NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15570 | 1yju | 6481 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 1.985 7.978 -15.670 2 2H MET 1 H2 MET 1 0.406 8.025 -16.198 3 3H MET 1 H3 MET 1 1.079 6.751 -15.367 4 HA MET 1 HA MET 1 0.871 6.021 -17.583 5 1HB MET 1 2HB MET 1 2.399 8.566 -18.254 6 2HB MET 1 3HB MET 1 2.188 7.201 -19.362 7 1HG MET 1 2HG MET 1 -0.276 7.434 -19.193 8 2HG MET 1 3HG MET 1 -0.062 8.868 -18.170 9 1HE MET 1 1HE MET 1 -1.852 8.754 -20.806 10 2HE MET 1 2HE MET 1 -1.676 10.200 -19.778 11 3HE MET 1 3HE MET 1 -1.424 10.318 -21.535 12 H GLY 2 H GLY 2 2.009 4.240 -16.847 13 1HA GLY 2 2HA GLY 2 3.779 2.849 -16.469 14 2HA GLY 2 1HA GLY 2 4.718 3.899 -17.544 15 H ASP 3 H ASP 3 3.193 4.808 -14.469 16 HA ASP 3 HA ASP 3 5.431 6.364 -13.770 17 1HB ASP 3 2HB ASP 3 3.133 5.680 -11.905 18 2HB ASP 3 3HB ASP 3 4.027 7.197 -12.062 19 H GLY 4 H GLY 4 3.943 3.569 -12.163 20 1HA GLY 4 2HA GLY 4 6.166 2.070 -11.444 21 2HA GLY 4 1HA GLY 4 5.996 3.278 -10.156 22 H VAL 5 H VAL 5 5.005 0.229 -11.121 23 HA VAL 5 HA VAL 5 2.486 0.255 -9.538 24 HB VAL 5 HB VAL 5 2.266 -2.077 -10.184 25 1HG1 VAL 5 1HG1 VAL 5 2.734 -0.275 -12.599 26 2HG1 VAL 5 2HG1 VAL 5 1.717 -1.728 -12.540 27 3HG1 VAL 5 3HG1 VAL 5 1.271 -0.301 -11.590 28 1HG2 VAL 5 1HG