 ILE 69 3.470 -2.082 -7.259 479 1HG2 ILE 69 HG2 ILE 69 5.985 -1.249 -4.796 480 2HG2 ILE 69 HG2 ILE 69 5.520 -2.425 -3.532 481 3HG2 ILE 69 HG2 ILE 69 4.496 -0.996 -3.836 482 1HD1 ILE 69 HD1 ILE 69 2.302 -0.063 -6.461 483 2HD1 ILE 69 HD1 ILE 69 2.862 -0.341 -4.810 484 3HD1 ILE 69 HD1 ILE 69 1.780 -1.544 -5.575 485 HA PRO 70 HA PRO 70 6.553 -5.309 -2.450 486 1HB PRO 70 HB2 PRO 70 5.038 -7.624 -2.051 487 2HB PRO 70 HB1 PRO 70 4.633 -6.011 -1.431 488 1HG PRO 70 HG2 PRO 70 3.556 -7.419 -3.935 489 2HG PRO 70 HG1 PRO 70 2.716 -6.463 -2.739 490 1HD PRO 70 HD2 PRO 70 3.428 -5.310 -5.057 491 2HD PRO 70 HD1 PRO 70 3.483 -4.426 -3.519 492 HA PRO 71 HA PRO 71 7.972 -9.521 -4.280 493 1HB PRO 71 HB2 PRO 71 7.714 -9.857 -7.016 494 2HB PRO 71 HB1 PRO 71 6.513 -10.436 -5.857 495 1HG PRO 71 HG2 PRO 71 6.521 -7.774 -7.396 496 2HG PRO 71 HG1 PRO 71 5.224 -8.959 -7.262 497 1HD PRO 71 HD2 PRO 71 5.168 -6.867 -5.608 498 2HD PRO 71 HD1 PRO 71 4.825 -8.490 -4.970 499 H LYS 72 HN LYS 72 8.181 -7.016 -6.811 500 HA LYS 72 HA LYS 72 10.932 -7.446 -7.363 501 1HB LYS 72 HB2 LYS 72 10.963 -5.244 -8.325 502 2HB LYS 72 HB1 LYS 72 9.484 -6.067 -8.815 503 1HG LYS 72 HG2 LYS 72 8.219 -4.767 -7.159 504 2HG LYS 72 HG1 LYS 72 9.673 -4.007 -6.570 505 1HD LYS 72 HD2 LYS 72 10.014 -3.315 -9.139 506 2HD LYS 72 HD1 LYS 72 8.329 -3.756 -9.281 507 1HE LYS 72 HE2 LYS 72 8.672 -1.378 -8.916 508 2HE LYS 72 HE1 LYS 72 7.650 -2.080 -7.668 509 1HZ LYS 72 HZ1 LYS 72 9.143 -1.455 -6.103 510 2HZ LYS 72 HZ2 LYS 72 10.119 -0.703 -7.264 511 3HZ LYS 72 HZ3 LYS 72 10.335 -2.311 -6.882 512 H CYS 73 HN CYS 73 9.373 -5.509 -4.955 513 HA CYS 73 HA CYS 73 11.754 -4.134 -4.077 514 1HB CYS 73 HB2 CYS 73 9.266 -3.576 -3.932 515 2HB CYS 73 HB1 CYS 73 9.182 -4.709 -2.673 516 H GLY 74 HN GLY 74 9.861 -6.742 -2.513 517 1HA GLY 74 HA2 GLY 74 11.012 -8.719 -1.621 518 2HA GLY 74 HA1 GLY 74 12.407 -7.712 -1.264 519 H VAL 75 HN VAL 75 9.251 -6.466 -0.541 520 HA VAL 75 HA VAL 75 9.773 -6.971 2.342 521 HB VAL 75 HB VAL 75 8.750 -4.848 2.737 522 1HG1 VAL 75 HG1 VAL 75 9.985 -3.228 1.334 523 2HG1 VAL 75 HG1 VAL 75 10.353 -4.544 0.192 524 3HG1 VAL 75 HG1 VAL 75 10.990 -4.620 1.858 525 1HG2 VAL 75 HG2 VAL 75 7.784 -4.793 -0.116 526 2HG2 VAL 75 HG2 VAL 75 7.632 -3.444 1.049 527 3HG2 VAL 75 HG2 VAL 75 6.805 -4.993 1.370 528 H ASN 76 HN ASN 76 7.442 -7.265 -0.171 529 HA ASN 76 HA ASN 76 5.425 -8.490 -0.210 530 1HB ASN 76 HB2 ASN 76 6.984 -10.174 0.903 531 2HB ASN 76 HB1 ASN 76 6.305 -9.655 2.429 532 1HD2 ASN 76 HD2 ASN 76 4.036 -9.940 2.864 533 2HD2 ASN 76 HD2 ASN 76 3.106 -11.049 1.963 534 H LEU 77 HN LEU 77 3.892 -6.802 0.116 535 HA LEU 77 HA LEU 77 3.271 -6.047 2.918 536 1HB LEU 77 HB2 LEU 77 2.942 -4.776 0.268 537 2HB LEU 77 HB1 LEU 77 1.414 -4.854 1.052 538 HG LEU 77 HG LEU 77 2.210 -3.687 3.000 539 1HD1 LEU 77 HD1 LEU 77 4.415 -2.632 3.081 540 2HD1 LEU 77 HD1 LEU 77 4.831 -3.402 1.517 541 3HD1 LEU 77 HD1 LEU 77 4.620 -4.407 2.976 542 1HD2 LEU 77 HD2 LEU 77 2.603 -1.516 2.018 543 2HD2 LEU 77 HD2 LEU 77 1.338 -2.412 1.123 544 3HD2 LEU 77 HD2 LEU 77 2.986 -2.268 0.442 545 HA PRO 78 HA PRO 78 -0.264 -8.661 2.867 546 1HB PRO 78 HB2 PRO 78 -1.609 -7.873 4.972 547 2HB PRO 78 HB1 PRO 78 0.063 -8.365 5.197 548 1HG PRO 78 HG2 PRO 78 -1.049 -5.521 4.989 549 2HG PRO 78 HG1 PRO 78 0.123 -6.158 6.141 550 1HD PRO 78 HD2 PRO 78 0.824 -4.856 3.754 551 2HD PRO 78 HD1 PRO 78 1.899 -5.972 4.644 552 H TYR 79 HN TYR 79 -0.322 -5.701 1.591 553 HA TYR 79 HA TYR 79 -2.841 -6.079 0.274 554 1HB TYR 79 HB2 TYR 79 -3.895 -3.899 1.191 555 2HB TYR 79 HB1 TYR 79 -3.769 -5.195 2.371 556 HD1 TYR 79 HD1 TYR 79 -3.564 -4.198 4.425 557 HD2 TYR 79 HD2 TYR 79 -1.106 -2.618 1.319 558 HE1 TYR 79 HE1 TYR 79 -2.399 -2.741 6.009 559 HE2 TYR 79 HE2 TYR 79 0.022 -1.231 2.900 560 HH TYR 79 HH TYR 79 0.108 -1.604 5.962 561 H THR 80 HN THR 80 -3.277 -4.318 -1.397 562 HA THR 80 HA THR 80 -0.976 -2.487 -1.762 563 HB THR 80 HB THR 80 -0.383 -4.518 -3.164 564 HG1 THR 80 HG1 THR 80 0.333 -3.087 -4.503 565 1HG2 THR 80 HG2 THR 80 -2.707 -5.237 -3.785 566 2HG2 THR 80 HG2 THR 80 -1.638 -4.980 -5.197 567 3HG2 THR 80 HG2 THR 80 -2.869 -3.753 -4.763 568 H ILE 81 HN ILE 81 -1.705 -1.291 -4.024 569 HA ILE 81 HA ILE 81 -4.142 0.141 -3.264 570 HB ILE 81 HB ILE 81 -2.451 0.434 -5.821 571 1HG1 ILE 81 HG1 ILE 81 -1.300 2.373 -4.735 572 2HG1 ILE 81 HG1 ILE 81 -2.169 2.093 -3.252 573 1HG2 ILE 81 HG2 ILE 81 -4.277 2.373 -4.398 574 2HG2 ILE 81 HG2 ILE 81 -4.652 1.484 -5.906 575 3HG2 ILE 81 HG2 ILE 81 -3.355 2.709 -5.892 576 1HD1 ILE 81 HD1 ILE 81 0.182 1.358 -3.135 577 2HD1 ILE 81 HD1 ILE 81 -0.088 0.206 -4.481 578 3HD1 ILE 81 HD1 ILE 81 -0.894 -0.026 -2.896 579 H SER 82 HN SER 82 -5.427 -1.903 -3.390 580 HA SER 82 HA SER 82 -6.849 -2.007 -5.962 581 1HB SER 82 HB2 SER 82 -5.065 -3.767 -6.386 582 2HB SER 82 HB1 SER 82 -5.490 -4.562 -4.863 583 HG SER 82 HG SER 82 -6.731 -5.033 -7.179 584 H LEU 83 HN LEU 83 -8.432 -4.185 -5.488 585 HA LEU 83 HA LEU 83 -9.571 -3.723 -2.759 586 1HB LEU 83 HB2 LEU 83 -10.980 -3.607 -5.460 587 2HB LEU 83 HB1 LEU 83 -11.866 -3.992 -4.010 588 HG LEU 83 HG LEU 83 -10.743 -1.772 -3.012 589 1HD1 LEU 83 HD1 LEU 83 -10.541 -1.181 -5.960 590 2HD1 LEU 83 HD1 LEU 83 -9.183 -1.280 -4.798 591 3HD1 LEU 83 HD1 LEU 83 -10.392 0.000 -4.613 592 1HD2 LEU 83 HD2 LEU 83 -13.120 -2.028 -3.395 593 2HD2 LEU 83 HD2 LEU 83 -12.893 -1.580 -5.112 594 3HD2 LEU 83 HD2 LEU 83 -12.566 -0.384 -3.822 595 H ASN 84 HN ASN 84 -7.879 -5.727 -3.348 596 HA ASN 84 HA ASN 84 -9.511 -8.204 -3.711 597 1HB ASN 84 HB2 ASN 84 -7.103 -7.545 -4.796 598 2HB ASN 84 HB1 ASN 84 -6.502 -8.257 -3.311 599 1HD2 ASN 84 HD2 ASN 84 -6.890 -9.114 -6.448 600 2HD2 ASN 84 HD2 ASN 84 -7.339 -10.730 -6.194 601 H ILE 85 HN ILE 85 -7.045 -6.975 -1.419 602 HA ILE 85 HA ILE 85 -7.871 -8.931 0.606 603 HB ILE 85 HB ILE 85 -6.253 -7.668 2.091 604 1HG1 ILE 85 HG1 ILE 85 -4.805 -5.975 0.586 605 2HG1 ILE 85 HG1 ILE 85 -6.323 -5.718 -0.219 606 1HG2 ILE 85 HG2 ILE 85 -5.489 -9.500 0.743 607 2HG2 ILE 85 HG2 ILE 85 -4.233 -8.230 0.845 608 3HG2 ILE 85 HG2 ILE 85 -5.211 -8.403 -0.642 609 1HD1 ILE 85 HD1 ILE 85 -7.429 -5.065 1.915 610 2HD1 ILE 85 HD1 ILE 85 -6.039 -4.045 1.531 611 3HD1 ILE 85 HD1 ILE 85 -5.882 -5.333 2.775 612 H ASP 86 HN ASP 86 -8.969 -8.411 2.601 613 HA ASP 86 HA ASP 86 -10.550 -5.889 2.320 614 1HB ASP 86 HB2 ASP 86 -11.615 -8.465 2.571 615 2HB ASP 86 HB1 ASP 86 -11.700 -7.872 4.227 616 H CYS 87 HN CYS 87 -7.916 -6.106 3.555 617 HA CYS 87 HA CYS 87 -6.809 -5.410 5.451 618 1HB CYS 87 HB2 CYS 87 -9.299 -3.731 5.782 619 2HB CYS 87 HB1 CYS 87 -7.700 -3.370 6.355 620 H SER 88 HN SER 88 -9.216 -7.490 5.919 621 HA SER 88 HA SER 88 -9.066 -7.178 8.906 622 1HB SER 88 HB2 SER 88 -11.344 -8.509 8.731 623 2HB SER 88 HB1 SER 88 -11.326 -6.784 8.310 624 HG SER 88 HG SER 88 -11.380 -7.248 6.234 625 H ARG 89 HN ARG 89 -7.199 -8.612 7.178 626 HA ARG 89 HA ARG 89 -7.191 -11.167 8.676 627 1HB ARG 89 HB2 ARG 89 -8.366 -11.132 6.152 628 2HB ARG 89 HB1 ARG 89 -6.720 -11.434 5.724 629 1HG ARG 89 HG2 ARG 89 -7.066 -13.607 6.065 630 2HG ARG 89 HG1 ARG 89 -7.103 -13.285 7.785 631 1HD ARG 89 HD2 ARG 89 -9.491 -13.158 5.877 632 2HD ARG 89 HD1 ARG 89 -9.238 -14.378 7.131 633 HE ARG 89 HE ARG 89 -9.532 -11.441 7.783 634 1HH1 ARG 89 HH1 ARG 89 -8.778 -13.124 9.946 635 2HH1 ARG 89 HH1 ARG 89 -10.252 -13.612 10.703 636 1HH2 ARG 89 HH2 ARG 89 -12.016 -12.606 7.734 637 2HH2 ARG 89 HH2 ARG 89 -12.303 -13.264 9.303 638 H VAL 90 HN VAL 90 -5.415 -8.894 8.832 639 HA VAL 90 HA VAL 90 -2.944 -10.204 7.846 640 HB VAL 90 HB VAL 90 -2.165 -7.919 7.100 641 1HG1 VAL 90 HG1 VAL 90 -3.169 -9.493 5.491 642 2HG1 VAL 90 HG1 VAL 90 -3.618 -7.806 5.078 643 3HG1 VAL 90 HG1 VAL 90 -4.797 -8.872 5.882 644 1HG2 VAL 90 HG2 VAL 90 -3.828 -6.123 6.869 645 2HG2 VAL 90 HG2 VAL 90 -3.651 -6.648 8.573 646 3HG2 VAL 90 HG2 VAL 90 -5.068 -7.170 7.624 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 -0.359 4.867 15.285 2 2H ILE 1 HT2 ILE 1 -0.370 3.652 14.111 3 3H ILE 1 HT3 ILE 1 -1.730 4.670 14.267 4 HA ILE 1 HA ILE 1 0.509 6.268 13.805 5 HB ILE 1 HB ILE 1 1.393 4.083 12.769 6 1HG1 ILE 1 HG1 ILE 1 0.745 6.025 10.511 7 2HG1 ILE 1 HG1 ILE 1 1.977 6.348 11.714 8 1HG2 ILE 1 HG2 ILE 1 -1.015 4.372 10.959 9 2HG2 ILE 1 HG2 ILE 1 -0.824 3.131 12.237 10 3HG2 ILE 1 HG2 ILE 1 0.276 3.137 10.843 11 1HD1 ILE 1 HD1 ILE 1 1.895 3.857 9.918 12 2HD1 ILE 1 HD1 ILE 1 3.140 4.204 11.147 13 3HD1 ILE 1 HD1 ILE 1 2.959 5.271 9.722 14 H ASP 2 HN ASP 2 -0.144 7.808 12.048 15 HA ASP 2 HA ASP 2 -3.121 7.876 11.733 16 1HB ASP 2 HB2 ASP 2 -2.132 9.829 12.907 17 2HB ASP 2 HB1 ASP 2 -1.037 10.099 11.568 18 H CYS 3 HN CYS 3 -3.980 7.923 9.706 19 HA CYS 3 HA CYS 3 -2.472 6.952 7.485 20 1HB CYS 3 HB2 CYS 3 -4.983 6.786 7.814 21 2HB CYS 3 HB1 CYS 3 -5.083 8.466 7.319 22 H GLY 4 HN GLY 4 -2.901 10.133 8.701 23 1HA GLY 4 HA2 GLY 4 -2.522 11.747 6.403 24 2HA GLY 4 HA1 GLY 4 -1.972 12.196 8.021 25 H HIS 5 HN HIS 5 -0.200 9.873 8.265 26 HA HIS 5 HA HIS 5 2.014 10.935 6.561 27 1HB HIS 5 HB2 HIS 5 2.513 10.697 9.010 28 2HB HIS 5 HB1 HIS 5 2.210 8.960 8.885 29 HD1 HIS 5 HD1 HIS 5 3.813 9.907 5.798 30 HD2 HIS 5 HD2 HIS 5 5.157 9.155 9.616 31 HE1 HIS 5 HE1 HIS 5 6.216 9.475 5.637 32 H VAL 6 HN VAL 6 0.341 7.904 7.344 33 HA VAL 6 HA VAL 6 1.967 6.221 5.709 34 HB VAL 6 HB VAL 6 -1.023 5.897 6.055 35 1HG1 VAL 6 HG1 VAL 6 -0.057 4.466 4.379 36 2HG1 VAL 6 HG1 VAL 6 -0.347 3.475 5.835 37 3HG1 VAL 6 HG1 VAL 6 1.299 4.047 5.474 38 1HG2 VAL 6 HG2 VAL 6 -0.496 4.508 8.020 39 2HG2 VAL 6 HG2 VAL 6 -0.002 6.202 8.261 40 3HG2 VAL 6 HG2 VAL 6 1.232 4.980 7.856 41 H ASP 7 HN ASP 7 -0.763 8.311 4.894 42 HA ASP 7 HA ASP 7 -1.376 7.576 2.289 43 1HB ASP 7 HB2 ASP 7 -2.642 9.419 3.302 44 2HB ASP 7 HB1 ASP 7 -1.194 10.341 3.575 45 H SER 8 HN SER 8 1.286 9.547 3.464 46 HA SER 8 HA SER 8 2.244 10.165 0.795 47 1HB SER 8 HB2 SER 8 4.039 11.364 2.044 48 2HB SER 8 HB1 SER 8 2.443 11.699 2.734 49 HG SER 8 HG SER 8 4.523 10.736 3.970 50 H LEU 9 HN LEU 9 2.867 7.596 3.131 51 HA LEU 9 HA LEU 9 5.328 6.792 1.908 52 1HB LEU 9 HB2 LEU 9 3.350 5.713 3.931 53 2HB LEU 9 HB1 LEU 9 4.737 4.819 3.462 54 HG LEU 9 HG LEU 9 4.787 7.652 4.666 55 1HD1 LEU 9 HD1 LEU 9 5.563 5.003 5.924 56 2HD1 LEU 9 HD1 LEU 9 4.075 5.943 6.285 57 3HD1 LEU 9 HD1 LEU 9 5.677 6.611 6.688 58 1HD2 LEU 9 HD2 LEU 9 7.191 7.299 4.994 59 2HD2 LEU 9 HD2 LEU 9 6.781 7.185 3.266 60 3HD2 LEU 9 HD2 LEU 9 7.077 5.692 4.225 61 H VAL 10 HN VAL 10 1.969 5.948 1.573 62 HA VAL 10 HA VAL 10 2.499 3.694 -0.274 63 HB VAL 10 HB VAL 10 0.111 3.466 -0.357 64 1HG1 VAL 10 HG1 VAL 10 1.000 4.326 2.413 65 2HG1 VAL 10 HG1 VAL 10 1.064 2.686 1.706 66 3HG1 VAL 10 HG1 VAL 10 -0.515 3.475 2.058 67 1HG2 VAL 10 HG2 VAL 10 -0.540 5.827 -0.667 68 2HG2 VAL 10 HG2 VAL 10 -0.091 6.145 1.045 69 3HG2 VAL 10 HG2 VAL 10 -1.457 5.070 0.660 70 H ARG 11 HN ARG 11 1.888 7.042 -0.525 71 HA ARG 11 HA ARG 11 0.812 7.237 -3.116 72 1HB ARG 11 HB2 ARG 11 1.746 9.031 -1.107 73 2HB ARG 11 HB1 ARG 11 2.816 9.340 -2.444 74 1HG ARG 11 HG2 ARG 11 0.907 10.875 -2.424 75 2HG ARG 11 HG1 ARG 11 0.943 9.912 -3.897 76 1HD ARG 11 HD2 ARG 11 -0.858 8.451 -3.035 77 2HD ARG 11 HD1 ARG 11 -0.775 9.209 -1.453 78 HE ARG 11 HE ARG 11 -1.737 11.224 -2.388 79 1HH1 ARG 11 HH1 ARG 11 -3.596 9.026 -3.163 80 2HH1 ARG 11 HH1 ARG 11 -3.904 9.339 -4.833 81 1HH2 ARG 11 HH2 ARG 11 -1.095 11.476 -5.048 82 2HH2 ARG 11 HH2 ARG 11 -2.362 10.802 -6.011 83 HA PRO 12 HA PRO 12 5.227 7.449 -4.992 84 1HB PRO 12 HB2 PRO 12 7.174 5.963 -3.677 85 2HB PRO 12 HB1 PRO 12 6.940 7.694 -3.406 86 1HG PRO 12 HG2 PRO 12 5.759 5.345 -1.814 87 2HG PRO 12 HG1 PRO 12 6.627 6.752 -1.192 88 1HD PRO 12 HD2 PRO 12 3.977 6.809 -1.150 89 2HD PRO 12 HD1 PRO 12 4.802 8.264 -1.710 90 H CYS 13 HN CYS 13 4.043 4.367 -3.372 91 HA CYS 13 HA CYS 13 5.078 2.812 -5.518 92 1HB CYS 13 HB2 CYS 13 3.068 2.279 -3.364 93 2HB CYS 13 HB1 CYS 13 3.862 1.218 -4.397 94 H LEU 14 HN LEU 14 2.110 4.393 -4.677 95 HA LEU 14 HA LEU 14 0.342 3.184 -6.541 96 1HB LEU 14 HB2 LEU 14 -0.244 4.575 -4.601 97 2HB LEU 14 HB1 LEU 14 0.492 5.966 -5.344 98 HG LEU 14 HG LEU 14 -1.661 4.587 -6.931 99 1HD1 LEU 14 HD1 LEU 14 -2.467 4.649 -4.606 100 2HD1 LEU 14 HD1 LEU 14 -3.345 5.823 -5.623 101 3HD1 LEU 14 HD1 LEU 14 -2.058 6.384 -4.504 102 1HD2 LEU 14 HD2 LEU 14 -0.439 6.552 -7.817 103 2HD2 LEU 14 HD2 LEU 14 -0.953 7.481 -6.379 104 3HD2 LEU 14 HD2 LEU 14 -2.170 6.879 -7.551 105 H SER 15 HN SER 15 2.738 5.712 -6.950 106 HA SER 15 HA SER 15 1.991 6.809 -9.406 107 1HB SER 15 HB2 SER 15 4.804 6.231 -8.343 108 2HB SER 15 HB1 SER 15 4.380 7.457 -9.557 109 HG SER 15 HG SER 15 3.865 8.639 -7.864 110 H TYR 16 HN TYR 16 3.163 3.647 -8.798 111 HA TYR 16 HA TYR 16 3.832 3.144 -11.656 112 1HB TYR 16 HB2 TYR 16 5.326 2.477 -9.918 113 2HB TYR 16 HB1 TYR 16 4.090 1.665 -9.035 114 HD1 TYR 16 HD1 TYR 16 3.640 -0.540 -9.338 115 HD2 TYR 16 HD2 TYR 16 6.133 1.383 -12.181 116 HE1 TYR 16 HE1 TYR 16 4.258 -2.709 -10.255 117 HE2 TYR 16 HE2 TYR 16 6.743 -0.808 -13.122 118 HH TYR 16 HH TYR 16 5.089 -3.219 -12.877 119 H VAL 17 HN VAL 17 1.763 2.106 -9.119 120 HA VAL 17 HA VAL 17 0.212 0.134 -10.442 121 HB VAL 17 HB VAL 17 -1.045 2.114 -8.524 122 1HG1 VAL 17 HG1 VAL 17 -1.443 -0.800 -9.217 123 2HG1 VAL 17 HG1 VAL 17 -2.545 0.533 -9.644 124 3HG1 VAL 17 HG1 VAL 17 -2.353 0.078 -7.934 125 1HG2 VAL 17 HG2 VAL 17 -0.196 0.515 -6.736 126 2HG2 VAL 17 HG2 VAL 17 1.086 1.404 -7.589 127 3HG2 VAL 17 HG2 VAL 17 0.705 -0.271 -8.081 128 H GLN 18 HN GLN 18 -0.114 3.659 -10.731 129 HA GLN 18 HA GLN 18 -2.617 3.733 -11.966 130 1HB GLN 18 HB2 GLN 18 -1.992 5.930 -12.326 131 2HB GLN 18 HB1 GLN 18 -1.053 5.516 -10.954 132 1HG GLN 18 HG2 GLN 18 0.960 5.112 -12.541 133 2HG GLN 18 HG1 GLN 18 -0.030 5.742 -13.848 134 1HE2 GLN 18 HE2 GLN 18 0.309 6.787 -10.462 135 2HE2 GLN 18 HE2 GLN 18 0.770 8.382 -10.828 136 H GLY 19 HN GLY 19 0.500 2.913 -13.193 137 1HA GLY 19 HA2 GLY 19 0.739 1.477 -15.113 138 2HA GLY 19 HA1 GLY 19 -0.600 2.180 -15.911 139 H GLY 20 HN GLY 20 2.182 3.501 -14.179 140 1HA GLY 20 HA2 GLY 20 3.300 4.685 -16.701 141 2HA GLY 20 HA1 GLY 20 3.102 5.673 -15.244 142 HA PRO 21 HA PRO 21 7.241 3.546 -15.106 143 1HB PRO 21 HB2 PRO 21 8.854 5.731 -15.033 144 2HB PRO 21 HB1 PRO 21 8.194 5.147 -16.567 145 1HG PRO 21 HG2 PRO 21 6.987 7.299 -14.719 146 2HG PRO 21 HG1 PRO 21 7.419 7.492 -16.424 147 1HD PRO 21 HD2 PRO 21 4.876 6.856 -15.733 148 2HD PRO 21 HD1 PRO 21 5.600 6.034 -17.142 149 H GLY 22 HN GLY 22 8.282 3.121 -13.079 150 1HA GLY 22 HA2 GLY 22 8.730 4.596 -10.896 151 2HA GLY 22 HA1 GLY 22 6.991 4.329 -10.766 152 HA PRO 23 HA PRO 23 6.424 3.750 -8.916 153 1HB PRO 23 HB2 PRO 23 6.864 3.075 -6.376 154 2HB PRO 23 HB1 PRO 23 5.840 2.102 -7.430 155 1HG PRO 23 HG2 PRO 23 8.762 1.597 -6.623 156 2HG PRO 23 HG1 PRO 23 7.425 0.464 -6.722 157 1HD PRO 23 HD2 PRO 23 9.241 0.749 -8.821 158 2HD PRO 23 HD1 PRO 23 7.550 0.266 -9.068 159 H SER 24 HN SER 24 9.458 3.206 -7.160 160 HA SER 24 HA SER 24 10.810 5.611 -7.785 161 1HB SER 24 HB2 SER 24 10.246 6.960 -5.691 162 2HB SER 24 HB1 SER 24 8.853 6.834 -6.761 163 HG SER 24 HG SER 24 8.093 5.176 -5.603 164 H GLY 25 HN GLY 25 12.524 6.122 -6.199 165 1HA GLY 25 HA2 GLY 25 13.627 3.610 -5.170 166 2HA GLY 25 HA1 GLY 25 14.384 5.208 -5.032 167 H GLN 26 HN GLN 26 11.351 5.777 -4.115 168 HA GLN 26 HA GLN 26 12.034 5.376 -1.218 169 1HB GLN 26 HB2 GLN 26 10.006 7.287 -2.496 170 2HB GLN 26 HB1 GLN 26 10.479 7.272 -0.809 171 1HG GLN 26 HG2 GLN 26 12.003 8.901 -1.501 172 2HG GLN 26 HG1 GLN 26 12.991 7.513 -1.899 173 1HE2 GLN 26 HE2 GLN 26 12.525 10.365 -3.148 174 2HE2 GLN 26 HE2 GLN 26 12.371 10.022 -4.802 175 H CYS 27 HN CYS 27 9.987 4.121 -3.668 176 HA CYS 27 HA CYS 27 7.692 3.459 -2.070 177 1HB CYS 27 HB2 CYS 27 7.636 3.229 -4.497 178 2HB CYS 27 HB1 CYS 27 8.943 2.065 -4.475 179 H CYS 28 HN CYS 28 10.692 1.639 -2.728 180 HA CYS 28 HA CYS 28 9.880 -0.464 -0.901 181 1HB CYS 28 HB2 CYS 28 12.519 0.167 -2.262 182 2HB CYS 28 HB1 CYS 28 12.252 -1.239 -1.244 183 H ASP 29 HN ASP 29 11.473 2.519 -0.325 184 HA ASP 29 HA ASP 29 12.469 1.519 2.280 185 1HB ASP 29 HB2 ASP 29 13.795 3.165 0.693 186 2HB ASP 29 HB1 ASP 29 12.682 4.386 1.299 187 H GLY 30 HN GLY 30 10.115 3.729 0.951 188 1HA GLY 30 HA2 GLY 30 9.174 4.741 3.489 189 2HA GLY 30 HA1 GLY 30 8.359 4.920 1.931 190 H VAL 31 HN VAL 31 8.108 2.119 1.283 191 HA VAL 31 HA VAL 31 5.826 1.485 2.986 192 HB VAL 31 HB VAL 31 7.090 0.314 0.471 193 1HG1 VAL 31 HG1 VAL 31 5.181 -1.041 0.088 194 2HG1 VAL 31 HG1 VAL 31 4.563 -0.651 1.720 195 3HG1 VAL 31 HG1 VAL 31 6.085 -1.577 1.537 196 1HG2 VAL 31 HG2 VAL 31 5.915 2.464 0.287 197 2HG2 VAL 31 HG2 VAL 31 4.475 1.747 1.063 198 3HG2 VAL 31 HG2 VAL 31 5.020 1.161 -0.539 199 H LYS 32 HN LYS 32 9.029 -0.039 2.362 200 HA LYS 32 HA LYS 32 8.752 -2.351 3.908 201 1HB LYS 32 HB2 LYS 32 10.627 -1.739 2.458 202 2HB LYS 32 HB1 LYS 32 11.042 -0.406 3.504 203 1HG LYS 32 HG2 LYS 32 11.699 -2.090 5.248 204 2HG LYS 32 HG1 LYS 32 11.300 -3.359 4.103 205 1HD LYS 32 HD2 LYS 32 13.651 -3.003 3.730 206 2HD LYS 32 HD1 LYS 32 12.871 -2.142 2.418 207 1HE LYS 32 HE2 LYS 32 13.032 -0.067 4.190 208 2HE LYS 32 HE1 LYS 32 14.319 -1.044 4.855 209 1HZ LYS 32 HZ1 LYS 32 15.679 -0.375 3.206 210 2HZ LYS 32 HZ2 LYS 32 14.497 0.720 2.785 211 3HZ LYS 32 HZ3 LYS 32 14.558 -0.780 1.991 212 H ASN 33 HN ASN 33 9.659 0.881 4.801 213 HA ASN 33 HA ASN 33 10.055 0.456 7.598 214 1HB ASN 33 HB2 ASN 33 9.523 2.874 5.811 215 2HB ASN 33 HB1 ASN 33 9.122 3.118 7.477 216 1HD2 ASN 33 HD2 ASN 33 11.699 3.015 5.283 217 2HD2 ASN 33 HD2 ASN 33 12.970 3.095 6.411 218 H LEU 34 HN LEU 34 7.247 1.861 6.022 219 HA LEU 34 HA LEU 34 5.495 2.045 8.164 220 1HB LEU 34 HB2 LEU 34 5.039 2.876 5.892 221 2HB LEU 34 HB1 LEU 34 4.994 1.243 5.281 222 HG LEU 34 HG LEU 34 3.014 0.885 6.981 223 1HD1 LEU 34 HD1 LEU 34 1.722 2.872 7.416 224 2HD1 LEU 34 HD1 LEU 34 3.026 3.894 6.733 225 3HD1 LEU 34 HD1 LEU 34 3.320 2.931 8.210 226 1HD2 LEU 34 HD2 LEU 34 1.433 1.649 5.314 227 2HD2 LEU 34 HD2 LEU 34 2.795 0.748 4.602 228 3HD2 LEU 34 HD2 LEU 34 2.740 2.538 4.482 229 H HIS 35 HN HIS 35 5.818 -0.691 5.969 230 HA HIS 35 HA HIS 35 3.969 -2.444 7.157 231 1HB HIS 35 HB2 HIS 35 5.316 -2.655 4.952 232 2HB HIS 35 HB1 HIS 35 6.618 -3.323 5.914 233 HD1 HIS 35 HD1 HIS 35 6.115 -5.508 4.482 234 HD2 HIS 35 HD2 HIS 35 3.125 -4.589 7.103 235 HE1 HIS 35 HE1 HIS 35 4.718 -7.522 4.666 236 H ASN 36 HN ASN 36 7.471 -2.276 7.708 237 HA ASN 36 HA ASN 36 7.622 -4.197 9.794 238 1HB ASN 36 HB2 ASN 36 9.586 -2.869 8.496 239 2HB ASN 36 HB1 ASN 36 9.309 -1.692 9.735 240 1HD2 ASN 36 HD2 ASN 36 10.569 -1.937 11.571 241 2HD2 ASN 36 HD2 ASN 36 11.183 -3.429 12.111 242 H GLN 37 HN GLN 37 6.824 -0.781 9.838 243 HA GLN 37 HA GLN 37 6.866 -0.632 12.746 244 1HB GLN 37 HB2 GLN 37 5.929 1.283 10.576 245 2HB GLN 37 HB1 GLN 37 5.864 1.682 12.277 246 1HG GLN 37 HG2 GLN 37 8.342 1.279 12.457 247 2HG GLN 37 HG1 GLN 37 8.403 0.996 10.727 248 1HE2 GLN 37 HE2 GLN 37 8.910 2.877 9.573 249 2HE2 GLN 37 HE2 GLN 37 8.557 4.456 10.089 250 H ALA 38 HN ALA 38 5.340 -2.554 12.894 251 HA ALA 38 HA ALA 38 2.642 -1.439 13.434 252 1HB ALA 38 HB1 ALA 38 1.559 -3.322 12.243 253 2HB ALA 38 HB2 ALA 38 3.178 -3.891 11.723 254 3HB ALA 38 HB3 ALA 38 2.557 -2.316 11.152 255 H ARG 39 HN ARG 39 3.011 -1.716 15.619 256 HA ARG 39 HA ARG 39 3.686 -4.441 16.602 257 1HB ARG 39 HB2 ARG 39 4.613 -2.129 17.443 258 2HB ARG 39 HB1 ARG 39 3.133 -2.043 18.369 259 1HG ARG 39 HG2 ARG 39 3.570 -4.240 19.419 260 2HG ARG 39 HG1 ARG 39 5.075 -4.387 18.532 261 1HD ARG 39 HD2 ARG 39 5.937 -2.309 19.664 262 2HD ARG 39 HD1 ARG 39 4.430 -2.201 20.571 263 HE ARG 39 HE ARG 39 5.024 -4.435 21.603 264 1HH1 ARG 39 HH2 ARG 39 7.144 -5.265 19.904 265 2HH1 ARG 39 HH2 ARG 39 8.603 -4.886 20.748 266 1HH2 ARG 39 HH1 ARG 39 6.779 -2.579 22.775 267 2HH2 ARG 39 HH1 ARG 39 8.378 -3.184 22.535 268 H SER 40 HN SER 40 0.961 -2.532 15.959 269 HA SER 40 HA SER 40 -0.711 -4.473 17.532 270 1HB SER 40 HB2 SER 40 -1.016 -1.429 17.519 271 2HB SER 40 HB1 SER 40 -2.314 -2.509 18.048 272 HG SER 40 HG SER 40 0.021 -1.887 19.334 273 H GLN 41 HN GLN 41 -2.824 -4.857 16.703 274 HA GLN 41 HA GLN 41 -3.022 -5.115 13.920 275 1HB GLN 41 HB2 GLN 41 -4.574 -6.308 15.524 276 2HB GLN 41 HB1 GLN 41 -5.361 -4.777 15.906 277 1HG GLN 41 HG2 GLN 41 -6.255 -4.562 13.635 278 2HG GLN 41 HG1 GLN 41 -5.288 -5.905 13.064 279 1HE2 GLN 41 HE2 GLN 41 -6.409 -7.051 15.963 280 2HE2 GLN 41 HE2 GLN 41 -7.860 -7.755 15.430 281 H SER 42 HN SER 42 -3.893 -2.365 15.900 282 HA SER 42 HA SER 42 -5.329 -0.903 13.950 283 1HB SER 42 HB2 SER 42 -3.607 0.169 16.233 284 2HB SER 42 HB1 SER 42 -4.976 1.002 15.471 285 HG SER 42 HG SER 42 -6.275 -0.210 16.618 286 H ASP 43 HN ASP 43 -1.817 -1.172 14.452 287 HA ASP 43 HA ASP 43 -1.323 1.098 12.752 288 1HB ASP 43 HB2 ASP 43 0.361 -0.301 14.515 289 2HB ASP 43 HB1 ASP 43 0.864 -0.980 13.013 290 H ARG 44 HN ARG 44 -1.721 -2.262 12.132 291 HA ARG 44 HA ARG 44 -0.887 -2.022 9.304 292 1HB ARG 44 HB2 ARG 44 -0.887 -4.212 10.752 293 2HB ARG 44 HB1 ARG 44 -2.616 -4.259 10.457 294 1HG ARG 44 HG2 ARG 44 -1.779 -3.879 7.894 295 2HG ARG 44 HG1 ARG 44 -0.315 -4.600 8.534 296 1HD ARG 44 HD2 ARG 44 -1.774 -6.360 7.629 297 2HD ARG 44 HD1 ARG 44 -1.643 -6.521 9.382 298 HE ARG 44 HE ARG 44 -3.968 -4.975 8.234 299 1HH1 ARG 44 HH2 ARG 44 -3.265 -8.212 8.777 300 2HH1 ARG 44 HH2 ARG 44 -4.575 -8.462 9.880 301 1HH2 ARG 44 HH1 ARG 44 -5.278 -5.068 10.279 302 2HH2 ARG 44 HH1 ARG 44 -5.707 -6.727 10.656 303 H GLN 45 HN GLN 45 -3.958 -2.343 11.075 304 HA GLN 45 HA GLN 45 -5.742 -2.189 8.884 305 1HB GLN 45 HB2 GLN 45 -6.037 -2.540 11.570 306 2HB GLN 45 HB1 GLN 45 -6.360 -0.828 11.511 307 1HG GLN 45 HG2 GLN 45 -8.462 -1.151 10.723 308 2HG GLN 45 HG1 GLN 45 -7.900 -2.169 9.409 309 1HE2 GLN 45 HE2 GLN 45 -7.869 -4.388 9.730 310 2HE2 GLN 45 HE2 GLN 45 -8.567 -5.161 11.114 311 H SER 46 HN SER 46 -4.118 0.367 10.727 312 HA SER 46 HA SER 46 -5.475 2.589 9.609 313 1HB SER 46 HB2 SER 46 -2.695 2.183 10.761 314 2HB SER 46 HB1 SER 46 -3.196 3.780 10.179 315 HG SER 46 HG SER 46 -4.012 3.889 12.099 316 H ALA 47 HN ALA 47 -2.285 1.326 8.679 317 HA ALA 47 HA ALA 47 -2.063 2.895 6.340 318 1HB ALA 47 HB1 ALA 47 -1.000 0.107 7.009 319 2HB ALA 47 HB2 ALA 47 -0.155 1.639 7.357 320 3HB ALA 47 HB3 ALA 47 -0.417 1.105 5.656 321 H CYS 48 HN CYS 48 -3.538 -0.246 6.793 322 HA CYS 48 HA CYS 48 -4.027 -0.861 4.078 323 1HB CYS 48 HB2 CYS 48 -4.419 -2.158 6.343 324 2HB CYS 48 HB1 CYS 48 -6.010 -1.462 6.253 325 H ASN 49 HN ASN 49 -5.790 1.209 6.296 326 HA ASN 49 HA ASN 49 -8.051 1.690 4.579 327 1HB ASN 49 HB2 ASN 49 -6.977 2.921 7.113 328 2HB ASN 49 HB1 ASN 49 -7.877 4.032 6.108 329 1HD2 ASN 49 HD2 ASN 49 -8.124 0.906 7.485 330 2HD2 ASN 49 HD2 ASN 49 -9.841 0.978 7.428 331 H CYS 50 HN CYS 50 -5.063 3.432 5.048 332 HA CYS 50 HA CYS 50 -5.446 5.634 3.382 333 1HB CYS 50 HB2 CYS 50 -2.893 3.995 3.626 334 2HB CYS 50 HB1 CYS 50 -3.005 5.668 3.153 335 H LEU 51 HN LEU 51 -3.984 2.616 2.289 336 HA LEU 51 HA LEU 51 -3.973 3.349 -0.487 337 1HB LEU 51 HB2 LEU 51 -4.078 0.561 0.705 338 2HB LEU 51 HB1 LEU 51 -3.735 0.900 -0.966 339 HG LEU 51 HG LEU 51 -1.765 2.376 -0.016 340 1HD1 LEU 51 HD1 LEU 51 -2.486 0.648 2.330 341 2HD1 LEU 51 HD1 LEU 51 -2.314 2.424 2.297 342 3HD1 LEU 51 HD1 LEU 51 -0.868 1.415 2.125 343 1HD2 LEU 51 HD2 LEU 51 -1.689 -0.627 0.184 344 2HD2 LEU 51 HD2 LEU 51 -0.251 0.436 0.127 345 3HD2 LEU 51 HD2 LEU 51 -1.359 0.349 -1.274 346 H LYS 52 HN LYS 52 -6.379 1.576 1.462 347 HA LYS 52 HA LYS 52 -7.979 0.943 -0.821 348 1HB LYS 52 HB2 LYS 52 -7.937 0.006 1.723 349 2HB LYS 52 HB1 LYS 52 -9.183 1.220 1.948 350 1HG LYS 52 HG2 LYS 52 -10.727 0.188 0.547 351 2HG LYS 52 HG1 LYS 52 -9.529 -0.483 -0.527 352 1HD LYS 52 HD2 LYS 52 -9.977 -1.541 2.293 353 2HD LYS 52 HD1 LYS 52 -10.907 -2.133 0.937 354 1HE LYS 52 HE2 LYS 52 -8.834 -2.960 -0.187 355 2HE LYS 52 HE1 LYS 52 -7.831 -2.253 1.060 356 1HZ LYS 52 HZ1 LYS 52 -8.906 -4.870 1.093 357 2HZ LYS 52 HZ2 LYS 52 -9.736 -3.962 2.283 358 3HZ LYS 52 HZ3 LYS 52 -8.068 -4.048 2.284 359 H GLY 53 HN GLY 53 -8.373 3.599 1.560 360 1HA GLY 53 HA2 GLY 53 -10.659 4.791 0.376 361 2HA GLY 53 HA1 GLY 53 -9.443 5.676 1.315 362 H ILE 54 HN ILE 54 -7.196 5.156 -0.291 363 HA ILE 54 HA ILE 54 -7.408 7.180 -2.282 364 HB ILE 54 HB ILE 54 -5.367 5.036 -1.586 365 1HG1 ILE 54 HG1 ILE 54 -5.192 8.080 -1.359 366 2HG1 ILE 54 HG1 ILE 54 -5.685 7.021 -0.067 367 1HG2 ILE 54 HG2 ILE 54 -3.752 6.050 -3.098 368 2HG2 ILE 54 HG2 ILE 54 -5.042 7.119 -3.742 369 3HG2 ILE 54 HG2 ILE 54 -5.139 5.353 -3.979 370 1HD1 ILE 54 HD1 ILE 54 -2.922 6.915 -1.421 371 2HD1 ILE 54 HD1 ILE 54 -3.487 5.861 -0.090 372 3HD1 ILE 54 HD1 ILE 54 -3.287 7.612 0.177 373 H ALA 55 HN ALA 55 -6.682 3.759 -2.856 374 HA ALA 55 HA ALA 55 -6.961 3.645 -5.587 375 1HB ALA 55 HB1 ALA 55 -6.272 1.777 -4.140 376 2HB ALA 55 HB2 ALA 55 -7.580 1.240 -5.232 377 3HB ALA 55 HB3 ALA 55 -7.953 1.643 -3.532 378 H ARG 56 HN ARG 56 -9.551 3.486 -3.193 379 HA ARG 56 HA ARG 56 -11.737 2.937 -4.834 380 1HB ARG 56 HB2 ARG 56 -11.752 3.018 -2.332 381 2HB ARG 56 HB1 ARG 56 -11.555 4.749 -2.379 382 1HG ARG 56 HG2 ARG 56 -13.917 3.753 -3.909 383 2HG ARG 56 HG1 ARG 56 -13.992 3.440 -2.195 384 1HD ARG 56 HD2 ARG 56 -15.083 5.596 -2.728 385 2HD ARG 56 HD1 ARG 56 -13.693 5.845 -1.675 386 HE ARG 56 HE ARG 56 -13.450 6.217 -4.646 387 1HH1 ARG 56 HH1 ARG 56 -11.252 6.826 -2.425 388 2HH1 ARG 56 HH1 ARG 56 -11.351 8.523 -2.383 389 1HH2 ARG 56 HH2 ARG 56 -14.373 8.541 -4.211 390 2HH2 ARG 56 HH2 ARG 56 -13.209 9.598 -3.505 391 H GLY 57 HN GLY 57 -10.047 5.957 -4.606 392 1HA GLY 57 HA2 GLY 57 -12.182 7.455 -6.005 393 2HA GLY 57 HA1 GLY 57 -10.624 8.105 -5.481 394 H ILE 58 HN ILE 58 -9.322 5.718 -6.768 395 HA ILE 58 HA ILE 58 -8.979 6.971 -9.407 396 HB ILE 58 HB ILE 58 -7.823 4.362 -8.312 397 1HG1 ILE 58 HG1 ILE 58 -6.736 7.229 -8.074 398 2HG1 ILE 58 HG1 ILE 58 -7.347 6.261 -6.755 399 1HG2 ILE 58 HG2 ILE 58 -6.771 6.245 -10.448 400 2HG2 ILE 58 HG2 ILE 58 -7.542 4.651 -10.728 401 3HG2 ILE 58 HG2 ILE 58 -5.982 4.738 -9.882 402 1HD1 ILE 58 HD1 ILE 58 -4.864 5.573 -8.383 403 2HD1 ILE 58 HD1 ILE 58 -5.544 4.606 -7.041 404 3HD1 ILE 58 HD1 ILE 58 -4.925 6.263 -6.741 405 H HIS 59 HN HIS 59 -9.768 6.159 -11.326 406 HA HIS 59 HA HIS 59 -11.828 4.003 -11.118 407 1HB HIS 59 HB2 HIS 59 -11.281 6.114 -13.280 408 2HB HIS 59 HB1 HIS 59 -12.352 4.760 -13.540 409 HD1 HIS 59 HD1 HIS 59 -12.261 7.383 -10.740 410 HD2 HIS 59 HD2 HIS 59 -14.880 5.516 -13.273 411 HE1 HIS 59 HE1 HIS 59 -14.481 8.302 -10.256 412 H ASN 60 HN ASN 60 -9.108 4.969 -13.214 413 HA ASN 60 HA ASN 60 -9.036 2.274 -14.411 414 1HB ASN 60 HB2 ASN 60 -8.646 4.341 -15.782 415 2HB ASN 60 HB1 ASN 60 -7.181 4.662 -14.873 416 1HD2 ASN 60 HD2 ASN 60 -5.316 3.369 -15.350 417 2HD2 ASN 60 HD2 ASN 60 -5.304 2.266 -16.648 418 H LEU 61 HN LEU 61 -8.597 1.380 -12.184 419 HA LEU 61 HA LEU 61 -5.834 1.756 -11.231 420 1HB LEU 61 HB2 LEU 61 -8.327 0.543 -10.184 421 2HB LEU 61 HB1 LEU 61 -6.925 -0.449 -9.831 422 HG LEU 61 HG LEU 61 -6.820 2.546 -9.440 423 1HD1 LEU 61 HD1 LEU 61 -8.765 1.688 -8.197 424 2HD1 LEU 61 HD1 LEU 61 -7.457 2.205 -7.113 425 3HD1 LEU 61 HD1 LEU 61 -7.720 0.453 -7.424 426 1HD2 LEU 61 HD2 LEU 61 -5.128 2.000 -7.847 427 2HD2 LEU 61 HD2 LEU 61 -4.719 1.237 -9.408 428 3HD2 LEU 61 HD2 LEU 61 -5.370 0.232 -8.093 429 H ASN 62 HN ASN 62 -4.119 0.442 -11.599 430 HA ASN 62 HA ASN 62 -4.619 -1.895 -13.397 431 1HB ASN 62 HB2 ASN 62 -2.931 -0.061 -14.152 432 2HB ASN 62 HB1 ASN 62 -1.953 -0.594 -12.787 433 1HD2 ASN 62 HD2 ASN 62 -0.156 -1.439 -13.975 434 2HD2 ASN 62 HD2 ASN 62 -0.326 -2.780 -14.990 435 H GLU 63 HN GLU 63 -4.591 -3.801 -12.423 436 HA GLU 63 HA GLU 63 -3.546 -4.181 -9.713 437 1HB GLU 63 HB2 GLU 63 -5.623 -5.416 -10.620 438 2HB GLU 63 HB1 GLU 63 -4.562 -6.336 -11.664 439 1HG GLU 63 HG2 GLU 63 -3.429 -7.363 -9.742 440 2HG GLU 63 HG1 GLU 63 -4.281 -6.337 -8.614 441 H ASP 64 HN ASP 64 -2.567 -5.000 -12.922 442 HA ASP 64 HA ASP 64 -0.466 -6.820 -12.455 443 1HB ASP 64 HB2 ASP 64 -1.059 -6.520 -14.690 444 2HB ASP 64 HB1 ASP 64 -1.125 -4.779 -14.597 445 H ASN 65 HN ASN 65 -0.254 -3.267 -12.433 446 HA ASN 65 HA ASN 65 2.563 -3.423 -11.677 447 1HB ASN 65 HB2 ASN 65 0.619 -1.144 -12.015 448 2HB ASN 65 HB1 ASN 65 2.141 -0.850 -11.193 449 1HD2 ASN 65 HD2 ASN 65 1.281 0.138 -13.738 450 2HD2 ASN 65 HD2 ASN 65 2.313 -0.375 -14.969 451 H ALA 66 HN ALA 66 -0.472 -2.580 -9.957 452 HA ALA 66 HA ALA 66 0.516 -2.014 -7.396 453 1HB ALA 66 HB1 ALA 66 -1.967 -2.083 -7.908 454 2HB ALA 66 HB2 ALA 66 -1.473 -2.996 -6.468 455 3HB ALA 66 HB3 ALA 66 -1.800 -3.864 -8.004 456 H ARG 67 HN ARG 67 -0.004 -5.190 -8.814 457 HA ARG 67 HA ARG 67 0.975 -6.591 -6.467 458 1HB ARG 67 HB2 ARG 67 -0.798 -7.311 -8.069 459 2HB ARG 67 HB1 ARG 67 0.415 -7.471 -9.315 460 1HG ARG 67 HG2 ARG 67 1.435 -9.306 -8.312 461 2HG ARG 67 HG1 ARG 67 0.767 -8.955 -6.721 462 1HD ARG 67 HD2 ARG 67 -1.495 -9.518 -7.444 463 2HD ARG 67 HD1 ARG 67 -0.984 -9.631 -9.127 464 HE ARG 67 HE ARG 67 -0.203 -11.612 -6.977 465 1HH1 ARG 67 HH2 ARG 67 -2.193 -11.347 -9.449 466 2HH1 ARG 67 HH2 ARG 67 -1.552 -12.544 -10.507 467 1HH2 ARG 67 HH1 ARG 67 1.381 -12.838 -8.472 468 2HH2 ARG 67 HH1 ARG 67 0.655 -13.440 -9.909 469 H SER 68 HN SER 68 2.402 -5.225 -9.282 470 HA SER 68 HA SER 68 4.834 -6.873 -9.075 471 1HB SER 68 HB2 SER 68 3.965 -4.613 -10.893 472 2HB SER 68 HB1 SER 68 5.578 -5.334 -10.988 473 HG SER 68 HG SER 68 3.116 -6.381 -11.512 474 H ILE 69 HN ILE 69 3.768 -4.280 -7.321 475 HA ILE 69 HA ILE 69 6.344 -2.885 -7.064 476 HB ILE 69 HB ILE 69 3.737 -2.732 -5.442 477 1HG1 ILE 69 HG1 ILE 69 4.868 -0.688 -7.317 478 2HG1 ILE 69 HG1 ILE 69 3.833 -1.988 -7.865 479 1HG2 ILE 69 HG2 ILE 69 4.673 -0.704 -4.443 480 2HG2 ILE 69 HG2 ILE 69 6.214 -0.989 -5.317 481 3HG2 ILE 69 HG2 ILE 69 5.681 -2.114 -4.042 482 1HD1 ILE 69 HD1 ILE 69 3.121 0.009 -5.667 483 2HD1 ILE 69 HD1 ILE 69 2.061 -1.292 -6.287 484 3HD1 ILE 69 HD1 ILE 69 2.597 0.056 -7.359 485 HA PRO 70 HA PRO 70 6.486 -5.071 -2.790 486 1HB PRO 70 HB2 PRO 70 4.900 -7.335 -2.437 487 2HB PRO 70 HB1 PRO 70 4.482 -5.709 -1.874 488 1HG PRO 70 HG2 PRO 70 3.555 -7.140 -4.418 489 2HG PRO 70 HG1 PRO 70 2.654 -6.149 -3.294 490 1HD PRO 70 HD2 PRO 70 3.525 -5.039 -5.584 491 2HD PRO 70 HD1 PRO 70 3.503 -4.128 -4.063 492 HA PRO 71 HA PRO 71 7.815 -9.388 -4.466 493 1HB PRO 71 HB2 PRO 71 7.861 -9.701 -7.232 494 2HB PRO 71 HB1 PRO 71 6.488 -10.190 -6.234 495 1HG PRO 71 HG2 PRO 71 6.874 -7.510 -7.708 496 2HG PRO 71 HG1 PRO 71 5.491 -8.603 -7.754 497 1HD PRO 71 HD2 PRO 71 5.403 -6.535 -6.111 498 2HD PRO 71 HD1 PRO 71 4.862 -8.123 -5.524 499 H LYS 72 HN LYS 72 8.643 -7.365 -7.251 500 HA LYS 72 HA LYS 72 11.397 -7.840 -7.255 501 1HB LYS 72 HB2 LYS 72 11.570 -5.395 -8.181 502 2HB LYS 72 HB1 LYS 72 10.727 -6.579 -9.162 503 1HG LYS 72 HG2 LYS 72 8.590 -5.657 -8.364 504 2HG LYS 72 HG1 LYS 72 9.391 -4.616 -7.218 505 1HD LYS 72 HD2 LYS 72 8.905 -3.083 -8.958 506 2HD LYS 72 HD1 LYS 72 10.560 -3.500 -9.274 507 1HE LYS 72 HE2 LYS 72 9.324 -3.389 -11.400 508 2HE LYS 72 HE1 LYS 72 9.845 -5.042 -11.118 509 1HZ LYS 72 HZ1 LYS 72 7.718 -5.673 -11.258 510 2HZ LYS 72 HZ2 LYS 72 7.150 -4.075 -11.428 511 3HZ LYS 72 HZ3 LYS 72 7.412 -4.748 -9.891 512 H CYS 73 HN CYS 73 9.633 -5.692 -5.215 513 HA CYS 73 HA CYS 73 11.847 -4.180 -4.180 514 1HB CYS 73 HB2 CYS 73 9.376 -3.733 -4.223 515 2HB CYS 73 HB1 CYS 73 9.196 -4.892 -2.990 516 H GLY 74 HN GLY 74 10.026 -6.821 -2.633 517 1HA GLY 74 HA2 GLY 74 11.283 -8.685 -1.578 518 2HA GLY 74 HA1 GLY 74 12.541 -7.544 -1.148 519 H VAL 75 HN VAL 75 9.290 -6.482 -0.704 520 HA VAL 75 HA VAL 75 9.564 -6.962 2.221 521 HB VAL 75 HB VAL 75 8.200 -4.895 2.439 522 1HG1 VAL 75 HG1 VAL 75 10.622 -4.624 2.362 523 2HG1 VAL 75 HG1 VAL 75 9.810 -3.260 1.525 524 3HG1 VAL 75 HG1 VAL 75 10.573 -4.556 0.574 525 1HG2 VAL 75 HG2 VAL 75 7.713 -3.454 0.550 526 2HG2 VAL 75 HG2 VAL 75 6.878 -5.023 0.383 527 3HG2 VAL 75 HG2 VAL 75 8.361 -4.683 -0.567 528 H ASN 76 HN ASN 76 7.439 -7.174 -0.485 529 HA ASN 76 HA ASN 76 5.398 -8.335 -0.708 530 1HB ASN 76 HB2 ASN 76 6.962 -10.086 0.321 531 2HB ASN 76 HB1 ASN 76 6.170 -9.753 1.841 532 1HD2 ASN 76 HD2 ASN 76 3.983 -10.248 2.154 533 2HD2 ASN 76 HD2 ASN 76 3.112 -11.259 1.091 534 H LEU 77 HN LEU 77 3.996 -6.519 -0.230 535 HA LEU 77 HA LEU 77 3.220 -6.147 2.575 536 1HB LEU 77 HB2 LEU 77 2.897 -4.526 0.099 537 2HB LEU 77 HB1 LEU 77 1.415 -4.607 0.980 538 HG LEU 77 HG LEU 77 2.506 -3.935 3.030 539 1HD1 LEU 77 HD1 LEU 77 4.898 -3.456 1.231 540 2HD1 LEU 77 HD1 LEU 77 4.803 -4.664 2.548 541 3HD1 LEU 77 HD1 LEU 77 4.771 -2.918 2.930 542 1HD2 LEU 77 HD2 LEU 77 2.802 -1.575 2.498 543 2HD2 LEU 77 HD2 LEU 77 1.419 -2.281 1.627 544 3HD2 LEU 77 HD2 LEU 77 2.957 -1.979 0.758 545 HA PRO 78 HA PRO 78 -0.430 -8.580 2.130 546 1HB PRO 78 HB2 PRO 78 -1.709 -7.288 4.427 547 2HB PRO 78 HB1 PRO 78 -0.912 -8.854 4.356 548 1HG PRO 78 HG2 PRO 78 0.212 -6.762 5.781 549 2HG PRO 78 HG1 PRO 78 1.222 -7.963 4.980 550 1HD PRO 78 HD2 PRO 78 0.358 -5.249 3.829 551 2HD PRO 78 HD1 PRO 78 1.996 -5.913 4.021 552 H TYR 79 HN TYR 79 -0.373 -5.303 1.499 553 HA TYR 79 HA TYR 79 -2.833 -5.455 0.029 554 1HB TYR 79 HB2 TYR 79 -4.025 -3.557 1.315 555 2HB TYR 79 HB1 TYR 79 -3.843 -5.013 2.290 556 HD1 TYR 79 HD1 TYR 79 -2.484 -1.674 1.620 557 HD2 TYR 79 HD2 TYR 79 -2.318 -5.018 4.216 558 HE1 TYR 79 HE1 TYR 79 -1.065 -0.414 3.175 559 HE2 TYR 79 HE2 TYR 79 -0.913 -3.734 5.777 560 HH TYR 79 HH TYR 79 0.270 -1.752 6.048 561 H THR 80 HN THR 80 -2.782 -3.918 -1.652 562 HA THR 80 HA THR 80 -0.806 -1.684 -1.478 563 HB THR 80 HB THR 80 0.313 -3.612 -2.622 564 HG1 THR 80 HG1 THR 80 1.061 -2.068 -3.831 565 1HG2 THR 80 HG2 THR 80 -1.725 -4.763 -3.478 566 2HG2 THR 80 HG2 THR 80 -0.554 -4.380 -4.774 567 3HG2 THR 80 HG2 THR 80 -2.028 -3.379 -4.558 568 H ILE 81 HN ILE 81 -1.254 -0.770 -3.990 569 HA ILE 81 HA ILE 81 -3.862 0.522 -3.619 570 HB ILE 81 HB ILE 81 -2.049 0.766 -6.045 571 1HG1 ILE 81 HG1 ILE 81 -0.548 0.984 -4.000 572 2HG1 ILE 81 HG1 ILE 81 -0.731 2.508 -4.811 573 1HG2 ILE 81 HG2 ILE 81 -3.793 2.770 -4.612 574 2HG2 ILE 81 HG2 ILE 81 -4.171 1.891 -6.121 575 3HG2 ILE 81 HG2 ILE 81 -2.813 3.043 -6.098 576 1HD1 ILE 81 HD1 ILE 81 -2.334 1.694 -2.339 577 2HD1 ILE 81 HD1 ILE 81 -2.401 3.273 -3.148 578 3HD1 ILE 81 HD1 ILE 81 -0.892 2.768 -2.347 579 H SER 82 HN SER 82 -4.927 -1.648 -3.676 580 HA SER 82 HA SER 82 -6.254 -2.034 -6.230 581 1HB SER 82 HB2 SER 82 -4.181 -3.433 -6.660 582 2HB SER 82 HB1 SER 82 -4.507 -4.345 -5.173 583 HG SER 82 HG SER 82 -5.563 -4.835 -7.553 584 H LEU 83 HN LEU 83 -8.145 -3.343 -5.972 585 HA LEU 83 HA LEU 83 -8.899 -3.686 -3.088 586 1HB LEU 83 HB2 LEU 83 -10.531 -3.261 -5.636 587 2HB LEU 83 HB1 LEU 83 -11.268 -3.904 -4.189 588 HG LEU 83 HG LEU 83 -10.402 -1.867 -2.900 589 1HD1 LEU 83 HD1 LEU 83 -8.629 -1.170 -4.435 590 2HD1 LEU 83 HD1 LEU 83 -9.826 0.122 -4.169 591 3HD1 LEU 83 HD1 LEU 83 -9.866 -0.828 -5.688 592 1HD2 LEU 83 HD2 LEU 83 -12.123 -0.354 -3.730 593 2HD2 LEU 83 HD2 LEU 83 -12.721 -2.031 -3.658 594 3HD2 LEU 83 HD2 LEU 83 -12.253 -1.321 -5.232 595 H ASN 84 HN ASN 84 -7.229 -5.518 -3.781 596 HA ASN 84 HA ASN 84 -8.876 -8.016 -4.145 597 1HB ASN 84 HB2 ASN 84 -7.419 -7.134 -6.196 598 2HB ASN 84 HB1 ASN 84 -6.059 -7.715 -5.272 599 1HD2 ASN 84 HD2 ASN 84 -7.329 -8.652 -7.914 600 2HD2 ASN 84 HD2 ASN 84 -7.510 -10.316 -7.675 601 H ILE 85 HN ILE 85 -7.869 -6.686 -1.694 602 HA ILE 85 HA ILE 85 -6.458 -9.022 -0.574 603 HB ILE 85 HB ILE 85 -4.974 -7.027 0.646 604 1HG1 ILE 85 HG1 ILE 85 -4.192 -5.457 -1.263 605 2HG1 ILE 85 HG1 ILE 85 -5.520 -6.021 -2.189 606 1HG2 ILE 85 HG2 ILE 85 -3.135 -7.620 -0.841 607 2HG2 ILE 85 HG2 ILE 85 -4.317 -8.392 -1.947 608 3HG2 ILE 85 HG2 ILE 85 -4.082 -9.026 -0.290 609 1HD1 ILE 85 HD1 ILE 85 -5.794 -4.680 0.526 610 2HD1 ILE 85 HD1 ILE 85 -7.137 -5.180 -0.542 611 3HD1 ILE 85 HD1 ILE 85 -6.026 -3.884 -1.063 612 H ASP 86 HN ASP 86 -6.521 -9.165 1.768 613 HA ASP 86 HA ASP 86 -8.505 -7.395 3.059 614 1HB ASP 86 HB2 ASP 86 -8.439 -10.399 2.888 615 2HB ASP 86 HB1 ASP 86 -9.269 -9.564 4.171 616 H CYS 87 HN CYS 87 -7.016 -6.320 4.313 617 HA CYS 87 HA CYS 87 -4.872 -7.444 5.766 618 1HB CYS 87 HB2 CYS 87 -6.644 -5.071 6.207 619 2HB CYS 87 HB1 CYS 87 -5.449 -5.448 7.396 620 H SER 88 HN SER 88 -8.040 -6.621 7.083 621 HA SER 88 HA SER 88 -8.548 -9.040 8.473 622 1HB SER 88 HB2 SER 88 -7.678 -6.816 10.454 623 2HB SER 88 HB1 SER 88 -8.288 -8.404 10.818 624 HG SER 88 HG SER 88 -6.346 -8.979 9.354 625 H ARG 89 HN ARG 89 -8.810 -5.515 8.948 626 HA ARG 89 HA ARG 89 -11.685 -5.648 8.520 627 1HB ARG 89 HB2 ARG 89 -10.991 -6.245 11.091 628 2HB ARG 89 HB1 ARG 89 -10.862 -4.503 11.236 629 1HG ARG 89 HG2 ARG 89 -13.349 -5.667 9.978 630 2HG ARG 89 HG1 ARG 89 -13.164 -5.846 11.698 631 1HD ARG 89 HD2 ARG 89 -13.014 -3.122 10.295 632 2HD ARG 89 HD1 ARG 89 -14.484 -3.758 10.971 633 HE ARG 89 HE ARG 89 -11.989 -3.229 12.581 634 1HH1 ARG 89 HH1 ARG 89 -14.603 -4.841 13.106 635 2HH1 ARG 89 HH1 ARG 89 -15.420 -3.864 14.277 636 1HH2 ARG 89 HH2 ARG 89 -13.123 -1.209 13.576 637 2HH2 ARG 89 HH2 ARG 89 -14.480 -1.607 14.558 638 H VAL 90 HN VAL 90 -9.629 -4.480 7.178 639 HA VAL 90 HA VAL 90 -9.164 -1.748 7.814 640 HB VAL 90 HB VAL 90 -7.550 -2.795 6.424 641 1HG1 VAL 90 HG1 VAL 90 -8.949 -4.588 5.464 642 2HG1 VAL 90 HG1 VAL 90 -7.989 -3.694 4.253 643 3HG1 VAL 90 HG1 VAL 90 -9.745 -3.363 4.440 644 1HG2 VAL 90 HG2 VAL 90 -8.009 -0.512 5.951 645 2HG2 VAL 90 HG2 VAL 90 -9.261 -0.959 4.755 646 3HG2 VAL 90 HG2 VAL 90 -7.548 -1.374 4.449 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 -1.772 6.567 15.089 2 2H ILE 1 HT2 ILE 1 -1.940 5.026 14.378 3 3H ILE 1 HT3 ILE 1 -3.287 6.047 14.532 4 HA ILE 1 HA ILE 1 -1.406 7.496 13.125 5 HB ILE 1 HB ILE 1 -1.921 4.747 11.840 6 1HG1 ILE 1 HG1 ILE 1 0.567 4.414 11.738 7 2HG1 ILE 1 HG1 ILE 1 0.802 5.775 12.800 8 1HG2 ILE 1 HG2 ILE 1 -0.459 5.508 10.092 9 2HG2 ILE 1 HG2 ILE 1 -0.263 7.091 10.909 10 3HG2 ILE 1 HG2 ILE 1 -1.858 6.590 10.257 11 1HD1 ILE 1 HD1 ILE 1 -0.297 4.529 14.680 12 2HD1 ILE 1 HD1 ILE 1 0.993 3.572 13.946 13 3HD1 ILE 1 HD1 ILE 1 -0.699 3.203 13.522 14 H ASP 2 HN ASP 2 -2.985 8.894 12.353 15 HA ASP 2 HA ASP 2 -5.638 7.794 11.629 16 1HB ASP 2 HB2 ASP 2 -4.775 10.710 11.913 17 2HB ASP 2 HB1 ASP 2 -6.388 10.047 12.093 18 H CYS 3 HN CYS 3 -3.686 7.083 9.914 19 HA CYS 3 HA CYS 3 -2.964 7.133 7.658 20 1HB CYS 3 HB2 CYS 3 -5.482 6.714 7.646 21 2HB CYS 3 HB1 CYS 3 -5.656 8.411 7.238 22 H GLY 4 HN GLY 4 -1.693 9.053 8.825 23 1HA GLY 4 HA2 GLY 4 -2.050 11.537 7.167 24 2HA GLY 4 HA1 GLY 4 -1.265 11.523 8.740 25 H HIS 5 HN HIS 5 0.673 9.979 8.805 26 HA HIS 5 HA HIS 5 2.559 10.792 6.762 27 1HB HIS 5 HB2 HIS 5 3.041 10.450 9.226 28 2HB HIS 5 HB1 HIS 5 2.805 8.727 9.005 29 HD1 HIS 5 HD1 HIS 5 4.727 7.494 7.969 30 HD2 HIS 5 HD2 HIS 5 5.418 11.512 8.006 31 HE1 HIS 5 HE1 HIS 5 7.118 7.807 7.354 32 H VAL 6 HN VAL 6 0.671 7.949 7.350 33 HA VAL 6 HA VAL 6 1.865 5.988 5.725 34 HB VAL 6 HB VAL 6 -1.058 6.625 6.249 35 1HG1 VAL 6 HG1 VAL 6 0.062 4.158 4.896 36 2HG1 VAL 6 HG1 VAL 6 -0.968 5.437 4.163 37 3HG1 VAL 6 HG1 VAL 6 -1.631 4.442 5.446 38 1HG2 VAL 6 HG2 VAL 6 0.316 5.905 8.183 39 2HG2 VAL 6 HG2 VAL 6 0.802 4.449 7.273 40 3HG2 VAL 6 HG2 VAL 6 -0.913 4.683 7.737 41 H ASP 7 HN ASP 7 -0.148 8.728 4.806 42 HA ASP 7 HA ASP 7 -0.700 8.014 2.156 43 1HB ASP 7 HB2 ASP 7 -0.366 10.679 3.595 44 2HB ASP 7 HB1 ASP 7 -0.765 10.633 1.883 45 H SER 8 HN SER 8 1.939 10.173 3.161 46 HA SER 8 HA SER 8 3.295 10.204 0.640 47 1HB SER 8 HB2 SER 8 3.825 11.727 2.703 48 2HB SER 8 HB1 SER 8 4.763 10.365 3.328 49 HG SER 8 HG SER 8 6.307 11.005 1.976 50 H LEU 9 HN LEU 9 3.172 7.638 3.058 51 HA LEU 9 HA LEU 9 5.548 6.330 2.123 52 1HB LEU 9 HB2 LEU 9 3.266 5.765 4.004 53 2HB LEU 9 HB1 LEU 9 4.446 4.587 3.621 54 HG LEU 9 HG LEU 9 5.260 7.336 4.665 55 1HD1 LEU 9 HD1 LEU 9 3.725 6.441 6.269 56 2HD1 LEU 9 HD1 LEU 9 5.405 6.255 6.883 57 3HD1 LEU 9 HD1 LEU 9 4.544 4.846 6.241 58 1HD2 LEU 9 HD2 LEU 9 6.567 4.604 4.855 59 2HD2 LEU 9 HD2 LEU 9 7.258 6.154 5.429 60 3HD2 LEU 9 HD2 LEU 9 7.020 5.879 3.683 61 H VAL 10 HN VAL 10 2.055 5.837 1.747 62 HA VAL 10 HA VAL 10 2.532 3.566 -0.100 63 HB VAL 10 HB VAL 10 0.037 3.379 -0.151 64 1HG1 VAL 10 HG1 VAL 10 1.154 3.702 2.656 65 2HG1 VAL 10 HG1 VAL 10 1.269 2.222 1.653 66 3HG1 VAL 10 HG1 VAL 10 -0.326 2.799 2.224 67 1HG2 VAL 10 HG2 VAL 10 -0.628 5.630 -0.028 68 2HG2 VAL 10 HG2 VAL 10 -0.042 5.759 1.653 69 3HG2 VAL 10 HG2 VAL 10 -1.396 4.659 1.267 70 H ARG 11 HN ARG 11 1.746 6.939 -0.332 71 HA ARG 11 HA ARG 11 0.453 6.905 -2.836 72 1HB ARG 11 HB2 ARG 11 2.116 9.044 -1.439 73 2HB ARG 11 HB1 ARG 11 1.161 9.348 -2.869 74 1HG ARG 11 HG2 ARG 11 -0.180 8.006 -0.512 75 2HG ARG 11 HG1 ARG 11 0.158 9.711 -0.367 76 1HD ARG 11 HD2 ARG 11 -1.489 8.486 -2.595 77 2HD ARG 11 HD1 ARG 11 -2.144 8.967 -1.040 78 HE ARG 11 HE ARG 11 -1.122 10.764 -3.201 79 1HH1 ARG 11 HH1 ARG 11 -3.620 10.889 -1.273 80 2HH1 ARG 11 HH1 ARG 11 -3.330 12.397 -0.495 81 1HH2 ARG 11 HH2 ARG 11 0.036 12.424 -1.607 82 2HH2 ARG 11 HH2 ARG 11 -1.106 13.290 -0.660 83 HA PRO 12 HA PRO 12 4.804 7.610 -4.834 84 1HB PRO 12 HB2 PRO 12 6.849 6.138 -3.652 85 2HB PRO 12 HB1 PRO 12 6.546 7.838 -3.276 86 1HG PRO 12 HG2 PRO 12 5.443 5.371 -1.801 87 2HG PRO 12 HG1 PRO 12 6.329 6.733 -1.110 88 1HD PRO 12 HD2 PRO 12 3.727 6.846 -0.969 89 2HD PRO 12 HD1 PRO 12 4.544 8.283 -1.598 90 H CYS 13 HN CYS 13 3.723 4.425 -3.376 91 HA CYS 13 HA CYS 13 4.818 2.972 -5.542 92 1HB CYS 13 HB2 CYS 13 2.860 2.421 -3.347 93 2HB CYS 13 HB1 CYS 13 3.366 1.360 -4.550 94 H LEU 14 HN LEU 14 1.794 4.582 -4.873 95 HA LEU 14 HA LEU 14 0.207 3.241 -6.836 96 1HB LEU 14 HB2 LEU 14 0.065 6.039 -5.683 97 2HB LEU 14 HB1 LEU 14 -1.125 5.457 -6.827 98 HG LEU 14 HG LEU 14 -0.509 4.017 -4.195 99 1HD1 LEU 14 HD1 LEU 14 -2.616 5.028 -3.426 100 2HD1 LEU 14 HD1 LEU 14 -2.772 5.858 -5.015 101 3HD1 LEU 14 HD1 LEU 14 -1.454 6.297 -3.893 102 1HD2 LEU 14 HD2 LEU 14 -2.677 2.942 -4.638 103 2HD2 LEU 14 HD2 LEU 14 -1.521 2.574 -5.938 104 3HD2 LEU 14 HD2 LEU 14 -2.786 3.812 -6.204 105 H SER 15 HN SER 15 2.536 5.753 -7.159 106 HA SER 15 HA SER 15 1.893 6.837 -9.701 107 1HB SER 15 HB2 SER 15 3.788 7.658 -8.209 108 2HB SER 15 HB1 SER 15 4.741 6.249 -8.673 109 HG SER 15 HG SER 15 3.995 7.115 -10.963 110 H TYR 16 HN TYR 16 3.088 3.698 -8.913 111 HA TYR 16 HA TYR 16 3.750 3.061 -11.738 112 1HB TYR 16 HB2 TYR 16 5.284 2.321 -10.030 113 2HB TYR 16 HB1 TYR 16 4.021 1.574 -9.103 114 HD1 TYR 16 HD1 TYR 16 4.581 -0.676 -9.105 115 HD2 TYR 16 HD2 TYR 16 4.616 1.381 -12.831 116 HE1 TYR 16 HE1 TYR 16 4.868 -2.790 -10.258 117 HE2 TYR 16 HE2 TYR 16 4.902 -0.735 -13.993 118 HH TYR 16 HH TYR 16 4.258 -3.076 -13.492 119 H VAL 17 HN VAL 17 1.714 2.103 -9.151 120 HA VAL 17 HA VAL 17 0.137 0.074 -10.332 121 HB VAL 17 HB VAL 17 -0.994 2.211 -8.508 122 1HG1 VAL 17 HG1 VAL 17 -2.693 0.832 -9.539 123 2HG1 VAL 17 HG1 VAL 17 -2.527 0.387 -7.816 124 3HG1 VAL 17 HG1 VAL 17 -1.791 -0.639 -9.090 125 1HG2 VAL 17 HG2 VAL 17 -0.392 0.598 -6.697 126 2HG2 VAL 17 HG2 VAL 17 1.021 1.255 -7.572 127 3HG2 VAL 17 HG2 VAL 17 0.418 -0.375 -7.973 128 H GLN 18 HN GLN 18 -0.161 3.619 -10.832 129 HA GLN 18 HA GLN 18 -2.661 3.545 -12.095 130 1HB GLN 18 HB2 GLN 18 -1.945 5.717 -12.804 131 2HB GLN 18 HB1 GLN 18 -1.667 5.552 -11.102 132 1HG GLN 18 HG2 GLN 18 0.586 5.871 -11.372 133 2HG GLN 18 HG1 GLN 18 0.714 4.780 -12.730 134 1HE2 GLN 18 HE2 GLN 18 -1.075 7.911 -12.347 135 2HE2 GLN 18 HE2 GLN 18 -0.322 8.611 -13.709 136 H GLY 19 HN GLY 19 0.474 2.648 -13.196 137 1HA GLY 19 HA2 GLY 19 0.772 1.362 -15.211 138 2HA GLY 19 HA1 GLY 19 -0.629 2.121 -15.940 139 H GLY 20 HN GLY 20 2.190 3.494 -14.241 140 1HA GLY 20 HA2 GLY 20 3.139 4.752 -16.782 141 2HA GLY 20 HA1 GLY 20 2.867 5.738 -15.339 142 HA PRO 21 HA PRO 21 7.197 4.018 -15.242 143 1HB PRO 21 HB2 PRO 21 8.583 6.359 -15.128 144 2HB PRO 21 HB1 PRO 21 7.997 5.725 -16.671 145 1HG PRO 21 HG2 PRO 21 6.569 7.730 -14.813 146 2HG PRO 21 HG1 PRO 21 6.977 7.975 -16.516 147 1HD PRO 21 HD2 PRO 21 4.511 7.082 -15.830 148 2HD PRO 21 HD1 PRO 21 5.313 6.342 -17.240 149 H GLY 22 HN GLY 22 7.938 3.424 -13.184 150 1HA GLY 22 HA2 GLY 22 8.351 4.988 -10.961 151 2HA GLY 22 HA1 GLY 22 6.627 4.585 -10.897 152 HA PRO 23 HA PRO 23 6.105 4.057 -9.040 153 1HB PRO 23 HB2 PRO 23 6.495 3.350 -6.504 154 2HB PRO 23 HB1 PRO 23 5.504 2.375 -7.594 155 1HG PRO 23 HG2 PRO 23 8.415 1.922 -6.730 156 2HG PRO 23 HG1 PRO 23 7.123 0.759 -6.867 157 1HD PRO 23 HD2 PRO 23 9.002 1.140 -8.890 158 2HD PRO 23 HD1 PRO 23 7.346 0.588 -9.213 159 H SER 24 HN SER 24 9.131 3.466 -7.290 160 HA SER 24 HA SER 24 10.507 5.876 -7.765 161 1HB SER 24 HB2 SER 24 9.927 7.164 -5.622 162 2HB SER 24 HB1 SER 24 8.549 7.110 -6.725 163 HG SER 24 HG SER 24 7.719 5.436 -5.643 164 H GLY 25 HN GLY 25 12.263 6.226 -6.282 165 1HA GLY 25 HA2 GLY 25 13.286 3.713 -5.256 166 2HA GLY 25 HA1 GLY 25 14.048 5.295 -5.024 167 H GLN 26 HN GLN 26 10.983 5.790 -4.080 168 HA GLN 26 HA GLN 26 11.685 5.135 -1.216 169 1HB GLN 26 HB2 GLN 26 9.884 7.272 -2.506 170 2HB GLN 26 HB1 GLN 26 9.630 6.828 -0.832 171 1HG GLN 26 HG2 GLN 26 12.015 7.353 -0.320 172 2HG GLN 26 HG1 GLN 26 12.290 7.760 -2.006 173 1HE2 GLN 26 HE2 GLN 26 12.379 10.031 -2.141 174 2HE2 GLN 26 HE2 GLN 26 11.302 11.043 -1.307 175 H CYS 27 HN CYS 27 9.571 4.209 -3.777 176 HA CYS 27 HA CYS 27 7.308 3.357 -2.280 177 1HB CYS 27 HB2 CYS 27 7.436 3.307 -4.713 178 2HB CYS 27 HB1 CYS 27 8.706 2.108 -4.657 179 H CYS 28 HN CYS 28 10.356 1.617 -2.941 180 HA CYS 28 HA CYS 28 9.554 -0.605 -1.230 181 1HB CYS 28 HB2 CYS 28 11.256 -0.877 -3.052 182 2HB CYS 28 HB1 CYS 28 12.353 0.178 -2.193 183 H ASP 29 HN ASP 29 12.267 1.640 -0.731 184 HA ASP 29 HA ASP 29 12.707 1.102 1.967 185 1HB ASP 29 HB2 ASP 29 13.952 2.933 0.315 186 2HB ASP 29 HB1 ASP 29 12.673 3.937 0.855 187 H GLY 30 HN GLY 30 10.573 3.479 0.586 188 1HA GLY 30 HA2 GLY 30 9.549 4.577 2.975 189 2HA GLY 30 HA1 GLY 30 8.725 4.614 1.433 190 H VAL 31 HN VAL 31 7.972 2.129 0.898 191 HA VAL 31 HA VAL 31 5.893 1.721 2.868 192 HB VAL 31 HB VAL 31 6.739 0.064 0.425 193 1HG1 VAL 31 HG1 VAL 31 4.073 0.287 1.898 194 2HG1 VAL 31 HG1 VAL 31 5.190 -1.104 1.952 195 3HG1 VAL 31 HG1 VAL 31 4.395 -0.664 0.413 196 1HG2 VAL 31 HG2 VAL 31 4.655 2.263 0.781 197 2HG2 VAL 31 HG2 VAL 31 4.953 1.307 -0.702 198 3HG2 VAL 31 HG2 VAL 31 6.197 2.443 -0.103 199 H LYS 32 HN LYS 32 8.970 0.117 2.241 200 HA LYS 32 HA LYS 32 8.659 -2.223 3.741 201 1HB LYS 32 HB2 LYS 32 10.635 -1.769 2.283 202 2HB LYS 32 HB1 LYS 32 11.038 -0.373 3.247 203 1HG LYS 32 HG2 LYS 32 11.491 -1.732 5.195 204 2HG LYS 32 HG1 LYS 32 10.993 -3.179 4.349 205 1HD LYS 32 HD2 LYS 32 12.942 -2.658 2.677 206 2HD LYS 32 HD1 LYS 32 13.372 -1.316 3.720 207 1HE LYS 32 HE2 LYS 32 14.710 -3.361 4.298 208 2HE LYS 32 HE1 LYS 32 13.711 -2.824 5.647 209 1HZ LYS 32 HZ1 LYS 32 12.569 -4.736 5.585 210 2HZ LYS 32 HZ2 LYS 32 13.638 -5.316 4.389 211 3HZ LYS 32 HZ3 LYS 32 12.222 -4.507 3.924 212 H ASN 33 HN ASN 33 9.757 1.011 4.611 213 HA ASN 33 HA ASN 33 10.174 0.516 7.379 214 1HB ASN 33 HB2 ASN 33 9.694 2.969 5.637 215 2HB ASN 33 HB1 ASN 33 9.703 3.172 7.381 216 1HD2 ASN 33 HD2 ASN 33 11.773 3.118 4.705 217 2HD2 ASN 33 HD2 ASN 33 13.232 2.841 5.498 218 H LEU 34 HN LEU 34 7.291 1.822 5.788 219 HA LEU 34 HA LEU 34 5.655 2.073 8.104 220 1HB LEU 34 HB2 LEU 34 5.094 2.960 5.828 221 2HB LEU 34 HB1 LEU 34 4.866 1.351 5.224 222 HG LEU 34 HG LEU 34 3.116 2.487 7.477 223 1HD1 LEU 34 HD1 LEU 34 2.886 3.850 5.406 224 2HD1 LEU 34 HD1 LEU 34 1.431 2.870 5.749 225 3HD1 LEU 34 HD1 LEU 34 2.589 2.357 4.479 226 1HD2 LEU 34 HD2 LEU 34 2.743 0.186 5.544 227 2HD2 LEU 34 HD2 LEU 34 1.524 0.789 6.713 228 3HD2 LEU 34 HD2 LEU 34 3.014 0.060 7.320 229 H HIS 35 HN HIS 35 5.814 -0.592 5.780 230 HA HIS 35 HA HIS 35 4.102 -2.428 6.993 231 1HB HIS 35 HB2 HIS 35 5.315 -2.620 4.770 232 2HB HIS 35 HB1 HIS 35 6.756 -3.114 5.615 233 HD1 HIS 35 HD1 HIS 35 6.532 -5.475 4.442 234 HD2 HIS 35 HD2 HIS 35 3.387 -4.674 6.913 235 HE1 HIS 35 HE1 HIS 35 5.328 -7.596 4.734 236 H ASN 36 HN ASN 36 7.595 -2.112 7.509 237 HA ASN 36 HA ASN 36 7.884 -4.126 9.476 238 1HB ASN 36 HB2 ASN 36 9.815 -2.742 8.372 239 2HB ASN 36 HB1 ASN 36 9.399 -1.469 9.483 240 1HD2 ASN 36 HD2 ASN 36 8.831 -3.974 11.563 241 2HD2 ASN 36 HD2 ASN 36 10.420 -4.216 12.094 242 H GLN 37 HN GLN 37 7.079 -0.658 9.936 243 HA GLN 37 HA GLN 37 6.826 -1.101 12.807 244 1HB GLN 37 HB2 GLN 37 7.586 1.126 11.658 245 2HB GLN 37 HB1 GLN 37 5.875 1.369 11.311 246 1HG GLN 37 HG2 GLN 37 5.401 0.966 13.792 247 2HG GLN 37 HG1 GLN 37 7.133 0.910 14.045 248 1HE2 GLN 37 HE2 GLN 37 6.537 3.282 11.709 249 2HE2 GLN 37 HE2 GLN 37 6.485 4.611 12.771 250 H ALA 38 HN ALA 38 5.229 -2.827 12.469 251 HA ALA 38 HA ALA 38 2.545 -1.749 12.951 252 1HB ALA 38 HB1 ALA 38 1.530 -3.280 11.232 253 2HB ALA 38 HB2 ALA 38 3.197 -3.777 10.789 254 3HB ALA 38 HB3 ALA 38 2.665 -2.103 10.491 255 H ARG 39 HN ARG 39 3.137 -2.531 15.051 256 HA ARG 39 HA ARG 39 3.164 -5.537 15.285 257 1HB ARG 39 HB2 ARG 39 4.833 -3.675 16.359 258 2HB ARG 39 HB1 ARG 39 3.656 -3.732 17.632 259 1HG ARG 39 HG2 ARG 39 5.125 -6.207 16.635 260 2HG ARG 39 HG1 ARG 39 5.614 -5.267 18.028 261 1HD ARG 39 HD2 ARG 39 3.218 -5.748 18.973 262 2HD ARG 39 HD1 ARG 39 3.082 -6.944 17.697 263 HE ARG 39 HE ARG 39 5.270 -7.038 19.771 264 1HH1 ARG 39 HH2 ARG 39 2.546 -8.373 19.852 265 2HH1 ARG 39 HH2 ARG 39 2.915 -10.022 19.510 266 1HH2 ARG 39 HH1 ARG 39 6.135 -9.048 18.293 267 2HH2 ARG 39 HH1 ARG 39 5.141 -10.429 18.531 268 H SER 40 HN SER 40 1.082 -2.900 15.358 269 HA SER 40 HA SER 40 -0.700 -4.318 17.346 270 1HB SER 40 HB2 SER 40 -0.758 -1.381 16.545 271 2HB SER 40 HB1 SER 40 -1.641 -2.117 17.891 272 HG SER 40 HG SER 40 0.930 -1.325 17.740 273 H GLN 41 HN GLN 41 -2.890 -4.518 16.831 274 HA GLN 41 HA GLN 41 -3.561 -5.144 14.173 275 1HB GLN 41 HB2 GLN 41 -4.625 -5.843 16.393 276 2HB GLN 41 HB1 GLN 41 -5.384 -4.265 16.450 277 1HG GLN 41 HG2 GLN 41 -6.766 -4.721 14.606 278 2HG GLN 41 HG1 GLN 41 -5.822 -6.132 14.110 279 1HE2 GLN 41 HE2 GLN 41 -8.724 -5.541 15.458 280 2HE2 GLN 41 HE2 GLN 41 -8.779 -6.827 16.567 281 H SER 42 HN SER 42 -3.712 -2.059 15.873 282 HA SER 42 HA SER 42 -5.352 -0.693 13.970 283 1HB SER 42 HB2 SER 42 -3.973 1.317 15.319 284 2HB SER 42 HB1 SER 42 -5.373 0.481 15.998 285 HG SER 42 HG SER 42 -3.799 0.108 17.498 286 H ASP 43 HN ASP 43 -1.867 -1.069 14.284 287 HA ASP 43 HA ASP 43 -1.014 0.865 12.506 288 1HB ASP 43 HB2 ASP 43 -0.127 -1.876 13.501 289 2HB ASP 43 HB1 ASP 43 0.908 -1.087 12.503 290 H ARG 44 HN ARG 44 -1.817 -2.423 11.953 291 HA ARG 44 HA ARG 44 -1.243 -2.337 9.083 292 1HB ARG 44 HB2 ARG 44 -1.068 -4.413 10.335 293 2HB ARG 44 HB1 ARG 44 -2.746 -4.367 10.778 294 1HG ARG 44 HG2 ARG 44 -2.930 -4.332 7.961 295 2HG ARG 44 HG1 ARG 44 -1.397 -5.150 8.177 296 1HD ARG 44 HD2 ARG 44 -3.095 -6.891 8.171 297 2HD ARG 44 HD1 ARG 44 -2.563 -6.710 9.842 298 HE ARG 44 HE ARG 44 -5.115 -5.622 8.700 299 1HH1 ARG 44 HH2 ARG 44 -4.594 -7.647 10.991 300 2HH1 ARG 44 HH2 ARG 44 -5.108 -6.737 12.356 301 1HH2 ARG 44 HH1 ARG 44 -5.000 -3.790 10.342 302 2HH2 ARG 44 HH1 ARG 44 -5.305 -4.266 11.975 303 H GLN 45 HN GLN 45 -4.216 -2.321 11.009 304 HA GLN 45 HA GLN 45 -6.032 -2.201 8.802 305 1HB GLN 45 HB2 GLN 45 -6.132 -2.010 11.751 306 2HB GLN 45 HB1 GLN 45 -7.058 -0.743 11.080 307 1HG GLN 45 HG2 GLN 45 -8.820 -2.216 11.092 308 2HG GLN 45 HG1 GLN 45 -8.082 -2.886 9.657 309 1HE2 GLN 45 HE2 GLN 45 -8.961 -4.970 10.221 310 2HE2 GLN 45 HE2 GLN 45 -8.237 -5.998 11.333 311 H SER 46 HN SER 46 -4.277 0.286 10.670 312 HA SER 46 HA SER 46 -5.638 2.566 9.638 313 1HB SER 46 HB2 SER 46 -2.846 2.172 10.802 314 2HB SER 46 HB1 SER 46 -3.344 3.735 10.161 315 HG SER 46 HG SER 46 -4.411 4.001 11.953 316 H ALA 47 HN ALA 47 -2.377 1.487 8.703 317 HA ALA 47 HA ALA 47 -2.276 3.062 6.393 318 1HB ALA 47 HB1 ALA 47 -0.298 1.931 7.382 319 2HB ALA 47 HB2 ALA 47 -0.481 1.452 5.659 320 3HB ALA 47 HB3 ALA 47 -1.020 0.356 6.963 321 H CYS 48 HN CYS 48 -3.819 -0.107 6.814 322 HA CYS 48 HA CYS 48 -4.155 -0.713 4.115 323 1HB CYS 48 HB2 CYS 48 -5.428 -1.371 6.753 324 2HB CYS 48 HB1 CYS 48 -6.130 -1.930 5.290 325 H ASN 49 HN ASN 49 -6.026 1.256 6.312 326 HA ASN 49 HA ASN 49 -8.307 1.709 4.598 327 1HB ASN 49 HB2 ASN 49 -7.094 3.313 6.893 328 2HB ASN 49 HB1 ASN 49 -8.494 3.900 6.042 329 1HD2 ASN 49 HD2 ASN 49 -7.533 1.663 8.379 330 2HD2 ASN 49 HD2 ASN 49 -9.148 1.124 8.578 331 H CYS 50 HN CYS 50 -5.324 3.452 5.023 332 HA CYS 50 HA CYS 50 -5.769 5.684 3.376 333 1HB CYS 50 HB2 CYS 50 -3.182 4.109 3.617 334 2HB CYS 50 HB1 CYS 50 -3.350 5.802 3.227 335 H LEU 51 HN LEU 51 -4.183 2.740 2.370 336 HA LEU 51 HA LEU 51 -4.012 3.277 -0.395 337 1HB LEU 51 HB2 LEU 51 -3.198 1.162 1.085 338 2HB LEU 51 HB1 LEU 51 -4.713 0.480 0.518 339 HG LEU 51 HG LEU 51 -3.966 1.106 -1.858 340 1HD1 LEU 51 HD1 LEU 51 -2.170 2.654 -1.174 341 2HD1 LEU 51 HD1 LEU 51 -1.542 1.303 -2.151 342 3HD1 LEU 51 HD1 LEU 51 -1.321 1.294 -0.375 343 1HD2 LEU 51 HD2 LEU 51 -2.400 -0.946 -0.280 344 2HD2 LEU 51 HD2 LEU 51 -2.633 -0.872 -2.061 345 3HD2 LEU 51 HD2 LEU 51 -4.026 -1.179 -0.995 346 H LYS 52 HN LYS 52 -6.628 1.836 1.407 347 HA LYS 52 HA LYS 52 -8.354 1.240 -0.783 348 1HB LYS 52 HB2 LYS 52 -8.204 0.537 1.757 349 2HB LYS 52 HB1 LYS 52 -9.117 1.991 2.063 350 1HG LYS 52 HG2 LYS 52 -10.963 1.119 0.667 351 2HG LYS 52 HG1 LYS 52 -10.035 -0.370 0.420 352 1HD LYS 52 HD2 LYS 52 -9.772 -0.527 2.945 353 2HD LYS 52 HD1 LYS 52 -10.910 0.800 3.111 354 1HE LYS 52 HE2 LYS 52 -12.590 -0.620 1.849 355 2HE LYS 52 HE1 LYS 52 -11.431 -1.937 1.883 356 1HZ LYS 52 HZ1 LYS 52 -12.059 -2.404 4.023 357 2HZ LYS 52 HZ2 LYS 52 -13.201 -1.189 3.942 358 3HZ LYS 52 HZ3 LYS 52 -11.691 -0.910 4.542 359 H GLY 53 HN GLY 53 -8.290 3.999 1.393 360 1HA GLY 53 HA2 GLY 53 -10.422 5.515 0.359 361 2HA GLY 53 HA1 GLY 53 -8.995 6.211 1.140 362 H ILE 54 HN ILE 54 -7.049 5.404 -0.673 363 HA ILE 54 HA ILE 54 -7.632 7.312 -2.849 364 HB ILE 54 HB ILE 54 -5.155 5.893 -1.840 365 1HG1 ILE 54 HG1 ILE 54 -4.289 8.232 -1.593 366 2HG1 ILE 54 HG1 ILE 54 -5.798 8.858 -2.228 367 1HG2 ILE 54 HG2 ILE 54 -4.973 5.787 -4.236 368 2HG2 ILE 54 HG2 ILE 54 -3.855 7.019 -3.563 369 3HG2 ILE 54 HG2 ILE 54 -5.366 7.527 -4.369 370 1HD1 ILE 54 HD1 ILE 54 -5.474 7.248 0.346 371 2HD1 ILE 54 HD1 ILE 54 -7.018 7.916 -0.270 372 3HD1 ILE 54 HD1 ILE 54 -5.709 9.012 0.252 373 H ALA 55 HN ALA 55 -6.365 3.955 -2.831 374 HA ALA 55 HA ALA 55 -6.471 3.528 -5.554 375 1HB ALA 55 HB1 ALA 55 -5.500 1.950 -3.953 376 2HB ALA 55 HB2 ALA 55 -6.706 1.131 -4.995 377 3HB ALA 55 HB3 ALA 55 -7.128 1.565 -3.314 378 H ARG 56 HN ARG 56 -9.161 3.726 -3.354 379 HA ARG 56 HA ARG 56 -11.015 2.473 -5.250 380 1HB ARG 56 HB2 ARG 56 -11.153 2.471 -2.654 381 2HB ARG 56 HB1 ARG 56 -11.726 4.121 -2.796 382 1HG ARG 56 HG2 ARG 56 -13.576 3.369 -4.242 383 2HG ARG 56 HG1 ARG 56 -12.958 1.725 -4.224 384 1HD ARG 56 HD2 ARG 56 -13.160 2.138 -1.523 385 2HD ARG 56 HD1 ARG 56 -14.382 3.274 -2.088 386 HE ARG 56 HE ARG 56 -14.367 0.353 -2.819 387 1HH1 ARG 56 HH1 ARG 56 -15.937 2.232 -4.400 388 2HH1 ARG 56 HH1 ARG 56 -17.519 2.177 -3.716 389 1HH2 ARG 56 HH2 ARG 56 -16.155 0.677 -0.758 390 2HH2 ARG 56 HH2 ARG 56 -17.655 1.198 -1.443 391 H GLY 57 HN GLY 57 -9.861 5.651 -4.519 392 1HA GLY 57 HA2 GLY 57 -12.073 7.016 -5.893 393 2HA GLY 57 HA1 GLY 57 -10.593 7.783 -5.298 394 H ILE 58 HN ILE 58 -8.960 5.736 -6.661 395 HA ILE 58 HA ILE 58 -8.671 7.112 -9.207 396 HB ILE 58 HB ILE 58 -7.411 4.458 -8.362 397 1HG1 ILE 58 HG1 ILE 58 -6.418 7.350 -7.946 398 2HG1 ILE 58 HG1 ILE 58 -6.985 6.309 -6.682 399 1HG2 ILE 58 HG2 ILE 58 -7.235 4.941 -10.747 400 2HG2 ILE 58 HG2 ILE 58 -5.642 5.070 -9.966 401 3HG2 ILE 58 HG2 ILE 58 -6.548 6.558 -10.382 402 1HD1 ILE 58 HD1 ILE 58 -4.538 6.354 -6.691 403 2HD1 ILE 58 HD1 ILE 58 -4.498 5.791 -8.384 404 3HD1 ILE 58 HD1 ILE 58 -5.129 4.719 -7.094 405 H HIS 59 HN HIS 59 -9.458 6.617 -11.174 406 HA HIS 59 HA HIS 59 -11.395 4.375 -11.383 407 1HB HIS 59 HB2 HIS 59 -11.972 6.732 -12.108 408 2HB HIS 59 HB1 HIS 59 -10.751 6.604 -13.367 409 HD1 HIS 59 HD1 HIS 59 -13.087 7.008 -14.729 410 HD2 HIS 59 HD2 HIS 59 -12.566 3.246 -13.251 411 HE1 HIS 59 HE1 HIS 59 -14.638 5.537 -15.988 412 H ASN 60 HN ASN 60 -8.347 5.491 -12.821 413 HA ASN 60 HA ASN 60 -8.242 2.982 -14.443 414 1HB ASN 60 HB2 ASN 60 -6.438 4.107 -15.714 415 2HB ASN 60 HB1 ASN 60 -7.888 5.097 -15.698 416 1HD2 ASN 60 HD2 ASN 60 -4.563 5.314 -15.284 417 2HD2 ASN 60 HD2 ASN 60 -4.569 6.746 -14.369 418 H LEU 61 HN LEU 61 -7.814 1.827 -12.415 419 HA LEU 61 HA LEU 61 -4.997 2.131 -11.444 420 1HB LEU 61 HB2 LEU 61 -6.630 2.219 -9.638 421 2HB LEU 61 HB1 LEU 61 -7.528 0.885 -10.298 422 HG LEU 61 HG LEU 61 -4.670 0.261 -9.508 423 1HD1 LEU 61 HD1 LEU 61 -6.931 0.640 -7.522 424 2HD1 LEU 61 HD1 LEU 61 -5.488 1.678 -7.655 425 3HD1 LEU 61 HD1 LEU 61 -5.298 -0.028 -7.166 426 1HD2 LEU 61 HD2 LEU 61 -5.702 -1.807 -8.783 427 2HD2 LEU 61 HD2 LEU 61 -6.242 -1.432 -10.435 428 3HD2 LEU 61 HD2 LEU 61 -7.344 -1.132 -9.062 429 H ASN 62 HN ASN 62 -3.486 0.480 -11.770 430 HA ASN 62 HA ASN 62 -4.432 -1.780 -13.461 431 1HB ASN 62 HB2 ASN 62 -2.411 0.028 -13.879 432 2HB ASN 62 HB1 ASN 62 -1.528 -1.263 -13.074 433 1HD2 ASN 62 HD2 ASN 62 -0.525 -2.524 -14.769 434 2HD2 ASN 62 HD2 ASN 62 -1.351 -2.874 -16.200 435 H GLU 63 HN GLU 63 -4.453 -3.812 -12.559 436 HA GLU 63 HA GLU 63 -3.524 -4.121 -9.804 437 1HB GLU 63 HB2 GLU 63 -4.850 -6.098 -11.721 438 2HB GLU 63 HB1 GLU 63 -4.584 -6.363 -9.999 439 1HG GLU 63 HG2 GLU 63 -5.762 -4.053 -9.604 440 2HG GLU 63 HG1 GLU 63 -6.292 -4.142 -11.266 441 H ASP 64 HN ASP 64 -2.403 -5.047 -12.949 442 HA ASP 64 HA ASP 64 -0.451 -6.990 -12.308 443 1HB ASP 64 HB2 ASP 64 -0.973 -6.630 -14.602 444 2HB ASP 64 HB1 ASP 64 -0.826 -4.895 -14.477 445 H ASN 65 HN ASN 65 -0.149 -3.452 -12.386 446 HA ASN 65 HA ASN 65 2.588 -3.441 -11.503 447 1HB ASN 65 HB2 ASN 65 0.483 -1.277 -11.647 448 2HB ASN 65 HB1 ASN 65 2.188 -0.937 -11.359 449 1HD2 ASN 65 HD2 ASN 65 0.199 -0.452 -13.761 450 2HD2 ASN 65 HD2 ASN 65 1.093 -1.042 -15.087 451 H ALA 66 HN ALA 66 -0.527 -2.798 -9.870 452 HA ALA 66 HA ALA 66 0.304 -2.156 -7.287 453 1HB ALA 66 HB1 ALA 66 -1.902 -4.042 -8.116 454 2HB ALA 66 HB2 ALA 66 -2.068 -2.257 -8.048 455 3HB ALA 66 HB3 ALA 66 -1.717 -3.176 -6.564 456 H ARG 67 HN ARG 67 0.116 -5.314 -8.738 457 HA ARG 67 HA ARG 67 1.024 -6.692 -6.322 458 1HB ARG 67 HB2 ARG 67 -0.548 -7.399 -8.406 459 2HB ARG 67 HB1 ARG 67 0.974 -7.970 -9.051 460 1HG ARG 67 HG2 ARG 67 1.334 -9.317 -6.976 461 2HG ARG 67 HG1 ARG 67 -0.172 -8.684 -6.339 462 1HD ARG 67 HD2 ARG 67 -1.489 -9.692 -8.157 463 2HD ARG 67 HD1 ARG 67 -0.036 -10.328 -8.912 464 HE ARG 67 HE ARG 67 -1.012 -11.095 -6.163 465 1HH1 ARG 67 HH1 ARG 67 1.600 -11.388 -7.938 466 2HH1 ARG 67 HH1 ARG 67 1.707 -13.104 -8.079 467 1HH2 ARG 67 HH2 ARG 67 -1.649 -13.371 -6.807 468 2HH2 ARG 67 HH2 ARG 67 -0.350 -14.350 -7.367 469 H SER 68 HN SER 68 2.491 -5.287 -9.034 470 HA SER 68 HA SER 68 5.006 -6.798 -8.918 471 1HB SER 68 HB2 SER 68 4.238 -6.167 -11.084 472 2HB SER 68 HB1 SER 68 3.786 -4.576 -10.549 473 HG SER 68 HG SER 68 5.558 -4.246 -11.674 474 H ILE 69 HN ILE 69 3.760 -4.254 -7.145 475 HA ILE 69 HA ILE 69 6.180 -2.719 -6.670 476 HB ILE 69 HB ILE 69 3.549 -2.929 -5.093 477 1HG1 ILE 69 HG1 ILE 69 4.474 -0.615 -6.769 478 2HG1 ILE 69 HG1 ILE 69 3.552 -1.941 -7.443 479 1HG2 ILE 69 HG2 ILE 69 5.867 -1.045 -4.823 480 2HG2 ILE 69 HG2 ILE 69 5.367 -2.242 -3.595 481 3HG2 ILE 69 HG2 ILE 69 4.307 -0.855 -3.954 482 1HD1 ILE 69 HD1 ILE 69 1.719 -1.584 -5.878 483 2HD1 ILE 69 HD1 ILE 69 2.184 -0.038 -6.684 484 3HD1 ILE 69 HD1 ILE 69 2.642 -0.332 -4.999 485 HA PRO 70 HA PRO 70 6.544 -5.043 -2.532 486 1HB PRO 70 HB2 PRO 70 5.242 -7.488 -2.289 487 2HB PRO 70 HB1 PRO 70 4.617 -5.941 -1.685 488 1HG PRO 70 HG2 PRO 70 3.907 -7.407 -4.284 489 2HG PRO 70 HG1 PRO 70 2.867 -6.567 -3.164 490 1HD PRO 70 HD2 PRO 70 3.659 -5.306 -5.401 491 2HD PRO 70 HD1 PRO 70 3.454 -4.456 -3.860 492 HA PRO 71 HA PRO 71 8.457 -9.025 -4.413 493 1HB PRO 71 HB2 PRO 71 8.486 -9.278 -7.155 494 2HB PRO 71 HB1 PRO 71 7.196 -9.948 -6.157 495 1HG PRO 71 HG2 PRO 71 7.209 -7.239 -7.607 496 2HG PRO 71 HG1 PRO 71 5.966 -8.489 -7.640 497 1HD PRO 71 HD2 PRO 71 5.660 -6.460 -5.947 498 2HD PRO 71 HD1 PRO 71 5.297 -8.117 -5.418 499 H LYS 72 HN LYS 72 8.606 -6.276 -6.659 500 HA LYS 72 HA LYS 72 11.404 -6.394 -7.120 501 1HB LYS 72 HB2 LYS 72 11.259 -3.940 -7.603 502 2HB LYS 72 HB1 LYS 72 10.146 -4.949 -8.505 503 1HG LYS 72 HG2 LYS 72 8.327 -4.238 -6.888 504 2HG LYS 72 HG1 LYS 72 9.474 -3.280 -6.003 505 1HD LYS 72 HD2 LYS 72 8.160 -1.863 -7.517 506 2HD LYS 72 HD1 LYS 72 9.847 -1.849 -7.985 507 1HE LYS 72 HE2 LYS 72 8.705 -4.005 -9.501 508 2HE LYS 72 HE1 LYS 72 7.434 -2.824 -9.438 509 1HZ LYS 72 HZ1 LYS 72 8.460 -1.755 -11.059 510 2HZ LYS 72 HZ2 LYS 72 9.810 -2.770 -10.963 511 3HZ LYS 72 HZ3 LYS 72 9.751 -1.364 -10.022 512 H CYS 73 HN CYS 73 9.686 -5.187 -4.401 513 HA CYS 73 HA CYS 73 12.064 -3.838 -3.285 514 1HB CYS 73 HB2 CYS 73 9.790 -2.951 -2.941 515 2HB CYS 73 HB1 CYS 73 9.312 -4.420 -2.200 516 H GLY 74 HN GLY 74 10.024 -6.620 -2.375 517 1HA GLY 74 HA2 GLY 74 11.040 -8.723 -1.675 518 2HA GLY 74 HA1 GLY 74 12.430 -7.832 -1.074 519 H VAL 75 HN VAL 75 9.256 -6.583 -0.421 520 HA VAL 75 HA VAL 75 9.536 -7.469 2.405 521 HB VAL 75 HB VAL 75 8.218 -5.405 2.907 522 1HG1 VAL 75 HG1 VAL 75 10.647 -5.341 2.929 523 2HG1 VAL 75 HG1 VAL 75 9.983 -3.778 2.355 524 3HG1 VAL 75 HG1 VAL 75 10.674 -4.933 1.186 525 1HG2 VAL 75 HG2 VAL 75 6.995 -5.197 0.786 526 2HG2 VAL 75 HG2 VAL 75 8.534 -4.769 -0.029 527 3HG2 VAL 75 HG2 VAL 75 7.861 -3.695 1.224 528 H ASN 76 HN ASN 76 7.508 -7.593 -0.280 529 HA ASN 76 HA ASN 76 5.388 -8.549 -0.597 530 1HB ASN 76 HB2 ASN 76 6.871 -10.429 0.389 531 2HB ASN 76 HB1 ASN 76 5.948 -10.190 1.866 532 1HD2 ASN 76 HD2 ASN 76 3.487 -10.207 1.647 533 2HD2 ASN 76 HD2 ASN 76 2.815 -11.212 0.441 534 H LEU 77 HN LEU 77 4.341 -6.479 0.087 535 HA LEU 77 HA LEU 77 3.411 -6.179 2.759 536 1HB LEU 77 HB2 LEU 77 2.925 -4.761 0.176 537 2HB LEU 77 HB1 LEU 77 1.460 -4.891 1.066 538 HG LEU 77 HG LEU 77 2.526 -3.964 3.068 539 1HD1 LEU 77 HD1 LEU 77 4.707 -2.828 2.846 540 2HD1 LEU 77 HD1 LEU 77 4.850 -3.471 1.184 541 3HD1 LEU 77 HD1 LEU 77 4.849 -4.586 2.592 542 1HD2 LEU 77 HD2 LEU 77 2.756 -2.184 0.631 543 2HD2 LEU 77 HD2 LEU 77 2.666 -1.630 2.332 544 3HD2 LEU 77 HD2 LEU 77 1.286 -2.492 1.609 545 HA PRO 78 HA PRO 78 -0.106 -8.838 2.586 546 1HB PRO 78 HB2 PRO 78 -1.464 -7.536 4.804 547 2HB PRO 78 HB1 PRO 78 -0.451 -8.970 4.833 548 1HG PRO 78 HG2 PRO 78 0.361 -6.589 6.033 549 2HG PRO 78 HG1 PRO 78 1.498 -7.790 5.427 550 1HD PRO 78 HD2 PRO 78 0.506 -5.295 3.934 551 2HD PRO 78 HD1 PRO 78 2.162 -5.871 4.203 552 H TYR 79 HN TYR 79 -0.250 -5.661 1.690 553 HA TYR 79 HA TYR 79 -2.760 -6.060 0.303 554 1HB TYR 79 HB2 TYR 79 -3.928 -4.068 1.421 555 2HB TYR 79 HB1 TYR 79 -3.797 -5.487 2.436 556 HD1 TYR 79 HD1 TYR 79 -1.915 -5.508 4.194 557 HD2 TYR 79 HD2 TYR 79 -2.896 -2.009 2.011 558 HE1 TYR 79 HE1 TYR 79 -0.707 -4.120 5.849 559 HE2 TYR 79 HE2 TYR 79 -1.705 -0.644 3.638 560 HH TYR 79 HH TYR 79 -0.894 -1.670 6.596 561 H THR 80 HN THR 80 -1.973 -5.214 -1.709 562 HA THR 80 HA THR 80 -1.282 -2.350 -1.729 563 HB THR 80 HB THR 80 0.617 -4.590 -2.674 564 HG1 THR 80 HG1 THR 80 0.287 -3.046 -0.416 565 1HG2 THR 80 HG2 THR 80 0.755 -2.620 -4.143 566 2HG2 THR 80 HG2 THR 80 2.187 -2.778 -3.105 567 3HG2 THR 80 HG2 THR 80 0.918 -1.572 -2.697 568 H ILE 81 HN ILE 81 -3.374 -4.395 -2.904 569 HA ILE 81 HA ILE 81 -3.338 -3.254 -5.650 570 HB ILE 81 HB ILE 81 -4.229 -6.082 -4.884 571 1HG1 ILE 81 HG1 ILE 81 -2.135 -6.596 -6.470 572 2HG1 ILE 81 HG1 ILE 81 -1.533 -5.091 -5.844 573 1HG2 ILE 81 HG2 ILE 81 -4.246 -6.493 -7.301 574 2HG2 ILE 81 HG2 ILE 81 -3.818 -4.771 -7.575 575 3HG2 ILE 81 HG2 ILE 81 -5.379 -5.205 -6.826 576 1HD1 ILE 81 HD1 ILE 81 -0.680 -6.971 -4.551 577 2HD1 ILE 81 HD1 ILE 81 -2.348 -7.548 -4.247 578 3HD1 ILE 81 HD1 ILE 81 -1.783 -6.012 -3.528 579 H SER 82 HN SER 82 -4.687 -1.620 -4.706 580 HA SER 82 HA SER 82 -6.765 -0.697 -4.120 581 1HB SER 82 HB2 SER 82 -6.889 -1.519 -6.673 582 2HB SER 82 HB1 SER 82 -8.001 -2.719 -6.021 583 HG SER 82 HG SER 82 -8.384 -0.014 -6.318 584 H LEU 83 HN LEU 83 -9.278 -2.195 -4.289 585 HA LEU 83 HA LEU 83 -9.119 -3.306 -1.525 586 1HB LEU 83 HB2 LEU 83 -11.624 -3.101 -3.246 587 2HB LEU 83 HB1 LEU 83 -11.544 -3.298 -1.515 588 HG LEU 83 HG LEU 83 -10.166 -0.954 -1.696 589 1HD1 LEU 83 HD1 LEU 83 -11.173 0.506 -3.360 590 2HD1 LEU 83 HD1 LEU 83 -12.094 -0.884 -4.040 591 3HD1 LEU 83 HD1 LEU 83 -10.313 -0.825 -4.153 592 1HD2 LEU 83 HD2 LEU 83 -13.179 -1.197 -1.828 593 2HD2 LEU 83 HD2 LEU 83 -12.254 0.204 -1.186 594 3HD2 LEU 83 HD2 LEU 83 -12.169 -1.384 -0.372 595 H ASN 84 HN ASN 84 -7.946 -4.871 -3.761 596 HA ASN 84 HA ASN 84 -9.781 -7.196 -4.002 597 1HB ASN 84 HB2 ASN 84 -8.150 -6.034 -5.835 598 2HB ASN 84 HB1 ASN 84 -6.954 -7.073 -5.099 599 1HD2 ASN 84 HD2 ASN 84 -8.277 -7.084 -7.850 600 2HD2 ASN 84 HD2 ASN 84 -8.879 -8.657 -8.016 601 H ILE 85 HN ILE 85 -7.710 -6.017 -1.718 602 HA ILE 85 HA ILE 85 -6.902 -8.765 -0.850 603 HB ILE 85 HB ILE 85 -4.996 -7.313 0.369 604 1HG1 ILE 85 HG1 ILE 85 -4.165 -5.424 -1.022 605 2HG1 ILE 85 HG1 ILE 85 -5.519 -5.578 -2.111 606 1HG2 ILE 85 HG2 ILE 85 -4.643 -9.101 -1.237 607 2HG2 ILE 85 HG2 ILE 85 -3.533 -7.742 -1.554 608 3HG2 ILE 85 HG2 ILE 85 -4.988 -7.972 -2.582 609 1HD1 ILE 85 HD1 ILE 85 -5.766 -3.700 -0.549 610 2HD1 ILE 85 HD1 ILE 85 -5.741 -4.845 0.842 611 3HD1 ILE 85 HD1 ILE 85 -7.080 -4.881 -0.329 612 H ASP 86 HN ASP 86 -6.942 -9.180 1.412 613 HA ASP 86 HA ASP 86 -8.758 -7.372 2.910 614 1HB ASP 86 HB2 ASP 86 -8.525 -10.401 2.858 615 2HB ASP 86 HB1 ASP 86 -9.364 -9.548 4.122 616 H CYS 87 HN CYS 87 -7.331 -6.235 4.166 617 HA CYS 87 HA CYS 87 -4.958 -7.229 5.384 618 1HB CYS 87 HB2 CYS 87 -6.844 -5.001 6.181 619 2HB CYS 87 HB1 CYS 87 -5.244 -5.159 6.847 620 H SER 88 HN SER 88 -8.127 -6.753 6.795 621 HA SER 88 HA SER 88 -8.317 -9.076 8.356 622 1HB SER 88 HB2 SER 88 -6.435 -8.485 9.750 623 2HB SER 88 HB1 SER 88 -6.860 -6.775 9.710 624 HG SER 88 HG SER 88 -7.967 -8.849 11.244 625 H ARG 89 HN ARG 89 -8.780 -5.579 8.661 626 HA ARG 89 HA ARG 89 -11.643 -5.834 8.361 627 1HB ARG 89 HB2 ARG 89 -10.974 -6.502 10.902 628 2HB ARG 89 HB1 ARG 89 -10.845 -4.766 11.107 629 1HG ARG 89 HG2 ARG 89 -13.099 -4.374 10.940 630 2HG ARG 89 HG1 ARG 89 -13.361 -5.589 9.709 631 1HD ARG 89 HD2 ARG 89 -12.833 -6.219 12.658 632 2HD ARG 89 HD1 ARG 89 -14.413 -6.197 11.885 633 HE ARG 89 HE ARG 89 -12.327 -7.966 10.662 634 1HH1 ARG 89 HH1 ARG 89 -13.208 -8.982 13.251 635 2HH1 ARG 89 HH1 ARG 89 -14.584 -9.964 12.917 636 1HH2 ARG 89 HH2 ARG 89 -14.949 -8.464 9.725 637 2HH2 ARG 89 HH2 ARG 89 -15.634 -9.641 10.766 638 H VAL 90 HN VAL 90 -9.745 -4.494 6.991 639 HA VAL 90 HA VAL 90 -9.593 -1.696 7.827 640 HB VAL 90 HB VAL 90 -7.782 -2.702 6.416 641 1HG1 VAL 90 HG1 VAL 90 -8.162 -3.282 4.089 642 2HG1 VAL 90 HG1 VAL 90 -9.906 -2.915 4.277 643 3HG1 VAL 90 HG1 VAL 90 -9.193 -4.303 5.135 644 1HG2 VAL 90 HG2 VAL 90 -9.452 -0.606 5.012 645 2HG2 VAL 90 HG2 VAL 90 -7.767 -1.002 4.614 646 3HG2 VAL 90 HG2 VAL 90 -8.189 -0.336 6.238 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 -3.014 6.233 15.771 2 2H ILE 1 HT2 ILE 1 -3.524 4.659 15.348 3 3H ILE 1 HT3 ILE 1 -4.371 6.011 14.779 4 HA ILE 1 HA ILE 1 -1.758 6.371 13.966 5 HB ILE 1 HB ILE 1 -2.774 3.533 13.284 6 1HG1 ILE 1 HG1 ILE 1 -0.339 4.451 14.956 7 2HG1 ILE 1 HG1 ILE 1 -1.768 3.725 15.664 8 1HG2 ILE 1 HG2 ILE 1 -0.650 3.301 12.112 9 2HG2 ILE 1 HG2 ILE 1 -0.206 4.980 12.563 10 3HG2 ILE 1 HG2 ILE 1 -1.564 4.660 11.437 11 1HD1 ILE 1 HD1 ILE 1 -1.375 1.668 14.339 12 2HD1 ILE 1 HD1 ILE 1 -0.016 2.057 15.449 13 3HD1 ILE 1 HD1 ILE 1 0.124 2.393 13.703 14 H ASP 2 HN ASP 2 -3.516 8.008 13.408 15 HA ASP 2 HA ASP 2 -5.508 7.451 11.465 16 1HB ASP 2 HB2 ASP 2 -4.024 10.078 12.014 17 2HB ASP 2 HB1 ASP 2 -5.668 9.898 11.406 18 H CYS 3 HN CYS 3 -5.456 7.786 9.166 19 HA CYS 3 HA CYS 3 -2.872 7.122 7.980 20 1HB CYS 3 HB2 CYS 3 -5.026 6.271 6.970 21 2HB CYS 3 HB1 CYS 3 -5.386 7.928 6.475 22 H GLY 4 HN GLY 4 -2.001 9.125 8.983 23 1HA GLY 4 HA2 GLY 4 -2.280 11.515 7.181 24 2HA GLY 4 HA1 GLY 4 -1.721 11.591 8.852 25 H HIS 5 HN HIS 5 -0.063 9.241 8.596 26 HA HIS 5 HA HIS 5 2.216 10.453 7.079 27 1HB HIS 5 HB2 HIS 5 2.372 9.964 9.620 28 2HB HIS 5 HB1 HIS 5 2.381 8.262 9.185 29 HD1 HIS 5 HD1 HIS 5 4.376 7.842 7.189 30 HD2 HIS 5 HD2 HIS 5 4.801 10.987 9.754 31 HE1 HIS 5 HE1 HIS 5 6.783 8.487 7.138 32 H VAL 6 HN VAL 6 0.410 7.508 7.533 33 HA VAL 6 HA VAL 6 2.017 5.822 5.881 34 HB VAL 6 HB VAL 6 -0.978 5.601 6.238 35 1HG1 VAL 6 HG1 VAL 6 1.221 3.632 5.601 36 2HG1 VAL 6 HG1 VAL 6 -0.085 4.200 4.513 37 3HG1 VAL 6 HG1 VAL 6 -0.471 3.195 5.934 38 1HG2 VAL 6 HG2 VAL 6 -0.483 4.124 8.166 39 2HG2 VAL 6 HG2 VAL 6 -0.074 5.841 8.451 40 3HG2 VAL 6 HG2 VAL 6 1.219 4.694 8.037 41 H ASP 7 HN ASP 7 -0.721 7.922 5.132 42 HA ASP 7 HA ASP 7 -1.181 7.128 2.477 43 1HB ASP 7 HB2 ASP 7 -2.381 8.954 4.023 44 2HB ASP 7 HB1 ASP 7 -1.316 10.080 3.185 45 H SER 8 HN SER 8 1.107 9.594 3.599 46 HA SER 8 HA SER 8 2.163 10.129 0.963 47 1HB SER 8 HB2 SER 8 2.530 11.776 2.806 48 2HB SER 8 HB1 SER 8 3.541 10.607 3.668 49 HG SER 8 HG SER 8 4.614 10.529 1.358 50 H LEU 9 HN LEU 9 2.850 7.527 3.349 51 HA LEU 9 HA LEU 9 5.377 6.910 2.154 52 1HB LEU 9 HB2 LEU 9 3.464 5.678 4.151 53 2HB LEU 9 HB1 LEU 9 4.840 4.820 3.605 54 HG LEU 9 HG LEU 9 4.784 7.492 5.102 55 1HD1 LEU 9 HD1 LEU 9 4.481 5.432 6.466 56 2HD1 LEU 9 HD1 LEU 9 6.018 6.268 6.859 57 3HD1 LEU 9 HD1 LEU 9 6.052 4.833 5.824 58 1HD2 LEU 9 HD2 LEU 9 7.223 6.019 4.105 59 2HD2 LEU 9 HD2 LEU 9 7.233 7.438 5.186 60 3HD2 LEU 9 HD2 LEU 9 6.631 7.619 3.523 61 H VAL 10 HN VAL 10 2.063 5.811 1.781 62 HA VAL 10 HA VAL 10 2.965 3.797 -0.219 63 HB VAL 10 HB VAL 10 0.625 3.135 -0.199 64 1HG1 VAL 10 HG1 VAL 10 1.866 3.563 2.552 65 2HG1 VAL 10 HG1 VAL 10 2.180 2.193 1.440 66 3HG1 VAL 10 HG1 VAL 10 0.579 2.379 2.215 67 1HG2 VAL 10 HG2 VAL 10 -0.942 4.092 1.478 68 2HG2 VAL 10 HG2 VAL 10 -0.505 5.196 0.131 69 3HG2 VAL 10 HG2 VAL 10 0.215 5.423 1.741 70 H ARG 11 HN ARG 11 2.435 6.984 -0.328 71 HA ARG 11 HA ARG 11 0.801 7.241 -2.703 72 1HB ARG 11 HB2 ARG 11 1.789 9.004 -0.768 73 2HB ARG 11 HB1 ARG 11 2.722 9.440 -2.169 74 1HG ARG 11 HG2 ARG 11 0.796 10.848 -2.141 75 2HG ARG 11 HG1 ARG 11 0.556 9.704 -3.453 76 1HD ARG 11 HD2 ARG 11 -1.144 8.498 -2.255 77 2HD ARG 11 HD1 ARG 11 -0.559 9.019 -0.692 78 HE ARG 11 HE ARG 11 -1.371 11.361 -1.336 79 1HH1 ARG 11 HH1 ARG 11 -2.254 10.452 -4.085 80 2HH1 ARG 11 HH1 ARG 11 -3.956 10.314 -3.879 81 1HH2 ARG 11 HH2 ARG 11 -3.555 10.348 -0.356 82 2HH2 ARG 11 HH2 ARG 11 -4.806 10.322 -1.543 83 HA PRO 12 HA PRO 12 4.978 7.798 -4.977 84 1HB PRO 12 HB2 PRO 12 7.146 6.377 -4.152 85 2HB PRO 12 HB1 PRO 12 6.783 7.974 -3.498 86 1HG PRO 12 HG2 PRO 12 6.046 5.241 -2.301 87 2HG PRO 12 HG1 PRO 12 6.830 6.601 -1.506 88 1HD PRO 12 HD2 PRO 12 4.201 6.219 -1.288 89 2HD PRO 12 HD1 PRO 12 4.799 7.890 -1.398 90 H CYS 13 HN CYS 13 3.967 4.591 -3.667 91 HA CYS 13 HA CYS 13 4.938 3.342 -6.114 92 1HB CYS 13 HB2 CYS 13 3.922 2.559 -3.477 93 2HB CYS 13 HB1 CYS 13 3.221 1.673 -4.697 94 H LEU 14 HN LEU 14 2.351 5.273 -5.544 95 HA LEU 14 HA LEU 14 0.266 3.818 -6.965 96 1HB LEU 14 HB2 LEU 14 0.615 6.421 -5.626 97 2HB LEU 14 HB1 LEU 14 -0.161 6.666 -7.160 98 HG LEU 14 HG LEU 14 -1.953 5.057 -6.476 99 1HD1 LEU 14 HD1 LEU 14 -0.533 5.214 -3.789 100 2HD1 LEU 14 HD1 LEU 14 -0.613 3.765 -4.832 101 3HD1 LEU 14 HD1 LEU 14 -2.102 4.406 -4.090 102 1HD2 LEU 14 HD2 LEU 14 -2.947 6.685 -4.868 103 2HD2 LEU 14 HD2 LEU 14 -2.108 7.483 -6.221 104 3HD2 LEU 14 HD2 LEU 14 -1.315 7.366 -4.617 105 H SER 15 HN SER 15 2.773 6.042 -7.819 106 HA SER 15 HA SER 15 2.022 6.842 -10.437 107 1HB SER 15 HB2 SER 15 4.109 7.729 -9.278 108 2HB SER 15 HB1 SER 15 4.889 6.166 -9.523 109 HG SER 15 HG SER 15 5.093 6.616 -11.673 110 H TYR 16 HN TYR 16 3.255 3.802 -9.337 111 HA TYR 16 HA TYR 16 3.690 2.814 -12.089 112 1HB TYR 16 HB2 TYR 16 5.226 2.189 -10.257 113 2HB TYR 16 HB1 TYR 16 3.921 1.449 -9.369 114 HD1 TYR 16 HD1 TYR 16 4.869 1.245 -13.025 115 HD2 TYR 16 HD2 TYR 16 4.237 -0.839 -9.378 116 HE1 TYR 16 HE1 TYR 16 5.167 -0.866 -14.183 117 HE2 TYR 16 HE2 TYR 16 4.535 -2.953 -10.536 118 HH TYR 16 HH TYR 16 4.167 -3.268 -13.626 119 H VAL 17 HN VAL 17 1.663 2.120 -9.359 120 HA VAL 17 HA VAL 17 0.040 0.075 -10.439 121 HB VAL 17 HB VAL 17 -1.062 2.284 -8.659 122 1HG1 VAL 17 HG1 VAL 17 -2.493 0.424 -7.823 123 2HG1 VAL 17 HG1 VAL 17 -1.740 -0.633 -9.060 124 3HG1 VAL 17 HG1 VAL 17 -2.744 0.749 -9.564 125 1HG2 VAL 17 HG2 VAL 17 -0.349 0.799 -6.783 126 2HG2 VAL 17 HG2 VAL 17 0.965 1.488 -7.742 127 3HG2 VAL 17 HG2 VAL 17 0.499 -0.224 -7.997 128 H GLN 18 HN GLN 18 -0.281 3.621 -11.032 129 HA GLN 18 HA GLN 18 -2.766 3.451 -12.339 130 1HB GLN 18 HB2 GLN 18 -2.059 5.618 -13.108 131 2HB GLN 18 HB1 GLN 18 -1.847 5.510 -11.379 132 1HG GLN 18 HG2 GLN 18 0.508 5.406 -11.601 133 2HG GLN 18 HG1 GLN 18 0.492 4.936 -13.289 134 1HE2 GLN 18 HE2 GLN 18 -1.683 7.505 -12.475 135 2HE2 GLN 18 HE2 GLN 18 -0.689 8.749 -13.081 136 H GLY 19 HN GLY 19 0.391 2.562 -13.344 137 1HA GLY 19 HA2 GLY 19 0.728 1.247 -15.331 138 2HA GLY 19 HA1 GLY 19 -0.592 2.073 -16.134 139 H GLY 20 HN GLY 20 2.222 3.223 -14.285 140 1HA GLY 20 HA2 GLY 20 3.342 4.513 -16.747 141 2HA GLY 20 HA1 GLY 20 3.111 5.456 -15.262 142 HA PRO 21 HA PRO 21 7.279 3.410 -15.139 143 1HB PRO 21 HB2 PRO 21 8.850 5.628 -14.950 144 2HB PRO 21 HB1 PRO 21 8.244 5.081 -16.519 145 1HG PRO 21 HG2 PRO 21 6.964 7.162 -14.646 146 2HG PRO 21 HG1 PRO 21 7.421 7.394 -16.341 147 1HD PRO 21 HD2 PRO 21 4.870 6.706 -15.704 148 2HD PRO 21 HD1 PRO 21 5.630 5.936 -17.117 149 H GLY 22 HN GLY 22 8.313 2.936 -13.128 150 1HA GLY 22 HA2 GLY 22 8.706 4.271 -10.880 151 2HA GLY 22 HA1 GLY 22 6.961 4.023 -10.783 152 HA PRO 23 HA PRO 23 6.292 3.358 -8.887 153 1HB PRO 23 HB2 PRO 23 7.010 2.637 -6.343 154 2HB PRO 23 HB1 PRO 23 5.840 1.719 -7.291 155 1HG PRO 23 HG2 PRO 23 8.861 1.134 -6.987 156 2HG PRO 23 HG1 PRO 23 7.499 0.039 -6.786 157 1HD PRO 23 HD2 PRO 23 8.759 0.104 -9.210 158 2HD PRO 23 HD1 PRO 23 6.990 0.022 -9.120 159 H SER 24 HN SER 24 9.288 2.864 -7.135 160 HA SER 24 HA SER 24 10.726 5.209 -7.936 161 1HB SER 24 HB2 SER 24 10.272 6.638 -5.873 162 2HB SER 24 HB1 SER 24 8.817 6.465 -6.867 163 HG SER 24 HG SER 24 8.154 4.811 -5.622 164 H GLY 25 HN GLY 25 12.569 5.646 -6.556 165 1HA GLY 25 HA2 GLY 25 13.490 3.126 -5.304 166 2HA GLY 25 HA1 GLY 25 14.474 4.579 -5.571 167 H GLN 26 HN GLN 26 11.494 5.449 -4.321 168 HA GLN 26 HA GLN 26 12.669 5.641 -1.528 169 1HB GLN 26 HB2 GLN 26 10.320 7.281 -2.613 170 2HB GLN 26 HB1 GLN 26 11.291 7.611 -1.197 171 1HG GLN 26 HG2 GLN 26 13.300 8.017 -2.664 172 2HG GLN 26 HG1 GLN 26 12.285 7.807 -4.085 173 1HE2 GLN 26 HE2 GLN 26 10.983 9.629 -4.722 174 2HE2 GLN 26 HE2 GLN 26 10.897 11.035 -3.778 175 H CYS 27 HN CYS 27 9.939 4.508 -3.438 176 HA CYS 27 HA CYS 27 8.089 4.046 -1.363 177 1HB CYS 27 HB2 CYS 27 7.573 3.742 -3.813 178 2HB CYS 27 HB1 CYS 27 8.640 2.382 -3.858 179 H CYS 28 HN CYS 28 10.635 1.822 -2.533 180 HA CYS 28 HA CYS 28 9.933 -0.225 -0.673 181 1HB CYS 28 HB2 CYS 28 12.538 0.416 -2.117 182 2HB CYS 28 HB1 CYS 28 12.327 -1.017 -1.128 183 H ASP 29 HN ASP 29 11.625 2.692 -0.114 184 HA ASP 29 HA ASP 29 12.730 1.703 2.445 185 1HB ASP 29 HB2 ASP 29 13.942 3.502 0.873 186 2HB ASP 29 HB1 ASP 29 12.683 4.567 1.424 187 H GLY 30 HN GLY 30 10.462 4.111 1.247 188 1HA GLY 30 HA2 GLY 30 9.428 4.933 3.780 189 2HA GLY 30 HA1 GLY 30 8.649 5.186 2.224 190 H VAL 31 HN VAL 31 8.302 2.446 1.533 191 HA VAL 31 HA VAL 31 5.961 1.904 3.164 192 HB VAL 31 HB VAL 31 7.087 0.470 0.701 193 1HG1 VAL 31 HG1 VAL 31 4.300 0.548 1.910 194 2HG1 VAL 31 HG1 VAL 31 5.419 -0.846 1.948 195 3HG1 VAL 31 HG1 VAL 31 4.772 -0.271 0.388 196 1HG2 VAL 31 HG2 VAL 31 5.460 1.783 -0.542 197 2HG2 VAL 31 HG2 VAL 31 6.614 2.867 0.283 198 3HG2 VAL 31 HG2 VAL 31 4.973 2.636 0.954 199 H LYS 32 HN LYS 32 9.162 0.331 2.585 200 HA LYS 32 HA LYS 32 8.524 -2.024 4.072 201 1HB LYS 32 HB2 LYS 32 10.432 -1.590 2.530 202 2HB LYS 32 HB1 LYS 32 11.179 -0.565 3.753 203 1HG LYS 32 HG2 LYS 32 11.265 -2.571 5.250 204 2HG LYS 32 HG1 LYS 32 10.525 -3.535 3.970 205 1HD LYS 32 HD2 LYS 32 12.412 -2.595 2.438 206 2HD LYS 32 HD1 LYS 32 13.194 -2.045 3.910 207 1HE LYS 32 HE2 LYS 32 13.270 -4.429 4.709 208 2HE LYS 32 HE1 LYS 32 12.478 -4.930 3.213 209 1HZ LYS 32 HZ1 LYS 32 15.205 -4.504 3.628 210 2HZ LYS 32 HZ2 LYS 32 14.677 -3.265 2.597 211 3HZ LYS 32 HZ3 LYS 32 14.408 -4.886 2.172 212 H ASN 33 HN ASN 33 9.841 1.163 4.985 213 HA ASN 33 HA ASN 33 10.258 0.635 7.738 214 1HB ASN 33 HB2 ASN 33 9.717 3.128 6.087 215 2HB ASN 33 HB1 ASN 33 9.559 3.257 7.820 216 1HD2 ASN 33 HD2 ASN 33 11.909 3.216 5.304 217 2HD2 ASN 33 HD2 ASN 33 13.271 3.066 6.302 218 H LEU 34 HN LEU 34 7.394 2.043 6.174 219 HA LEU 34 HA LEU 34 5.791 2.167 8.479 220 1HB LEU 34 HB2 LEU 34 5.263 3.053 6.113 221 2HB LEU 34 HB1 LEU 34 4.808 1.434 5.682 222 HG LEU 34 HG LEU 34 2.888 2.908 6.227 223 1HD1 LEU 34 HD1 LEU 34 2.658 0.462 6.466 224 2HD1 LEU 34 HD1 LEU 34 1.626 1.398 7.595 225 3HD1 LEU 34 HD1 LEU 34 3.087 0.613 8.205 226 1HD2 LEU 34 HD2 LEU 34 3.850 4.254 7.996 227 2HD2 LEU 34 HD2 LEU 34 4.032 2.800 9.030 228 3HD2 LEU 34 HD2 LEU 34 2.414 3.357 8.626 229 H HIS 35 HN HIS 35 5.852 -0.427 6.054 230 HA HIS 35 HA HIS 35 4.155 -2.251 7.326 231 1HB HIS 35 HB2 HIS 35 4.987 -2.624 5.145 232 2HB HIS 35 HB1 HIS 35 6.633 -2.702 5.603 233 HD1 HIS 35 HD1 HIS 35 4.876 -4.677 8.028 234 HD2 HIS 35 HD2 HIS 35 6.060 -5.363 4.178 235 HE1 HIS 35 HE1 HIS 35 4.838 -7.108 7.716 236 H ASN 36 HN ASN 36 7.608 -1.971 7.655 237 HA ASN 36 HA ASN 36 7.977 -4.015 9.627 238 1HB ASN 36 HB2 ASN 36 9.797 -2.560 8.277 239 2HB ASN 36 HB1 ASN 36 9.784 -1.591 9.747 240 1HD2 ASN 36 HD2 ASN 36 11.880 -3.487 8.715 241 2HD2 ASN 36 HD2 ASN 36 12.134 -4.588 9.994 242 H GLN 37 HN GLN 37 7.211 -0.596 9.972 243 HA GLN 37 HA GLN 37 7.412 -0.575 12.869 244 1HB GLN 37 HB2 GLN 37 5.997 1.303 10.876 245 2HB GLN 37 HB1 GLN 37 6.131 1.640 12.584 246 1HG GLN 37 HG2 GLN 37 8.512 1.866 12.480 247 2HG GLN 37 HG1 GLN 37 8.628 1.104 10.913 248 1HE2 GLN 37 HE2 GLN 37 9.085 4.074 12.178 249 2HE2 GLN 37 HE2 GLN 37 8.436 5.032 10.934 250 H ALA 38 HN ALA 38 4.864 -1.181 10.578 251 HA ALA 38 HA ALA 38 2.703 -1.231 12.489 252 1HB ALA 38 HB1 ALA 38 2.410 -0.871 10.085 253 2HB ALA 38 HB2 ALA 38 1.431 -2.271 10.606 254 3HB ALA 38 HB3 ALA 38 2.986 -2.534 9.759 255 H ARG 39 HN ARG 39 3.658 -2.457 14.142 256 HA ARG 39 HA ARG 39 3.873 -5.402 13.690 257 1HB ARG 39 HB2 ARG 39 5.392 -3.762 15.224 258 2HB ARG 39 HB1 ARG 39 4.190 -4.151 16.408 259 1HG ARG 39 HG2 ARG 39 5.384 -6.000 16.920 260 2HG ARG 39 HG1 ARG 39 4.742 -6.711 15.458 261 1HD ARG 39 HD2 ARG 39 7.376 -5.148 15.740 262 2HD ARG 39 HD1 ARG 39 7.232 -6.872 15.435 263 HE ARG 39 HE ARG 39 6.070 -4.897 13.502 264 1HH1 ARG 39 HH1 ARG 39 6.704 -8.031 13.629 265 2HH1 ARG 39 HH1 ARG 39 7.782 -8.140 12.276 266 1HH2 ARG 39 HH2 ARG 39 8.061 -4.600 12.141 267 2HH2 ARG 39 HH2 ARG 39 8.603 -5.993 11.347 268 H SER 40 HN SER 40 1.536 -3.188 14.717 269 HA SER 40 HA SER 40 0.089 -5.351 16.191 270 1HB SER 40 HB2 SER 40 -0.352 -2.315 16.372 271 2HB SER 40 HB1 SER 40 -1.055 -3.547 17.433 272 HG SER 40 HG SER 40 0.767 -3.362 18.516 273 H GLN 41 HN GLN 41 -2.476 -4.745 16.063 274 HA GLN 41 HA GLN 41 -3.169 -5.197 13.263 275 1HB GLN 41 HB2 GLN 41 -4.394 -6.336 15.152 276 2HB GLN 41 HB1 GLN 41 -4.929 -4.769 15.748 277 1HG GLN 41 HG2 GLN 41 -6.207 -4.401 13.622 278 2HG GLN 41 HG1 GLN 41 -5.708 -5.996 13.065 279 1HE2 GLN 41 HE2 GLN 41 -7.658 -7.331 13.333 280 2HE2 GLN 41 HE2 GLN 41 -8.468 -7.364 14.816 281 H SER 42 HN SER 42 -3.555 -2.586 15.632 282 HA SER 42 HA SER 42 -5.107 -0.792 14.205 283 1HB SER 42 HB2 SER 42 -2.673 -0.023 15.904 284 2HB SER 42 HB1 SER 42 -4.171 0.897 15.674 285 HG SER 42 HG SER 42 -4.889 -0.273 17.322 286 H ASP 43 HN ASP 43 -1.511 -0.919 14.089 287 HA ASP 43 HA ASP 43 -1.371 1.070 12.045 288 1HB ASP 43 HB2 ASP 43 0.637 0.159 13.549 289 2HB ASP 43 HB1 ASP 43 0.714 -1.094 12.352 290 H ARG 44 HN ARG 44 -2.148 -2.258 11.868 291 HA ARG 44 HA ARG 44 -1.510 -2.433 8.989 292 1HB ARG 44 HB2 ARG 44 -2.794 -4.365 10.956 293 2HB ARG 44 HB1 ARG 44 -2.746 -4.679 9.240 294 1HG ARG 44 HG2 ARG 44 -0.198 -4.371 9.335 295 2HG ARG 44 HG1 ARG 44 -0.350 -4.279 11.087 296 1HD ARG 44 HD2 ARG 44 -1.299 -6.494 11.234 297 2HD ARG 44 HD1 ARG 44 -1.568 -6.563 9.512 298 HE ARG 44 HE ARG 44 0.920 -6.662 9.211 299 1HH1 ARG 44 HH1 ARG 44 -0.318 -8.930 10.605 300 2HH1 ARG 44 HH1 ARG 44 0.835 -9.351 11.840 301 1HH2 ARG 44 HH2 ARG 44 2.261 -6.015 11.516 302 2HH2 ARG 44 HH2 ARG 44 2.424 -7.456 12.427 303 H GLN 45 HN GLN 45 -4.224 -2.023 11.059 304 HA GLN 45 HA GLN 45 -6.304 -2.213 9.036 305 1HB GLN 45 HB2 GLN 45 -6.137 -2.143 11.840 306 2HB GLN 45 HB1 GLN 45 -6.786 -0.564 11.484 307 1HG GLN 45 HG2 GLN 45 -8.715 -1.549 10.366 308 2HG GLN 45 HG1 GLN 45 -8.023 -3.168 10.550 309 1HE2 GLN 45 HE2 GLN 45 -8.403 -4.209 12.506 310 2HE2 GLN 45 HE2 GLN 45 -9.043 -3.442 13.882 311 H SER 46 HN SER 46 -4.660 0.436 10.709 312 HA SER 46 HA SER 46 -5.937 2.606 9.366 313 1HB SER 46 HB2 SER 46 -3.203 2.336 10.674 314 2HB SER 46 HB1 SER 46 -3.801 3.869 10.028 315 HG SER 46 HG SER 46 -4.788 3.994 11.792 316 H ALA 47 HN ALA 47 -2.704 1.287 8.720 317 HA ALA 47 HA ALA 47 -2.272 2.798 6.383 318 1HB ALA 47 HB1 ALA 47 -1.349 0.004 7.174 319 2HB ALA 47 HB2 ALA 47 -0.528 1.525 7.624 320 3HB ALA 47 HB3 ALA 47 -0.561 0.990 5.911 321 H CYS 48 HN CYS 48 -4.050 -0.188 6.712 322 HA CYS 48 HA CYS 48 -4.251 -0.781 3.927 323 1HB CYS 48 HB2 CYS 48 -5.332 -1.756 6.400 324 2HB CYS 48 HB1 CYS 48 -6.684 -1.433 5.375 325 H ASN 49 HN ASN 49 -6.276 1.151 6.079 326 HA ASN 49 HA ASN 49 -8.254 1.954 4.213 327 1HB ASN 49 HB2 ASN 49 -7.080 3.417 6.617 328 2HB ASN 49 HB1 ASN 49 -8.496 4.009 5.776 329 1HD2 ASN 49 HD2 ASN 49 -7.585 1.898 8.207 330 2HD2 ASN 49 HD2 ASN 49 -9.134 1.198 8.272 331 H CYS 50 HN CYS 50 -5.058 3.261 4.745 332 HA CYS 50 HA CYS 50 -5.183 5.579 3.120 333 1HB CYS 50 HB2 CYS 50 -2.831 3.674 3.343 334 2HB CYS 50 HB1 CYS 50 -2.790 5.360 2.925 335 H LEU 51 HN LEU 51 -4.164 2.332 2.172 336 HA LEU 51 HA LEU 51 -4.136 3.046 -0.657 337 1HB LEU 51 HB2 LEU 51 -3.797 0.501 0.957 338 2HB LEU 51 HB1 LEU 51 -3.836 0.464 -0.791 339 HG LEU 51 HG LEU 51 -2.120 2.628 0.476 340 1HD1 LEU 51 HD1 LEU 51 -1.232 -0.261 0.301 341 2HD1 LEU 51 HD1 LEU 51 -1.477 0.732 1.767 342 3HD1 LEU 51 HD1 LEU 51 -0.182 1.153 0.603 343 1HD2 LEU 51 HD2 LEU 51 -0.724 2.242 -1.470 344 2HD2 LEU 51 HD2 LEU 51 -2.426 2.480 -1.934 345 3HD2 LEU 51 HD2 LEU 51 -1.730 0.828 -1.909 346 H LYS 52 HN LYS 52 -6.503 1.541 1.446 347 HA LYS 52 HA LYS 52 -8.269 0.708 -0.666 348 1HB LYS 52 HB2 LYS 52 -8.749 1.296 2.289 349 2HB LYS 52 HB1 LYS 52 -10.022 0.684 1.231 350 1HG LYS 52 HG2 LYS 52 -8.563 -1.273 0.610 351 2HG LYS 52 HG1 LYS 52 -7.309 -0.649 1.646 352 1HD LYS 52 HD2 LYS 52 -8.123 -2.023 3.185 353 2HD LYS 52 HD1 LYS 52 -9.321 -0.795 3.485 354 1HE LYS 52 HE2 LYS 52 -11.075 -1.985 2.440 355 2HE LYS 52 HE1 LYS 52 -9.991 -2.897 1.402 356 1HZ LYS 52 HZ1 LYS 52 -11.024 -3.705 3.917 357 2HZ LYS 52 HZ2 LYS 52 -9.340 -3.538 4.037 358 3HZ LYS 52 HZ3 LYS 52 -9.990 -4.520 2.838 359 H GLY 53 HN GLY 53 -8.332 3.663 1.358 360 1HA GLY 53 HA2 GLY 53 -10.627 4.819 0.108 361 2HA GLY 53 HA1 GLY 53 -9.385 5.710 1.010 362 H ILE 54 HN ILE 54 -7.106 5.043 -0.531 363 HA ILE 54 HA ILE 54 -7.210 6.920 -2.625 364 HB ILE 54 HB ILE 54 -5.370 4.570 -2.009 365 1HG1 ILE 54 HG1 ILE 54 -4.781 7.572 -2.019 366 2HG1 ILE 54 HG1 ILE 54 -5.293 6.710 -0.595 367 1HG2 ILE 54 HG2 ILE 54 -5.384 4.775 -4.428 368 2HG2 ILE 54 HG2 ILE 54 -3.848 5.321 -3.722 369 3HG2 ILE 54 HG2 ILE 54 -5.055 6.528 -4.291 370 1HD1 ILE 54 HD1 ILE 54 -2.731 6.076 -2.184 371 2HD1 ILE 54 HD1 ILE 54 -3.295 5.240 -0.707 372 3HD1 ILE 54 HD1 ILE 54 -2.838 6.960 -0.632 373 H ALA 55 HN ALA 55 -7.036 3.370 -3.027 374 HA ALA 55 HA ALA 55 -7.465 3.116 -5.707 375 1HB ALA 55 HB1 ALA 55 -8.747 1.533 -3.449 376 2HB ALA 55 HB2 ALA 55 -7.131 1.269 -4.169 377 3HB ALA 55 HB3 ALA 55 -8.600 0.960 -5.139 378 H ARG 56 HN ARG 56 -9.923 3.784 -3.334 379 HA ARG 56 HA ARG 56 -12.233 3.535 -4.957 380 1HB ARG 56 HB2 ARG 56 -11.971 3.902 -2.369 381 2HB ARG 56 HB1 ARG 56 -11.899 5.603 -2.747 382 1HG ARG 56 HG2 ARG 56 -14.231 3.914 -3.694 383 2HG ARG 56 HG1 ARG 56 -14.187 4.558 -2.070 384 1HD ARG 56 HD2 ARG 56 -14.019 6.885 -2.980 385 2HD ARG 56 HD1 ARG 56 -14.088 6.266 -4.622 386 HE ARG 56 HE ARG 56 -16.338 5.919 -2.668 387 1HH1 ARG 56 HH2 ARG 56 -16.176 8.165 -4.628 388 2HH1 ARG 56 HH2 ARG 56 -17.151 7.640 -5.941 389 1HH2 ARG 56 HH1 ARG 56 -17.023 4.294 -4.741 390 2HH2 ARG 56 HH1 ARG 56 -17.727 5.260 -5.981 391 H GLY 57 HN GLY 57 -9.988 6.191 -4.757 392 1HA GLY 57 HA2 GLY 57 -11.692 7.843 -6.567 393 2HA GLY 57 HA1 GLY 57 -10.268 8.407 -5.698 394 H ILE 58 HN ILE 58 -10.243 5.382 -7.529 395 HA ILE 58 HA ILE 58 -8.377 6.717 -9.449 396 HB ILE 58 HB ILE 58 -8.717 3.773 -8.762 397 1HG1 ILE 58 HG1 ILE 58 -7.863 5.100 -6.855 398 2HG1 ILE 58 HG1 ILE 58 -6.682 3.967 -7.435 399 1HG2 ILE 58 HG2 ILE 58 -6.574 5.190 -10.388 400 2HG2 ILE 58 HG2 ILE 58 -7.824 4.059 -10.992 401 3HG2 ILE 58 HG2 ILE 58 -6.566 3.476 -9.870 402 1HD1 ILE 58 HD1 ILE 58 -5.536 5.843 -8.688 403 2HD1 ILE 58 HD1 ILE 58 -5.646 6.154 -6.932 404 3HD1 ILE 58 HD1 ILE 58 -6.776 6.970 -8.037 405 H HIS 59 HN HIS 59 -8.641 6.284 -11.662 406 HA HIS 59 HA HIS 59 -11.453 5.685 -12.396 407 1HB HIS 59 HB2 HIS 59 -10.167 7.698 -13.394 408 2HB HIS 59 HB1 HIS 59 -9.234 6.531 -14.330 409 HD1 HIS 59 HD1 HIS 59 -11.901 4.672 -14.690 410 HD2 HIS 59 HD2 HIS 59 -11.502 8.613 -15.726 411 HE1 HIS 59 HE1 HIS 59 -13.587 5.116 -16.431 412 H ASN 60 HN ASN 60 -8.184 4.588 -13.233 413 HA ASN 60 HA ASN 60 -9.347 1.931 -14.019 414 1HB ASN 60 HB2 ASN 60 -8.705 3.290 -16.078 415 2HB ASN 60 HB1 ASN 60 -7.048 3.303 -15.488 416 1HD2 ASN 60 HD2 ASN 60 -5.972 1.148 -15.276 417 2HD2 ASN 60 HD2 ASN 60 -6.496 -0.134 -16.277 418 H LEU 61 HN LEU 61 -8.676 1.516 -11.737 419 HA LEU 61 HA LEU 61 -5.938 1.598 -10.916 420 1HB LEU 61 HB2 LEU 61 -8.058 1.335 -9.474 421 2HB LEU 61 HB1 LEU 61 -8.124 -0.326 -10.008 422 HG LEU 61 HG LEU 61 -5.585 0.631 -8.630 423 1HD1 LEU 61 HD1 LEU 61 -6.628 0.064 -6.470 424 2HD1 LEU 61 HD1 LEU 61 -8.185 -0.230 -7.302 425 3HD1 LEU 61 HD1 LEU 61 -7.474 1.413 -7.273 426 1HD2 LEU 61 HD2 LEU 61 -5.696 -1.654 -9.598 427 2HD2 LEU 61 HD2 LEU 61 -7.143 -1.975 -8.597 428 3HD2 LEU 61 HD2 LEU 61 -5.558 -1.671 -7.820 429 H ASN 62 HN ASN 62 -4.280 0.083 -11.084 430 HA ASN 62 HA ASN 62 -4.816 -2.238 -12.916 431 1HB ASN 62 HB2 ASN 62 -3.192 -0.350 -13.721 432 2HB ASN 62 HB1 ASN 62 -2.215 -0.876 -12.356 433 1HD2 ASN 62 HD2 ASN 62 -2.505 -1.374 -15.604 434 2HD2 ASN 62 HD2 ASN 62 -1.650 -2.838 -15.625 435 H GLU 63 HN GLU 63 -4.696 -4.108 -11.884 436 HA GLU 63 HA GLU 63 -3.554 -4.373 -9.186 437 1HB GLU 63 HB2 GLU 63 -5.196 -6.118 -11.015 438 2HB GLU 63 HB1 GLU 63 -4.042 -6.993 -10.059 439 1HG GLU 63 HG2 GLU 63 -5.973 -5.096 -8.724 440 2HG GLU 63 HG1 GLU 63 -6.421 -6.735 -9.103 441 H ASP 64 HN ASP 64 -2.713 -5.277 -12.449 442 HA ASP 64 HA ASP 64 -0.576 -7.039 -11.997 443 1HB ASP 64 HB2 ASP 64 -1.647 -6.183 -14.283 444 2HB ASP 64 HB1 ASP 64 -0.439 -4.917 -14.194 445 H ASN 65 HN ASN 65 -0.455 -3.555 -12.071 446 HA ASN 65 HA ASN 65 2.422 -3.538 -11.487 447 1HB ASN 65 HB2 ASN 65 0.297 -1.401 -11.674 448 2HB ASN 65 HB1 ASN 65 1.997 -0.985 -11.432 449 1HD2 ASN 65 HD2 ASN 65 0.010 -0.646 -13.798 450 2HD2 ASN 65 HD2 ASN 65 0.846 -1.335 -15.115 451 H ALA 66 HN ALA 66 -0.555 -2.695 -9.653 452 HA ALA 66 HA ALA 66 0.521 -2.039 -7.157 453 1HB ALA 66 HB1 ALA 66 -1.908 -3.793 -7.670 454 2HB ALA 66 HB2 ALA 66 -1.907 -2.000 -7.647 455 3HB ALA 66 HB3 ALA 66 -1.519 -2.899 -6.167 456 H ARG 67 HN ARG 67 -0.132 -5.232 -8.426 457 HA ARG 67 HA ARG 67 0.816 -6.675 -6.116 458 1HB ARG 67 HB2 ARG 67 -0.983 -7.348 -7.569 459 2HB ARG 67 HB1 ARG 67 0.059 -7.251 -8.960 460 1HG ARG 67 HG2 ARG 67 1.332 -9.129 -7.305 461 2HG ARG 67 HG1 ARG 67 -0.391 -9.460 -7.117 462 1HD ARG 67 HD2 ARG 67 1.059 -9.120 -9.811 463 2HD ARG 67 HD1 ARG 67 0.595 -10.660 -9.138 464 HE ARG 67 HE ARG 67 -1.552 -8.596 -9.648 465 1HH1 ARG 67 HH2 ARG 67 -1.705 -11.446 -8.768 466 2HH1 ARG 67 HH2 ARG 67 -2.206 -12.310 -10.177 467 1HH2 ARG 67 HH1 ARG 67 -1.423 -9.463 -12.189 468 2HH2 ARG 67 HH1 ARG 67 -2.037 -11.064 -12.290 469 H SER 68 HN SER 68 2.234 -5.366 -8.988 470 HA SER 68 HA SER 68 4.647 -7.054 -8.805 471 1HB SER 68 HB2 SER 68 3.829 -4.848 -10.721 472 2HB SER 68 HB1 SER 68 5.461 -5.545 -10.735 473 HG SER 68 HG SER 68 3.035 -6.630 -11.400 474 H ILE 69 HN ILE 69 3.677 -4.453 -7.061 475 HA ILE 69 HA ILE 69 6.246 -3.031 -6.941 476 HB ILE 69 HB ILE 69 3.592 -2.865 -5.402 477 1HG1 ILE 69 HG1 ILE 69 4.979 -0.913 -7.241 478 2HG1 ILE 69 HG1 ILE 69 3.742 -2.050 -7.741 479 1HG2 ILE 69 HG2 ILE 69 6.077 -1.198 -5.015 480 2HG2 ILE 69 HG2 ILE 69 5.421 -2.333 -3.798 481 3HG2 ILE 69 HG2 ILE 69 4.479 -0.895 -4.259 482 1HD1 ILE 69 HD1 ILE 69 3.414 0.108 -5.630 483 2HD1 ILE 69 HD1 ILE 69 2.117 -1.001 -6.169 484 3HD1 ILE 69 HD1 ILE 69 2.812 0.207 -7.302 485 HA PRO 70 HA PRO 70 6.550 -5.135 -2.668 486 1HB PRO 70 HB2 PRO 70 4.944 -7.359 -2.162 487 2HB PRO 70 HB1 PRO 70 4.572 -5.703 -1.660 488 1HG PRO 70 HG2 PRO 70 3.526 -7.210 -4.106 489 2HG PRO 70 HG1 PRO 70 2.668 -6.179 -2.984 490 1HD PRO 70 HD2 PRO 70 3.475 -5.180 -5.334 491 2HD PRO 70 HD1 PRO 70 3.495 -4.190 -3.862 492 HA PRO 71 HA PRO 71 7.865 -9.444 -4.405 493 1HB PRO 71 HB2 PRO 71 7.700 -9.762 -7.156 494 2HB PRO 71 HB1 PRO 71 6.442 -10.303 -6.044 495 1HG PRO 71 HG2 PRO 71 6.580 -7.646 -7.576 496 2HG PRO 71 HG1 PRO 71 5.252 -8.796 -7.466 497 1HD PRO 71 HD2 PRO 71 5.226 -6.688 -5.840 498 2HD PRO 71 HD1 PRO 71 4.782 -8.280 -5.198 499 H LYS 72 HN LYS 72 8.244 -6.971 -6.926 500 HA LYS 72 HA LYS 72 11.031 -7.454 -7.320 501 1HB LYS 72 HB2 LYS 72 11.197 -5.247 -8.197 502 2HB LYS 72 HB1 LYS 72 9.824 -6.075 -8.952 503 1HG LYS 72 HG2 LYS 72 8.307 -4.824 -7.335 504 2HG LYS 72 HG1 LYS 72 9.670 -3.944 -6.732 505 1HD LYS 72 HD2 LYS 72 8.943 -3.834 -9.669 506 2HD LYS 72 HD1 LYS 72 8.202 -2.795 -8.488 507 1HE LYS 72 HE2 LYS 72 10.095 -1.620 -9.476 508 2HE LYS 72 HE1 LYS 72 10.429 -1.925 -7.780 509 1HZ LYS 72 HZ1 LYS 72 11.318 -4.075 -9.430 510 2HZ LYS 72 HZ2 LYS 72 12.221 -3.121 -8.349 511 3HZ LYS 72 HZ3 LYS 72 11.997 -2.619 -9.948 512 H CYS 73 HN CYS 73 9.354 -5.244 -5.188 513 HA CYS 73 HA CYS 73 11.624 -3.871 -4.178 514 1HB CYS 73 HB2 CYS 73 9.089 -3.383 -3.966 515 2HB CYS 73 HB1 CYS 73 9.083 -4.604 -2.787 516 H GLY 74 HN GLY 74 9.872 -6.665 -2.824 517 1HA GLY 74 HA2 GLY 74 10.934 -8.563 -1.777 518 2HA GLY 74 HA1 GLY 74 12.386 -7.582 -1.508 519 H VAL 75 HN VAL 75 9.097 -6.692 -1.034 520 HA VAL 75 HA VAL 75 9.513 -6.396 1.906 521 HB VAL 75 HB VAL 75 8.071 -4.696 -0.222 522 1HG1 VAL 75 HG1 VAL 75 6.684 -4.675 1.755 523 2HG1 VAL 75 HG1 VAL 75 7.454 -3.096 1.444 524 3HG1 VAL 75 HG1 VAL 75 8.083 -4.165 2.744 525 1HG2 VAL 75 HG2 VAL 75 10.475 -4.386 -0.084 526 2HG2 VAL 75 HG2 VAL 75 10.350 -4.063 1.671 527 3HG2 VAL 75 HG2 VAL 75 9.611 -2.935 0.498 528 H ASN 76 HN ASN 76 7.213 -7.155 -0.596 529 HA ASN 76 HA ASN 76 5.308 -8.567 -0.505 530 1HB ASN 76 HB2 ASN 76 7.168 -9.996 0.596 531 2HB ASN 76 HB1 ASN 76 6.436 -9.561 2.111 532 1HD2 ASN 76 HD2 ASN 76 4.140 -10.020 2.460 533 2HD2 ASN 76 HD2 ASN 76 3.439 -11.390 1.721 534 H LEU 77 HN LEU 77 4.161 -6.430 0.011 535 HA LEU 77 HA LEU 77 3.359 -5.967 2.775 536 1HB LEU 77 HB2 LEU 77 2.921 -4.629 0.154 537 2HB LEU 77 HB1 LEU 77 1.453 -4.738 1.009 538 HG LEU 77 HG LEU 77 2.167 -3.445 2.850 539 1HD1 LEU 77 HD1 LEU 77 4.374 -2.446 3.052 540 2HD1 LEU 77 HD1 LEU 77 4.902 -3.334 1.591 541 3HD1 LEU 77 HD1 LEU 77 4.494 -4.221 3.097 542 1HD2 LEU 77 HD2 LEU 77 2.761 -1.336 1.784 543 2HD2 LEU 77 HD2 LEU 77 1.493 -2.206 0.863 544 3HD2 LEU 77 HD2 LEU 77 3.187 -2.196 0.281 545 HA PRO 78 HA PRO 78 -0.103 -8.711 2.562 546 1HB PRO 78 HB2 PRO 78 -1.572 -7.961 4.720 547 2HB PRO 78 HB1 PRO 78 -0.005 -8.748 4.903 548 1HG PRO 78 HG2 PRO 78 -0.710 -5.845 5.302 549 2HG PRO 78 HG1 PRO 78 0.554 -6.788 6.063 550 1HD PRO 78 HD2 PRO 78 0.896 -5.014 3.831 551 2HD PRO 78 HD1 PRO 78 2.129 -6.122 4.481 552 H TYR 79 HN TYR 79 -0.273 -5.548 1.680 553 HA TYR 79 HA TYR 79 -2.737 -5.924 0.224 554 1HB TYR 79 HB2 TYR 79 -4.094 -4.125 1.425 555 2HB TYR 79 HB1 TYR 79 -3.736 -5.507 2.466 556 HD1 TYR 79 HD1 TYR 79 -2.337 -2.173 1.515 557 HD2 TYR 79 HD2 TYR 79 -2.714 -5.180 4.515 558 HE1 TYR 79 HE1 TYR 79 -1.124 -0.769 3.098 559 HE2 TYR 79 HE2 TYR 79 -1.506 -3.747 6.079 560 HH TYR 79 HH TYR 79 -0.152 -1.903 6.185 561 H THR 80 HN THR 80 -3.344 -3.875 -0.980 562 HA THR 80 HA THR 80 -1.275 -1.784 -1.123 563 HB THR 80 HB THR 80 -0.274 -3.563 -2.552 564 HG1 THR 80 HG1 THR 80 -0.006 -2.293 -4.246 565 1HG2 THR 80 HG2 THR 80 -2.849 -3.381 -4.178 566 2HG2 THR 80 HG2 THR 80 -2.418 -4.760 -3.122 567 3HG2 THR 80 HG2 THR 80 -1.406 -4.381 -4.540 568 H ILE 81 HN ILE 81 -2.071 -0.712 -3.589 569 HA ILE 81 HA ILE 81 -4.585 0.525 -2.823 570 HB ILE 81 HB ILE 81 -3.329 2.137 -3.836 571 1HG1 ILE 81 HG1 ILE 81 -3.995 0.862 -6.426 572 2HG1 ILE 81 HG1 ILE 81 -5.224 1.619 -5.424 573 1HG2 ILE 81 HG2 ILE 81 -1.528 1.808 -5.461 574 2HG2 ILE 81 HG2 ILE 81 -1.918 0.056 -5.470 575 3HG2 ILE 81 HG2 ILE 81 -1.282 0.855 -3.991 576 1HD1 ILE 81 HD1 ILE 81 -2.734 2.948 -6.578 577 2HD1 ILE 81 HD1 ILE 81 -3.890 3.715 -5.441 578 3HD1 ILE 81 HD1 ILE 81 -4.425 3.225 -7.076 579 H SER 82 HN SER 82 -5.980 -1.128 -2.786 580 HA SER 82 HA SER 82 -7.417 -1.835 -5.175 581 1HB SER 82 HB2 SER 82 -5.555 -3.391 -5.691 582 2HB SER 82 HB1 SER 82 -5.526 -3.987 -4.028 583 HG SER 82 HG SER 82 -6.667 -5.265 -5.654 584 H LEU 83 HN LEU 83 -8.669 -4.119 -4.440 585 HA LEU 83 HA LEU 83 -9.620 -3.778 -1.635 586 1HB LEU 83 HB2 LEU 83 -11.359 -3.716 -4.143 587 2HB LEU 83 HB1 LEU 83 -12.008 -4.090 -2.564 588 HG LEU 83 HG LEU 83 -10.587 -1.820 -1.925 589 1HD1 LEU 83 HD1 LEU 83 -9.868 -1.422 -4.245 590 2HD1 LEU 83 HD1 LEU 83 -10.905 -0.133 -3.592 591 3HD1 LEU 83 HD1 LEU 83 -11.585 -1.340 -4.731 592 1HD2 LEU 83 HD2 LEU 83 -13.386 -1.838 -3.074 593 2HD2 LEU 83 HD2 LEU 83 -12.660 -0.607 -1.995 594 3HD2 LEU 83 HD2 LEU 83 -12.922 -2.271 -1.399 595 H ASN 84 HN ASN 84 -7.930 -5.721 -2.442 596 HA ASN 84 HA ASN 84 -9.556 -8.227 -2.755 597 1HB ASN 84 HB2 ASN 84 -7.567 -7.583 -4.333 598 2HB ASN 84 HB1 ASN 84 -6.532 -7.897 -2.969 599 1HD2 ASN 84 HD2 ASN 84 -7.597 -9.282 -5.743 600 2HD2 ASN 84 HD2 ASN 84 -7.414 -10.919 -5.307 601 H ILE 85 HN ILE 85 -8.528 -6.436 -0.252 602 HA ILE 85 HA ILE 85 -8.098 -8.836 1.465 603 HB ILE 85 HB ILE 85 -6.472 -7.440 2.826 604 1HG1 ILE 85 HG1 ILE 85 -7.345 -5.213 1.703 605 2HG1 ILE 85 HG1 ILE 85 -5.693 -5.354 2.157 606 1HG2 ILE 85 HG2 ILE 85 -4.593 -7.732 1.287 607 2HG2 ILE 85 HG2 ILE 85 -5.747 -8.035 -0.046 608 3HG2 ILE 85 HG2 ILE 85 -5.690 -9.147 1.348 609 1HD1 ILE 85 HD1 ILE 85 -6.785 -5.802 -0.712 610 2HD1 ILE 85 HD1 ILE 85 -5.070 -5.875 -0.239 611 3HD1 ILE 85 HD1 ILE 85 -5.962 -4.331 -0.130 612 H ASP 86 HN ASP 86 -8.885 -8.711 3.574 613 HA ASP 86 HA ASP 86 -11.054 -6.740 3.865 614 1HB ASP 86 HB2 ASP 86 -11.028 -9.352 4.419 615 2HB ASP 86 HB1 ASP 86 -10.457 -8.788 5.983 616 H CYS 87 HN CYS 87 -7.789 -6.966 4.917 617 HA CYS 87 HA CYS 87 -6.576 -5.733 6.456 618 1HB CYS 87 HB2 CYS 87 -8.800 -3.749 6.135 619 2HB CYS 87 HB1 CYS 87 -7.156 -3.464 6.607 620 H SER 88 HN SER 88 -9.058 -7.310 7.468 621 HA SER 88 HA SER 88 -9.445 -5.929 10.085 622 1HB SER 88 HB2 SER 88 -11.353 -7.659 10.225 623 2HB SER 88 HB1 SER 88 -11.489 -6.558 8.834 624 HG SER 88 HG SER 88 -11.428 -8.399 7.783 625 H ARG 89 HN ARG 89 -8.668 -8.966 8.645 626 HA ARG 89 HA ARG 89 -7.499 -9.923 11.228 627 1HB ARG 89 HB2 ARG 89 -9.215 -11.087 9.206 628 2HB ARG 89 HB1 ARG 89 -7.813 -12.090 9.341 629 1HG ARG 89 HG2 ARG 89 -8.698 -11.418 12.060 630 2HG ARG 89 HG1 ARG 89 -10.120 -11.794 11.113 631 1HD ARG 89 HD2 ARG 89 -9.169 -13.858 12.091 632 2HD ARG 89 HD1 ARG 89 -9.026 -13.919 10.341 633 HE ARG 89 HE ARG 89 -6.627 -12.867 10.822 634 1HH1 ARG 89 HH1 ARG 89 -6.725 -15.657 10.633 635 2HH1 ARG 89 HH1 ARG 89 -6.106 -16.343 12.101 636 1HH2 ARG 89 HH2 ARG 89 -6.633 -13.158 13.664 637 2HH2 ARG 89 HH2 ARG 89 -6.014 -14.736 14.000 638 H VAL 90 HN VAL 90 -6.021 -8.223 9.408 639 HA VAL 90 HA VAL 90 -3.840 -10.120 8.622 640 HB VAL 90 HB VAL 90 -3.032 -8.293 7.112 641 1HG1 VAL 90 HG1 VAL 90 -4.838 -8.435 5.428 642 2HG1 VAL 90 HG1 VAL 90 -5.938 -9.048 6.706 643 3HG1 VAL 90 HG1 VAL 90 -4.504 -9.998 6.231 644 1HG2 VAL 90 HG2 VAL 90 -5.577 -6.881 7.938 645 2HG2 VAL 90 HG2 VAL 90 -4.445 -6.339 6.649 646 3HG2 VAL 90 HG2 VAL 90 -3.919 -6.405 8.358 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 -3.290 4.702 15.594 2 2H ILE 1 HT2 ILE 1 -2.626 3.603 14.482 3 3H ILE 1 HT3 ILE 1 -3.966 4.530 14.039 4 HA ILE 1 HA ILE 1 -1.922 6.272 14.864 5 HB ILE 1 HB ILE 1 -0.411 4.372 14.256 6 1HG1 ILE 1 HG1 ILE 1 -0.369 6.585 12.150 7 2HG1 ILE 1 HG1 ILE 1 0.373 6.657 13.731 8 1HG2 ILE 1 HG2 ILE 1 -1.701 4.466 11.523 9 2HG2 ILE 1 HG2 ILE 1 -1.968 3.173 12.735 10 3HG2 ILE 1 HG2 ILE 1 -0.349 3.412 12.048 11 1HD1 ILE 1 HD1 ILE 1 1.113 4.707 11.484 12 2HD1 ILE 1 HD1 ILE 1 1.844 4.703 13.125 13 3HD1 ILE 1 HD1 ILE 1 2.053 6.108 12.035 14 H ASP 2 HN ASP 2 -2.078 8.129 13.505 15 HA ASP 2 HA ASP 2 -4.481 8.211 11.848 16 1HB ASP 2 HB2 ASP 2 -2.449 10.436 12.260 17 2HB ASP 2 HB1 ASP 2 -4.185 10.580 11.995 18 H CYS 3 HN CYS 3 -4.496 8.613 9.587 19 HA CYS 3 HA CYS 3 -2.115 7.644 8.194 20 1HB CYS 3 HB2 CYS 3 -4.504 7.220 7.376 21 2HB CYS 3 HB1 CYS 3 -4.548 8.903 6.883 22 H GLY 4 HN GLY 4 -0.895 9.466 9.260 23 1HA GLY 4 HA2 GLY 4 -1.038 12.024 7.721 24 2HA GLY 4 HA1 GLY 4 -0.160 11.796 9.235 25 H HIS 5 HN HIS 5 1.435 9.745 8.887 26 HA HIS 5 HA HIS 5 3.270 10.660 6.748 27 1HB HIS 5 HB2 HIS 5 4.088 10.065 9.123 28 2HB HIS 5 HB1 HIS 5 3.769 8.379 8.736 29 HD1 HIS 5 HD1 HIS 5 6.575 8.593 9.110 30 HD2 HIS 5 HD2 HIS 5 5.103 9.850 5.511 31 HE1 HIS 5 HE1 HIS 5 8.472 8.624 7.560 32 H VAL 6 HN VAL 6 1.222 7.903 7.481 33 HA VAL 6 HA VAL 6 2.227 6.052 5.599 34 HB VAL 6 HB VAL 6 -0.731 6.377 6.146 35 1HG1 VAL 6 HG1 VAL 6 1.070 4.047 5.469 36 2HG1 VAL 6 HG1 VAL 6 -0.099 4.871 4.379 37 3HG1 VAL 6 HG1 VAL 6 -0.686 3.949 5.772 38 1HG2 VAL 6 HG2 VAL 6 1.364 4.955 7.813 39 2HG2 VAL 6 HG2 VAL 6 -0.417 4.822 8.028 40 3HG2 VAL 6 HG2 VAL 6 0.407 6.373 8.327 41 H ASP 7 HN ASP 7 -0.030 8.727 5.206 42 HA ASP 7 HA ASP 7 -1.013 8.219 2.623 43 1HB ASP 7 HB2 ASP 7 -1.744 10.157 4.121 44 2HB ASP 7 HB1 ASP 7 -0.268 11.005 3.663 45 H SER 8 HN SER 8 1.956 9.948 3.488 46 HA SER 8 HA SER 8 2.721 10.212 0.667 47 1HB SER 8 HB2 SER 8 3.419 11.971 2.277 48 2HB SER 8 HB1 SER 8 4.374 10.786 3.181 49 HG SER 8 HG SER 8 5.307 10.372 0.876 50 H LEU 9 HN LEU 9 3.025 7.624 3.002 51 HA LEU 9 HA LEU 9 5.484 6.640 1.846 52 1HB LEU 9 HB2 LEU 9 3.478 5.812 3.952 53 2HB LEU 9 HB1 LEU 9 4.758 4.773 3.468 54 HG LEU 9 HG LEU 9 5.101 7.619 4.562 55 1HD1 LEU 9 HD1 LEU 9 5.694 4.956 5.874 56 2HD1 LEU 9 HD1 LEU 9 4.331 6.048 6.283 57 3HD1 LEU 9 HD1 LEU 9 6.012 6.568 6.569 58 1HD2 LEU 9 HD2 LEU 9 7.457 7.142 4.808 59 2HD2 LEU 9 HD2 LEU 9 6.969 7.087 3.099 60 3HD2 LEU 9 HD2 LEU 9 7.225 5.560 4.007 61 H VAL 10 HN VAL 10 2.049 6.057 1.598 62 HA VAL 10 HA VAL 10 2.450 3.726 -0.197 63 HB VAL 10 HB VAL 10 0.033 3.605 -0.260 64 1HG1 VAL 10 HG1 VAL 10 1.064 2.668 1.705 65 2HG1 VAL 10 HG1 VAL 10 -0.500 3.405 2.165 66 3HG1 VAL 10 HG1 VAL 10 1.022 4.263 2.520 67 1HG2 VAL 10 HG2 VAL 10 -0.559 5.955 -0.424 68 2HG2 VAL 10 HG2 VAL 10 -0.045 6.218 1.275 69 3HG2 VAL 10 HG2 VAL 10 -1.443 5.164 0.904 70 H ARG 11 HN ARG 11 1.898 7.110 -0.465 71 HA ARG 11 HA ARG 11 0.770 7.316 -3.045 72 1HB ARG 11 HB2 ARG 11 2.201 9.068 -1.136 73 2HB ARG 11 HB1 ARG 11 2.604 9.487 -2.772 74 1HG ARG 11 HG2 ARG 11 0.704 10.814 -1.779 75 2HG ARG 11 HG1 ARG 11 0.365 10.070 -3.325 76 1HD ARG 11 HD2 ARG 11 -1.281 8.658 -2.425 77 2HD ARG 11 HD1 ARG 11 -0.437 8.456 -0.907 78 HE ARG 11 HE ARG 11 -1.271 10.656 -0.163 79 1HH1 ARG 11 HH1 ARG 11 -1.875 10.870 -3.255 80 2HH1 ARG 11 HH1 ARG 11 -3.559 11.255 -3.234 81 1HH2 ARG 11 HH2 ARG 11 -3.568 10.302 0.219 82 2HH2 ARG 11 HH2 ARG 11 -4.674 10.901 -0.963 83 HA PRO 12 HA PRO 12 5.224 7.407 -4.923 84 1HB PRO 12 HB2 PRO 12 7.053 5.811 -3.560 85 2HB PRO 12 HB1 PRO 12 6.928 7.561 -3.343 86 1HG PRO 12 HG2 PRO 12 5.581 5.316 -1.740 87 2HG PRO 12 HG1 PRO 12 6.532 6.668 -1.115 88 1HD PRO 12 HD2 PRO 12 3.934 6.909 -1.091 89 2HD PRO 12 HD1 PRO 12 4.831 8.288 -1.729 90 H CYS 13 HN CYS 13 3.899 4.348 -3.359 91 HA CYS 13 HA CYS 13 4.861 2.801 -5.554 92 1HB CYS 13 HB2 CYS 13 2.901 2.231 -3.361 93 2HB CYS 13 HB1 CYS 13 3.678 1.210 -4.442 94 H LEU 14 HN LEU 14 1.995 4.515 -4.708 95 HA LEU 14 HA LEU 14 0.172 3.278 -6.542 96 1HB LEU 14 HB2 LEU 14 -0.438 4.711 -4.575 97 2HB LEU 14 HB1 LEU 14 0.289 6.083 -5.343 98 HG LEU 14 HG LEU 14 -1.837 4.714 -6.971 99 1HD1 LEU 14 HD1 LEU 14 -2.318 6.475 -4.547 100 2HD1 LEU 14 HD1 LEU 14 -2.743 4.741 -4.657 101 3HD1 LEU 14 HD1 LEU 14 -3.576 5.937 -5.697 102 1HD2 LEU 14 HD2 LEU 14 -2.378 7.021 -7.531 103 2HD2 LEU 14 HD2 LEU 14 -0.625 6.755 -7.739 104 3HD2 LEU 14 HD2 LEU 14 -1.228 7.608 -6.289 105 H SER 15 HN SER 15 2.499 5.809 -6.894 106 HA SER 15 HA SER 15 1.753 6.958 -9.374 107 1HB SER 15 HB2 SER 15 4.116 7.667 -9.562 108 2HB SER 15 HB1 SER 15 3.783 7.629 -7.818 109 HG SER 15 HG SER 15 5.066 5.859 -7.661 110 H TYR 16 HN TYR 16 3.039 3.839 -8.780 111 HA TYR 16 HA TYR 16 3.712 3.419 -11.646 112 1HB TYR 16 HB2 TYR 16 5.268 2.542 -10.046 113 2HB TYR 16 HB1 TYR 16 4.027 1.738 -9.146 114 HD1 TYR 16 HD1 TYR 16 4.674 1.762 -12.892 115 HD2 TYR 16 HD2 TYR 16 4.426 -0.529 -9.312 116 HE1 TYR 16 HE1 TYR 16 4.933 -0.290 -14.171 117 HE2 TYR 16 HE2 TYR 16 4.679 -2.583 -10.612 118 HH TYR 16 HH TYR 16 4.145 -2.808 -13.738 119 H VAL 17 HN VAL 17 1.701 2.147 -9.162 120 HA VAL 17 HA VAL 17 0.243 0.185 -10.571 121 HB VAL 17 HB VAL 17 -1.005 2.075 -8.550 122 1HG1 VAL 17 HG1 VAL 17 -2.657 0.722 -9.709 123 2HG1 VAL 17 HG1 VAL 17 -2.455 0.141 -8.039 124 3HG1 VAL 17 HG1 VAL 17 -1.689 -0.751 -9.392 125 1HG2 VAL 17 HG2 VAL 17 0.619 -0.420 -8.283 126 2HG2 VAL 17 HG2 VAL 17 -0.301 0.251 -6.904 127 3HG2 VAL 17 HG2 VAL 17 0.997 1.216 -7.643 128 H GLN 18 HN GLN 18 -0.277 3.735 -10.714 129 HA GLN 18 HA GLN 18 -2.744 3.625 -12.020 130 1HB GLN 18 HB2 GLN 18 -2.314 5.869 -12.329 131 2HB GLN 18 HB1 GLN 18 -1.540 5.497 -10.850 132 1HG GLN 18 HG2 GLN 18 0.688 5.375 -12.156 133 2HG GLN 18 HG1 GLN 18 -0.189 6.011 -13.544 134 1HE2 GLN 18 HE2 GLN 18 -0.306 6.721 -10.052 135 2HE2 GLN 18 HE2 GLN 18 -0.131 8.407 -10.217 136 H GLY 19 HN GLY 19 0.453 3.030 -13.198 137 1HA GLY 19 HA2 GLY 19 0.707 1.731 -15.264 138 2HA GLY 19 HA1 GLY 19 -0.663 2.569 -15.956 139 H GLY 20 HN GLY 20 2.043 3.927 -14.133 140 1HA GLY 20 HA2 GLY 20 3.062 5.244 -16.633 141 2HA GLY 20 HA1 GLY 20 2.804 6.168 -15.146 142 HA PRO 21 HA PRO 21 7.099 4.385 -15.129 143 1HB PRO 21 HB2 PRO 21 8.529 6.683 -14.926 144 2HB PRO 21 HB1 PRO 21 7.912 6.140 -16.490 145 1HG PRO 21 HG2 PRO 21 6.555 8.082 -14.519 146 2HG PRO 21 HG1 PRO 21 6.952 8.400 -16.213 147 1HD PRO 21 HD2 PRO 21 4.468 7.525 -15.528 148 2HD PRO 21 HD1 PRO 21 5.225 6.853 -16.995 149 H GLY 22 HN GLY 22 7.962 3.764 -13.103 150 1HA GLY 22 HA2 GLY 22 8.352 5.217 -10.832 151 2HA GLY 22 HA1 GLY 22 6.633 4.813 -10.766 152 HA PRO 23 HA PRO 23 6.160 4.177 -8.909 153 1HB PRO 23 HB2 PRO 23 6.649 3.333 -6.400 154 2HB PRO 23 HB1 PRO 23 5.619 2.442 -7.525 155 1HG PRO 23 HG2 PRO 23 8.550 1.962 -6.778 156 2HG PRO 23 HG1 PRO 23 7.242 0.791 -6.902 157 1HD PRO 23 HD2 PRO 23 9.015 1.220 -9.035 158 2HD PRO 23 HD1 PRO 23 7.331 0.737 -9.290 159 H SER 24 HN SER 24 9.225 3.590 -7.213 160 HA SER 24 HA SER 24 10.635 5.970 -7.670 161 1HB SER 24 HB2 SER 24 10.058 7.315 -5.572 162 2HB SER 24 HB1 SER 24 8.695 7.277 -6.692 163 HG SER 24 HG SER 24 7.914 5.491 -5.646 164 H GLY 25 HN GLY 25 12.353 6.306 -6.165 165 1HA GLY 25 HA2 GLY 25 13.336 3.805 -5.084 166 2HA GLY 25 HA1 GLY 25 14.093 5.389 -4.857 167 H GLN 26 HN GLN 26 11.088 6.044 -3.980 168 HA GLN 26 HA GLN 26 11.699 5.446 -1.093 169 1HB GLN 26 HB2 GLN 26 9.691 7.388 -2.394 170 2HB GLN 26 HB1 GLN 26 9.824 7.155 -0.664 171 1HG GLN 26 HG2 GLN 26 12.281 7.821 -0.843 172 2HG GLN 26 HG1 GLN 26 12.001 8.204 -2.542 173 1HE2 GLN 26 HE2 GLN 26 12.424 9.898 0.147 174 2HE2 GLN 26 HE2 GLN 26 11.226 11.087 -0.042 175 H CYS 27 HN CYS 27 9.644 4.404 -3.649 176 HA CYS 27 HA CYS 27 7.378 3.529 -2.123 177 1HB CYS 27 HB2 CYS 27 7.376 3.429 -4.545 178 2HB CYS 27 HB1 CYS 27 8.745 2.339 -4.565 179 H CYS 28 HN CYS 28 10.501 1.953 -2.684 180 HA CYS 28 HA CYS 28 9.702 -0.359 -1.090 181 1HB CYS 28 HB2 CYS 28 12.279 0.564 -2.374 182 2HB CYS 28 HB1 CYS 28 12.247 -0.825 -1.304 183 H ASP 29 HN ASP 29 12.176 2.138 -0.425 184 HA ASP 29 HA ASP 29 12.582 1.357 2.270 185 1HB ASP 29 HB2 ASP 29 13.783 3.275 0.655 186 2HB ASP 29 HB1 ASP 29 12.649 4.270 1.500 187 H GLY 30 HN GLY 30 10.421 3.740 0.870 188 1HA GLY 30 HA2 GLY 30 9.244 4.731 3.233 189 2HA GLY 30 HA1 GLY 30 8.480 4.743 1.651 190 H VAL 31 HN VAL 31 7.975 2.148 1.103 191 HA VAL 31 HA VAL 31 5.804 1.580 2.946 192 HB VAL 31 HB VAL 31 6.865 0.221 0.424 193 1HG1 VAL 31 HG1 VAL 31 4.822 -0.957 0.228 194 2HG1 VAL 31 HG1 VAL 31 4.292 -0.396 1.844 195 3HG1 VAL 31 HG1 VAL 31 5.715 -1.468 1.691 196 1HG2 VAL 31 HG2 VAL 31 4.420 1.936 1.018 197 2HG2 VAL 31 HG2 VAL 31 4.841 1.208 -0.561 198 3HG2 VAL 31 HG2 VAL 31 5.894 2.461 0.160 199 H LYS 32 HN LYS 32 8.975 0.046 2.275 200 HA LYS 32 HA LYS 32 8.719 -2.304 3.737 201 1HB LYS 32 HB2 LYS 32 10.795 -1.680 2.410 202 2HB LYS 32 HB1 LYS 32 11.111 -0.394 3.557 203 1HG LYS 32 HG2 LYS 32 11.135 -2.198 5.388 204 2HG LYS 32 HG1 LYS 32 11.138 -3.371 4.090 205 1HD LYS 32 HD2 LYS 32 13.264 -2.456 3.240 206 2HD LYS 32 HD1 LYS 32 13.220 -1.148 4.417 207 1HE LYS 32 HE2 LYS 32 13.270 -2.845 6.281 208 2HE LYS 32 HE1 LYS 32 13.359 -4.137 5.095 209 1HZ LYS 32 HZ1 LYS 32 15.421 -2.274 4.552 210 2HZ LYS 32 HZ2 LYS 32 15.528 -3.895 4.997 211 3HZ LYS 32 HZ3 LYS 32 15.489 -2.701 6.192 212 H ASN 33 HN ASN 33 9.595 0.946 4.711 213 HA ASN 33 HA ASN 33 9.933 0.450 7.510 214 1HB ASN 33 HB2 ASN 33 9.382 2.888 5.785 215 2HB ASN 33 HB1 ASN 33 9.323 3.053 7.516 216 1HD2 ASN 33 HD2 ASN 33 11.430 3.392 4.970 217 2HD2 ASN 33 HD2 ASN 33 12.895 3.169 5.743 218 H LEU 34 HN LEU 34 7.186 1.772 5.773 219 HA LEU 34 HA LEU 34 5.342 2.041 7.871 220 1HB LEU 34 HB2 LEU 34 4.930 2.842 5.557 221 2HB LEU 34 HB1 LEU 34 4.917 1.197 4.964 222 HG LEU 34 HG LEU 34 2.876 0.772 6.451 223 1HD1 LEU 34 HD1 LEU 34 3.190 2.606 7.992 224 2HD1 LEU 34 HD1 LEU 34 1.623 2.738 7.159 225 3HD1 LEU 34 HD1 LEU 34 2.983 3.791 6.658 226 1HD2 LEU 34 HD2 LEU 34 2.660 2.856 4.283 227 2HD2 LEU 34 HD2 LEU 34 1.330 1.816 4.881 228 3HD2 LEU 34 HD2 LEU 34 2.722 1.085 4.038 229 H HIS 35 HN HIS 35 5.718 -0.753 5.768 230 HA HIS 35 HA HIS 35 3.861 -2.506 6.929 231 1HB HIS 35 HB2 HIS 35 5.197 -2.904 4.839 232 2HB HIS 35 HB1 HIS 35 6.635 -3.196 5.788 233 HD1 HIS 35 HD1 HIS 35 6.328 -5.425 7.432 234 HD2 HIS 35 HD2 HIS 35 3.555 -5.019 4.465 235 HE1 HIS 35 HE1 HIS 35 5.233 -7.622 7.187 236 H ASN 36 HN ASN 36 7.302 -2.271 7.690 237 HA ASN 36 HA ASN 36 7.342 -4.013 9.922 238 1HB ASN 36 HB2 ASN 36 9.281 -2.713 8.584 239 2HB ASN 36 HB1 ASN 36 9.079 -1.539 9.869 240 1HD2 ASN 36 HD2 ASN 36 10.259 -1.983 11.795 241 2HD2 ASN 36 HD2 ASN 36 10.946 -3.504 12.131 242 H GLN 37 HN GLN 37 6.343 -0.665 9.706 243 HA GLN 37 HA GLN 37 6.347 -0.129 12.526 244 1HB GLN 37 HB2 GLN 37 6.389 1.459 10.413 245 2HB GLN 37 HB1 GLN 37 4.660 1.242 10.396 246 1HG GLN 37 HG2 GLN 37 4.358 2.309 12.488 247 2HG GLN 37 HG1 GLN 37 6.075 2.209 12.873 248 1HE2 GLN 37 HE2 GLN 37 6.849 4.372 12.802 249 2HE2 GLN 37 HE2 GLN 37 6.524 5.454 11.526 250 H ALA 38 HN ALA 38 4.156 -1.885 10.532 251 HA ALA 38 HA ALA 38 1.822 -1.464 12.235 252 1HB ALA 38 HB1 ALA 38 0.875 -3.309 10.944 253 2HB ALA 38 HB2 ALA 38 2.459 -3.609 10.184 254 3HB ALA 38 HB3 ALA 38 1.597 -2.066 9.874 255 H ARG 39 HN ARG 39 2.827 -1.831 14.264 256 HA ARG 39 HA ARG 39 3.621 -4.626 14.889 257 1HB ARG 39 HB2 ARG 39 4.749 -2.305 15.667 258 2HB ARG 39 HB1 ARG 39 3.549 -2.390 16.937 259 1HG ARG 39 HG2 ARG 39 4.355 -4.467 17.794 260 2HG ARG 39 HG1 ARG 39 5.298 -4.819 16.362 261 1HD ARG 39 HD2 ARG 39 5.877 -2.550 18.316 262 2HD ARG 39 HD1 ARG 39 6.774 -4.070 18.232 263 HE ARG 39 HE ARG 39 6.640 -2.141 15.912 264 1HH1 ARG 39 HH1 ARG 39 8.761 -1.928 17.869 265 2HH1 ARG 39 HH1 ARG 39 10.108 -2.772 17.191 266 1HH2 ARG 39 HH2 ARG 39 7.865 -4.376 14.905 267 2HH2 ARG 39 HH2 ARG 39 9.530 -4.329 15.365 268 H SER 40 HN SER 40 0.942 -2.361 15.393 269 HA SER 40 HA SER 40 -0.394 -4.498 17.019 270 1HB SER 40 HB2 SER 40 -0.372 -2.360 18.307 271 2HB SER 40 HB1 SER 40 -1.069 -1.492 16.940 272 HG SER 40 HG SER 40 -2.922 -2.164 17.540 273 H GLN 41 HN GLN 41 -2.581 -4.917 16.571 274 HA GLN 41 HA GLN 41 -3.313 -5.419 13.935 275 1HB GLN 41 HB2 GLN 41 -4.641 -5.358 16.603 276 2HB GLN 41 HB1 GLN 41 -5.732 -4.919 15.347 277 1HG GLN 41 HG2 GLN 41 -4.130 -7.526 15.272 278 2HG GLN 41 HG1 GLN 41 -5.682 -7.418 16.074 279 1HE2 GLN 41 HE2 GLN 41 -7.445 -8.159 14.654 280 2HE2 GLN 41 HE2 GLN 41 -7.334 -7.978 12.957 281 H SER 42 HN SER 42 -3.990 -2.644 15.917 282 HA SER 42 HA SER 42 -5.653 -1.190 14.112 283 1HB SER 42 HB2 SER 42 -4.473 0.653 15.916 284 2HB SER 42 HB1 SER 42 -5.968 -0.244 16.203 285 HG SER 42 HG SER 42 -4.785 -1.056 17.769 286 H ASP 43 HN ASP 43 -2.112 -1.160 14.585 287 HA ASP 43 HA ASP 43 -1.580 1.184 13.187 288 1HB ASP 43 HB2 ASP 43 -0.026 -1.351 13.798 289 2HB ASP 43 HB1 ASP 43 0.709 0.115 13.294 290 H ARG 44 HN ARG 44 -1.822 -2.071 12.201 291 HA ARG 44 HA ARG 44 -0.967 -1.690 9.423 292 1HB ARG 44 HB2 ARG 44 -0.929 -4.004 10.525 293 2HB ARG 44 HB1 ARG 44 -2.664 -3.946 10.631 294 1HG ARG 44 HG2 ARG 44 -2.398 -3.557 7.925 295 2HG ARG 44 HG1 ARG 44 -0.903 -4.403 8.229 296 1HD ARG 44 HD2 ARG 44 -2.692 -6.001 7.677 297 2HD ARG 44 HD1 ARG 44 -2.183 -6.261 9.347 298 HE ARG 44 HE ARG 44 -4.611 -4.645 8.599 299 1HH1 ARG 44 HH2 ARG 44 -4.108 -7.641 9.617 300 2HH1 ARG 44 HH2 ARG 44 -4.725 -7.441 11.256 301 1HH2 ARG 44 HH1 ARG 44 -5.151 -4.019 10.985 302 2HH2 ARG 44 HH1 ARG 44 -5.432 -5.392 11.963 303 H GLN 45 HN GLN 45 -4.076 -2.280 11.020 304 HA GLN 45 HA GLN 45 -5.810 -2.082 8.860 305 1HB GLN 45 HB2 GLN 45 -5.905 -1.950 11.804 306 2HB GLN 45 HB1 GLN 45 -6.937 -0.738 11.177 307 1HG GLN 45 HG2 GLN 45 -8.602 -2.268 10.812 308 2HG GLN 45 HG1 GLN 45 -7.568 -3.190 9.740 309 1HE2 GLN 45 HE2 GLN 45 -8.535 -5.181 10.687 310 2HE2 GLN 45 HE2 GLN 45 -8.007 -5.747 12.183 311 H SER 46 HN SER 46 -4.378 0.520 10.824 312 HA SER 46 HA SER 46 -5.781 2.716 9.693 313 1HB SER 46 HB2 SER 46 -3.008 2.458 10.920 314 2HB SER 46 HB1 SER 46 -3.553 3.993 10.257 315 HG SER 46 HG SER 46 -4.562 4.253 11.978 316 H ALA 47 HN ALA 47 -2.468 1.739 8.878 317 HA ALA 47 HA ALA 47 -2.267 3.345 6.569 318 1HB ALA 47 HB1 ALA 47 -0.989 0.627 7.197 319 2HB ALA 47 HB2 ALA 47 -0.341 2.211 7.728 320 3HB ALA 47 HB3 ALA 47 -0.384 1.772 5.985 321 H CYS 48 HN CYS 48 -3.654 0.110 6.949 322 HA CYS 48 HA CYS 48 -3.873 -0.540 4.254 323 1HB CYS 48 HB2 CYS 48 -5.224 -1.209 6.852 324 2HB CYS 48 HB1 CYS 48 -5.856 -1.808 5.370 325 H ASN 49 HN ASN 49 -5.965 1.371 6.360 326 HA ASN 49 HA ASN 49 -7.986 1.659 4.320 327 1HB ASN 49 HB2 ASN 49 -7.663 2.677 7.026 328 2HB ASN 49 HB1 ASN 49 -8.124 4.030 5.999 329 1HD2 ASN 49 HD2 ASN 49 -9.407 1.577 7.654 330 2HD2 ASN 49 HD2 ASN 49 -10.829 1.425 6.750 331 H CYS 50 HN CYS 50 -5.173 3.550 5.052 332 HA CYS 50 HA CYS 50 -5.601 5.819 3.435 333 1HB CYS 50 HB2 CYS 50 -3.000 4.215 3.590 334 2HB CYS 50 HB1 CYS 50 -3.109 5.882 3.150 335 H LEU 51 HN LEU 51 -3.941 2.901 2.392 336 HA LEU 51 HA LEU 51 -3.933 3.458 -0.382 337 1HB LEU 51 HB2 LEU 51 -3.743 0.944 1.269 338 2HB LEU 51 HB1 LEU 51 -3.865 0.773 -0.463 339 HG LEU 51 HG LEU 51 -1.827 2.617 0.779 340 1HD1 LEU 51 HD1 LEU 51 -1.412 0.525 1.732 341 2HD1 LEU 51 HD1 LEU 51 -0.175 0.753 0.471 342 3HD1 LEU 51 HD1 LEU 51 -1.583 -0.340 0.191 343 1HD2 LEU 51 HD2 LEU 51 -2.100 1.184 -1.867 344 2HD2 LEU 51 HD2 LEU 51 -0.683 2.155 -1.387 345 3HD2 LEU 51 HD2 LEU 51 -2.283 2.937 -1.558 346 H LYS 52 HN LYS 52 -6.178 1.432 1.429 347 HA LYS 52 HA LYS 52 -7.824 0.634 -0.677 348 1HB LYS 52 HB2 LYS 52 -7.594 0.194 2.031 349 2HB LYS 52 HB1 LYS 52 -8.984 1.232 2.079 350 1HG LYS 52 HG2 LYS 52 -8.886 -1.170 0.242 351 2HG LYS 52 HG1 LYS 52 -9.171 -1.396 1.946 352 1HD LYS 52 HD2 LYS 52 -11.113 -0.051 2.013 353 2HD LYS 52 HD1 LYS 52 -10.906 0.566 0.386 354 1HE LYS 52 HE2 LYS 52 -11.534 -2.316 1.233 355 2HE LYS 52 HE1 LYS 52 -12.619 -1.214 0.400 356 1HZ LYS 52 HZ1 LYS 52 -10.208 -1.372 -1.043 357 2HZ LYS 52 HZ2 LYS 52 -11.778 -1.820 -1.524 358 3HZ LYS 52 HZ3 LYS 52 -10.768 -2.954 -0.760 359 H GLY 53 HN GLY 53 -8.348 3.439 1.482 360 1HA GLY 53 HA2 GLY 53 -10.623 4.501 0.216 361 2HA GLY 53 HA1 GLY 53 -9.459 5.432 1.170 362 H ILE 54 HN ILE 54 -7.222 4.866 -0.465 363 HA ILE 54 HA ILE 54 -7.535 6.933 -2.469 364 HB ILE 54 HB ILE 54 -5.310 5.045 -1.584 365 1HG1 ILE 54 HG1 ILE 54 -5.383 8.083 -1.501 366 2HG1 ILE 54 HG1 ILE 54 -5.908 7.063 -0.184 367 1HG2 ILE 54 HG2 ILE 54 -5.054 7.068 -3.809 368 2HG2 ILE 54 HG2 ILE 54 -5.010 5.287 -3.990 369 3HG2 ILE 54 HG2 ILE 54 -3.743 6.113 -3.042 370 1HD1 ILE 54 HD1 ILE 54 -3.649 6.024 -0.030 371 2HD1 ILE 54 HD1 ILE 54 -3.556 7.790 0.182 372 3HD1 ILE 54 HD1 ILE 54 -3.069 7.063 -1.369 373 H ALA 55 HN ALA 55 -6.511 3.584 -2.874 374 HA ALA 55 HA ALA 55 -6.608 3.335 -5.607 375 1HB ALA 55 HB1 ALA 55 -5.847 1.585 -4.044 376 2HB ALA 55 HB2 ALA 55 -7.014 0.922 -5.230 377 3HB ALA 55 HB3 ALA 55 -7.544 1.296 -3.563 378 H ARG 56 HN ARG 56 -9.302 3.136 -3.353 379 HA ARG 56 HA ARG 56 -11.351 2.281 -5.052 380 1HB ARG 56 HB2 ARG 56 -11.481 2.516 -2.567 381 2HB ARG 56 HB1 ARG 56 -11.418 4.254 -2.721 382 1HG ARG 56 HG2 ARG 56 -13.624 2.798 -4.183 383 2HG ARG 56 HG1 ARG 56 -13.758 2.966 -2.442 384 1HD ARG 56 HD2 ARG 56 -13.733 5.343 -2.525 385 2HD ARG 56 HD1 ARG 56 -13.137 5.414 -4.175 386 HE ARG 56 HE ARG 56 -15.887 4.432 -3.473 387 1HH1 ARG 56 HH2 ARG 56 -15.771 7.177 -4.294 388 2HH1 ARG 56 HH2 ARG 56 -15.971 7.156 -6.011 389 1HH2 ARG 56 HH1 ARG 56 -15.106 3.714 -6.127 390 2HH2 ARG 56 HH1 ARG 56 -15.586 5.024 -7.126 391 H GLY 57 HN GLY 57 -9.910 5.433 -4.893 392 1HA GLY 57 HA2 GLY 57 -12.013 6.720 -6.504 393 2HA GLY 57 HA1 GLY 57 -10.511 7.472 -5.967 394 H ILE 58 HN ILE 58 -9.170 4.913 -7.113 395 HA ILE 58 HA ILE 58 -8.608 6.127 -9.722 396 HB ILE 58 HB ILE 58 -7.725 3.342 -8.772 397 1HG1 ILE 58 HG1 ILE 58 -6.317 6.026 -8.298 398 2HG1 ILE 58 HG1 ILE 58 -7.143 5.117 -7.050 399 1HG2 ILE 58 HG2 ILE 58 -7.426 3.892 -11.150 400 2HG2 ILE 58 HG2 ILE 58 -5.857 3.760 -10.317 401 3HG2 ILE 58 HG2 ILE 58 -6.538 5.374 -10.693 402 1HD1 ILE 58 HD1 ILE 58 -4.751 4.659 -6.938 403 2HD1 ILE 58 HD1 ILE 58 -4.727 4.166 -8.648 404 3HD1 ILE 58 HD1 ILE 58 -5.630 3.185 -7.451 405 H HIS 59 HN HIS 59 -10.117 3.192 -8.601 406 HA HIS 59 HA HIS 59 -11.790 1.808 -9.519 407 1HB HIS 59 HB2 HIS 59 -12.914 4.030 -10.134 408 2HB HIS 59 HB1 HIS 59 -12.171 3.912 -11.721 409 HD1 HIS 59 HD1 HIS 59 -12.619 0.712 -11.880 410 HD2 HIS 59 HD2 HIS 59 -15.513 3.493 -11.041 411 HE1 HIS 59 HE1 HIS 59 -14.777 -0.315 -12.455 412 H ASN 60 HN ASN 60 -10.021 3.280 -12.290 413 HA ASN 60 HA ASN 60 -9.837 0.569 -13.529 414 1HB ASN 60 HB2 ASN 60 -9.005 1.900 -15.512 415 2HB ASN 60 HB1 ASN 60 -10.601 2.436 -14.991 416 1HD2 ASN 60 HD2 ASN 60 -9.687 4.473 -16.225 417 2HD2 ASN 60 HD2 ASN 60 -8.833 5.586 -15.261 418 H LEU 61 HN LEU 61 -8.294 0.744 -11.212 419 HA LEU 61 HA LEU 61 -5.693 1.699 -11.653 420 1HB LEU 61 HB2 LEU 61 -5.405 0.746 -9.496 421 2HB LEU 61 HB1 LEU 61 -6.990 1.386 -9.533 422 HG LEU 61 HG LEU 61 -7.501 -1.123 -10.423 423 1HD1 LEU 61 HD1 LEU 61 -5.224 -1.391 -8.469 424 2HD1 LEU 61 HD1 LEU 61 -5.235 -1.917 -10.175 425 3HD1 LEU 61 HD1 LEU 61 -6.291 -2.737 -9.001 426 1HD2 LEU 61 HD2 LEU 61 -8.243 -1.684 -8.128 427 2HD2 LEU 61 HD2 LEU 61 -8.702 -0.026 -8.600 428 3HD2 LEU 61 HD2 LEU 61 -7.306 -0.292 -7.506 429 H ASN 62 HN ASN 62 -3.812 -0.092 -11.276 430 HA ASN 62 HA ASN 62 -4.289 -2.194 -13.354 431 1HB ASN 62 HB2 ASN 62 -2.763 -0.220 -13.948 432 2HB ASN 62 HB1 ASN 62 -1.695 -0.815 -12.687 433 1HD2 ASN 62 HD2 ASN 62 -2.086 -0.948 -15.960 434 2HD2 ASN 62 HD2 ASN 62 -1.264 -2.413 -16.203 435 H GLU 63 HN GLU 63 -4.566 -4.054 -12.290 436 HA GLU 63 HA GLU 63 -3.426 -4.676 -9.744 437 1HB GLU 63 HB2 GLU 63 -5.407 -5.923 -11.173 438 2HB GLU 63 HB1 GLU 63 -4.066 -6.959 -11.628 439 1HG GLU 63 HG2 GLU 63 -3.623 -6.865 -8.907 440 2HG GLU 63 HG1 GLU 63 -5.352 -6.570 -8.906 441 H ASP 64 HN ASP 64 -2.325 -5.364 -13.022 442 HA ASP 64 HA ASP 64 -0.189 -7.121 -12.379 443 1HB ASP 64 HB2 ASP 64 -0.803 -6.707 -14.749 444 2HB ASP 64 HB1 ASP 64 -0.304 -5.030 -14.619 445 H ASN 65 HN ASN 65 -0.207 -3.595 -12.572 446 HA ASN 65 HA ASN 65 2.577 -3.383 -11.783 447 1HB ASN 65 HB2 ASN 65 0.310 -1.392 -11.851 448 2HB ASN 65 HB1 ASN 65 1.935 -0.930 -11.339 449 1HD2 ASN 65 HD2 ASN 65 1.000 0.365 -13.540 450 2HD2 ASN 65 HD2 ASN 65 1.707 -0.267 -14.961 451 H ALA 66 HN ALA 66 -0.468 -2.802 -9.988 452 HA ALA 66 HA ALA 66 0.592 -2.176 -7.463 453 1HB ALA 66 HB1 ALA 66 -1.770 -3.960 -8.078 454 2HB ALA 66 HB2 ALA 66 -1.818 -2.173 -7.956 455 3HB ALA 66 HB3 ALA 66 -1.425 -3.150 -6.519 456 H ARG 67 HN ARG 67 -0.033 -5.381 -8.784 457 HA ARG 67 HA ARG 67 1.001 -6.815 -6.530 458 1HB ARG 67 HB2 ARG 67 -0.717 -7.519 -8.191 459 2HB ARG 67 HB1 ARG 67 0.511 -7.572 -9.435 460 1HG ARG 67 HG2 ARG 67 1.708 -9.327 -8.122 461 2HG ARG 67 HG1 ARG 67 0.412 -9.307 -6.932 462 1HD ARG 67 HD2 ARG 67 0.033 -9.850 -9.924 463 2HD ARG 67 HD1 ARG 67 0.077 -11.104 -8.696 464 HE ARG 67 HE ARG 67 -2.000 -8.929 -8.496 465 1HH1 ARG 67 HH2 ARG 67 -1.772 -11.391 -6.756 466 2HH1 ARG 67 HH2 ARG 67 -3.007 -12.405 -7.413 467 1HH2 ARG 67 HH1 ARG 67 -3.200 -10.355 -10.322 468 2HH2 ARG 67 HH1 ARG 67 -3.868 -11.783 -9.660 469 H SER 68 HN SER 68 2.443 -5.362 -9.330 470 HA SER 68 HA SER 68 4.936 -6.900 -9.120 471 1HB SER 68 HB2 SER 68 4.030 -4.611 -10.898 472 2HB SER 68 HB1 SER 68 5.674 -5.284 -10.966 473 HG SER 68 HG SER 68 3.277 -6.445 -11.701 474 H ILE 69 HN ILE 69 3.764 -4.358 -7.360 475 HA ILE 69 HA ILE 69 6.277 -2.907 -6.984 476 HB ILE 69 HB ILE 69 3.557 -2.882 -5.551 477 1HG1 ILE 69 HG1 ILE 69 4.884 -0.780 -7.232 478 2HG1 ILE 69 HG1 ILE 69 3.828 -2.012 -7.891 479 1HG2 ILE 69 HG2 ILE 69 5.285 -2.315 -3.875 480 2HG2 ILE 69 HG2 ILE 69 4.291 -0.903 -4.325 481 3HG2 ILE 69 HG2 ILE 69 5.930 -1.102 -5.020 482 1HD1 ILE 69 HD1 ILE 69 2.629 0.032 -7.482 483 2HD1 ILE 69 HD1 ILE 69 3.060 0.045 -5.758 484 3HD1 ILE 69 HD1 ILE 69 1.996 -1.245 -6.384 485 HA PRO 70 HA PRO 70 6.459 -5.215 -2.810 486 1HB PRO 70 HB2 PRO 70 4.946 -7.523 -2.505 487 2HB PRO 70 HB1 PRO 70 4.472 -5.915 -1.932 488 1HG PRO 70 HG2 PRO 70 3.583 -7.392 -4.449 489 2HG PRO 70 HG1 PRO 70 2.660 -6.376 -3.368 490 1HD PRO 70 HD2 PRO 70 3.601 -5.399 -5.718 491 2HD PRO 70 HD1 PRO 70 3.386 -4.384 -4.277 492 HA PRO 71 HA PRO 71 8.032 -9.362 -4.595 493 1HB PRO 71 HB2 PRO 71 7.983 -9.717 -7.336 494 2HB PRO 71 HB1 PRO 71 6.692 -10.285 -6.275 495 1HG PRO 71 HG2 PRO 71 6.813 -7.670 -7.862 496 2HG PRO 71 HG1 PRO 71 5.502 -8.837 -7.749 497 1HD PRO 71 HD2 PRO 71 5.433 -6.655 -6.202 498 2HD PRO 71 HD1 PRO 71 4.919 -8.235 -5.563 499 H LYS 72 HN LYS 72 8.387 -6.865 -7.104 500 HA LYS 72 HA LYS 72 11.164 -7.191 -7.513 501 1HB LYS 72 HB2 LYS 72 11.149 -4.936 -8.431 502 2HB LYS 72 HB1 LYS 72 9.713 -5.790 -8.976 503 1HG LYS 72 HG2 LYS 72 8.739 -3.790 -8.425 504 2HG LYS 72 HG1 LYS 72 8.625 -4.563 -6.872 505 1HD LYS 72 HD2 LYS 72 10.825 -3.405 -6.196 506 2HD LYS 72 HD1 LYS 72 10.834 -2.653 -7.783 507 1HE LYS 72 HE2 LYS 72 8.594 -1.618 -7.218 508 2HE LYS 72 HE1 LYS 72 8.742 -2.259 -5.592 509 1HZ LYS 72 HZ1 LYS 72 11.116 -0.882 -6.268 510 2HZ LYS 72 HZ2 LYS 72 10.028 -0.567 -5.019 511 3HZ LYS 72 HZ3 LYS 72 9.775 0.119 -6.560 512 H CYS 73 HN CYS 73 9.490 -5.517 -5.045 513 HA CYS 73 HA CYS 73 11.824 -4.104 -4.017 514 1HB CYS 73 HB2 CYS 73 9.321 -3.594 -4.014 515 2HB CYS 73 HB1 CYS 73 9.190 -4.723 -2.767 516 H GLY 74 HN GLY 74 9.866 -6.779 -2.650 517 1HA GLY 74 HA2 GLY 74 11.032 -8.787 -1.800 518 2HA GLY 74 HA1 GLY 74 12.370 -7.762 -1.312 519 H VAL 75 HN VAL 75 9.179 -6.594 -0.716 520 HA VAL 75 HA VAL 75 9.488 -7.280 2.162 521 HB VAL 75 HB VAL 75 8.088 -5.172 2.485 522 1HG1 VAL 75 HG1 VAL 75 10.642 -4.808 0.876 523 2HG1 VAL 75 HG1 VAL 75 10.539 -5.076 2.641 524 3HG1 VAL 75 HG1 VAL 75 9.896 -3.565 1.919 525 1HG2 VAL 75 HG2 VAL 75 7.017 -5.099 0.270 526 2HG2 VAL 75 HG2 VAL 75 8.610 -4.729 -0.465 527 3HG2 VAL 75 HG2 VAL 75 7.862 -3.576 0.671 528 H ASN 76 HN ASN 76 7.364 -7.383 -0.520 529 HA ASN 76 HA ASN 76 5.307 -8.496 -0.767 530 1HB ASN 76 HB2 ASN 76 6.760 -10.295 0.271 531 2HB ASN 76 HB1 ASN 76 6.008 -9.906 1.804 532 1HD2 ASN 76 HD2 ASN 76 3.842 -10.388 2.185 533 2HD2 ASN 76 HD2 ASN 76 2.883 -11.286 1.101 534 H LEU 77 HN LEU 77 3.801 -6.774 -0.388 535 HA LEU 77 HA LEU 77 2.997 -6.320 2.435 536 1HB LEU 77 HB2 LEU 77 2.830 -4.675 -0.033 537 2HB LEU 77 HB1 LEU 77 1.309 -4.737 0.761 538 HG LEU 77 HG LEU 77 2.359 -4.104 2.897 539 1HD1 LEU 77 HD1 LEU 77 4.610 -3.066 2.850 540 2HD1 LEU 77 HD1 LEU 77 4.765 -3.554 1.141 541 3HD1 LEU 77 HD1 LEU 77 4.670 -4.803 2.417 542 1HD2 LEU 77 HD2 LEU 77 2.649 -1.736 2.412 543 2HD2 LEU 77 HD2 LEU 77 1.264 -2.425 1.525 544 3HD2 LEU 77 HD2 LEU 77 2.801 -2.102 0.667 545 HA PRO 78 HA PRO 78 -0.680 -8.651 1.649 546 1HB PRO 78 HB2 PRO 78 -2.020 -8.278 3.952 547 2HB PRO 78 HB1 PRO 78 -0.491 -9.154 3.919 548 1HG PRO 78 HG2 PRO 78 -1.025 -6.349 4.901 549 2HG PRO 78 HG1 PRO 78 0.170 -7.509 5.443 550 1HD PRO 78 HD2 PRO 78 0.703 -5.389 3.563 551 2HD PRO 78 HD1 PRO 78 1.785 -6.730 4.021 552 H TYR 79 HN TYR 79 -0.484 -5.416 1.279 553 HA TYR 79 HA TYR 79 -3.071 -5.244 -0.020 554 1HB TYR 79 HB2 TYR 79 -4.047 -3.415 1.352 555 2HB TYR 79 HB1 TYR 79 -3.780 -4.808 2.375 556 HD1 TYR 79 HD1 TYR 79 -3.100 -1.288 1.988 557 HD2 TYR 79 HD2 TYR 79 -1.592 -4.863 3.694 558 HE1 TYR 79 HE1 TYR 79 -1.709 0.018 3.561 559 HE2 TYR 79 HE2 TYR 79 -0.211 -3.549 5.249 560 HH TYR 79 HH TYR 79 0.786 -1.205 5.374 561 H THR 80 HN THR 80 -3.144 -3.430 -1.458 562 HA THR 80 HA THR 80 -1.065 -1.365 -1.354 563 HB THR 80 HB THR 80 0.230 -3.224 -2.432 564 HG1 THR 80 HG1 THR 80 0.870 -1.539 -3.600 565 1HG2 THR 80 HG2 THR 80 -2.027 -3.175 -4.479 566 2HG2 THR 80 HG2 THR 80 -1.748 -4.493 -3.311 567 3HG2 THR 80 HG2 THR 80 -0.522 -4.148 -4.566 568 H ILE 81 HN ILE 81 -1.393 -0.650 -4.102 569 HA ILE 81 HA ILE 81 -4.032 0.597 -3.874 570 HB ILE 81 HB ILE 81 -2.003 0.832 -6.156 571 1HG1 ILE 81 HG1 ILE 81 -1.502 3.075 -5.067 572 2HG1 ILE 81 HG1 ILE 81 -2.346 2.534 -3.648 573 1HG2 ILE 81 HG2 ILE 81 -3.103 2.926 -6.640 574 2HG2 ILE 81 HG2 ILE 81 -4.253 2.660 -5.290 575 3HG2 ILE 81 HG2 ILE 81 -4.254 1.575 -6.717 576 1HD1 ILE 81 HD1 ILE 81 -0.558 0.731 -3.343 577 2HD1 ILE 81 HD1 ILE 81 0.120 2.372 -3.432 578 3HD1 ILE 81 HD1 ILE 81 0.192 1.309 -4.866 579 H SER 82 HN SER 82 -4.943 -1.666 -3.886 580 HA SER 82 HA SER 82 -5.983 -2.289 -6.572 581 1HB SER 82 HB2 SER 82 -3.896 -3.722 -6.320 582 2HB SER 82 HB1 SER 82 -4.599 -4.443 -4.866 583 HG SER 82 HG SER 82 -5.075 -5.129 -7.393 584 H LEU 83 HN LEU 83 -7.362 -4.442 -6.096 585 HA LEU 83 HA LEU 83 -8.990 -4.076 -3.604 586 1HB LEU 83 HB2 LEU 83 -10.082 -4.105 -6.444 587 2HB LEU 83 HB1 LEU 83 -11.089 -4.249 -5.030 588 HG LEU 83 HG LEU 83 -9.261 -1.843 -5.532 589 1HD1 LEU 83 HD1 LEU 83 -12.246 -2.175 -6.020 590 2HD1 LEU 83 HD1 LEU 83 -10.978 -2.000 -7.268 591 3HD1 LEU 83 HD1 LEU 83 -11.325 -0.645 -6.161 592 1HD2 LEU 83 HD2 LEU 83 -10.666 -0.788 -3.820 593 2HD2 LEU 83 HD2 LEU 83 -9.878 -2.252 -3.192 594 3HD2 LEU 83 HD2 LEU 83 -11.608 -2.307 -3.676 595 H ASN 84 HN ASN 84 -7.245 -6.186 -4.071 596 HA ASN 84 HA ASN 84 -9.223 -8.443 -4.268 597 1HB ASN 84 HB2 ASN 84 -8.041 -8.079 -6.453 598 2HB ASN 84 HB1 ASN 84 -6.506 -8.344 -5.656 599 1HD2 ASN 84 HD2 ASN 84 -6.291 -10.027 -7.332 600 2HD2 ASN 84 HD2 ASN 84 -6.961 -11.562 -7.010 601 H ILE 85 HN ILE 85 -7.934 -7.154 -1.946 602 HA ILE 85 HA ILE 85 -6.944 -9.624 -0.691 603 HB ILE 85 HB ILE 85 -5.009 -8.222 0.352 604 1HG1 ILE 85 HG1 ILE 85 -4.156 -6.391 -1.221 605 2HG1 ILE 85 HG1 ILE 85 -5.742 -6.359 -1.932 606 1HG2 ILE 85 HG2 ILE 85 -3.496 -8.626 -1.490 607 2HG2 ILE 85 HG2 ILE 85 -4.879 -8.827 -2.605 608 3HG2 ILE 85 HG2 ILE 85 -4.641 -9.979 -1.255 609 1HD1 ILE 85 HD1 ILE 85 -5.211 -5.898 1.041 610 2HD1 ILE 85 HD1 ILE 85 -6.795 -5.762 0.215 611 3HD1 ILE 85 HD1 ILE 85 -5.505 -4.607 -0.169 612 H ASP 86 HN ASP 86 -6.501 -9.056 1.772 613 HA ASP 86 HA ASP 86 -8.282 -6.961 2.788 614 1HB ASP 86 HB2 ASP 86 -9.743 -9.130 2.501 615 2HB ASP 86 HB1 ASP 86 -8.774 -9.791 3.823 616 H CYS 87 HN CYS 87 -7.135 -6.062 4.308 617 HA CYS 87 HA CYS 87 -4.754 -7.169 5.449 618 1HB CYS 87 HB2 CYS 87 -6.489 -4.796 6.140 619 2HB CYS 87 HB1 CYS 87 -4.985 -5.069 6.938 620 H SER 88 HN SER 88 -8.009 -6.771 6.715 621 HA SER 88 HA SER 88 -8.210 -8.964 8.343 622 1HB SER 88 HB2 SER 88 -6.344 -8.401 9.780 623 2HB SER 88 HB1 SER 88 -6.793 -6.692 9.818 624 HG SER 88 HG SER 88 -8.727 -8.367 10.807 625 H ARG 89 HN ARG 89 -8.612 -5.451 8.722 626 HA ARG 89 HA ARG 89 -11.501 -5.698 8.508 627 1HB ARG 89 HB2 ARG 89 -10.656 -6.307 11.009 628 2HB ARG 89 HB1 ARG 89 -10.509 -4.562 11.155 629 1HG ARG 89 HG2 ARG 89 -12.893 -4.267 10.631 630 2HG ARG 89 HG1 ARG 89 -13.071 -6.007 10.418 631 1HD ARG 89 HD2 ARG 89 -12.102 -6.238 12.836 632 2HD ARG 89 HD1 ARG 89 -12.330 -4.499 12.981 633 HE ARG 89 HE ARG 89 -14.770 -4.878 12.597 634 1HH1 ARG 89 HH1 ARG 89 -14.473 -7.577 11.580 635 2HH1 ARG 89 HH1 ARG 89 -14.960 -8.614 12.872 636 1HH2 ARG 89 HH2 ARG 89 -14.515 -5.893 15.162 637 2HH2 ARG 89 HH2 ARG 89 -14.946 -7.558 15.116 638 H VAL 90 HN VAL 90 -9.570 -4.404 7.036 639 HA VAL 90 HA VAL 90 -9.338 -1.627 7.828 640 HB VAL 90 HB VAL 90 -7.492 -2.479 6.470 641 1HG1 VAL 90 HG1 VAL 90 -8.622 -4.453 5.483 642 2HG1 VAL 90 HG1 VAL 90 -7.776 -3.470 4.253 643 3HG1 VAL 90 HG1 VAL 90 -9.555 -3.348 4.438 644 1HG2 VAL 90 HG2 VAL 90 -7.590 -1.110 4.431 645 2HG2 VAL 90 HG2 VAL 90 -8.195 -0.271 5.896 646 3HG2 VAL 90 HG2 VAL 90 -9.345 -0.910 4.685 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 -4.427 5.609 14.438 2 2H ILE 1 HT2 ILE 1 -3.213 6.415 15.329 3 3H ILE 1 HT3 ILE 1 -3.064 4.753 14.946 4 HA ILE 1 HA ILE 1 -2.283 6.981 13.405 5 HB ILE 1 HB ILE 1 -2.293 3.988 12.633 6 1HG1 ILE 1 HG1 ILE 1 -0.179 5.500 14.311 7 2HG1 ILE 1 HG1 ILE 1 -1.271 4.308 14.980 8 1HG2 ILE 1 HG2 ILE 1 -0.377 6.236 11.913 9 2HG2 ILE 1 HG2 ILE 1 -1.679 5.580 10.860 10 3HG2 ILE 1 HG2 ILE 1 -0.331 4.536 11.339 11 1HD1 ILE 1 HD1 ILE 1 0.841 3.749 12.864 12 2HD1 ILE 1 HD1 ILE 1 -0.360 2.580 13.477 13 3HD1 ILE 1 HD1 ILE 1 0.866 3.267 14.585 14 H ASP 2 HN ASP 2 -3.329 7.933 11.721 15 HA ASP 2 HA ASP 2 -5.795 6.620 10.651 16 1HB ASP 2 HB2 ASP 2 -5.127 9.623 10.703 17 2HB ASP 2 HB1 ASP 2 -6.684 8.859 10.427 18 H CYS 3 HN CYS 3 -3.852 9.255 9.355 19 HA CYS 3 HA CYS 3 -2.542 7.686 7.310 20 1HB CYS 3 HB2 CYS 3 -5.038 7.693 6.530 21 2HB CYS 3 HB1 CYS 3 -4.771 9.383 6.158 22 H GLY 4 HN GLY 4 -1.749 9.688 9.082 23 1HA GLY 4 HA2 GLY 4 -1.414 12.184 7.515 24 2HA GLY 4 HA1 GLY 4 -0.830 11.924 9.162 25 H HIS 5 HN HIS 5 0.570 9.529 8.725 26 HA HIS 5 HA HIS 5 2.851 10.537 7.068 27 1HB HIS 5 HB2 HIS 5 3.329 9.982 9.519 28 2HB HIS 5 HB1 HIS 5 2.964 8.300 9.142 29 HD1 HIS 5 HD1 HIS 5 5.609 8.060 9.727 30 HD2 HIS 5 HD2 HIS 5 4.850 9.956 6.196 31 HE1 HIS 5 HE1 HIS 5 7.714 8.014 8.434 32 H VAL 6 HN VAL 6 0.687 7.802 7.511 33 HA VAL 6 HA VAL 6 2.023 5.974 5.757 34 HB VAL 6 HB VAL 6 -0.928 6.195 6.442 35 1HG1 VAL 6 HG1 VAL 6 0.666 4.174 4.902 36 2HG1 VAL 6 HG1 VAL 6 -0.752 5.127 4.357 37 3HG1 VAL 6 HG1 VAL 6 -0.946 3.830 5.565 38 1HG2 VAL 6 HG2 VAL 6 0.483 5.695 8.392 39 2HG2 VAL 6 HG2 VAL 6 1.216 4.330 7.507 40 3HG2 VAL 6 HG2 VAL 6 -0.529 4.301 7.917 41 H ASP 7 HN ASP 7 -0.396 8.455 5.181 42 HA ASP 7 HA ASP 7 -1.137 7.925 2.544 43 1HB ASP 7 HB2 ASP 7 -2.006 9.819 4.017 44 2HB ASP 7 HB1 ASP 7 -0.562 10.728 3.632 45 H SER 8 HN SER 8 1.682 9.667 3.679 46 HA SER 8 HA SER 8 2.708 10.164 0.989 47 1HB SER 8 HB2 SER 8 3.136 11.725 2.954 48 2HB SER 8 HB1 SER 8 4.126 10.457 3.691 49 HG SER 8 HG SER 8 4.562 11.884 1.307 50 H LEU 9 HN LEU 9 3.073 7.570 3.359 51 HA LEU 9 HA LEU 9 5.506 6.556 2.288 52 1HB LEU 9 HB2 LEU 9 3.305 5.640 4.163 53 2HB LEU 9 HB1 LEU 9 4.601 4.607 3.742 54 HG LEU 9 HG LEU 9 5.111 7.391 4.920 55 1HD1 LEU 9 HD1 LEU 9 3.784 6.160 6.553 56 2HD1 LEU 9 HD1 LEU 9 5.471 6.340 7.077 57 3HD1 LEU 9 HD1 LEU 9 4.903 4.767 6.434 58 1HD2 LEU 9 HD2 LEU 9 6.762 4.851 4.893 59 2HD2 LEU 9 HD2 LEU 9 7.263 6.437 5.559 60 3HD2 LEU 9 HD2 LEU 9 7.012 6.250 3.805 61 H VAL 10 HN VAL 10 2.101 5.863 1.852 62 HA VAL 10 HA VAL 10 2.632 3.638 -0.018 63 HB VAL 10 HB VAL 10 0.131 3.517 -0.190 64 1HG1 VAL 10 HG1 VAL 10 1.194 2.442 1.717 65 2HG1 VAL 10 HG1 VAL 10 -0.406 3.102 2.169 66 3HG1 VAL 10 HG1 VAL 10 1.082 3.957 2.658 67 1HG2 VAL 10 HG2 VAL 10 -0.356 5.888 -0.211 68 2HG2 VAL 10 HG2 VAL 10 0.144 6.032 1.500 69 3HG2 VAL 10 HG2 VAL 10 -1.279 5.048 1.072 70 H ARG 11 HN ARG 11 2.109 7.001 -0.227 71 HA ARG 11 HA ARG 11 1.013 7.280 -2.804 72 1HB ARG 11 HB2 ARG 11 2.343 8.975 -0.829 73 2HB ARG 11 HB1 ARG 11 2.993 9.364 -2.392 74 1HG ARG 11 HG2 ARG 11 1.057 10.796 -1.685 75 2HG ARG 11 HG1 ARG 11 0.851 10.050 -3.252 76 1HD ARG 11 HD2 ARG 11 -1.020 8.828 -2.511 77 2HD ARG 11 HD1 ARG 11 -0.308 8.476 -0.962 78 HE ARG 11 HE ARG 11 -0.931 10.788 -0.203 79 1HH1 ARG 11 HH1 ARG 11 -1.562 10.817 -3.330 80 2HH1 ARG 11 HH1 ARG 11 -3.221 11.327 -3.327 81 1HH2 ARG 11 HH2 ARG 11 -3.151 10.863 0.239 82 2HH2 ARG 11 HH2 ARG 11 -4.284 11.298 -1.007 83 HA PRO 12 HA PRO 12 5.451 7.283 -4.722 84 1HB PRO 12 HB2 PRO 12 7.259 5.625 -3.390 85 2HB PRO 12 HB1 PRO 12 7.172 7.376 -3.165 86 1HG PRO 12 HG2 PRO 12 5.813 5.151 -1.539 87 2HG PRO 12 HG1 PRO 12 6.779 6.495 -0.929 88 1HD PRO 12 HD2 PRO 12 4.166 6.736 -0.888 89 2HD PRO 12 HD1 PRO 12 5.077 8.119 -1.481 90 H CYS 13 HN CYS 13 4.051 4.232 -3.210 91 HA CYS 13 HA CYS 13 5.012 2.690 -5.397 92 1HB CYS 13 HB2 CYS 13 3.009 2.166 -3.231 93 2HB CYS 13 HB1 CYS 13 3.690 1.121 -4.313 94 H LEU 14 HN LEU 14 2.209 4.595 -4.702 95 HA LEU 14 HA LEU 14 0.368 3.353 -6.549 96 1HB LEU 14 HB2 LEU 14 0.509 6.111 -5.309 97 2HB LEU 14 HB1 LEU 14 -0.585 5.857 -6.645 98 HG LEU 14 HG LEU 14 -1.695 4.001 -5.344 99 1HD1 LEU 14 HD1 LEU 14 -1.328 3.894 -2.932 100 2HD1 LEU 14 HD1 LEU 14 -0.109 5.179 -3.072 101 3HD1 LEU 14 HD1 LEU 14 0.209 3.554 -3.777 102 1HD2 LEU 14 HD2 LEU 14 -2.821 5.578 -3.787 103 2HD2 LEU 14 HD2 LEU 14 -2.627 6.247 -5.438 104 3HD2 LEU 14 HD2 LEU 14 -1.535 6.767 -4.117 105 H SER 15 HN SER 15 2.840 5.812 -6.950 106 HA SER 15 HA SER 15 2.203 6.811 -9.501 107 1HB SER 15 HB2 SER 15 4.963 6.255 -8.284 108 2HB SER 15 HB1 SER 15 4.694 7.207 -9.757 109 HG SER 15 HG SER 15 3.933 8.761 -8.556 110 H TYR 16 HN TYR 16 3.324 3.654 -8.729 111 HA TYR 16 HA TYR 16 3.999 3.060 -11.564 112 1HB TYR 16 HB2 TYR 16 5.444 2.291 -9.736 113 2HB TYR 16 HB1 TYR 16 4.153 1.407 -9.007 114 HD1 TYR 16 HD1 TYR 16 3.926 -0.876 -9.575 115 HD2 TYR 16 HD2 TYR 16 5.984 1.713 -12.256 116 HE1 TYR 16 HE1 TYR 16 4.507 -2.789 -10.966 117 HE2 TYR 16 HE2 TYR 16 6.557 -0.208 -13.648 118 HH TYR 16 HH TYR 16 5.028 -2.831 -13.638 119 H VAL 17 HN VAL 17 1.864 2.034 -9.039 120 HA VAL 17 HA VAL 17 0.311 0.115 -10.446 121 HB VAL 17 HB VAL 17 -0.936 2.027 -8.464 122 1HG1 VAL 17 HG1 VAL 17 -2.258 0.021 -7.918 123 2HG1 VAL 17 HG1 VAL 17 -1.383 -0.874 -9.217 124 3HG1 VAL 17 HG1 VAL 17 -2.436 0.503 -9.623 125 1HG2 VAL 17 HG2 VAL 17 -0.107 0.362 -6.737 126 2HG2 VAL 17 HG2 VAL 17 1.156 1.323 -7.534 127 3HG2 VAL 17 HG2 VAL 17 0.840 -0.358 -8.076 128 H GLN 18 HN GLN 18 0.069 3.668 -10.675 129 HA GLN 18 HA GLN 18 -2.439 3.679 -11.957 130 1HB GLN 18 HB2 GLN 18 -1.908 5.918 -12.201 131 2HB GLN 18 HB1 GLN 18 -1.175 5.433 -10.719 132 1HG GLN 18 HG2 GLN 18 1.043 5.199 -12.117 133 2HG GLN 18 HG1 GLN 18 0.198 6.100 -13.361 134 1HE2 GLN 18 HE2 GLN 18 -1.123 7.245 -10.531 135 2HE2 GLN 18 HE2 GLN 18 -0.045 8.526 -10.245 136 H GLY 19 HN GLY 19 0.634 2.707 -13.073 137 1HA GLY 19 HA2 GLY 19 0.991 1.561 -15.101 138 2HA GLY 19 HA1 GLY 19 -0.404 2.245 -15.836 139 H GLY 20 HN GLY 20 2.389 3.560 -14.101 140 1HA GLY 20 HA2 GLY 20 3.394 4.912 -16.580 141 2HA GLY 20 HA1 GLY 20 3.132 5.858 -15.106 142 HA PRO 21 HA PRO 21 7.408 4.014 -15.015 143 1HB PRO 21 HB2 PRO 21 8.858 6.311 -14.828 144 2HB PRO 21 HB1 PRO 21 8.274 5.728 -16.392 145 1HG PRO 21 HG2 PRO 21 6.909 7.747 -14.515 146 2HG PRO 21 HG1 PRO 21 7.333 7.992 -16.214 147 1HD PRO 21 HD2 PRO 21 4.829 7.181 -15.525 148 2HD PRO 21 HD1 PRO 21 5.591 6.456 -16.961 149 H GLY 22 HN GLY 22 8.164 3.363 -12.965 150 1HA GLY 22 HA2 GLY 22 8.560 4.852 -10.703 151 2HA GLY 22 HA1 GLY 22 6.835 4.443 -10.663 152 HA PRO 23 HA PRO 23 6.321 3.859 -8.803 153 1HB PRO 23 HB2 PRO 23 6.785 3.104 -6.280 154 2HB PRO 23 HB1 PRO 23 5.776 2.142 -7.359 155 1HG PRO 23 HG2 PRO 23 8.705 1.713 -6.565 156 2HG PRO 23 HG1 PRO 23 7.413 0.542 -6.695 157 1HD PRO 23 HD2 PRO 23 9.231 0.955 -8.753 158 2HD PRO 23 HD1 PRO 23 7.556 0.415 -9.041 159 H SER 24 HN SER 24 9.340 3.322 -7.037 160 HA SER 24 HA SER 24 10.731 5.715 -7.573 161 1HB SER 24 HB2 SER 24 10.104 7.099 -5.516 162 2HB SER 24 HB1 SER 24 8.726 6.966 -6.620 163 HG SER 24 HG SER 24 7.966 5.272 -5.494 164 H GLY 25 HN GLY 25 12.460 6.120 -6.048 165 1HA GLY 25 HA2 GLY 25 13.432 3.639 -4.896 166 2HA GLY 25 HA1 GLY 25 14.201 5.223 -4.712 167 H GLN 26 HN GLN 26 11.146 5.821 -3.891 168 HA GLN 26 HA GLN 26 11.702 5.461 -0.964 169 1HB GLN 26 HB2 GLN 26 9.510 7.061 -2.426 170 2HB GLN 26 HB1 GLN 26 9.726 7.041 -0.690 171 1HG GLN 26 HG2 GLN 26 11.800 8.082 -2.659 172 2HG GLN 26 HG1 GLN 26 10.686 9.100 -1.748 173 1HE2 GLN 26 HE2 GLN 26 13.787 8.655 -1.629 174 2HE2 GLN 26 HE2 GLN 26 14.047 8.434 0.033 175 H CYS 27 HN CYS 27 9.614 4.308 -3.544 176 HA CYS 27 HA CYS 27 7.449 3.315 -2.021 177 1HB CYS 27 HB2 CYS 27 7.484 3.230 -4.426 178 2HB CYS 27 HB1 CYS 27 8.849 2.130 -4.426 179 H CYS 28 HN CYS 28 10.644 1.891 -2.512 180 HA CYS 28 HA CYS 28 9.877 -0.445 -0.887 181 1HB CYS 28 HB2 CYS 28 12.471 0.434 -2.204 182 2HB CYS 28 HB1 CYS 28 12.397 -0.954 -1.138 183 H ASP 29 HN ASP 29 12.506 1.974 -0.386 184 HA ASP 29 HA ASP 29 12.882 1.288 2.337 185 1HB ASP 29 HB2 ASP 29 13.934 3.348 0.620 186 2HB ASP 29 HB1 ASP 29 13.161 4.192 1.935 187 H GLY 30 HN GLY 30 10.720 3.658 0.874 188 1HA GLY 30 HA2 GLY 30 9.615 4.760 3.234 189 2HA GLY 30 HA1 GLY 30 8.804 4.715 1.684 190 H VAL 31 HN VAL 31 8.148 2.234 1.174 191 HA VAL 31 HA VAL 31 6.100 1.707 3.148 192 HB VAL 31 HB VAL 31 7.016 0.106 0.711 193 1HG1 VAL 31 HG1 VAL 31 4.390 0.059 2.247 194 2HG1 VAL 31 HG1 VAL 31 5.633 -1.226 2.220 195 3HG1 VAL 31 HG1 VAL 31 4.755 -0.801 0.720 196 1HG2 VAL 31 HG2 VAL 31 4.786 2.152 1.122 197 2HG2 VAL 31 HG2 VAL 31 5.110 1.228 -0.380 198 3HG2 VAL 31 HG2 VAL 31 6.294 2.428 0.206 199 H LYS 32 HN LYS 32 9.247 0.184 2.531 200 HA LYS 32 HA LYS 32 9.003 -2.149 4.049 201 1HB LYS 32 HB2 LYS 32 10.907 -1.773 2.568 202 2HB LYS 32 HB1 LYS 32 11.240 -0.228 3.305 203 1HG LYS 32 HG2 LYS 32 11.597 -2.675 4.961 204 2HG LYS 32 HG1 LYS 32 12.803 -2.245 3.754 205 1HD LYS 32 HD2 LYS 32 12.862 0.124 4.815 206 2HD LYS 32 HD1 LYS 32 11.891 -0.520 6.124 207 1HE LYS 32 HE2 LYS 32 13.692 -2.238 6.573 208 2HE LYS 32 HE1 LYS 32 14.678 -1.460 5.340 209 1HZ LYS 32 HZ1 LYS 32 14.404 -0.716 8.042 210 2HZ LYS 32 HZ2 LYS 32 13.727 0.516 7.123 211 3HZ LYS 32 HZ3 LYS 32 15.327 0.056 6.845 212 H ASN 33 HN ASN 33 9.935 1.159 4.874 213 HA ASN 33 HA ASN 33 10.334 0.620 7.662 214 1HB ASN 33 HB2 ASN 33 9.763 3.145 6.041 215 2HB ASN 33 HB1 ASN 33 10.124 3.202 7.744 216 1HD2 ASN 33 HD2 ASN 33 11.713 3.915 5.145 217 2HD2 ASN 33 HD2 ASN 33 13.240 3.230 5.355 218 H LEU 34 HN LEU 34 7.485 1.854 5.938 219 HA LEU 34 HA LEU 34 5.835 2.193 8.250 220 1HB LEU 34 HB2 LEU 34 5.245 2.913 5.882 221 2HB LEU 34 HB1 LEU 34 4.934 1.251 5.487 222 HG LEU 34 HG LEU 34 3.377 2.704 7.697 223 1HD1 LEU 34 HD1 LEU 34 2.693 2.198 4.788 224 2HD1 LEU 34 HD1 LEU 34 3.004 3.788 5.540 225 3HD1 LEU 34 HD1 LEU 34 1.577 2.823 6.036 226 1HD2 LEU 34 HD2 LEU 34 2.752 0.157 6.191 227 2HD2 LEU 34 HD2 LEU 34 1.677 1.007 7.354 228 3HD2 LEU 34 HD2 LEU 34 3.174 0.285 7.936 229 H HIS 35 HN HIS 35 6.054 -0.555 6.032 230 HA HIS 35 HA HIS 35 4.324 -2.341 7.293 231 1HB HIS 35 HB2 HIS 35 5.675 -2.584 5.106 232 2HB HIS 35 HB1 HIS 35 7.008 -3.163 6.076 233 HD1 HIS 35 HD1 HIS 35 6.518 -5.459 4.704 234 HD2 HIS 35 HD2 HIS 35 3.619 -4.485 7.417 235 HE1 HIS 35 HE1 HIS 35 5.183 -7.496 5.053 236 H ASN 36 HN ASN 36 7.812 -2.105 7.822 237 HA ASN 36 HA ASN 36 8.074 -3.926 9.948 238 1HB ASN 36 HB2 ASN 36 9.965 -2.661 8.620 239 2HB ASN 36 HB1 ASN 36 9.603 -1.306 9.647 240 1HD2 ASN 36 HD2 ASN 36 9.071 -3.654 11.862 241 2HD2 ASN 36 HD2 ASN 36 10.662 -3.875 12.405 242 H GLN 37 HN GLN 37 7.180 -0.504 9.960 243 HA GLN 37 HA GLN 37 7.174 -0.163 12.812 244 1HB GLN 37 HB2 GLN 37 5.730 1.314 10.579 245 2HB GLN 37 HB1 GLN 37 5.343 1.661 12.234 246 1HG GLN 37 HG2 GLN 37 7.850 2.199 12.574 247 2HG GLN 37 HG1 GLN 37 7.979 2.095 10.818 248 1HE2 GLN 37 HE2 GLN 37 6.329 3.902 13.442 249 2HE2 GLN 37 HE2 GLN 37 5.891 5.194 12.430 250 H ALA 38 HN ALA 38 4.719 -1.172 10.572 251 HA ALA 38 HA ALA 38 2.552 -1.170 12.489 252 1HB ALA 38 HB1 ALA 38 2.193 -1.142 10.101 253 2HB ALA 38 HB2 ALA 38 1.380 -2.558 10.814 254 3HB ALA 38 HB3 ALA 38 2.929 -2.776 9.949 255 H ARG 39 HN ARG 39 3.145 -2.143 14.334 256 HA ARG 39 HA ARG 39 3.881 -5.022 14.328 257 1HB ARG 39 HB2 ARG 39 4.920 -2.964 15.683 258 2HB ARG 39 HB1 ARG 39 3.611 -3.272 16.788 259 1HG ARG 39 HG2 ARG 39 5.731 -5.288 15.994 260 2HG ARG 39 HG1 ARG 39 5.751 -4.333 17.463 261 1HD ARG 39 HD2 ARG 39 3.385 -5.432 17.941 262 2HD ARG 39 HD1 ARG 39 3.869 -6.577 16.697 263 HE ARG 39 HE ARG 39 5.505 -6.142 19.189 264 1HH1 ARG 39 HH2 ARG 39 3.356 -8.243 18.659 265 2HH1 ARG 39 HH2 ARG 39 4.298 -9.666 18.388 266 1HH2 ARG 39 HH1 ARG 39 7.218 -7.679 17.924 267 2HH2 ARG 39 HH1 ARG 39 6.661 -9.307 17.927 268 H SER 40 HN SER 40 1.108 -3.030 14.814 269 HA SER 40 HA SER 40 -0.348 -5.444 15.809 270 1HB SER 40 HB2 SER 40 -0.644 -2.568 16.815 271 2HB SER 40 HB1 SER 40 -1.755 -3.875 17.245 272 HG SER 40 HG SER 40 -0.267 -4.495 18.584 273 H GLN 41 HN GLN 41 -2.789 -5.383 15.403 274 HA GLN 41 HA GLN 41 -3.305 -4.910 12.706 275 1HB GLN 41 HB2 GLN 41 -4.872 -5.539 15.195 276 2HB GLN 41 HB1 GLN 41 -5.774 -4.873 13.867 277 1HG GLN 41 HG2 GLN 41 -4.663 -6.649 12.337 278 2HG GLN 41 HG1 GLN 41 -3.954 -7.357 13.765 279 1HE2 GLN 41 HE2 GLN 41 -6.930 -6.503 14.935 280 2HE2 GLN 41 HE2 GLN 41 -7.778 -7.904 14.497 281 H SER 42 HN SER 42 -3.653 -2.681 15.428 282 HA SER 42 HA SER 42 -5.202 -0.701 14.256 283 1HB SER 42 HB2 SER 42 -2.880 0.402 15.736 284 2HB SER 42 HB1 SER 42 -4.598 0.449 16.168 285 HG SER 42 HG SER 42 -3.573 -0.885 17.604 286 H ASP 43 HN ASP 43 -1.702 -1.332 13.764 287 HA ASP 43 HA ASP 43 -1.594 1.080 12.088 288 1HB ASP 43 HB2 ASP 43 0.417 0.204 13.551 289 2HB ASP 43 HB1 ASP 43 0.598 -0.998 12.306 290 H ARG 44 HN ARG 44 -2.163 -2.226 11.687 291 HA ARG 44 HA ARG 44 -1.465 -2.347 8.838 292 1HB ARG 44 HB2 ARG 44 -3.081 -4.309 10.592 293 2HB ARG 44 HB1 ARG 44 -2.351 -4.691 9.048 294 1HG ARG 44 HG2 ARG 44 -0.110 -4.427 9.893 295 2HG ARG 44 HG1 ARG 44 -0.616 -3.614 11.338 296 1HD ARG 44 HD2 ARG 44 -0.032 -5.690 12.223 297 2HD ARG 44 HD1 ARG 44 -1.735 -5.942 11.969 298 HE ARG 44 HE ARG 44 -1.262 -7.319 10.026 299 1HH1 ARG 44 HH2 ARG 44 1.646 -5.751 10.853 300 2HH1 ARG 44 HH2 ARG 44 2.631 -7.116 10.618 301 1HH2 ARG 44 HH1 ARG 44 -0.210 -9.265 10.126 302 2HH2 ARG 44 HH1 ARG 44 1.513 -9.289 10.186 303 H GLN 45 HN GLN 45 -4.425 -2.051 10.749 304 HA GLN 45 HA GLN 45 -6.179 -1.986 8.446 305 1HB GLN 45 HB2 GLN 45 -6.377 -2.071 11.371 306 2HB GLN 45 HB1 GLN 45 -7.407 -0.801 10.763 307 1HG GLN 45 HG2 GLN 45 -8.622 -2.372 9.349 308 2HG GLN 45 HG1 GLN 45 -7.384 -3.619 9.542 309 1HE2 GLN 45 HE2 GLN 45 -8.206 -5.189 10.715 310 2HE2 GLN 45 HE2 GLN 45 -9.126 -5.010 12.143 311 H SER 46 HN SER 46 -4.589 0.490 10.459 312 HA SER 46 HA SER 46 -5.990 2.698 9.297 313 1HB SER 46 HB2 SER 46 -3.182 2.567 10.488 314 2HB SER 46 HB1 SER 46 -4.113 4.052 10.168 315 HG SER 46 HG SER 46 -4.523 2.071 12.018 316 H ALA 47 HN ALA 47 -2.693 1.525 8.544 317 HA ALA 47 HA ALA 47 -2.450 3.178 6.270 318 1HB ALA 47 HB1 ALA 47 -1.271 0.390 6.844 319 2HB ALA 47 HB2 ALA 47 -0.545 1.936 7.380 320 3HB ALA 47 HB3 ALA 47 -0.605 1.523 5.636 321 H CYS 48 HN CYS 48 -4.175 0.251 6.589 322 HA CYS 48 HA CYS 48 -4.380 -0.396 3.808 323 1HB CYS 48 HB2 CYS 48 -5.055 -1.865 5.749 324 2HB CYS 48 HB1 CYS 48 -6.427 -0.826 6.012 325 H ASN 49 HN ASN 49 -6.451 1.471 5.989 326 HA ASN 49 HA ASN 49 -8.429 2.294 4.144 327 1HB ASN 49 HB2 ASN 49 -7.231 3.939 6.442 328 2HB ASN 49 HB1 ASN 49 -8.743 4.325 5.654 329 1HD2 ASN 49 HD2 ASN 49 -7.724 2.970 8.380 330 2HD2 ASN 49 HD2 ASN 49 -9.067 1.940 8.586 331 H CYS 50 HN CYS 50 -5.280 3.645 4.682 332 HA CYS 50 HA CYS 50 -5.506 5.999 3.087 333 1HB CYS 50 HB2 CYS 50 -3.138 4.163 3.554 334 2HB CYS 50 HB1 CYS 50 -2.974 5.647 2.712 335 H LEU 51 HN LEU 51 -3.971 2.991 2.047 336 HA LEU 51 HA LEU 51 -4.117 3.703 -0.739 337 1HB LEU 51 HB2 LEU 51 -3.456 1.206 -1.032 338 2HB LEU 51 HB1 LEU 51 -2.349 2.227 -0.165 339 HG LEU 51 HG LEU 51 -3.498 1.251 2.031 340 1HD1 LEU 51 HD1 LEU 51 -4.186 -0.886 0.033 341 2HD1 LEU 51 HD1 LEU 51 -5.373 0.109 0.918 342 3HD1 LEU 51 HD1 LEU 51 -4.313 -1.015 1.812 343 1HD2 LEU 51 HD2 LEU 51 -1.773 -0.479 0.271 344 2HD2 LEU 51 HD2 LEU 51 -1.996 -0.650 2.039 345 3HD2 LEU 51 HD2 LEU 51 -1.215 0.812 1.382 346 H LYS 52 HN LYS 52 -6.303 1.760 1.260 347 HA LYS 52 HA LYS 52 -7.865 0.841 -0.987 348 1HB LYS 52 HB2 LYS 52 -7.753 -0.271 1.281 349 2HB LYS 52 HB1 LYS 52 -8.624 1.078 1.979 350 1HG LYS 52 HG2 LYS 52 -10.520 0.644 0.389 351 2HG LYS 52 HG1 LYS 52 -9.637 -0.718 -0.267 352 1HD LYS 52 HD2 LYS 52 -9.734 -1.902 1.873 353 2HD LYS 52 HD1 LYS 52 -10.485 -0.514 2.649 354 1HE LYS 52 HE2 LYS 52 -12.406 -0.649 1.034 355 2HE LYS 52 HE1 LYS 52 -11.685 -2.056 0.278 356 1HZ LYS 52 HZ1 LYS 52 -11.913 -2.587 3.040 357 2HZ LYS 52 HZ2 LYS 52 -12.721 -3.333 1.771 358 3HZ LYS 52 HZ3 LYS 52 -13.391 -1.948 2.486 359 H GLY 53 HN GLY 53 -8.242 3.516 1.313 360 1HA GLY 53 HA2 GLY 53 -10.732 4.518 0.421 361 2HA GLY 53 HA1 GLY 53 -9.459 5.503 1.157 362 H ILE 54 HN ILE 54 -7.461 5.024 -0.747 363 HA ILE 54 HA ILE 54 -8.135 6.995 -2.741 364 HB ILE 54 HB ILE 54 -5.776 5.103 -2.384 365 1HG1 ILE 54 HG1 ILE 54 -5.824 8.131 -2.049 366 2HG1 ILE 54 HG1 ILE 54 -6.154 7.037 -0.724 367 1HG2 ILE 54 HG2 ILE 54 -6.131 7.307 -4.426 368 2HG2 ILE 54 HG2 ILE 54 -5.996 5.541 -4.744 369 3HG2 ILE 54 HG2 ILE 54 -4.605 6.445 -4.094 370 1HD1 ILE 54 HD1 ILE 54 -3.575 7.032 -2.365 371 2HD1 ILE 54 HD1 ILE 54 -3.959 5.947 -0.990 372 3HD1 ILE 54 HD1 ILE 54 -3.764 7.702 -0.722 373 H ALA 55 HN ALA 55 -7.171 3.601 -3.245 374 HA ALA 55 HA ALA 55 -7.706 3.424 -5.952 375 1HB ALA 55 HB1 ALA 55 -8.285 1.368 -3.786 376 2HB ALA 55 HB2 ALA 55 -6.729 1.656 -4.629 377 3HB ALA 55 HB3 ALA 55 -8.120 0.997 -5.531 378 H ARG 56 HN ARG 56 -10.021 3.246 -3.330 379 HA ARG 56 HA ARG 56 -12.312 2.440 -4.739 380 1HB ARG 56 HB2 ARG 56 -12.008 2.795 -2.182 381 2HB ARG 56 HB1 ARG 56 -12.291 4.498 -2.471 382 1HG ARG 56 HG2 ARG 56 -14.271 2.472 -3.566 383 2HG ARG 56 HG1 ARG 56 -14.320 2.830 -1.860 384 1HD ARG 56 HD2 ARG 56 -14.370 5.182 -3.804 385 2HD ARG 56 HD1 ARG 56 -15.814 4.220 -3.622 386 HE ARG 56 HE ARG 56 -14.396 5.490 -1.286 387 1HH1 ARG 56 HH2 ARG 56 -16.649 3.530 -1.222 388 2HH1 ARG 56 HH2 ARG 56 -18.061 4.483 -0.935 389 1HH2 ARG 56 HH1 ARG 56 -16.232 7.408 -1.834 390 2HH2 ARG 56 HH1 ARG 56 -17.795 6.896 -1.319 391 H GLY 57 HN GLY 57 -10.761 5.549 -4.852 392 1HA GLY 57 HA2 GLY 57 -13.088 6.761 -6.259 393 2HA GLY 57 HA1 GLY 57 -11.666 7.623 -5.672 394 H ILE 58 HN ILE 58 -9.974 5.415 -6.882 395 HA ILE 58 HA ILE 58 -9.580 6.748 -9.446 396 HB ILE 58 HB ILE 58 -8.351 4.149 -8.353 397 1HG1 ILE 58 HG1 ILE 58 -7.421 7.080 -8.222 398 2HG1 ILE 58 HG1 ILE 58 -7.958 6.140 -6.858 399 1HG2 ILE 58 HG2 ILE 58 -6.534 4.525 -9.932 400 2HG2 ILE 58 HG2 ILE 58 -7.343 6.011 -10.528 401 3HG2 ILE 58 HG2 ILE 58 -8.082 4.406 -10.802 402 1HD1 ILE 58 HD1 ILE 58 -6.027 4.576 -7.183 403 2HD1 ILE 58 HD1 ILE 58 -5.509 6.264 -6.878 404 3HD1 ILE 58 HD1 ILE 58 -5.470 5.606 -8.536 405 H HIS 59 HN HIS 59 -10.931 3.685 -8.447 406 HA HIS 59 HA HIS 59 -12.432 2.238 -9.470 407 1HB HIS 59 HB2 HIS 59 -13.550 4.403 -10.333 408 2HB HIS 59 HB1 HIS 59 -12.684 4.152 -11.848 409 HD1 HIS 59 HD1 HIS 59 -12.977 0.943 -11.666 410 HD2 HIS 59 HD2 HIS 59 -16.058 3.634 -11.386 411 HE1 HIS 59 HE1 HIS 59 -15.021 -0.264 -12.274 412 H ASN 60 HN ASN 60 -10.449 3.699 -12.089 413 HA ASN 60 HA ASN 60 -10.058 0.958 -13.207 414 1HB ASN 60 HB2 ASN 60 -10.725 2.874 -14.712 415 2HB ASN 60 HB1 ASN 60 -9.186 3.653 -14.335 416 1HD2 ASN 60 HD2 ASN 60 -7.334 2.855 -15.383 417 2HD2 ASN 60 HD2 ASN 60 -7.388 1.559 -16.488 418 H LEU 61 HN LEU 61 -8.711 0.283 -11.463 419 HA LEU 61 HA LEU 61 -6.027 1.579 -11.311 420 1HB LEU 61 HB2 LEU 61 -7.393 1.256 -9.246 421 2HB LEU 61 HB1 LEU 61 -7.367 -0.473 -9.513 422 HG LEU 61 HG LEU 61 -4.658 0.841 -9.480 423 1HD1 LEU 61 HD1 LEU 61 -5.837 2.071 -7.702 424 2HD1 LEU 61 HD1 LEU 61 -4.563 0.963 -7.143 425 3HD1 LEU 61 HD1 LEU 61 -6.292 0.507 -6.952 426 1HD2 LEU 61 HD2 LEU 61 -4.126 -1.158 -8.194 427 2HD2 LEU 61 HD2 LEU 61 -5.028 -1.614 -9.664 428 3HD2 LEU 61 HD2 LEU 61 -5.862 -1.575 -8.081 429 H ASN 62 HN ASN 62 -4.062 0.305 -11.527 430 HA ASN 62 HA ASN 62 -4.508 -2.079 -13.248 431 1HB ASN 62 HB2 ASN 62 -2.977 -0.177 -14.031 432 2HB ASN 62 HB1 ASN 62 -1.901 -0.636 -12.710 433 1HD2 ASN 62 HD2 ASN 62 -0.199 -1.350 -14.098 434 2HD2 ASN 62 HD2 ASN 62 -0.317 -2.769 -15.001 435 H GLU 63 HN GLU 63 -4.923 -3.681 -11.811 436 HA GLU 63 HA GLU 63 -3.617 -4.163 -9.352 437 1HB GLU 63 HB2 GLU 63 -4.560 -6.476 -9.600 438 2HB GLU 63 HB1 GLU 63 -5.742 -5.246 -9.967 439 1HG GLU 63 HG2 GLU 63 -5.295 -5.668 -12.455 440 2HG GLU 63 HG1 GLU 63 -4.290 -7.036 -11.972 441 H ASP 64 HN ASP 64 -2.813 -5.127 -12.600 442 HA ASP 64 HA ASP 64 -0.746 -6.956 -12.217 443 1HB ASP 64 HB2 ASP 64 -1.403 -6.600 -14.430 444 2HB ASP 64 HB1 ASP 64 -1.464 -4.863 -14.273 445 H ASN 65 HN ASN 65 -0.384 -3.424 -12.251 446 HA ASN 65 HA ASN 65 2.448 -3.640 -11.575 447 1HB ASN 65 HB2 ASN 65 0.530 -1.345 -11.870 448 2HB ASN 65 HB1 ASN 65 2.079 -1.048 -11.103 449 1HD2 ASN 65 HD2 ASN 65 1.191 0.068 -13.633 450 2HD2 ASN 65 HD2 ASN 65 2.224 -0.517 -14.852 451 H ALA 66 HN ALA 66 -0.514 -2.755 -9.786 452 HA ALA 66 HA ALA 66 0.691 -2.129 -7.324 453 1HB ALA 66 HB1 ALA 66 -1.821 -2.030 -7.658 454 2HB ALA 66 HB2 ALA 66 -1.370 -2.958 -6.206 455 3HB ALA 66 HB3 ALA 66 -1.816 -3.814 -7.719 456 H ARG 67 HN ARG 67 -0.040 -5.317 -8.621 457 HA ARG 67 HA ARG 67 1.061 -6.601 -6.215 458 1HB ARG 67 HB2 ARG 67 0.216 -7.836 -8.895 459 2HB ARG 67 HB1 ARG 67 0.625 -8.742 -7.441 460 1HG ARG 67 HG2 ARG 67 -1.239 -7.207 -6.276 461 2HG ARG 67 HG1 ARG 67 -1.726 -6.832 -7.903 462 1HD ARG 67 HD2 ARG 67 -3.218 -8.554 -7.421 463 2HD ARG 67 HD1 ARG 67 -1.931 -9.458 -8.197 464 HE ARG 67 HE ARG 67 -1.116 -10.041 -5.839 465 1HH1 ARG 67 HH2 ARG 67 -3.760 -11.293 -6.572 466 2HH1 ARG 67 HH2 ARG 67 -4.681 -11.035 -5.120 467 1HH2 ARG 67 HH1 ARG 67 -2.456 -8.628 -3.905 468 2HH2 ARG 67 HH1 ARG 67 -3.929 -9.521 -3.603 469 H SER 68 HN SER 68 2.368 -5.342 -9.103 470 HA SER 68 HA SER 68 4.774 -7.062 -8.996 471 1HB SER 68 HB2 SER 68 3.985 -4.725 -10.754 472 2HB SER 68 HB1 SER 68 5.545 -5.567 -10.898 473 HG SER 68 HG SER 68 2.947 -6.471 -11.372 474 H ILE 69 HN ILE 69 3.764 -4.486 -7.214 475 HA ILE 69 HA ILE 69 6.304 -3.032 -6.999 476 HB ILE 69 HB ILE 69 3.596 -2.949 -5.569 477 1HG1 ILE 69 HG1 ILE 69 5.052 -0.905 -7.238 478 2HG1 ILE 69 HG1 ILE 69 3.911 -2.074 -7.868 479 1HG2 ILE 69 HG2 ILE 69 5.293 -2.481 -3.829 480 2HG2 ILE 69 HG2 ILE 69 4.336 -1.037 -4.259 481 3HG2 ILE 69 HG2 ILE 69 5.992 -1.245 -4.913 482 1HD1 ILE 69 HD1 ILE 69 2.858 0.071 -7.481 483 2HD1 ILE 69 HD1 ILE 69 3.301 0.054 -5.758 484 3HD1 ILE 69 HD1 ILE 69 2.160 -1.168 -6.374 485 HA PRO 70 HA PRO 70 6.584 -5.195 -2.734 486 1HB PRO 70 HB2 PRO 70 5.003 -7.471 -2.359 487 2HB PRO 70 HB1 PRO 70 4.578 -5.854 -1.778 488 1HG PRO 70 HG2 PRO 70 3.643 -7.292 -4.307 489 2HG PRO 70 HG1 PRO 70 2.737 -6.310 -3.184 490 1HD PRO 70 HD2 PRO 70 3.581 -5.225 -5.481 491 2HD PRO 70 HD1 PRO 70 3.552 -4.271 -3.983 492 HA PRO 71 HA PRO 71 7.969 -9.452 -4.498 493 1HB PRO 71 HB2 PRO 71 7.851 -9.825 -7.223 494 2HB PRO 71 HB1 PRO 71 6.527 -10.272 -6.142 495 1HG PRO 71 HG2 PRO 71 6.826 -7.646 -7.726 496 2HG PRO 71 HG1 PRO 71 5.467 -8.755 -7.667 497 1HD PRO 71 HD2 PRO 71 5.415 -6.652 -6.037 498 2HD PRO 71 HD1 PRO 71 4.914 -8.246 -5.429 499 H LYS 72 HN LYS 72 8.395 -7.075 -7.084 500 HA LYS 72 HA LYS 72 11.157 -7.483 -7.518 501 1HB LYS 72 HB2 LYS 72 11.204 -5.151 -8.364 502 2HB LYS 72 HB1 LYS 72 9.886 -6.082 -9.076 503 1HG LYS 72 HG2 LYS 72 8.388 -5.042 -7.265 504 2HG LYS 72 HG1 LYS 72 9.708 -3.979 -6.851 505 1HD LYS 72 HD2 LYS 72 8.536 -4.201 -9.632 506 2HD LYS 72 HD1 LYS 72 7.998 -3.025 -8.458 507 1HE LYS 72 HE2 LYS 72 10.284 -2.034 -8.363 508 2HE LYS 72 HE1 LYS 72 10.843 -3.218 -9.550 509 1HZ LYS 72 HZ1 LYS 72 8.506 -2.075 -10.558 510 2HZ LYS 72 HZ2 LYS 72 10.071 -1.887 -11.152 511 3HZ LYS 72 HZ3 LYS 72 9.473 -0.783 -10.044 512 H CYS 73 HN CYS 73 9.522 -5.341 -5.292 513 HA CYS 73 HA CYS 73 11.798 -3.984 -4.277 514 1HB CYS 73 HB2 CYS 73 9.269 -3.521 -3.966 515 2HB CYS 73 HB1 CYS 73 9.307 -4.793 -2.831 516 H GLY 74 HN GLY 74 10.131 -6.839 -3.008 517 1HA GLY 74 HA2 GLY 74 11.269 -8.774 -2.057 518 2HA GLY 74 HA1 GLY 74 12.695 -7.757 -1.760 519 H VAL 75 HN VAL 75 9.384 -6.972 -1.204 520 HA VAL 75 HA VAL 75 9.833 -6.890 1.737 521 HB VAL 75 HB VAL 75 8.482 -4.944 -0.235 522 1HG1 VAL 75 HG1 VAL 75 7.979 -3.436 1.548 523 2HG1 VAL 75 HG1 VAL 75 8.564 -4.628 2.758 524 3HG1 VAL 75 HG1 VAL 75 7.129 -4.989 1.748 525 1HG2 VAL 75 HG2 VAL 75 10.822 -4.598 1.645 526 2HG2 VAL 75 HG2 VAL 75 10.141 -3.332 0.578 527 3HG2 VAL 75 HG2 VAL 75 10.898 -4.782 -0.134 528 H ASN 76 HN ASN 76 7.539 -7.419 -0.774 529 HA ASN 76 HA ASN 76 5.508 -8.561 -0.781 530 1HB ASN 76 HB2 ASN 76 7.302 -10.220 0.069 531 2HB ASN 76 HB1 ASN 76 6.479 -10.072 1.613 532 1HD2 ASN 76 HD2 ASN 76 4.150 -10.522 1.721 533 2HD2 ASN 76 HD2 ASN 76 3.386 -11.486 0.534 534 H LEU 77 HN LEU 77 4.489 -6.534 0.008 535 HA LEU 77 HA LEU 77 3.782 -6.296 2.798 536 1HB LEU 77 HB2 LEU 77 3.223 -4.732 0.333 537 2HB LEU 77 HB1 LEU 77 1.781 -4.919 1.254 538 HG LEU 77 HG LEU 77 2.889 -4.083 3.274 539 1HD1 LEU 77 HD1 LEU 77 5.040 -2.960 3.149 540 2HD1 LEU 77 HD1 LEU 77 5.207 -3.500 1.450 541 3HD1 LEU 77 HD1 LEU 77 5.181 -4.700 2.781 542 1HD2 LEU 77 HD2 LEU 77 1.652 -2.534 1.855 543 2HD2 LEU 77 HD2 LEU 77 3.141 -2.190 0.929 544 3HD2 LEU 77 HD2 LEU 77 3.036 -1.742 2.660 545 HA PRO 78 HA PRO 78 0.268 -8.910 2.776 546 1HB PRO 78 HB2 PRO 78 -1.067 -8.182 4.981 547 2HB PRO 78 HB1 PRO 78 0.602 -8.752 5.129 548 1HG PRO 78 HG2 PRO 78 -0.408 -5.870 5.086 549 2HG PRO 78 HG1 PRO 78 0.783 -6.583 6.165 550 1HD PRO 78 HD2 PRO 78 1.377 -5.165 3.835 551 2HD PRO 78 HD1 PRO 78 2.534 -6.305 4.566 552 H TYR 79 HN TYR 79 0.087 -5.720 1.897 553 HA TYR 79 HA TYR 79 -2.441 -6.086 0.579 554 1HB TYR 79 HB2 TYR 79 -3.481 -3.990 1.808 555 2HB TYR 79 HB1 TYR 79 -3.418 -5.485 2.716 556 HD1 TYR 79 HD1 TYR 79 -3.296 -4.765 4.947 557 HD2 TYR 79 HD2 TYR 79 -0.574 -2.988 2.194 558 HE1 TYR 79 HE1 TYR 79 -2.103 -3.666 6.780 559 HE2 TYR 79 HE2 TYR 79 0.596 -1.929 4.006 560 HH TYR 79 HH TYR 79 0.543 -1.390 6.187 561 H THR 80 HN THR 80 -2.976 -4.200 -0.918 562 HA THR 80 HA THR 80 -0.821 -2.198 -1.205 563 HB THR 80 HB THR 80 0.010 -4.133 -2.668 564 HG1 THR 80 HG1 THR 80 0.389 -2.868 -4.367 565 1HG2 THR 80 HG2 THR 80 -1.193 -4.753 -4.676 566 2HG2 THR 80 HG2 THR 80 -2.543 -3.651 -4.255 567 3HG2 THR 80 HG2 THR 80 -2.233 -5.104 -3.264 568 H ILE 81 HN ILE 81 -1.632 -0.935 -3.442 569 HA ILE 81 HA ILE 81 -4.197 0.126 -2.675 570 HB ILE 81 HB ILE 81 -2.390 1.607 -3.318 571 1HG1 ILE 81 HG1 ILE 81 -3.207 2.307 -5.799 572 2HG1 ILE 81 HG1 ILE 81 -4.546 1.360 -5.205 573 1HG2 ILE 81 HG2 ILE 81 -1.238 1.553 -5.465 574 2HG2 ILE 81 HG2 ILE 81 -2.055 -0.015 -5.800 575 3HG2 ILE 81 HG2 ILE 81 -0.872 0.143 -4.460 576 1HD1 ILE 81 HD1 ILE 81 -4.906 3.728 -4.678 577 2HD1 ILE 81 HD1 ILE 81 -3.411 3.684 -3.686 578 3HD1 ILE 81 HD1 ILE 81 -4.797 2.663 -3.242 579 H SER 82 HN SER 82 -5.142 -2.105 -2.933 580 HA SER 82 HA SER 82 -6.534 -2.286 -5.517 581 1HB SER 82 HB2 SER 82 -4.523 -3.737 -5.902 582 2HB SER 82 HB1 SER 82 -4.900 -4.637 -4.423 583 HG SER 82 HG SER 82 -6.180 -5.768 -5.684 584 H LEU 83 HN LEU 83 -8.309 -3.943 -5.341 585 HA LEU 83 HA LEU 83 -9.362 -4.025 -2.521 586 1HB LEU 83 HB2 LEU 83 -10.891 -4.319 -5.141 587 2HB LEU 83 HB1 LEU 83 -11.593 -4.295 -3.546 588 HG LEU 83 HG LEU 83 -10.101 -1.970 -4.829 589 1HD1 LEU 83 HD1 LEU 83 -12.257 -2.498 -5.877 590 2HD1 LEU 83 HD1 LEU 83 -12.340 -0.962 -4.975 591 3HD1 LEU 83 HD1 LEU 83 -13.049 -2.446 -4.272 592 1HD2 LEU 83 HD2 LEU 83 -10.951 -0.667 -2.936 593 2HD2 LEU 83 HD2 LEU 83 -9.920 -1.998 -2.357 594 3HD2 LEU 83 HD2 LEU 83 -11.707 -2.137 -2.250 595 H ASN 84 HN ASN 84 -7.574 -5.841 -2.898 596 HA ASN 84 HA ASN 84 -9.087 -8.388 -3.462 597 1HB ASN 84 HB2 ASN 84 -7.392 -8.167 -5.177 598 2HB ASN 84 HB1 ASN 84 -6.145 -7.766 -3.999 599 1HD2 ASN 84 HD2 ASN 84 -8.620 -10.357 -4.222 600 2HD2 ASN 84 HD2 ASN 84 -7.529 -11.628 -3.948 601 H ILE 85 HN ILE 85 -6.241 -7.257 -1.708 602 HA ILE 85 HA ILE 85 -6.101 -9.409 0.126 603 HB ILE 85 HB ILE 85 -4.776 -7.474 1.468 604 1HG1 ILE 85 HG1 ILE 85 -4.236 -5.475 0.255 605 2HG1 ILE 85 HG1 ILE 85 -4.767 -6.082 -1.279 606 1HG2 ILE 85 HG2 ILE 85 -3.832 -9.317 0.204 607 2HG2 ILE 85 HG2 ILE 85 -2.878 -7.847 -0.070 608 3HG2 ILE 85 HG2 ILE 85 -4.038 -8.394 -1.322 609 1HD1 ILE 85 HD1 ILE 85 -6.182 -4.260 -0.426 610 2HD1 ILE 85 HD1 ILE 85 -6.453 -5.144 1.107 611 3HD1 ILE 85 HD1 ILE 85 -7.157 -5.751 -0.420 612 H ASP 86 HN ASP 86 -6.504 -9.305 2.487 613 HA ASP 86 HA ASP 86 -8.995 -7.744 3.103 614 1HB ASP 86 HB2 ASP 86 -9.535 -10.159 2.910 615 2HB ASP 86 HB1 ASP 86 -8.293 -10.542 4.098 616 H CYS 87 HN CYS 87 -7.805 -6.082 4.150 617 HA CYS 87 HA CYS 87 -5.854 -6.530 6.175 618 1HB CYS 87 HB2 CYS 87 -7.768 -4.217 5.910 619 2HB CYS 87 HB1 CYS 87 -6.266 -4.208 6.802 620 H SER 88 HN SER 88 -9.185 -7.274 6.370 621 HA SER 88 HA SER 88 -9.418 -6.685 9.231 622 1HB SER 88 HB2 SER 88 -11.248 -8.262 7.348 623 2HB SER 88 HB1 SER 88 -11.637 -7.737 8.992 624 HG SER 88 HG SER 88 -12.045 -5.842 8.123 625 H ARG 89 HN ARG 89 -7.897 -9.105 7.395 626 HA ARG 89 HA ARG 89 -7.888 -10.814 9.811 627 1HB ARG 89 HB2 ARG 89 -9.411 -11.478 7.642 628 2HB ARG 89 HB1 ARG 89 -7.927 -12.268 7.198 629 1HG ARG 89 HG2 ARG 89 -9.643 -12.748 9.672 630 2HG ARG 89 HG1 ARG 89 -9.246 -13.883 8.404 631 1HD ARG 89 HD2 ARG 89 -7.819 -14.625 10.126 632 2HD ARG 89 HD1 ARG 89 -6.751 -13.579 9.203 633 HE ARG 89 HE ARG 89 -8.150 -12.741 11.741 634 1HH1 ARG 89 HH2 ARG 89 -5.138 -13.582 10.773 635 2HH1 ARG 89 HH2 ARG 89 -4.376 -12.050 11.094 636 1HH2 ARG 89 HH1 ARG 89 -7.307 -10.339 11.772 637 2HH2 ARG 89 HH1 ARG 89 -5.604 -10.261 11.683 638 H VAL 90 HN VAL 90 -5.845 -9.049 9.141 639 HA VAL 90 HA VAL 90 -3.720 -10.793 7.941 640 HB VAL 90 HB VAL 90 -2.422 -8.608 7.757 641 1HG1 VAL 90 HG1 VAL 90 -3.768 -7.711 5.894 642 2HG1 VAL 90 HG1 VAL 90 -5.175 -8.636 6.518 643 3HG1 VAL 90 HG1 VAL 90 -3.747 -9.496 5.886 644 1HG2 VAL 90 HG2 VAL 90 -5.092 -7.393 8.564 645 2HG2 VAL 90 HG2 VAL 90 -3.637 -6.510 8.033 646 3HG2 VAL 90 HG2 VAL 90 -3.617 -7.427 9.573 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 -3.981 6.865 13.837 2 2H ILE 1 HT2 ILE 1 -2.518 7.189 14.619 3 3H ILE 1 HT3 ILE 1 -3.029 5.569 14.402 4 HA ILE 1 HA ILE 1 -1.560 7.239 12.640 5 HB ILE 1 HB ILE 1 -2.505 4.293 12.450 6 1HG1 ILE 1 HG1 ILE 1 0.183 5.501 13.352 7 2HG1 ILE 1 HG1 ILE 1 -1.012 4.956 14.507 8 1HG2 ILE 1 HG2 ILE 1 -0.663 4.040 10.867 9 2HG2 ILE 1 HG2 ILE 1 -0.246 5.770 11.052 10 3HG2 ILE 1 HG2 ILE 1 -1.791 5.284 10.281 11 1HD1 ILE 1 HD1 ILE 1 -0.817 2.622 13.594 12 2HD1 ILE 1 HD1 ILE 1 0.737 3.261 14.212 13 3HD1 ILE 1 HD1 ILE 1 0.441 3.201 12.461 14 H ASP 2 HN ASP 2 -4.486 5.226 11.909 15 HA ASP 2 HA ASP 2 -6.157 5.537 10.403 16 1HB ASP 2 HB2 ASP 2 -5.585 8.556 10.799 17 2HB ASP 2 HB1 ASP 2 -7.111 7.800 10.393 18 H CYS 3 HN CYS 3 -4.478 8.407 9.267 19 HA CYS 3 HA CYS 3 -2.997 7.082 7.165 20 1HB CYS 3 HB2 CYS 3 -5.393 6.780 6.355 21 2HB CYS 3 HB1 CYS 3 -5.462 8.520 6.124 22 H GLY 4 HN GLY 4 -2.426 9.038 9.019 23 1HA GLY 4 HA2 GLY 4 -2.237 11.626 7.543 24 2HA GLY 4 HA1 GLY 4 -1.735 11.367 9.214 25 H HIS 5 HN HIS 5 -0.215 8.964 8.528 26 HA HIS 5 HA HIS 5 2.129 10.278 7.186 27 1HB HIS 5 HB2 HIS 5 2.541 9.555 9.642 28 2HB HIS 5 HB1 HIS 5 2.344 7.885 9.105 29 HD1 HIS 5 HD1 HIS 5 5.066 7.813 9.750 30 HD2 HIS 5 HD2 HIS 5 4.140 9.996 6.416 31 HE1 HIS 5 HE1 HIS 5 7.160 8.115 8.497 32 H VAL 6 HN VAL 6 0.183 7.374 7.340 33 HA VAL 6 HA VAL 6 1.746 5.745 5.584 34 HB VAL 6 HB VAL 6 -1.243 5.742 6.095 35 1HG1 VAL 6 HG1 VAL 6 0.583 3.849 4.631 36 2HG1 VAL 6 HG1 VAL 6 -0.833 4.740 3.976 37 3HG1 VAL 6 HG1 VAL 6 -1.060 3.408 5.132 38 1HG2 VAL 6 HG2 VAL 6 0.106 5.319 8.089 39 2HG2 VAL 6 HG2 VAL 6 0.993 4.038 7.222 40 3HG2 VAL 6 HG2 VAL 6 -0.758 3.849 7.554 41 H ASP 7 HN ASP 7 -0.617 8.224 4.979 42 HA ASP 7 HA ASP 7 -1.308 7.839 2.311 43 1HB ASP 7 HB2 ASP 7 -2.170 9.598 3.919 44 2HB ASP 7 HB1 ASP 7 -0.674 10.456 3.721 45 H SER 8 HN SER 8 1.472 9.540 3.611 46 HA SER 8 HA SER 8 2.616 10.121 1.012 47 1HB SER 8 HB2 SER 8 4.533 10.842 2.723 48 2HB SER 8 HB1 SER 8 2.987 11.713 2.642 49 HG SER 8 HG SER 8 3.240 9.482 4.420 50 H LEU 9 HN LEU 9 2.955 7.478 3.343 51 HA LEU 9 HA LEU 9 5.427 6.515 2.300 52 1HB LEU 9 HB2 LEU 9 3.197 5.565 4.101 53 2HB LEU 9 HB1 LEU 9 4.500 4.530 3.682 54 HG LEU 9 HG LEU 9 5.063 7.311 4.845 55 1HD1 LEU 9 HD1 LEU 9 3.562 6.171 6.394 56 2HD1 LEU 9 HD1 LEU 9 5.212 6.300 7.048 57 3HD1 LEU 9 HD1 LEU 9 4.636 4.737 6.396 58 1HD2 LEU 9 HD2 LEU 9 7.127 6.246 5.592 59 2HD2 LEU 9 HD2 LEU 9 6.934 6.007 3.835 60 3HD2 LEU 9 HD2 LEU 9 6.550 4.672 4.960 61 H VAL 10 HN VAL 10 2.007 5.862 1.712 62 HA VAL 10 HA VAL 10 2.616 3.704 -0.204 63 HB VAL 10 HB VAL 10 0.163 3.581 -0.464 64 1HG1 VAL 10 HG1 VAL 10 1.005 3.975 2.430 65 2HG1 VAL 10 HG1 VAL 10 1.161 2.481 1.466 66 3HG1 VAL 10 HG1 VAL 10 -0.461 3.111 1.887 67 1HG2 VAL 10 HG2 VAL 10 -0.013 6.057 1.243 68 2HG2 VAL 10 HG2 VAL 10 -1.362 5.014 0.732 69 3HG2 VAL 10 HG2 VAL 10 -0.407 5.901 -0.496 70 H ARG 11 HN ARG 11 2.282 7.062 -0.292 71 HA ARG 11 HA ARG 11 1.199 7.463 -2.860 72 1HB ARG 11 HB2 ARG 11 2.207 9.095 -0.795 73 2HB ARG 11 HB1 ARG 11 3.397 9.336 -2.045 74 1HG ARG 11 HG2 ARG 11 1.576 11.038 -2.053 75 2HG ARG 11 HG1 ARG 11 1.784 10.197 -3.585 76 1HD ARG 11 HD2 ARG 11 -0.215 8.900 -3.271 77 2HD ARG 11 HD1 ARG 11 -0.217 9.166 -1.540 78 HE ARG 11 HE ARG 11 -0.650 11.486 -3.391 79 1HH1 ARG 11 HH1 ARG 11 -0.745 11.055 -0.272 80 2HH1 ARG 11 HH1 ARG 11 -2.384 11.126 0.032 81 1HH2 ARG 11 HH2 ARG 11 -3.234 10.921 -3.419 82 2HH2 ARG 11 HH2 ARG 11 -3.891 11.063 -1.831 83 HA PRO 12 HA PRO 12 5.690 7.380 -4.688 84 1HB PRO 12 HB2 PRO 12 7.328 5.550 -3.384 85 2HB PRO 12 HB1 PRO 12 7.352 7.291 -3.081 86 1HG PRO 12 HG2 PRO 12 5.760 5.103 -1.610 87 2HG PRO 12 HG1 PRO 12 6.825 6.316 -0.899 88 1HD PRO 12 HD2 PRO 12 4.268 6.806 -0.908 89 2HD PRO 12 HD1 PRO 12 5.304 8.117 -1.461 90 H CYS 13 HN CYS 13 4.165 4.341 -3.275 91 HA CYS 13 HA CYS 13 5.013 2.823 -5.506 92 1HB CYS 13 HB2 CYS 13 3.010 2.408 -3.310 93 2HB CYS 13 HB1 CYS 13 3.572 1.330 -4.485 94 H LEU 14 HN LEU 14 2.414 5.022 -4.932 95 HA LEU 14 HA LEU 14 0.518 3.788 -6.748 96 1HB LEU 14 HB2 LEU 14 0.767 6.495 -5.433 97 2HB LEU 14 HB1 LEU 14 -0.176 6.447 -6.899 98 HG LEU 14 HG LEU 14 -1.595 4.618 -5.873 99 1HD1 LEU 14 HD1 LEU 14 -1.567 4.428 -3.413 100 2HD1 LEU 14 HD1 LEU 14 -0.184 5.553 -3.354 101 3HD1 LEU 14 HD1 LEU 14 0.012 3.942 -4.106 102 1HD2 LEU 14 HD2 LEU 14 -2.243 6.956 -6.052 103 2HD2 LEU 14 HD2 LEU 14 -1.406 7.311 -4.505 104 3HD2 LEU 14 HD2 LEU 14 -2.849 6.258 -4.529 105 H SER 15 HN SER 15 3.152 5.986 -7.176 106 HA SER 15 HA SER 15 2.579 7.043 -9.747 107 1HB SER 15 HB2 SER 15 4.620 7.561 -8.105 108 2HB SER 15 HB1 SER 15 5.443 6.258 -8.964 109 HG SER 15 HG SER 15 5.024 8.755 -9.813 110 H TYR 16 HN TYR 16 3.444 3.839 -8.894 111 HA TYR 16 HA TYR 16 4.017 3.103 -11.721 112 1HB TYR 16 HB2 TYR 16 5.520 2.234 -10.020 113 2HB TYR 16 HB1 TYR 16 4.207 1.590 -9.091 114 HD1 TYR 16 HD1 TYR 16 4.860 1.386 -12.807 115 HD2 TYR 16 HD2 TYR 16 4.428 -0.726 -9.130 116 HE1 TYR 16 HE1 TYR 16 4.930 -0.725 -14.005 117 HE2 TYR 16 HE2 TYR 16 4.494 -2.842 -10.349 118 HH TYR 16 HH TYR 16 3.871 -3.092 -13.413 119 H VAL 17 HN VAL 17 1.944 2.309 -9.063 120 HA VAL 17 HA VAL 17 0.236 0.417 -10.305 121 HB VAL 17 HB VAL 17 -0.834 2.513 -8.355 122 1HG1 VAL 17 HG1 VAL 17 -2.386 0.720 -7.724 123 2HG1 VAL 17 HG1 VAL 17 -1.636 -0.360 -8.933 124 3HG1 VAL 17 HG1 VAL 17 -2.539 1.096 -9.461 125 1HG2 VAL 17 HG2 VAL 17 0.474 -0.162 -7.844 126 2HG2 VAL 17 HG2 VAL 17 -0.276 0.901 -6.595 127 3HG2 VAL 17 HG2 VAL 17 1.167 1.445 -7.475 128 H GLN 18 HN GLN 18 0.150 3.992 -10.723 129 HA GLN 18 HA GLN 18 -2.378 4.074 -11.915 130 1HB GLN 18 HB2 GLN 18 -1.413 6.169 -12.797 131 2HB GLN 18 HB1 GLN 18 -1.355 6.087 -11.066 132 1HG GLN 18 HG2 GLN 18 1.073 5.621 -11.195 133 2HG GLN 18 HG1 GLN 18 1.013 5.508 -12.939 134 1HE2 GLN 18 HE2 GLN 18 0.672 7.791 -10.218 135 2HE2 GLN 18 HE2 GLN 18 0.927 9.171 -11.183 136 H GLY 19 HN GLY 19 0.667 2.963 -13.115 137 1HA GLY 19 HA2 GLY 19 0.737 1.608 -15.129 138 2HA GLY 19 HA1 GLY 19 -0.581 2.552 -15.810 139 H GLY 20 HN GLY 20 2.354 3.677 -14.205 140 1HA GLY 20 HA2 GLY 20 3.387 4.746 -16.800 141 2HA GLY 20 HA1 GLY 20 3.168 5.835 -15.423 142 HA PRO 21 HA PRO 21 7.391 3.967 -15.148 143 1HB PRO 21 HB2 PRO 21 8.855 6.247 -15.001 144 2HB PRO 21 HB1 PRO 21 8.255 5.658 -16.557 145 1HG PRO 21 HG2 PRO 21 6.893 7.688 -14.682 146 2HG PRO 21 HG1 PRO 21 7.332 7.944 -16.376 147 1HD PRO 21 HD2 PRO 21 4.827 7.138 -15.728 148 2HD PRO 21 HD1 PRO 21 5.611 6.401 -17.148 149 H GLY 22 HN GLY 22 8.240 3.426 -13.097 150 1HA GLY 22 HA2 GLY 22 8.597 4.937 -10.864 151 2HA GLY 22 HA1 GLY 22 6.873 4.542 -10.809 152 HA PRO 23 HA PRO 23 6.318 3.927 -8.963 153 1HB PRO 23 HB2 PRO 23 6.751 3.204 -6.423 154 2HB PRO 23 HB1 PRO 23 5.771 2.226 -7.518 155 1HG PRO 23 HG2 PRO 23 8.697 1.828 -6.664 156 2HG PRO 23 HG1 PRO 23 7.425 0.641 -6.818 157 1HD PRO 23 HD2 PRO 23 9.275 1.065 -8.855 158 2HD PRO 23 HD1 PRO 23 7.618 0.502 -9.150 159 H SER 24 HN SER 24 9.314 3.420 -7.161 160 HA SER 24 HA SER 24 10.700 5.818 -7.636 161 1HB SER 24 HB2 SER 24 10.027 7.169 -5.568 162 2HB SER 24 HB1 SER 24 8.678 7.049 -6.706 163 HG SER 24 HG SER 24 7.861 5.378 -5.590 164 H GLY 25 HN GLY 25 12.400 6.193 -6.104 165 1HA GLY 25 HA2 GLY 25 13.370 3.714 -4.944 166 2HA GLY 25 HA1 GLY 25 14.123 5.304 -4.737 167 H GLN 26 HN GLN 26 11.044 5.897 -3.945 168 HA GLN 26 HA GLN 26 11.643 5.414 -1.034 169 1HB GLN 26 HB2 GLN 26 10.986 7.790 -2.095 170 2HB GLN 26 HB1 GLN 26 9.361 7.155 -2.197 171 1HG GLN 26 HG2 GLN 26 9.230 6.922 0.246 172 2HG GLN 26 HG1 GLN 26 10.950 7.245 0.412 173 1HE2 GLN 26 HE2 GLN 26 8.298 8.810 1.243 174 2HE2 GLN 26 HE2 GLN 26 8.709 10.400 0.793 175 H CYS 27 HN CYS 27 9.623 4.294 -3.639 176 HA CYS 27 HA CYS 27 7.395 3.335 -2.133 177 1HB CYS 27 HB2 CYS 27 7.484 3.316 -4.561 178 2HB CYS 27 HB1 CYS 27 8.811 2.174 -4.547 179 H CYS 28 HN CYS 28 10.589 1.941 -2.656 180 HA CYS 28 HA CYS 28 9.872 -0.453 -1.090 181 1HB CYS 28 HB2 CYS 28 12.409 0.541 -2.403 182 2HB CYS 28 HB1 CYS 28 12.480 -0.795 -1.273 183 H ASP 29 HN ASP 29 12.363 2.045 -0.514 184 HA ASP 29 HA ASP 29 12.815 1.395 2.184 185 1HB ASP 29 HB2 ASP 29 13.974 3.358 0.623 186 2HB ASP 29 HB1 ASP 29 12.641 4.263 1.188 187 H GLY 30 HN GLY 30 10.573 3.691 0.821 188 1HA GLY 30 HA2 GLY 30 9.403 4.667 3.184 189 2HA GLY 30 HA1 GLY 30 8.607 4.642 1.626 190 H VAL 31 HN VAL 31 8.093 2.120 1.070 191 HA VAL 31 HA VAL 31 5.997 1.508 2.983 192 HB VAL 31 HB VAL 31 7.013 0.014 0.530 193 1HG1 VAL 31 HG1 VAL 31 4.783 -0.949 0.467 194 2HG1 VAL 31 HG1 VAL 31 4.369 -0.149 2.014 195 3HG1 VAL 31 HG1 VAL 31 5.668 -1.380 1.958 196 1HG2 VAL 31 HG2 VAL 31 6.273 2.331 0.051 197 2HG2 VAL 31 HG2 VAL 31 4.747 2.023 0.925 198 3HG2 VAL 31 HG2 VAL 31 5.124 1.122 -0.580 199 H LYS 32 HN LYS 32 9.186 0.057 2.325 200 HA LYS 32 HA LYS 32 8.940 -2.309 3.807 201 1HB LYS 32 HB2 LYS 32 10.860 -1.642 2.267 202 2HB LYS 32 HB1 LYS 32 11.342 -0.428 3.431 203 1HG LYS 32 HG2 LYS 32 11.718 -2.225 5.112 204 2HG LYS 32 HG1 LYS 32 11.349 -3.427 3.906 205 1HD LYS 32 HD2 LYS 32 13.635 -1.378 3.771 206 2HD LYS 32 HD1 LYS 32 13.829 -3.052 4.245 207 1HE LYS 32 HE2 LYS 32 12.939 -3.682 1.888 208 2HE LYS 32 HE1 LYS 32 13.109 -1.988 1.469 209 1HZ LYS 32 HZ1 LYS 32 15.271 -2.381 1.066 210 2HZ LYS 32 HZ2 LYS 32 15.074 -3.989 1.547 211 3HZ LYS 32 HZ3 LYS 32 15.522 -2.806 2.681 212 H ASN 33 HN ASN 33 9.892 0.978 4.680 213 HA ASN 33 HA ASN 33 10.332 0.507 7.455 214 1HB ASN 33 HB2 ASN 33 9.729 2.940 5.745 215 2HB ASN 33 HB1 ASN 33 9.722 3.104 7.494 216 1HD2 ASN 33 HD2 ASN 33 11.804 3.338 4.849 217 2HD2 ASN 33 HD2 ASN 33 13.258 3.078 5.647 218 H LEU 34 HN LEU 34 7.446 1.846 5.879 219 HA LEU 34 HA LEU 34 5.804 2.011 8.170 220 1HB LEU 34 HB2 LEU 34 5.231 2.819 5.855 221 2HB LEU 34 HB1 LEU 34 4.941 1.173 5.363 222 HG LEU 34 HG LEU 34 3.338 2.612 7.549 223 1HD1 LEU 34 HD1 LEU 34 1.548 2.601 5.864 224 2HD1 LEU 34 HD1 LEU 34 2.700 1.967 4.657 225 3HD1 LEU 34 HD1 LEU 34 2.960 3.587 5.370 226 1HD2 LEU 34 HD2 LEU 34 2.772 -0.035 6.187 227 2HD2 LEU 34 HD2 LEU 34 1.678 0.872 7.287 228 3HD2 LEU 34 HD2 LEU 34 3.173 0.211 7.930 229 H HIS 35 HN HIS 35 5.979 -0.685 5.871 230 HA HIS 35 HA HIS 35 4.290 -2.476 7.187 231 1HB HIS 35 HB2 HIS 35 5.526 -2.744 4.926 232 2HB HIS 35 HB1 HIS 35 6.904 -3.340 5.823 233 HD1 HIS 35 HD1 HIS 35 6.335 -5.692 4.524 234 HD2 HIS 35 HD2 HIS 35 3.524 -4.578 7.271 235 HE1 HIS 35 HE1 HIS 35 4.955 -7.679 4.950 236 H ASN 36 HN ASN 36 7.835 -2.297 7.567 237 HA ASN 36 HA ASN 36 8.008 -4.161 9.697 238 1HB ASN 36 HB2 ASN 36 9.832 -2.560 8.233 239 2HB ASN 36 HB1 ASN 36 9.938 -1.892 9.848 240 1HD2 ASN 36 HD2 ASN 36 10.317 -4.842 7.958 241 2HD2 ASN 36 HD2 ASN 36 11.236 -5.662 9.134 242 H GLN 37 HN GLN 37 7.421 -0.682 9.765 243 HA GLN 37 HA GLN 37 7.504 -0.367 12.600 244 1HB GLN 37 HB2 GLN 37 7.629 1.672 11.252 245 2HB GLN 37 HB1 GLN 37 6.222 1.217 10.307 246 1HG GLN 37 HG2 GLN 37 4.793 1.470 12.357 247 2HG GLN 37 HG1 GLN 37 6.199 2.067 13.230 248 1HE2 GLN 37 HE2 GLN 37 3.524 2.990 11.414 249 2HE2 GLN 37 HE2 GLN 37 4.022 4.571 11.015 250 H ALA 38 HN ALA 38 4.983 -1.238 10.382 251 HA ALA 38 HA ALA 38 2.808 -1.082 12.258 252 1HB ALA 38 HB1 ALA 38 2.523 -1.098 9.799 253 2HB ALA 38 HB2 ALA 38 1.535 -2.370 10.582 254 3HB ALA 38 HB3 ALA 38 3.081 -2.790 9.780 255 H ARG 39 HN ARG 39 3.097 -2.179 14.093 256 HA ARG 39 HA ARG 39 3.662 -5.118 14.013 257 1HB ARG 39 HB2 ARG 39 5.142 -3.598 15.245 258 2HB ARG 39 HB1 ARG 39 3.802 -3.085 16.226 259 1HG ARG 39 HG2 ARG 39 3.450 -5.443 17.018 260 2HG ARG 39 HG1 ARG 39 4.905 -5.909 16.158 261 1HD ARG 39 HD2 ARG 39 6.198 -4.235 17.536 262 2HD ARG 39 HD1 ARG 39 4.708 -3.793 18.367 263 HE ARG 39 HE ARG 39 4.552 -6.165 19.163 264 1HH1 ARG 39 HH1 ARG 39 6.768 -6.603 17.103 265 2HH1 ARG 39 HH1 ARG 39 8.128 -7.049 18.070 266 1HH2 ARG 39 HH2 ARG 39 6.368 -5.852 20.966 267 2HH2 ARG 39 HH2 ARG 39 7.859 -6.580 20.511 268 H SER 40 HN SER 40 1.279 -2.776 14.904 269 HA SER 40 HA SER 40 -0.410 -4.960 16.050 270 1HB SER 40 HB2 SER 40 -1.487 -2.901 17.327 271 2HB SER 40 HB1 SER 40 0.145 -3.379 17.814 272 HG SER 40 HG SER 40 -0.691 -1.153 16.470 273 H GLN 41 HN GLN 41 -2.829 -4.252 16.018 274 HA GLN 41 HA GLN 41 -3.588 -4.189 13.251 275 1HB GLN 41 HB2 GLN 41 -4.918 -5.247 15.184 276 2HB GLN 41 HB1 GLN 41 -5.377 -3.630 15.677 277 1HG GLN 41 HG2 GLN 41 -6.660 -3.238 13.727 278 2HG GLN 41 HG1 GLN 41 -5.982 -4.603 12.860 279 1HE2 GLN 41 HE2 GLN 41 -7.413 -6.409 12.846 280 2HE2 GLN 41 HE2 GLN 41 -8.521 -6.721 14.069 281 H SER 42 HN SER 42 -3.241 -1.654 15.645 282 HA SER 42 HA SER 42 -4.707 0.391 14.398 283 1HB SER 42 HB2 SER 42 -2.917 1.838 15.699 284 2HB SER 42 HB1 SER 42 -3.947 0.763 16.649 285 HG SER 42 HG SER 42 -1.443 0.727 16.770 286 H ASP 43 HN ASP 43 -1.464 -0.802 13.699 287 HA ASP 43 HA ASP 43 -1.068 1.385 11.715 288 1HB ASP 43 HB2 ASP 43 0.823 0.495 13.217 289 2HB ASP 43 HB1 ASP 43 0.795 -0.959 12.236 290 H ARG 44 HN ARG 44 -1.771 -2.009 11.873 291 HA ARG 44 HA ARG 44 -1.442 -2.468 9.018 292 1HB ARG 44 HB2 ARG 44 -2.823 -4.112 11.166 293 2HB ARG 44 HB1 ARG 44 -2.412 -4.635 9.539 294 1HG ARG 44 HG2 ARG 44 0.008 -4.308 9.949 295 2HG ARG 44 HG1 ARG 44 -0.291 -3.528 11.483 296 1HD ARG 44 HD2 ARG 44 0.440 -5.909 11.742 297 2HD ARG 44 HD1 ARG 44 -1.142 -5.622 12.460 298 HE ARG 44 HE ARG 44 -2.066 -6.373 10.186 299 1HH1 ARG 44 HH2 ARG 44 1.018 -6.790 9.842 300 2HH1 ARG 44 HH2 ARG 44 1.139 -8.491 9.612 301 1HH2 ARG 44 HH1 ARG 44 -2.328 -8.759 10.711 302 2HH2 ARG 44 HH1 ARG 44 -1.033 -9.720 10.191 303 H GLN 45 HN GLN 45 -4.161 -1.765 11.068 304 HA GLN 45 HA GLN 45 -6.157 -2.093 8.964 305 1HB GLN 45 HB2 GLN 45 -6.187 -2.461 11.581 306 2HB GLN 45 HB1 GLN 45 -6.465 -0.748 11.686 307 1HG GLN 45 HG2 GLN 45 -8.674 -1.055 10.548 308 2HG GLN 45 HG1 GLN 45 -8.319 -2.790 10.361 309 1HE2 GLN 45 HE2 GLN 45 -9.851 -3.774 12.191 310 2HE2 GLN 45 HE2 GLN 45 -9.595 -3.140 13.733 311 H SER 46 HN SER 46 -4.424 0.598 10.605 312 HA SER 46 HA SER 46 -5.853 2.722 9.288 313 1HB SER 46 HB2 SER 46 -3.021 2.572 10.376 314 2HB SER 46 HB1 SER 46 -3.685 4.046 9.690 315 HG SER 46 HG SER 46 -4.224 2.721 11.968 316 H ALA 47 HN ALA 47 -2.651 1.338 8.404 317 HA ALA 47 HA ALA 47 -2.532 2.787 5.980 318 1HB ALA 47 HB1 ALA 47 -1.405 0.032 6.685 319 2HB ALA 47 HB2 ALA 47 -0.569 1.575 7.046 320 3HB ALA 47 HB3 ALA 47 -0.796 1.047 5.350 321 H CYS 48 HN CYS 48 -4.138 -0.274 6.601 322 HA CYS 48 HA CYS 48 -4.525 -0.924 3.856 323 1HB CYS 48 HB2 CYS 48 -5.015 -2.287 6.017 324 2HB CYS 48 HB1 CYS 48 -6.509 -1.397 6.081 325 H ASN 49 HN ASN 49 -6.299 1.173 6.064 326 HA ASN 49 HA ASN 49 -8.447 1.795 4.270 327 1HB ASN 49 HB2 ASN 49 -7.264 3.278 6.651 328 2HB ASN 49 HB1 ASN 49 -8.700 3.851 5.826 329 1HD2 ASN 49 HD2 ASN 49 -7.712 1.633 8.167 330 2HD2 ASN 49 HD2 ASN 49 -9.245 0.890 8.183 331 H CYS 50 HN CYS 50 -5.280 3.242 4.610 332 HA CYS 50 HA CYS 50 -5.655 5.528 2.964 333 1HB CYS 50 HB2 CYS 50 -3.199 3.750 3.265 334 2HB CYS 50 HB1 CYS 50 -3.156 5.245 2.421 335 H LEU 51 HN LEU 51 -4.397 2.431 1.985 336 HA LEU 51 HA LEU 51 -4.408 2.796 -0.847 337 1HB LEU 51 HB2 LEU 51 -4.841 0.208 0.691 338 2HB LEU 51 HB1 LEU 51 -4.179 0.350 -0.913 339 HG LEU 51 HG LEU 51 -2.776 1.625 1.524 340 1HD1 LEU 51 HD1 LEU 51 -2.972 -0.768 1.869 341 2HD1 LEU 51 HD1 LEU 51 -1.283 -0.281 1.538 342 3HD1 LEU 51 HD1 LEU 51 -2.259 -1.061 0.256 343 1HD2 LEU 51 HD2 LEU 51 -1.875 0.872 -1.256 344 2HD2 LEU 51 HD2 LEU 51 -0.844 1.586 0.020 345 3HD2 LEU 51 HD2 LEU 51 -2.194 2.532 -0.659 346 H LYS 52 HN LYS 52 -6.896 1.464 1.310 347 HA LYS 52 HA LYS 52 -8.720 0.760 -0.756 348 1HB LYS 52 HB2 LYS 52 -8.610 0.002 1.690 349 2HB LYS 52 HB1 LYS 52 -9.362 1.514 2.141 350 1HG LYS 52 HG2 LYS 52 -11.417 0.977 1.086 351 2HG LYS 52 HG1 LYS 52 -10.671 -0.194 0.007 352 1HD LYS 52 HD2 LYS 52 -10.277 -1.775 1.836 353 2HD LYS 52 HD1 LYS 52 -10.846 -0.642 3.027 354 1HE LYS 52 HE2 LYS 52 -12.612 -1.651 0.725 355 2HE LYS 52 HE1 LYS 52 -12.518 -2.487 2.263 356 1HZ LYS 52 HZ1 LYS 52 -14.044 -0.161 1.624 357 2HZ LYS 52 HZ2 LYS 52 -12.923 0.197 2.847 358 3HZ LYS 52 HZ3 LYS 52 -14.023 -1.085 3.053 359 H GLY 53 HN GLY 53 -8.794 3.652 1.350 360 1HA GLY 53 HA2 GLY 53 -11.005 4.918 0.086 361 2HA GLY 53 HA1 GLY 53 -9.730 5.760 0.980 362 H ILE 54 HN ILE 54 -7.538 4.933 -0.618 363 HA ILE 54 HA ILE 54 -7.635 6.878 -2.709 364 HB ILE 54 HB ILE 54 -5.703 4.744 -1.733 365 1HG1 ILE 54 HG1 ILE 54 -5.472 7.794 -1.863 366 2HG1 ILE 54 HG1 ILE 54 -6.031 6.901 -0.474 367 1HG2 ILE 54 HG2 ILE 54 -5.361 4.770 -4.151 368 2HG2 ILE 54 HG2 ILE 54 -3.994 5.421 -3.207 369 3HG2 ILE 54 HG2 ILE 54 -5.109 6.537 -4.076 370 1HD1 ILE 54 HD1 ILE 54 -3.829 5.770 -0.251 371 2HD1 ILE 54 HD1 ILE 54 -3.659 7.542 -0.186 372 3HD1 ILE 54 HD1 ILE 54 -3.214 6.663 -1.674 373 H ALA 55 HN ALA 55 -7.132 3.376 -3.021 374 HA ALA 55 HA ALA 55 -7.315 3.138 -5.743 375 1HB ALA 55 HB1 ALA 55 -8.532 1.312 -3.622 376 2HB ALA 55 HB2 ALA 55 -6.831 1.277 -4.171 377 3HB ALA 55 HB3 ALA 55 -8.134 0.812 -5.300 378 H ARG 56 HN ARG 56 -9.927 3.464 -3.501 379 HA ARG 56 HA ARG 56 -12.083 2.929 -5.307 380 1HB ARG 56 HB2 ARG 56 -11.991 2.815 -2.789 381 2HB ARG 56 HB1 ARG 56 -11.947 4.570 -2.775 382 1HG ARG 56 HG2 ARG 56 -14.187 4.736 -3.642 383 2HG ARG 56 HG1 ARG 56 -14.229 3.039 -4.070 384 1HD ARG 56 HD2 ARG 56 -15.437 3.489 -1.874 385 2HD ARG 56 HD1 ARG 56 -14.094 2.372 -1.684 386 HE ARG 56 HE ARG 56 -12.707 4.336 -0.900 387 1HH1 ARG 56 HH1 ARG 56 -15.037 6.093 -1.825 388 2HH1 ARG 56 HH1 ARG 56 -15.738 6.651 -0.356 389 1HH2 ARG 56 HH2 ARG 56 -13.900 4.176 1.482 390 2HH2 ARG 56 HH2 ARG 56 -15.024 5.472 1.668 391 H GLY 57 HN GLY 57 -10.188 5.785 -4.848 392 1HA GLY 57 HA2 GLY 57 -12.164 7.417 -6.378 393 2HA GLY 57 HA1 GLY 57 -10.794 8.057 -5.464 394 H ILE 58 HN ILE 58 -10.262 5.241 -7.502 395 HA ILE 58 HA ILE 58 -8.974 7.049 -9.517 396 HB ILE 58 HB ILE 58 -7.988 4.279 -8.638 397 1HG1 ILE 58 HG1 ILE 58 -7.031 7.099 -7.854 398 2HG1 ILE 58 HG1 ILE 58 -7.735 5.912 -6.794 399 1HG2 ILE 58 HG2 ILE 58 -5.939 4.900 -9.877 400 2HG2 ILE 58 HG2 ILE 58 -6.691 6.457 -10.327 401 3HG2 ILE 58 HG2 ILE 58 -7.371 4.906 -10.930 402 1HD1 ILE 58 HD1 ILE 58 -5.303 6.007 -6.435 403 2HD1 ILE 58 HD1 ILE 58 -5.014 5.640 -8.160 404 3HD1 ILE 58 HD1 ILE 58 -5.758 4.411 -7.097 405 H HIS 59 HN HIS 59 -9.483 6.619 -11.609 406 HA HIS 59 HA HIS 59 -11.602 4.594 -12.077 407 1HB HIS 59 HB2 HIS 59 -11.643 7.084 -12.943 408 2HB HIS 59 HB1 HIS 59 -10.491 6.536 -14.150 409 HD1 HIS 59 HD1 HIS 59 -13.811 5.192 -12.903 410 HD2 HIS 59 HD2 HIS 59 -11.803 5.750 -16.418 411 HE1 HIS 59 HE1 HIS 59 -15.306 4.396 -14.696 412 H ASN 60 HN ASN 60 -8.261 5.228 -12.903 413 HA ASN 60 HA ASN 60 -8.176 2.713 -14.546 414 1HB ASN 60 HB2 ASN 60 -7.237 4.920 -15.543 415 2HB ASN 60 HB1 ASN 60 -5.960 4.803 -14.335 416 1HD2 ASN 60 HD2 ASN 60 -6.395 4.181 -17.491 417 2HD2 ASN 60 HD2 ASN 60 -5.396 2.816 -17.656 418 H LEU 61 HN LEU 61 -8.295 1.520 -12.491 419 HA LEU 61 HA LEU 61 -5.894 1.703 -10.762 420 1HB LEU 61 HB2 LEU 61 -8.450 1.074 -10.068 421 2HB LEU 61 HB1 LEU 61 -7.895 -0.538 -10.473 422 HG LEU 61 HG LEU 61 -5.794 0.092 -8.967 423 1HD1 LEU 61 HD1 LEU 61 -6.423 2.448 -8.787 424 2HD1 LEU 61 HD1 LEU 61 -6.384 1.669 -7.180 425 3HD1 LEU 61 HD1 LEU 61 -7.951 1.973 -7.977 426 1HD2 LEU 61 HD2 LEU 61 -8.500 -0.474 -7.748 427 2HD2 LEU 61 HD2 LEU 61 -6.904 -0.742 -6.983 428 3HD2 LEU 61 HD2 LEU 61 -7.356 -1.672 -8.436 429 H ASN 62 HN ASN 62 -4.132 0.366 -11.003 430 HA ASN 62 HA ASN 62 -4.420 -1.901 -12.927 431 1HB ASN 62 HB2 ASN 62 -2.906 0.116 -13.542 432 2HB ASN 62 HB1 ASN 62 -1.885 -0.450 -12.220 433 1HD2 ASN 62 HD2 ASN 62 -2.318 -0.842 -15.517 434 2HD2 ASN 62 HD2 ASN 62 -1.458 -2.315 -15.633 435 H GLU 63 HN GLU 63 -4.923 -3.492 -11.444 436 HA GLU 63 HA GLU 63 -3.617 -3.928 -8.953 437 1HB GLU 63 HB2 GLU 63 -5.111 -5.851 -10.801 438 2HB GLU 63 HB1 GLU 63 -4.675 -6.222 -9.141 439 1HG GLU 63 HG2 GLU 63 -5.962 -4.253 -8.325 440 2HG GLU 63 HG1 GLU 63 -6.430 -3.842 -9.964 441 H ASP 64 HN ASP 64 -2.838 -4.977 -12.206 442 HA ASP 64 HA ASP 64 -0.866 -6.931 -11.673 443 1HB ASP 64 HB2 ASP 64 -1.553 -6.451 -14.005 444 2HB ASP 64 HB1 ASP 64 -0.894 -4.829 -13.908 445 H ASN 65 HN ASN 65 -0.493 -3.431 -11.974 446 HA ASN 65 HA ASN 65 2.310 -3.439 -11.316 447 1HB ASN 65 HB2 ASN 65 0.201 -1.292 -11.273 448 2HB ASN 65 HB1 ASN 65 1.905 -0.918 -10.995 449 1HD2 ASN 65 HD2 ASN 65 0.066 -0.115 -13.300 450 2HD2 ASN 65 HD2 ASN 65 0.869 -0.701 -14.682 451 H ALA 66 HN ALA 66 -0.570 -2.584 -9.396 452 HA ALA 66 HA ALA 66 0.487 -1.960 -6.929 453 1HB ALA 66 HB1 ALA 66 -1.876 -3.723 -7.566 454 2HB ALA 66 HB2 ALA 66 -1.859 -1.925 -7.575 455 3HB ALA 66 HB3 ALA 66 -1.651 -2.816 -6.049 456 H ARG 67 HN ARG 67 -0.136 -5.191 -8.178 457 HA ARG 67 HA ARG 67 0.951 -6.570 -5.857 458 1HB ARG 67 HB2 ARG 67 -0.816 -7.224 -7.920 459 2HB ARG 67 HB1 ARG 67 0.622 -8.073 -8.427 460 1HG ARG 67 HG2 ARG 67 -0.493 -8.307 -5.600 461 2HG ARG 67 HG1 ARG 67 -1.024 -9.313 -6.926 462 1HD ARG 67 HD2 ARG 67 1.043 -10.448 -7.132 463 2HD ARG 67 HD1 ARG 67 1.959 -9.187 -6.325 464 HE ARG 67 HE ARG 67 0.995 -9.913 -4.175 465 1HH1 ARG 67 HH1 ARG 67 -1.261 -11.086 -5.814 466 2HH1 ARG 67 HH1 ARG 67 -1.172 -12.773 -5.461 467 1HH2 ARG 67 HH2 ARG 67 2.119 -12.263 -4.098 468 2HH2 ARG 67 HH2 ARG 67 0.965 -13.490 -4.422 469 H SER 68 HN SER 68 2.194 -5.323 -8.818 470 HA SER 68 HA SER 68 4.623 -6.988 -8.744 471 1HB SER 68 HB2 SER 68 3.725 -4.734 -10.560 472 2HB SER 68 HB1 SER 68 5.293 -5.556 -10.725 473 HG SER 68 HG SER 68 2.701 -6.515 -10.949 474 H ILE 69 HN ILE 69 3.735 -4.457 -6.935 475 HA ILE 69 HA ILE 69 6.272 -2.968 -6.838 476 HB ILE 69 HB ILE 69 3.783 -2.999 -5.007 477 1HG1 ILE 69 HG1 ILE 69 4.644 -0.736 -6.762 478 2HG1 ILE 69 HG1 ILE 69 3.653 -2.045 -7.378 479 1HG2 ILE 69 HG2 ILE 69 4.692 -0.963 -3.964 480 2HG2 ILE 69 HG2 ILE 69 6.190 -1.210 -4.923 481 3HG2 ILE 69 HG2 ILE 69 5.729 -2.385 -3.661 482 1HD1 ILE 69 HD1 ILE 69 2.968 -0.389 -4.897 483 2HD1 ILE 69 HD1 ILE 69 1.985 -1.688 -5.603 484 3HD1 ILE 69 HD1 ILE 69 2.285 -0.171 -6.529 485 HA PRO 70 HA PRO 70 6.867 -5.325 -2.696 486 1HB PRO 70 HB2 PRO 70 5.383 -7.661 -2.329 487 2HB PRO 70 HB1 PRO 70 4.969 -6.079 -1.642 488 1HG PRO 70 HG2 PRO 70 3.878 -7.412 -4.181 489 2HG PRO 70 HG1 PRO 70 3.025 -6.521 -2.938 490 1HD PRO 70 HD2 PRO 70 3.670 -5.270 -5.209 491 2HD PRO 70 HD1 PRO 70 3.763 -4.436 -3.647 492 HA PRO 71 HA PRO 71 8.239 -9.484 -4.704 493 1HB PRO 71 HB2 PRO 71 8.040 -9.639 -7.468 494 2HB PRO 71 HB1 PRO 71 6.821 -10.289 -6.376 495 1HG PRO 71 HG2 PRO 71 6.823 -7.545 -7.758 496 2HG PRO 71 HG1 PRO 71 5.531 -8.742 -7.668 497 1HD PRO 71 HD2 PRO 71 5.500 -6.715 -5.932 498 2HD PRO 71 HD1 PRO 71 5.117 -8.356 -5.374 499 H LYS 72 HN LYS 72 8.530 -6.947 -7.142 500 HA LYS 72 HA LYS 72 11.290 -7.275 -7.666 501 1HB LYS 72 HB2 LYS 72 11.284 -4.985 -8.484 502 2HB LYS 72 HB1 LYS 72 9.846 -5.821 -9.058 503 1HG LYS 72 HG2 LYS 72 8.466 -4.614 -7.388 504 2HG LYS 72 HG1 LYS 72 9.876 -3.917 -6.628 505 1HD LYS 72 HD2 LYS 72 9.196 -2.169 -7.970 506 2HD LYS 72 HD1 LYS 72 10.463 -2.915 -8.916 507 1HE LYS 72 HE2 LYS 72 8.298 -4.344 -9.840 508 2HE LYS 72 HE1 LYS 72 7.492 -2.852 -9.396 509 1HZ LYS 72 HZ1 LYS 72 9.900 -2.254 -10.806 510 2HZ LYS 72 HZ2 LYS 72 8.294 -1.873 -11.209 511 3HZ LYS 72 HZ3 LYS 72 8.945 -3.365 -11.678 512 H CYS 73 HN CYS 73 9.662 -5.440 -5.217 513 HA CYS 73 HA CYS 73 11.987 -4.075 -4.190 514 1HB CYS 73 HB2 CYS 73 9.530 -3.546 -4.021 515 2HB CYS 73 HB1 CYS 73 9.406 -4.793 -2.865 516 H GLY 74 HN GLY 74 10.179 -6.834 -2.807 517 1HA GLY 74 HA2 GLY 74 11.390 -8.803 -1.988 518 2HA GLY 74 HA1 GLY 74 12.748 -7.767 -1.585 519 H VAL 75 HN VAL 75 9.584 -6.621 -0.796 520 HA VAL 75 HA VAL 75 10.088 -7.315 2.051 521 HB VAL 75 HB VAL 75 8.760 -5.226 2.510 522 1HG1 VAL 75 HG1 VAL 75 11.095 -4.835 0.612 523 2HG1 VAL 75 HG1 VAL 75 11.199 -5.121 2.374 524 3HG1 VAL 75 HG1 VAL 75 10.467 -3.609 1.743 525 1HG2 VAL 75 HG2 VAL 75 7.416 -5.181 0.456 526 2HG2 VAL 75 HG2 VAL 75 8.893 -4.795 -0.484 527 3HG2 VAL 75 HG2 VAL 75 8.280 -3.641 0.728 528 H ASN 76 HN ASN 76 7.828 -7.495 -0.459 529 HA ASN 76 HA ASN 76 5.722 -8.571 -0.556 530 1HB ASN 76 HB2 ASN 76 7.270 -10.365 0.345 531 2HB ASN 76 HB1 ASN 76 6.624 -10.001 1.931 532 1HD2 ASN 76 HD2 ASN 76 4.502 -10.449 2.453 533 2HD2 ASN 76 HD2 ASN 76 3.462 -11.369 1.464 534 H LEU 77 HN LEU 77 4.339 -6.789 -0.048 535 HA LEU 77 HA LEU 77 3.750 -6.258 2.780 536 1HB LEU 77 HB2 LEU 77 3.287 -4.822 0.243 537 2HB LEU 77 HB1 LEU 77 1.782 -4.984 1.056 538 HG LEU 77 HG LEU 77 2.802 -4.107 3.139 539 1HD1 LEU 77 HD1 LEU 77 5.134 -4.635 2.699 540 2HD1 LEU 77 HD1 LEU 77 4.892 -2.897 3.038 541 3HD1 LEU 77 HD1 LEU 77 5.131 -3.456 1.355 542 1HD2 LEU 77 HD2 LEU 77 1.519 -2.615 1.719 543 2HD2 LEU 77 HD2 LEU 77 2.997 -2.218 0.781 544 3HD2 LEU 77 HD2 LEU 77 2.875 -1.771 2.508 545 HA PRO 78 HA PRO 78 0.250 -8.870 2.804 546 1HB PRO 78 HB2 PRO 78 -0.981 -8.148 5.069 547 2HB PRO 78 HB1 PRO 78 0.686 -8.719 5.131 548 1HG PRO 78 HG2 PRO 78 -0.331 -5.856 5.265 549 2HG PRO 78 HG1 PRO 78 0.999 -6.576 6.159 550 1HD PRO 78 HD2 PRO 78 1.196 -5.089 3.749 551 2HD PRO 78 HD1 PRO 78 2.516 -6.052 4.440 552 H TYR 79 HN TYR 79 0.098 -5.845 1.679 553 HA TYR 79 HA TYR 79 -2.513 -6.170 0.517 554 1HB TYR 79 HB2 TYR 79 -3.440 -3.959 1.649 555 2HB TYR 79 HB1 TYR 79 -3.475 -5.457 2.545 556 HD1 TYR 79 HD1 TYR 79 -0.763 -2.784 2.154 557 HD2 TYR 79 HD2 TYR 79 -3.183 -5.124 4.764 558 HE1 TYR 79 HE1 TYR 79 0.353 -1.790 4.117 559 HE2 TYR 79 HE2 TYR 79 -2.079 -4.117 6.697 560 HH TYR 79 HH TYR 79 -0.702 -1.627 7.027 561 H THR 80 HN THR 80 -3.079 -4.392 -0.964 562 HA THR 80 HA THR 80 -0.929 -2.444 -1.488 563 HB THR 80 HB THR 80 -0.350 -4.553 -2.822 564 HG1 THR 80 HG1 THR 80 0.211 -3.320 -4.364 565 1HG2 THR 80 HG2 THR 80 -2.697 -5.399 -3.142 566 2HG2 THR 80 HG2 THR 80 -1.767 -5.276 -4.660 567 3HG2 THR 80 HG2 THR 80 -2.990 -4.036 -4.268 568 H ILE 81 HN ILE 81 -2.086 -1.821 -4.054 569 HA ILE 81 HA ILE 81 -4.340 -0.127 -3.140 570 HB ILE 81 HB ILE 81 -2.808 -0.279 -5.805 571 1HG1 ILE 81 HG1 ILE 81 -1.854 1.983 -5.108 572 2HG1 ILE 81 HG1 ILE 81 -2.664 1.808 -3.569 573 1HG2 ILE 81 HG2 ILE 81 -4.808 1.800 -4.919 574 2HG2 ILE 81 HG2 ILE 81 -5.013 0.574 -6.211 575 3HG2 ILE 81 HG2 ILE 81 -3.794 1.859 -6.398 576 1HD1 ILE 81 HD1 ILE 81 -1.235 -0.142 -2.992 577 2HD1 ILE 81 HD1 ILE 81 -0.243 1.257 -3.462 578 3HD1 ILE 81 HD1 ILE 81 -0.508 -0.083 -4.621 579 H SER 82 HN SER 82 -5.810 -2.041 -2.782 580 HA SER 82 HA SER 82 -7.425 -2.542 -5.139 581 1HB SER 82 HB2 SER 82 -5.989 -4.720 -3.562 582 2HB SER 82 HB1 SER 82 -7.258 -4.997 -4.734 583 HG SER 82 HG SER 82 -5.474 -3.400 -5.917 584 H LEU 83 HN LEU 83 -9.374 -3.986 -4.416 585 HA LEU 83 HA LEU 83 -10.156 -3.194 -1.628 586 1HB LEU 83 HB2 LEU 83 -11.859 -3.370 -4.167 587 2HB LEU 83 HB1 LEU 83 -12.557 -3.290 -2.578 588 HG LEU 83 HG LEU 83 -11.148 -1.120 -2.271 589 1HD1 LEU 83 HD1 LEU 83 -11.136 -1.294 -5.288 590 2HD1 LEU 83 HD1 LEU 83 -9.716 -1.290 -4.194 591 3HD1 LEU 83 HD1 LEU 83 -10.736 0.161 -4.321 592 1HD2 LEU 83 HD2 LEU 83 -13.594 -1.164 -2.470 593 2HD2 LEU 83 HD2 LEU 83 -13.441 -1.151 -4.252 594 3HD2 LEU 83 HD2 LEU 83 -12.906 0.264 -3.303 595 H ASN 84 HN ASN 84 -8.810 -5.562 -2.038 596 HA ASN 84 HA ASN 84 -10.936 -7.638 -1.780 597 1HB ASN 84 HB2 ASN 84 -8.022 -7.895 -2.678 598 2HB ASN 84 HB1 ASN 84 -9.156 -9.201 -2.490 599 1HD2 ASN 84 HD2 ASN 84 -7.791 -7.638 -5.005 600 2HD2 ASN 84 HD2 ASN 84 -9.125 -7.535 -6.041 601 H ILE 85 HN ILE 85 -8.146 -6.182 -0.268 602 HA ILE 85 HA ILE 85 -7.706 -8.210 1.698 603 HB ILE 85 HB ILE 85 -7.185 -5.258 2.252 604 1HG1 ILE 85 HG1 ILE 85 -4.827 -6.201 0.988 605 2HG1 ILE 85 HG1 ILE 85 -6.084 -6.815 -0.053 606 1HG2 ILE 85 HG2 ILE 85 -5.605 -7.780 2.765 607 2HG2 ILE 85 HG2 ILE 85 -6.609 -6.909 3.974 608 3HG2 ILE 85 HG2 ILE 85 -5.173 -6.123 3.299 609 1HD1 ILE 85 HD1 ILE 85 -5.796 -3.894 0.856 610 2HD1 ILE 85 HD1 ILE 85 -7.067 -4.498 -0.250 611 3HD1 ILE 85 HD1 ILE 85 -5.359 -4.537 -0.756 612 H ASP 86 HN ASP 86 -8.181 -7.998 4.015 613 HA ASP 86 HA ASP 86 -10.975 -7.091 4.433 614 1HB ASP 86 HB2 ASP 86 -10.233 -9.410 5.186 615 2HB ASP 86 HB1 ASP 86 -9.143 -8.651 6.329 616 H CYS 87 HN CYS 87 -7.739 -6.495 5.599 617 HA CYS 87 HA CYS 87 -6.795 -4.604 6.645 618 1HB CYS 87 HB2 CYS 87 -9.600 -3.357 6.765 619 2HB CYS 87 HB1 CYS 87 -8.083 -2.590 7.075 620 H SER 88 HN SER 88 -10.061 -5.222 7.966 621 HA SER 88 HA SER 88 -9.079 -4.752 10.684 622 1HB SER 88 HB2 SER 88 -11.552 -4.399 9.972 623 2HB SER 88 HB1 SER 88 -11.696 -6.170 9.963 624 HG SER 88 HG SER 88 -11.410 -6.190 12.082 625 H ARG 89 HN ARG 89 -9.497 -7.527 8.600 626 HA ARG 89 HA ARG 89 -8.460 -9.193 10.861 627 1HB ARG 89 HB2 ARG 89 -10.853 -9.675 9.820 628 2HB ARG 89 HB1 ARG 89 -9.947 -10.434 8.543 629 1HG ARG 89 HG2 ARG 89 -9.762 -11.114 11.532 630 2HG ARG 89 HG1 ARG 89 -10.543 -12.086 10.312 631 1HD ARG 89 HD2 ARG 89 -8.461 -13.216 10.677 632 2HD ARG 89 HD1 ARG 89 -8.220 -12.368 9.181 633 HE ARG 89 HE ARG 89 -7.018 -10.572 10.749 634 1HH1 ARG 89 HH2 ARG 89 -7.583 -12.784 12.731 635 2HH1 ARG 89 HH2 ARG 89 -6.015 -13.471 13.036 636 1HH2 ARG 89 HH1 ARG 89 -4.773 -11.605 10.183 637 2HH2 ARG 89 HH1 ARG 89 -4.267 -12.693 11.402 638 H VAL 90 HN VAL 90 -6.507 -8.041 9.728 639 HA VAL 90 HA VAL 90 -5.467 -9.843 7.558 640 HB VAL 90 HB VAL 90 -3.761 -8.022 7.153 641 1HG1 VAL 90 HG1 VAL 90 -5.333 -6.408 6.155 642 2HG1 VAL 90 HG1 VAL 90 -6.636 -7.112 7.172 643 3HG1 VAL 90 HG1 VAL 90 -5.849 -8.105 5.915 644 1HG2 VAL 90 HG2 VAL 90 -3.718 -7.031 9.389 645 2HG2 VAL 90 HG2 VAL 90 -5.393 -6.453 9.167 646 3HG2 VAL 90 HG2 VAL 90 -4.082 -5.795 8.143 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 -3.766 5.098 15.523 2 2H ILE 1 HT2 ILE 1 -3.841 3.730 14.498 3 3H ILE 1 HT3 ILE 1 -4.850 5.032 14.204 4 HA ILE 1 HA ILE 1 -2.252 6.021 14.199 5 HB ILE 1 HB ILE 1 -2.621 3.610 12.340 6 1HG1 ILE 1 HG1 ILE 1 -0.414 2.825 13.353 7 2HG1 ILE 1 HG1 ILE 1 -0.644 3.956 14.654 8 1HG2 ILE 1 HG2 ILE 1 -1.529 5.467 11.236 9 2HG2 ILE 1 HG2 ILE 1 -0.389 4.135 11.527 10 3HG2 ILE 1 HG2 ILE 1 -0.345 5.575 12.586 11 1HD1 ILE 1 HD1 ILE 1 -1.305 1.631 15.179 12 2HD1 ILE 1 HD1 ILE 1 -2.558 1.697 13.909 13 3HD1 ILE 1 HD1 ILE 1 -2.696 2.720 15.383 14 H ASP 2 HN ASP 2 -3.399 7.857 13.505 15 HA ASP 2 HA ASP 2 -5.422 7.840 11.501 16 1HB ASP 2 HB2 ASP 2 -5.112 9.703 13.102 17 2HB ASP 2 HB1 ASP 2 -3.526 10.044 12.418 18 H CYS 3 HN CYS 3 -5.312 8.099 9.244 19 HA CYS 3 HA CYS 3 -2.707 7.383 8.094 20 1HB CYS 3 HB2 CYS 3 -4.913 6.496 7.144 21 2HB CYS 3 HB1 CYS 3 -5.179 8.113 6.491 22 H GLY 4 HN GLY 4 -1.898 9.428 9.088 23 1HA GLY 4 HA2 GLY 4 -2.293 11.811 7.314 24 2HA GLY 4 HA1 GLY 4 -1.549 11.860 8.914 25 H HIS 5 HN HIS 5 0.309 9.899 8.771 26 HA HIS 5 HA HIS 5 2.280 11.009 6.848 27 1HB HIS 5 HB2 HIS 5 2.959 10.635 9.251 28 2HB HIS 5 HB1 HIS 5 2.674 8.908 9.045 29 HD1 HIS 5 HD1 HIS 5 5.332 8.820 9.601 30 HD2 HIS 5 HD2 HIS 5 4.414 10.393 5.942 31 HE1 HIS 5 HE1 HIS 5 7.407 8.760 8.269 32 H VAL 6 HN VAL 6 0.525 8.037 7.469 33 HA VAL 6 HA VAL 6 1.929 6.235 5.833 34 HB VAL 6 HB VAL 6 -1.073 6.444 6.177 35 1HG1 VAL 6 HG1 VAL 6 0.741 4.245 5.207 36 2HG1 VAL 6 HG1 VAL 6 -0.576 5.075 4.332 37 3HG1 VAL 6 HG1 VAL 6 -0.959 3.995 5.694 38 1HG2 VAL 6 HG2 VAL 6 0.021 6.299 8.363 39 2HG2 VAL 6 HG2 VAL 6 0.947 4.879 7.796 40 3HG2 VAL 6 HG2 VAL 6 -0.841 4.799 7.941 41 H ASP 7 HN ASP 7 -0.441 8.678 4.934 42 HA ASP 7 HA ASP 7 -0.966 7.943 2.284 43 1HB ASP 7 HB2 ASP 7 -0.993 10.551 3.764 44 2HB ASP 7 HB1 ASP 7 -0.842 10.719 2.035 45 H SER 8 HN SER 8 1.514 10.223 3.275 46 HA SER 8 HA SER 8 2.817 10.464 0.743 47 1HB SER 8 HB2 SER 8 3.155 12.021 2.745 48 2HB SER 8 HB1 SER 8 4.138 10.752 3.492 49 HG SER 8 HG SER 8 4.866 12.503 1.559 50 H LEU 9 HN LEU 9 3.095 7.881 3.205 51 HA LEU 9 HA LEU 9 5.529 6.868 2.146 52 1HB LEU 9 HB2 LEU 9 3.343 5.882 4.008 53 2HB LEU 9 HB1 LEU 9 4.772 4.997 3.670 54 HG LEU 9 HG LEU 9 4.728 7.823 4.876 55 1HD1 LEU 9 HD1 LEU 9 5.376 5.165 6.183 56 2HD1 LEU 9 HD1 LEU 9 3.867 6.107 6.430 57 3HD1 LEU 9 HD1 LEU 9 5.427 6.773 6.962 58 1HD2 LEU 9 HD2 LEU 9 7.042 5.881 4.617 59 2HD2 LEU 9 HD2 LEU 9 7.068 7.477 5.421 60 3HD2 LEU 9 HD2 LEU 9 6.825 7.387 3.660 61 H VAL 10 HN VAL 10 2.127 6.193 1.612 62 HA VAL 10 HA VAL 10 2.855 4.018 -0.303 63 HB VAL 10 HB VAL 10 0.457 3.606 -0.397 64 1HG1 VAL 10 HG1 VAL 10 1.828 2.536 1.321 65 2HG1 VAL 10 HG1 VAL 10 0.210 2.901 1.987 66 3HG1 VAL 10 HG1 VAL 10 1.597 3.948 2.402 67 1HG2 VAL 10 HG2 VAL 10 -0.392 5.860 -0.113 68 2HG2 VAL 10 HG2 VAL 10 0.178 5.887 1.583 69 3HG2 VAL 10 HG2 VAL 10 -1.097 4.742 1.096 70 H ARG 11 HN ARG 11 2.391 7.294 -0.463 71 HA ARG 11 HA ARG 11 0.975 7.529 -2.942 72 1HB ARG 11 HB2 ARG 11 2.004 9.315 -0.984 73 2HB ARG 11 HB1 ARG 11 2.921 9.698 -2.416 74 1HG ARG 11 HG2 ARG 11 0.957 11.114 -2.352 75 2HG ARG 11 HG1 ARG 11 0.773 9.990 -3.690 76 1HD ARG 11 HD2 ARG 11 -0.752 8.573 -2.314 77 2HD ARG 11 HD1 ARG 11 -0.400 9.540 -0.896 78 HE ARG 11 HE ARG 11 -1.871 10.599 -3.315 79 1HH1 ARG 11 HH2 ARG 11 -2.834 9.473 -0.654 80 2HH1 ARG 11 HH2 ARG 11 -3.267 10.847 0.267 81 1HH2 ARG 11 HH1 ARG 11 -1.648 12.932 -2.183 82 2HH2 ARG 11 HH1 ARG 11 -2.630 13.038 -0.765 83 HA PRO 12 HA PRO 12 5.268 7.874 -5.031 84 1HB PRO 12 HB2 PRO 12 7.320 6.337 -4.055 85 2HB PRO 12 HB1 PRO 12 7.043 7.990 -3.503 86 1HG PRO 12 HG2 PRO 12 6.061 5.380 -2.209 87 2HG PRO 12 HG1 PRO 12 6.915 6.721 -1.448 88 1HD PRO 12 HD2 PRO 12 4.271 6.603 -1.263 89 2HD PRO 12 HD1 PRO 12 5.012 8.189 -1.551 90 H CYS 13 HN CYS 13 4.092 4.706 -3.681 91 HA CYS 13 HA CYS 13 5.049 3.443 -6.135 92 1HB CYS 13 HB2 CYS 13 4.138 2.642 -3.469 93 2HB CYS 13 HB1 CYS 13 3.320 1.778 -4.654 94 H LEU 14 HN LEU 14 2.360 5.239 -5.338 95 HA LEU 14 HA LEU 14 0.300 3.857 -6.818 96 1HB LEU 14 HB2 LEU 14 0.600 6.280 -5.264 97 2HB LEU 14 HB1 LEU 14 0.010 6.783 -6.821 98 HG LEU 14 HG LEU 14 -1.913 5.107 -6.523 99 1HD1 LEU 14 HD1 LEU 14 -0.785 3.767 -4.747 100 2HD1 LEU 14 HD1 LEU 14 -2.384 4.375 -4.227 101 3HD1 LEU 14 HD1 LEU 14 -0.884 5.176 -3.660 102 1HD2 LEU 14 HD2 LEU 14 -2.077 7.527 -6.210 103 2HD2 LEU 14 HD2 LEU 14 -1.531 7.342 -4.515 104 3HD2 LEU 14 HD2 LEU 14 -3.106 6.668 -5.042 105 H SER 15 HN SER 15 2.792 6.180 -7.692 106 HA SER 15 HA SER 15 1.873 6.951 -10.223 107 1HB SER 15 HB2 SER 15 4.758 6.539 -9.311 108 2HB SER 15 HB1 SER 15 4.203 7.563 -10.660 109 HG SER 15 HG SER 15 3.499 8.974 -9.210 110 H TYR 16 HN TYR 16 3.149 3.922 -9.251 111 HA TYR 16 HA TYR 16 3.694 3.065 -12.041 112 1HB TYR 16 HB2 TYR 16 5.206 2.327 -10.284 113 2HB TYR 16 HB1 TYR 16 3.901 1.629 -9.363 114 HD1 TYR 16 HD1 TYR 16 4.705 -0.585 -9.304 115 HD2 TYR 16 HD2 TYR 16 4.218 1.283 -13.100 116 HE1 TYR 16 HE1 TYR 16 4.940 -2.754 -10.407 117 HE2 TYR 16 HE2 TYR 16 4.449 -0.872 -14.187 118 HH TYR 16 HH TYR 16 3.972 -3.200 -13.535 119 H VAL 17 HN VAL 17 1.648 2.284 -9.363 120 HA VAL 17 HA VAL 17 0.050 0.244 -10.479 121 HB VAL 17 HB VAL 17 -1.059 2.393 -8.641 122 1HG1 VAL 17 HG1 VAL 17 -2.722 0.885 -9.567 123 2HG1 VAL 17 HG1 VAL 17 -2.455 0.498 -7.840 124 3HG1 VAL 17 HG1 VAL 17 -1.717 -0.518 -9.121 125 1HG2 VAL 17 HG2 VAL 17 -0.297 0.873 -6.807 126 2HG2 VAL 17 HG2 VAL 17 1.020 1.597 -7.734 127 3HG2 VAL 17 HG2 VAL 17 0.549 -0.103 -8.063 128 H GLN 18 HN GLN 18 -0.281 3.777 -11.016 129 HA GLN 18 HA GLN 18 -2.764 3.681 -12.322 130 1HB GLN 18 HB2 GLN 18 -1.881 5.846 -13.160 131 2HB GLN 18 HB1 GLN 18 -1.904 5.777 -11.415 132 1HG GLN 18 HG2 GLN 18 0.514 5.349 -11.441 133 2HG GLN 18 HG1 GLN 18 0.573 5.263 -13.187 134 1HE2 GLN 18 HE2 GLN 18 -1.533 7.728 -12.566 135 2HE2 GLN 18 HE2 GLN 18 -0.419 9.014 -12.533 136 H GLY 19 HN GLY 19 0.380 2.719 -13.352 137 1HA GLY 19 HA2 GLY 19 0.655 1.404 -15.363 138 2HA GLY 19 HA1 GLY 19 -0.640 2.291 -16.140 139 H GLY 20 HN GLY 20 2.199 3.385 -14.289 140 1HA GLY 20 HA2 GLY 20 3.310 4.681 -16.750 141 2HA GLY 20 HA1 GLY 20 3.106 5.605 -15.253 142 HA PRO 21 HA PRO 21 7.246 3.492 -15.210 143 1HB PRO 21 HB2 PRO 21 8.861 5.678 -15.076 144 2HB PRO 21 HB1 PRO 21 8.203 5.135 -16.625 145 1HG PRO 21 HG2 PRO 21 7.015 7.247 -14.728 146 2HG PRO 21 HG1 PRO 21 7.437 7.467 -16.432 147 1HD PRO 21 HD2 PRO 21 4.887 6.831 -15.743 148 2HD PRO 21 HD1 PRO 21 5.606 6.041 -17.166 149 H GLY 22 HN GLY 22 8.309 2.996 -13.199 150 1HA GLY 22 HA2 GLY 22 8.751 4.385 -10.981 151 2HA GLY 22 HA1 GLY 22 7.010 4.123 -10.860 152 HA PRO 23 HA PRO 23 6.362 3.494 -8.975 153 1HB PRO 23 HB2 PRO 23 7.050 2.717 -6.434 154 2HB PRO 23 HB1 PRO 23 5.839 1.874 -7.404 155 1HG PRO 23 HG2 PRO 23 8.822 1.163 -7.091 156 2HG PRO 23 HG1 PRO 23 7.409 0.123 -6.918 157 1HD PRO 23 HD2 PRO 23 8.651 0.148 -9.330 158 2HD PRO 23 HD1 PRO 23 6.886 0.196 -9.243 159 H SER 24 HN SER 24 9.349 2.917 -7.220 160 HA SER 24 HA SER 24 10.797 5.273 -7.964 161 1HB SER 24 HB2 SER 24 10.331 6.660 -5.868 162 2HB SER 24 HB1 SER 24 8.874 6.498 -6.861 163 HG SER 24 HG SER 24 8.191 4.858 -5.629 164 H GLY 25 HN GLY 25 12.635 5.677 -6.536 165 1HA GLY 25 HA2 GLY 25 13.521 3.119 -5.316 166 2HA GLY 25 HA1 GLY 25 14.531 4.553 -5.583 167 H GLN 26 HN GLN 26 11.556 5.499 -4.354 168 HA GLN 26 HA GLN 26 12.706 5.703 -1.556 169 1HB GLN 26 HB2 GLN 26 10.422 7.363 -2.784 170 2HB GLN 26 HB1 GLN 26 11.209 7.631 -1.245 171 1HG GLN 26 HG2 GLN 26 13.385 8.094 -2.423 172 2HG GLN 26 HG1 GLN 26 12.561 7.915 -3.966 173 1HE2 GLN 26 HE2 GLN 26 13.395 10.198 -1.605 174 2HE2 GLN 26 HE2 GLN 26 12.315 11.422 -2.078 175 H CYS 27 HN CYS 27 10.013 4.543 -3.485 176 HA CYS 27 HA CYS 27 8.119 4.101 -1.479 177 1HB CYS 27 HB2 CYS 27 7.648 3.683 -3.879 178 2HB CYS 27 HB1 CYS 27 8.791 2.385 -3.923 179 H CYS 28 HN CYS 28 10.574 1.705 -2.558 180 HA CYS 28 HA CYS 28 9.888 -0.177 -0.582 181 1HB CYS 28 HB2 CYS 28 12.483 0.362 -2.064 182 2HB CYS 28 HB1 CYS 28 12.283 -1.005 -0.980 183 H ASP 29 HN ASP 29 11.446 2.786 -0.062 184 HA ASP 29 HA ASP 29 12.639 1.884 2.488 185 1HB ASP 29 HB2 ASP 29 13.859 3.613 0.923 186 2HB ASP 29 HB1 ASP 29 12.527 4.691 1.254 187 H GLY 30 HN GLY 30 10.294 4.224 1.303 188 1HA GLY 30 HA2 GLY 30 9.273 4.950 3.904 189 2HA GLY 30 HA1 GLY 30 8.485 5.280 2.363 190 H VAL 31 HN VAL 31 8.256 2.562 1.539 191 HA VAL 31 HA VAL 31 5.851 1.815 2.960 192 HB VAL 31 HB VAL 31 7.379 0.736 0.528 193 1HG1 VAL 31 HG1 VAL 31 5.471 -0.575 -0.111 194 2HG1 VAL 31 HG1 VAL 31 4.687 -0.230 1.460 195 3HG1 VAL 31 HG1 VAL 31 6.209 -1.168 1.406 196 1HG2 VAL 31 HG2 VAL 31 6.331 2.909 0.277 197 2HG2 VAL 31 HG2 VAL 31 4.774 2.257 0.865 198 3HG2 VAL 31 HG2 VAL 31 5.463 1.681 -0.684 199 H LYS 32 HN LYS 32 9.124 0.322 2.514 200 HA LYS 32 HA LYS 32 8.602 -2.013 4.012 201 1HB LYS 32 HB2 LYS 32 10.627 -1.615 2.653 202 2HB LYS 32 HB1 LYS 32 11.090 -0.296 3.704 203 1HG LYS 32 HG2 LYS 32 11.389 -1.863 5.565 204 2HG LYS 32 HG1 LYS 32 10.916 -3.207 4.534 205 1HD LYS 32 HD2 LYS 32 12.783 -2.658 2.978 206 2HD LYS 32 HD1 LYS 32 13.216 -1.268 3.959 207 1HE LYS 32 HE2 LYS 32 13.671 -2.817 5.895 208 2HE LYS 32 HE1 LYS 32 13.365 -4.189 4.834 209 1HZ LYS 32 HZ1 LYS 32 15.181 -2.476 3.554 210 2HZ LYS 32 HZ2 LYS 32 15.457 -4.051 4.112 211 3HZ LYS 32 HZ3 LYS 32 15.739 -2.718 5.125 212 H ASN 33 HN ASN 33 9.726 1.184 4.964 213 HA ASN 33 HA ASN 33 10.093 0.732 7.712 214 1HB ASN 33 HB2 ASN 33 9.456 3.177 6.010 215 2HB ASN 33 HB1 ASN 33 9.071 3.342 7.702 216 1HD2 ASN 33 HD2 ASN 33 11.622 3.508 5.469 217 2HD2 ASN 33 HD2 ASN 33 12.876 3.636 6.616 218 H LEU 34 HN LEU 34 7.161 2.054 6.220 219 HA LEU 34 HA LEU 34 5.540 2.066 8.531 220 1HB LEU 34 HB2 LEU 34 4.907 3.033 6.395 221 2HB LEU 34 HB1 LEU 34 4.798 1.457 5.646 222 HG LEU 34 HG LEU 34 3.062 2.098 8.086 223 1HD1 LEU 34 HD1 LEU 34 1.354 2.865 6.564 224 2HD1 LEU 34 HD1 LEU 34 2.486 2.747 5.178 225 3HD1 LEU 34 HD1 LEU 34 2.782 3.925 6.498 226 1HD2 LEU 34 HD2 LEU 34 3.036 -0.248 7.245 227 2HD2 LEU 34 HD2 LEU 34 2.645 0.381 5.615 228 3HD2 LEU 34 HD2 LEU 34 1.486 0.564 6.972 229 H HIS 35 HN HIS 35 5.731 -0.491 6.102 230 HA HIS 35 HA HIS 35 4.127 -2.440 7.267 231 1HB HIS 35 HB2 HIS 35 5.066 -2.442 5.080 232 2HB HIS 35 HB1 HIS 35 6.690 -2.625 5.603 233 HD1 HIS 35 HD1 HIS 35 7.243 -5.048 6.563 234 HD2 HIS 35 HD2 HIS 35 3.547 -4.729 4.895 235 HE1 HIS 35 HE1 HIS 35 6.433 -7.372 6.220 236 H ASN 36 HN ASN 36 7.572 -2.020 7.714 237 HA ASN 36 HA ASN 36 8.013 -3.999 9.739 238 1HB ASN 36 HB2 ASN 36 9.849 -2.661 8.357 239 2HB ASN 36 HB1 ASN 36 9.550 -1.392 9.501 240 1HD2 ASN 36 HD2 ASN 36 11.076 -1.394 11.148 241 2HD2 ASN 36 HD2 ASN 36 11.760 -2.801 11.821 242 H GLN 37 HN GLN 37 7.240 -0.596 9.958 243 HA GLN 37 HA GLN 37 7.460 -0.293 12.779 244 1HB GLN 37 HB2 GLN 37 7.388 1.796 11.715 245 2HB GLN 37 HB1 GLN 37 6.334 1.232 10.444 246 1HG GLN 37 HG2 GLN 37 4.355 1.468 11.854 247 2HG GLN 37 HG1 GLN 37 5.343 1.883 13.247 248 1HE2 GLN 37 HE2 GLN 37 5.144 4.108 13.572 249 2HE2 GLN 37 HE2 GLN 37 5.152 5.268 12.323 250 H ALA 38 HN ALA 38 4.815 -1.212 10.709 251 HA ALA 38 HA ALA 38 2.801 -1.314 12.759 252 1HB ALA 38 HB1 ALA 38 2.268 -1.132 10.394 253 2HB ALA 38 HB2 ALA 38 1.554 -2.642 11.037 254 3HB ALA 38 HB3 ALA 38 3.062 -2.716 10.091 255 H ARG 39 HN ARG 39 3.493 -2.459 14.545 256 HA ARG 39 HA ARG 39 3.936 -5.409 14.125 257 1HB ARG 39 HB2 ARG 39 4.685 -3.752 16.579 258 2HB ARG 39 HB1 ARG 39 5.127 -5.416 16.268 259 1HG ARG 39 HG2 ARG 39 6.429 -4.692 14.236 260 2HG ARG 39 HG1 ARG 39 5.995 -3.038 14.550 261 1HD ARG 39 HD2 ARG 39 7.935 -2.908 15.712 262 2HD ARG 39 HD1 ARG 39 7.075 -3.721 17.010 263 HE ARG 39 HE ARG 39 8.696 -5.192 14.948 264 1HH1 ARG 39 HH1 ARG 39 9.855 -4.339 17.546 265 2HH1 ARG 39 HH1 ARG 39 9.818 -5.759 18.532 266 1HH2 ARG 39 HH2 ARG 39 7.462 -7.210 16.272 267 2HH2 ARG 39 HH2 ARG 39 8.326 -7.542 17.728 268 H SER 40 HN SER 40 1.375 -3.560 14.711 269 HA SER 40 HA SER 40 0.215 -5.421 16.750 270 1HB SER 40 HB2 SER 40 -1.117 -3.536 17.610 271 2HB SER 40 HB1 SER 40 0.517 -2.890 17.422 272 HG SER 40 HG SER 40 -1.591 -1.923 16.255 273 H GLN 41 HN GLN 41 -2.393 -4.905 16.513 274 HA GLN 41 HA GLN 41 -2.971 -5.737 13.717 275 1HB GLN 41 HB2 GLN 41 -3.822 -7.205 15.618 276 2HB GLN 41 HB1 GLN 41 -4.775 -5.865 16.220 277 1HG GLN 41 HG2 GLN 41 -6.164 -5.834 14.204 278 2HG GLN 41 HG1 GLN 41 -5.122 -7.005 13.412 279 1HE2 GLN 41 HE2 GLN 41 -6.454 -8.917 13.300 280 2HE2 GLN 41 HE2 GLN 41 -7.274 -9.495 14.665 281 H SER 42 HN SER 42 -2.553 -2.885 14.985 282 HA SER 42 HA SER 42 -5.035 -1.665 13.839 283 1HB SER 42 HB2 SER 42 -3.959 0.338 15.402 284 2HB SER 42 HB1 SER 42 -5.134 -0.830 16.002 285 HG SER 42 HG SER 42 -3.620 -1.410 17.311 286 H ASP 43 HN ASP 43 -1.552 -1.323 14.167 287 HA ASP 43 HA ASP 43 -1.135 0.876 12.436 288 1HB ASP 43 HB2 ASP 43 0.425 -0.823 14.068 289 2HB ASP 43 HB1 ASP 43 0.865 -1.291 12.471 290 H ARG 44 HN ARG 44 -1.596 -2.484 11.736 291 HA ARG 44 HA ARG 44 -0.932 -2.132 8.887 292 1HB ARG 44 HB2 ARG 44 -1.509 -4.535 8.726 293 2HB ARG 44 HB1 ARG 44 -0.252 -4.174 9.883 294 1HG ARG 44 HG2 ARG 44 -2.131 -4.291 11.708 295 2HG ARG 44 HG1 ARG 44 -3.129 -4.959 10.423 296 1HD ARG 44 HD2 ARG 44 -0.387 -6.056 11.277 297 2HD ARG 44 HD1 ARG 44 -1.898 -6.782 11.778 298 HE ARG 44 HE ARG 44 -1.035 -6.560 8.887 299 1HH1 ARG 44 HH1 ARG 44 -3.788 -7.457 10.435 300 2HH1 ARG 44 HH1 ARG 44 -3.769 -9.087 9.806 301 1HH2 ARG 44 HH2 ARG 44 -0.495 -8.962 8.735 302 2HH2 ARG 44 HH2 ARG 44 -1.933 -9.891 8.781 303 H GLN 45 HN GLN 45 -3.800 -2.183 10.837 304 HA GLN 45 HA GLN 45 -5.612 -2.490 8.573 305 1HB GLN 45 HB2 GLN 45 -5.711 -2.412 11.524 306 2HB GLN 45 HB1 GLN 45 -6.939 -1.373 10.849 307 1HG GLN 45 HG2 GLN 45 -7.916 -3.188 9.611 308 2HG GLN 45 HG1 GLN 45 -6.519 -4.225 9.846 309 1HE2 GLN 45 HE2 GLN 45 -6.809 -5.702 11.489 310 2HE2 GLN 45 HE2 GLN 45 -7.852 -5.457 12.818 311 H SER 46 HN SER 46 -4.184 0.090 10.474 312 HA SER 46 HA SER 46 -5.788 2.232 9.388 313 1HB SER 46 HB2 SER 46 -2.946 2.320 10.493 314 2HB SER 46 HB1 SER 46 -4.053 3.694 10.294 315 HG SER 46 HG SER 46 -4.383 1.369 11.880 316 H ALA 47 HN ALA 47 -2.431 1.302 8.560 317 HA ALA 47 HA ALA 47 -2.376 3.035 6.314 318 1HB ALA 47 HB1 ALA 47 -0.386 1.583 5.642 319 2HB ALA 47 HB2 ALA 47 -0.899 0.448 6.925 320 3HB ALA 47 HB3 ALA 47 -0.375 2.096 7.364 321 H CYS 48 HN CYS 48 -3.635 -0.165 6.606 322 HA CYS 48 HA CYS 48 -3.834 -0.812 3.835 323 1HB CYS 48 HB2 CYS 48 -4.260 -2.354 5.771 324 2HB CYS 48 HB1 CYS 48 -5.751 -1.499 6.084 325 H ASN 49 HN ASN 49 -6.015 0.865 6.052 326 HA ASN 49 HA ASN 49 -8.139 1.413 4.264 327 1HB ASN 49 HB2 ASN 49 -7.082 2.983 6.645 328 2HB ASN 49 HB1 ASN 49 -8.513 3.489 5.784 329 1HD2 ASN 49 HD2 ASN 49 -7.461 1.361 8.160 330 2HD2 ASN 49 HD2 ASN 49 -8.999 0.635 8.273 331 H CYS 50 HN CYS 50 -5.167 3.199 4.767 332 HA CYS 50 HA CYS 50 -5.610 5.491 3.207 333 1HB CYS 50 HB2 CYS 50 -3.026 3.893 3.169 334 2HB CYS 50 HB1 CYS 50 -3.223 5.608 2.952 335 H LEU 51 HN LEU 51 -4.156 2.504 2.086 336 HA LEU 51 HA LEU 51 -4.194 3.116 -0.709 337 1HB LEU 51 HB2 LEU 51 -4.103 0.533 0.880 338 2HB LEU 51 HB1 LEU 51 -3.979 0.531 -0.863 339 HG LEU 51 HG LEU 51 -2.169 2.428 0.713 340 1HD1 LEU 51 HD1 LEU 51 -0.448 0.655 0.875 341 2HD1 LEU 51 HD1 LEU 51 -1.655 -0.516 0.271 342 3HD1 LEU 51 HD1 LEU 51 -1.917 0.313 1.836 343 1HD2 LEU 51 HD2 LEU 51 -0.664 1.995 -1.154 344 2HD2 LEU 51 HD2 LEU 51 -2.273 2.478 -1.758 345 3HD2 LEU 51 HD2 LEU 51 -1.785 0.756 -1.791 346 H LYS 52 HN LYS 52 -6.518 1.540 1.313 347 HA LYS 52 HA LYS 52 -8.358 0.667 -0.681 348 1HB LYS 52 HB2 LYS 52 -7.978 0.343 2.016 349 2HB LYS 52 HB1 LYS 52 -9.256 1.527 2.091 350 1HG LYS 52 HG2 LYS 52 -9.415 -1.080 0.546 351 2HG LYS 52 HG1 LYS 52 -9.916 -0.921 2.217 352 1HD LYS 52 HD2 LYS 52 -11.512 0.842 1.570 353 2HD LYS 52 HD1 LYS 52 -11.021 0.680 -0.118 354 1HE LYS 52 HE2 LYS 52 -11.773 -1.669 -0.168 355 2HE LYS 52 HE1 LYS 52 -12.153 -1.623 1.550 356 1HZ LYS 52 HZ1 LYS 52 -14.158 -0.842 1.015 357 2HZ LYS 52 HZ2 LYS 52 -13.726 -0.805 -0.626 358 3HZ LYS 52 HZ3 LYS 52 -13.419 0.541 0.353 359 H GLY 53 HN GLY 53 -8.613 3.539 1.389 360 1HA GLY 53 HA2 GLY 53 -10.816 4.796 0.148 361 2HA GLY 53 HA1 GLY 53 -9.545 5.658 1.031 362 H ILE 54 HN ILE 54 -7.390 4.893 -0.626 363 HA ILE 54 HA ILE 54 -7.541 6.886 -2.677 364 HB ILE 54 HB ILE 54 -5.577 4.630 -2.048 365 1HG1 ILE 54 HG1 ILE 54 -5.107 7.631 -1.830 366 2HG1 ILE 54 HG1 ILE 54 -5.664 6.660 -0.494 367 1HG2 ILE 54 HG2 ILE 54 -5.262 6.719 -4.200 368 2HG2 ILE 54 HG2 ILE 54 -5.501 4.959 -4.426 369 3HG2 ILE 54 HG2 ILE 54 -4.018 5.548 -3.641 370 1HD1 ILE 54 HD1 ILE 54 -3.627 5.223 -0.647 371 2HD1 ILE 54 HD1 ILE 54 -3.191 6.928 -0.384 372 3HD1 ILE 54 HD1 ILE 54 -3.013 6.204 -2.009 373 H ALA 55 HN ALA 55 -7.076 3.380 -3.047 374 HA ALA 55 HA ALA 55 -7.381 3.068 -5.738 375 1HB ALA 55 HB1 ALA 55 -6.935 1.284 -4.161 376 2HB ALA 55 HB2 ALA 55 -8.298 0.824 -5.229 377 3HB ALA 55 HB3 ALA 55 -8.608 1.359 -3.547 378 H ARG 56 HN ARG 56 -9.958 3.493 -3.418 379 HA ARG 56 HA ARG 56 -12.230 3.052 -5.022 380 1HB ARG 56 HB2 ARG 56 -12.161 3.517 -2.486 381 2HB ARG 56 HB1 ARG 56 -11.987 5.216 -2.887 382 1HG ARG 56 HG2 ARG 56 -14.159 5.076 -4.195 383 2HG ARG 56 HG1 ARG 56 -14.348 3.435 -3.609 384 1HD ARG 56 HD2 ARG 56 -14.240 4.372 -1.219 385 2HD ARG 56 HD1 ARG 56 -14.244 5.984 -1.915 386 HE ARG 56 HE ARG 56 -16.469 3.993 -2.321 387 1HH1 ARG 56 HH1 ARG 56 -16.535 6.229 -4.108 388 2HH1 ARG 56 HH1 ARG 56 -17.578 7.385 -3.353 389 1HH2 ARG 56 HH2 ARG 56 -17.106 5.754 -0.215 390 2HH2 ARG 56 HH2 ARG 56 -17.902 7.094 -0.941 391 H GLY 57 HN GLY 57 -10.189 5.889 -4.950 392 1HA GLY 57 HA2 GLY 57 -12.056 7.310 -6.795 393 2HA GLY 57 HA1 GLY 57 -10.738 8.051 -5.887 394 H ILE 58 HN ILE 58 -10.276 5.024 -7.668 395 HA ILE 58 HA ILE 58 -8.517 6.569 -9.526 396 HB ILE 58 HB ILE 58 -8.510 3.589 -8.935 397 1HG1 ILE 58 HG1 ILE 58 -7.945 4.945 -6.906 398 2HG1 ILE 58 HG1 ILE 58 -6.622 3.950 -7.440 399 1HG2 ILE 58 HG2 ILE 58 -6.259 3.684 -9.940 400 2HG2 ILE 58 HG2 ILE 58 -6.506 5.415 -10.320 401 3HG2 ILE 58 HG2 ILE 58 -7.546 4.176 -11.078 402 1HD1 ILE 58 HD1 ILE 58 -5.849 6.189 -6.781 403 2HD1 ILE 58 HD1 ILE 58 -6.946 6.943 -7.970 404 3HD1 ILE 58 HD1 ILE 58 -5.565 5.931 -8.524 405 H HIS 59 HN HIS 59 -9.099 6.660 -11.604 406 HA HIS 59 HA HIS 59 -11.583 5.318 -12.434 407 1HB HIS 59 HB2 HIS 59 -10.926 7.716 -13.178 408 2HB HIS 59 HB1 HIS 59 -9.763 6.961 -14.267 409 HD1 HIS 59 HD1 HIS 59 -11.690 4.512 -14.979 410 HD2 HIS 59 HD2 HIS 59 -12.750 8.467 -15.174 411 HE1 HIS 59 HE1 HIS 59 -13.569 4.667 -16.571 412 H ASN 60 HN ASN 60 -8.182 5.298 -13.557 413 HA ASN 60 HA ASN 60 -8.774 2.631 -14.827 414 1HB ASN 60 HB2 ASN 60 -8.026 4.619 -16.344 415 2HB ASN 60 HB1 ASN 60 -6.436 4.416 -15.615 416 1HD2 ASN 60 HD2 ASN 60 -5.143 2.873 -16.673 417 2HD2 ASN 60 HD2 ASN 60 -5.755 1.633 -17.661 418 H LEU 61 HN LEU 61 -8.444 1.948 -12.531 419 HA LEU 61 HA LEU 61 -5.753 2.022 -11.431 420 1HB LEU 61 HB2 LEU 61 -7.906 1.862 -10.076 421 2HB LEU 61 HB1 LEU 61 -8.124 0.242 -10.682 422 HG LEU 61 HG LEU 61 -5.513 0.859 -9.241 423 1HD1 LEU 61 HD1 LEU 61 -7.256 1.828 -7.823 424 2HD1 LEU 61 HD1 LEU 61 -6.571 0.346 -7.106 425 3HD1 LEU 61 HD1 LEU 61 -8.175 0.293 -7.897 426 1HD2 LEU 61 HD2 LEU 61 -7.387 -1.536 -9.232 427 2HD2 LEU 61 HD2 LEU 61 -5.766 -1.446 -8.479 428 3HD2 LEU 61 HD2 LEU 61 -5.930 -1.386 -10.254 429 H ASN 62 HN ASN 62 -4.211 0.371 -11.389 430 HA ASN 62 HA ASN 62 -4.715 -1.925 -13.244 431 1HB ASN 62 HB2 ASN 62 -3.079 -0.062 -14.034 432 2HB ASN 62 HB1 ASN 62 -2.086 -0.623 -12.692 433 1HD2 ASN 62 HD2 ASN 62 -2.523 -1.160 -15.941 434 2HD2 ASN 62 HD2 ASN 62 -1.687 -2.634 -15.951 435 H GLU 63 HN GLU 63 -4.876 -3.704 -12.030 436 HA GLU 63 HA GLU 63 -3.689 -3.937 -9.415 437 1HB GLU 63 HB2 GLU 63 -5.571 -5.554 -11.056 438 2HB GLU 63 HB1 GLU 63 -4.341 -6.596 -10.383 439 1HG GLU 63 HG2 GLU 63 -6.197 -4.798 -8.769 440 2HG GLU 63 HG1 GLU 63 -6.243 -6.557 -8.837 441 H ASP 64 HN ASP 64 -2.789 -4.982 -12.600 442 HA ASP 64 HA ASP 64 -0.754 -6.850 -12.040 443 1HB ASP 64 HB2 ASP 64 -1.494 -6.309 -14.367 444 2HB ASP 64 HB1 ASP 64 -0.687 -4.751 -14.255 445 H ASN 65 HN ASN 65 -0.462 -3.343 -12.232 446 HA ASN 65 HA ASN 65 2.360 -3.402 -11.538 447 1HB ASN 65 HB2 ASN 65 0.277 -1.238 -11.659 448 2HB ASN 65 HB1 ASN 65 1.988 -0.862 -11.422 449 1HD2 ASN 65 HD2 ASN 65 0.041 -0.359 -13.759 450 2HD2 ASN 65 HD2 ASN 65 0.836 -1.061 -15.098 451 H ALA 66 HN ALA 66 -0.591 -2.544 -9.706 452 HA ALA 66 HA ALA 66 0.573 -1.908 -7.214 453 1HB ALA 66 HB1 ALA 66 -1.943 -3.553 -7.675 454 2HB ALA 66 HB2 ALA 66 -1.893 -1.763 -7.613 455 3HB ALA 66 HB3 ALA 66 -1.477 -2.712 -6.167 456 H ARG 67 HN ARG 67 -0.233 -5.069 -8.500 457 HA ARG 67 HA ARG 67 0.757 -6.486 -6.172 458 1HB ARG 67 HB2 ARG 67 -1.183 -7.028 -7.588 459 2HB ARG 67 HB1 ARG 67 -0.127 -7.335 -8.939 460 1HG ARG 67 HG2 ARG 67 0.861 -9.235 -7.936 461 2HG ARG 67 HG1 ARG 67 0.233 -8.830 -6.349 462 1HD ARG 67 HD2 ARG 67 -1.898 -9.600 -6.782 463 2HD ARG 67 HD1 ARG 67 -1.875 -9.141 -8.476 464 HE ARG 67 HE ARG 67 -0.512 -11.607 -7.383 465 1HH1 ARG 67 HH1 ARG 67 0.335 -10.451 -9.999 466 2HH1 ARG 67 HH1 ARG 67 -0.614 -11.303 -11.159 467 1HH2 ARG 67 HH2 ARG 67 -2.838 -12.385 -8.587 468 2HH2 ARG 67 HH2 ARG 67 -2.574 -12.472 -10.286 469 H SER 68 HN SER 68 2.144 -5.188 -8.982 470 HA SER 68 HA SER 68 4.448 -7.062 -9.033 471 1HB SER 68 HB2 SER 68 3.748 -4.634 -10.710 472 2HB SER 68 HB1 SER 68 5.345 -5.400 -10.811 473 HG SER 68 HG SER 68 2.852 -6.336 -11.481 474 H ILE 69 HN ILE 69 3.650 -4.391 -7.226 475 HA ILE 69 HA ILE 69 6.328 -3.204 -7.002 476 HB ILE 69 HB ILE 69 3.626 -2.853 -5.586 477 1HG1 ILE 69 HG1 ILE 69 5.313 -0.947 -7.199 478 2HG1 ILE 69 HG1 ILE 69 4.001 -1.939 -7.819 479 1HG2 ILE 69 HG2 ILE 69 6.170 -1.393 -4.860 480 2HG2 ILE 69 HG2 ILE 69 5.335 -2.566 -3.799 481 3HG2 ILE 69 HG2 ILE 69 4.525 -1.039 -4.241 482 1HD1 ILE 69 HD1 ILE 69 3.246 0.377 -7.336 483 2HD1 ILE 69 HD1 ILE 69 3.706 0.187 -5.628 484 3HD1 ILE 69 HD1 ILE 69 2.393 -0.816 -6.314 485 HA PRO 70 HA PRO 70 6.447 -5.388 -2.761 486 1HB PRO 70 HB2 PRO 70 4.625 -7.450 -2.284 487 2HB PRO 70 HB1 PRO 70 4.396 -5.774 -1.768 488 1HG PRO 70 HG2 PRO 70 3.260 -7.200 -4.209 489 2HG PRO 70 HG1 PRO 70 2.506 -6.069 -3.110 490 1HD PRO 70 HD2 PRO 70 3.424 -5.203 -5.491 491 2HD PRO 70 HD1 PRO 70 3.476 -4.181 -4.042 492 HA PRO 71 HA PRO 71 7.302 -9.794 -4.452 493 1HB PRO 71 HB2 PRO 71 7.087 -10.261 -7.127 494 2HB PRO 71 HB1 PRO 71 5.704 -10.446 -6.043 495 1HG PRO 71 HG2 PRO 71 6.473 -7.938 -7.645 496 2HG PRO 71 HG1 PRO 71 4.948 -8.833 -7.688 497 1HD PRO 71 HD2 PRO 71 5.108 -6.739 -6.067 498 2HD PRO 71 HD1 PRO 71 4.396 -8.236 -5.427 499 H LYS 72 HN LYS 72 8.168 -6.812 -5.921 500 HA LYS 72 HA LYS 72 10.863 -7.925 -6.617 501 1HB LYS 72 HB2 LYS 72 11.269 -5.960 -7.891 502 2HB LYS 72 HB1 LYS 72 9.771 -6.691 -8.436 503 1HG LYS 72 HG2 LYS 72 8.487 -4.866 -7.791 504 2HG LYS 72 HG1 LYS 72 9.513 -4.432 -6.446 505 1HD LYS 72 HD2 LYS 72 11.296 -3.698 -8.019 506 2HD LYS 72 HD1 LYS 72 10.260 -4.099 -9.377 507 1HE LYS 72 HE2 LYS 72 8.649 -2.382 -8.739 508 2HE LYS 72 HE1 LYS 72 9.501 -2.072 -7.232 509 1HZ LYS 72 HZ1 LYS 72 10.746 -0.563 -8.330 510 2HZ LYS 72 HZ2 LYS 72 10.012 -0.989 -9.815 511 3HZ LYS 72 HZ3 LYS 72 11.388 -1.813 -9.263 512 H CYS 73 HN CYS 73 9.272 -5.446 -4.769 513 HA CYS 73 HA CYS 73 11.527 -4.008 -3.869 514 1HB CYS 73 HB2 CYS 73 9.068 -3.558 -3.765 515 2HB CYS 73 HB1 CYS 73 8.976 -4.696 -2.509 516 H GLY 74 HN GLY 74 9.947 -6.762 -2.272 517 1HA GLY 74 HA2 GLY 74 11.416 -8.488 -1.241 518 2HA GLY 74 HA1 GLY 74 12.504 -7.210 -0.748 519 H VAL 75 HN VAL 75 9.245 -6.336 -0.285 520 HA VAL 75 HA VAL 75 9.407 -7.159 2.564 521 HB VAL 75 HB VAL 75 8.041 -5.099 2.965 522 1HG1 VAL 75 HG1 VAL 75 10.556 -4.597 1.328 523 2HG1 VAL 75 HG1 VAL 75 10.496 -4.978 3.078 524 3HG1 VAL 75 HG1 VAL 75 9.796 -3.450 2.462 525 1HG2 VAL 75 HG2 VAL 75 7.725 -3.436 1.239 526 2HG2 VAL 75 HG2 VAL 75 6.921 -4.966 0.791 527 3HG2 VAL 75 HG2 VAL 75 8.478 -4.512 0.027 528 H ASN 76 HN ASN 76 7.457 -7.249 -0.225 529 HA ASN 76 HA ASN 76 5.385 -8.241 -0.609 530 1HB ASN 76 HB2 ASN 76 6.878 -10.098 0.322 531 2HB ASN 76 HB1 ASN 76 5.983 -9.916 1.819 532 1HD2 ASN 76 HD2 ASN 76 3.656 -10.127 1.781 533 2HD2 ASN 76 HD2 ASN 76 2.883 -11.092 0.604 534 H LEU 77 HN LEU 77 4.375 -6.169 0.147 535 HA LEU 77 HA LEU 77 3.301 -5.857 2.760 536 1HB LEU 77 HB2 LEU 77 2.940 -4.512 0.113 537 2HB LEU 77 HB1 LEU 77 1.459 -4.596 0.976 538 HG LEU 77 HG LEU 77 2.287 -3.456 2.869 539 1HD1 LEU 77 HD1 LEU 77 4.504 -2.387 2.958 540 2HD1 LEU 77 HD1 LEU 77 4.924 -3.172 1.404 541 3HD1 LEU 77 HD1 LEU 77 4.675 -4.162 2.870 542 1HD2 LEU 77 HD2 LEU 77 3.061 -1.995 0.319 543 2HD2 LEU 77 HD2 LEU 77 2.738 -1.247 1.908 544 3HD2 LEU 77 HD2 LEU 77 1.428 -2.107 1.044 545 HA PRO 78 HA PRO 78 -0.152 -8.569 2.378 546 1HB PRO 78 HB2 PRO 78 -1.474 -8.117 4.639 547 2HB PRO 78 HB1 PRO 78 0.206 -8.635 4.722 548 1HG PRO 78 HG2 PRO 78 -0.903 -5.797 4.977 549 2HG PRO 78 HG1 PRO 78 0.313 -6.593 5.970 550 1HD PRO 78 HD2 PRO 78 0.920 -4.915 3.760 551 2HD PRO 78 HD1 PRO 78 2.044 -6.114 4.457 552 H TYR 79 HN TYR 79 -0.285 -5.460 1.528 553 HA TYR 79 HA TYR 79 -2.878 -5.694 0.297 554 1HB TYR 79 HB2 TYR 79 -3.928 -3.677 1.555 555 2HB TYR 79 HB1 TYR 79 -3.764 -5.128 2.524 556 HD1 TYR 79 HD1 TYR 79 -3.022 -4.757 4.698 557 HD2 TYR 79 HD2 TYR 79 -1.606 -2.134 1.661 558 HE1 TYR 79 HE1 TYR 79 -1.736 -3.496 6.353 559 HE2 TYR 79 HE2 TYR 79 -0.337 -0.891 3.313 560 HH TYR 79 HH TYR 79 -0.581 -1.508 6.714 561 H THR 80 HN THR 80 -3.433 -3.724 -1.002 562 HA THR 80 HA THR 80 -1.356 -1.670 -1.330 563 HB THR 80 HB THR 80 -0.391 -3.502 -2.745 564 HG1 THR 80 HG1 THR 80 -0.081 -2.161 -4.370 565 1HG2 THR 80 HG2 THR 80 -2.993 -3.305 -4.333 566 2HG2 THR 80 HG2 THR 80 -2.571 -4.673 -3.253 567 3HG2 THR 80 HG2 THR 80 -1.579 -4.336 -4.695 568 H ILE 81 HN ILE 81 -2.164 -0.565 -3.688 569 HA ILE 81 HA ILE 81 -4.767 0.490 -2.985 570 HB ILE 81 HB ILE 81 -3.583 2.232 -3.924 571 1HG1 ILE 81 HG1 ILE 81 -4.006 0.976 -6.591 572 2HG1 ILE 81 HG1 ILE 81 -5.346 1.599 -5.652 573 1HG2 ILE 81 HG2 ILE 81 -1.928 0.276 -5.487 574 2HG2 ILE 81 HG2 ILE 81 -1.463 1.127 -3.972 575 3HG2 ILE 81 HG2 ILE 81 -1.678 2.047 -5.478 576 1HD1 ILE 81 HD1 ILE 81 -4.600 3.275 -7.230 577 2HD1 ILE 81 HD1 ILE 81 -2.930 3.176 -6.613 578 3HD1 ILE 81 HD1 ILE 81 -4.248 3.787 -5.555 579 H SER 82 HN SER 82 -6.150 -1.210 -3.108 580 HA SER 82 HA SER 82 -7.234 -1.904 -5.729 581 1HB SER 82 HB2 SER 82 -5.325 -3.674 -5.499 582 2HB SER 82 HB1 SER 82 -6.124 -4.240 -4.048 583 HG SER 82 HG SER 82 -6.684 -4.754 -6.601 584 H LEU 83 HN LEU 83 -8.853 -3.856 -5.251 585 HA LEU 83 HA LEU 83 -10.370 -3.190 -2.731 586 1HB LEU 83 HB2 LEU 83 -11.510 -3.727 -5.521 587 2HB LEU 83 HB1 LEU 83 -12.476 -3.623 -4.078 588 HG LEU 83 HG LEU 83 -11.401 -1.239 -3.791 589 1HD1 LEU 83 HD1 LEU 83 -10.965 -1.687 -6.740 590 2HD1 LEU 83 HD1 LEU 83 -9.705 -1.376 -5.515 591 3HD1 LEU 83 HD1 LEU 83 -10.885 -0.099 -5.914 592 1HD2 LEU 83 HD2 LEU 83 -13.379 -1.802 -6.030 593 2HD2 LEU 83 HD2 LEU 83 -13.172 -0.236 -5.189 594 3HD2 LEU 83 HD2 LEU 83 -13.767 -1.663 -4.292 595 H ASN 84 HN ASN 84 -8.494 -5.314 -3.351 596 HA ASN 84 HA ASN 84 -10.171 -7.760 -3.447 597 1HB ASN 84 HB2 ASN 84 -7.171 -7.186 -3.591 598 2HB ASN 84 HB1 ASN 84 -7.709 -8.825 -3.377 599 1HD2 ASN 84 HD2 ASN 84 -6.521 -7.172 -5.865 600 2HD2 ASN 84 HD2 ASN 84 -7.593 -7.643 -7.081 601 H ILE 85 HN ILE 85 -7.570 -6.657 -1.250 602 HA ILE 85 HA ILE 85 -8.520 -8.410 0.887 603 HB ILE 85 HB ILE 85 -6.708 -7.256 2.217 604 1HG1 ILE 85 HG1 ILE 85 -5.131 -5.700 0.765 605 2HG1 ILE 85 HG1 ILE 85 -6.564 -5.403 -0.185 606 1HG2 ILE 85 HG2 ILE 85 -6.123 -9.154 0.873 607 2HG2 ILE 85 HG2 ILE 85 -4.782 -7.970 0.884 608 3HG2 ILE 85 HG2 ILE 85 -5.845 -8.101 -0.548 609 1HD1 ILE 85 HD1 ILE 85 -7.773 -4.491 1.800 610 2HD1 ILE 85 HD1 ILE 85 -6.238 -3.653 1.508 611 3HD1 ILE 85 HD1 ILE 85 -6.341 -4.876 2.805 612 H ASP 86 HN ASP 86 -9.314 -7.532 2.963 613 HA ASP 86 HA ASP 86 -10.764 -4.936 2.651 614 1HB ASP 86 HB2 ASP 86 -11.683 -7.640 3.664 615 2HB ASP 86 HB1 ASP 86 -12.354 -6.210 4.426 616 H CYS 87 HN CYS 87 -8.131 -5.482 3.810 617 HA CYS 87 HA CYS 87 -6.875 -4.913 5.692 618 1HB CYS 87 HB2 CYS 87 -9.268 -3.140 6.209 619 2HB CYS 87 HB1 CYS 87 -7.639 -2.886 6.772 620 H SER 88 HN SER 88 -9.228 -6.937 5.956 621 HA SER 88 HA SER 88 -9.395 -7.021 8.923 622 1HB SER 88 HB2 SER 88 -11.418 -8.535 8.285 623 2HB SER 88 HB1 SER 88 -11.540 -6.828 7.791 624 HG SER 88 HG SER 88 -11.565 -7.573 5.833 625 H ARG 89 HN ARG 89 -9.160 -9.085 6.149 626 HA ARG 89 HA ARG 89 -7.836 -11.226 7.780 627 1HB ARG 89 HB2 ARG 89 -9.998 -11.589 6.408 628 2HB ARG 89 HB1 ARG 89 -9.000 -11.426 4.980 629 1HG ARG 89 HG2 ARG 89 -7.674 -13.371 5.573 630 2HG ARG 89 HG1 ARG 89 -8.494 -13.513 7.121 631 1HD ARG 89 HD2 ARG 89 -10.682 -13.888 5.939 632 2HD ARG 89 HD1 ARG 89 -9.870 -13.741 4.386 633 HE ARG 89 HE ARG 89 -9.189 -15.908 6.356 634 1HH1 ARG 89 HH1 ARG 89 -7.606 -15.350 3.925 635 2HH1 ARG 89 HH1 ARG 89 -8.154 -16.523 2.784 636 1HH2 ARG 89 HH2 ARG 89 -11.065 -17.079 4.790 637 2HH2 ARG 89 HH2 ARG 89 -10.317 -17.603 3.331 638 H VAL 90 HN VAL 90 -6.182 -9.231 7.385 639 HA VAL 90 HA VAL 90 -4.338 -10.024 5.151 640 HB VAL 90 HB VAL 90 -3.504 -7.747 5.208 641 1HG1 VAL 90 HG1 VAL 90 -5.524 -8.127 3.935 642 2HG1 VAL 90 HG1 VAL 90 -5.522 -6.474 4.615 643 3HG1 VAL 90 HG1 VAL 90 -6.536 -7.753 5.359 644 1HG2 VAL 90 HG2 VAL 90 -3.586 -7.377 7.599 645 2HG2 VAL 90 HG2 VAL 90 -5.373 -7.305 7.560 646 3HG2 VAL 90 HG2 VAL 90 -4.403 -6.043 6.737
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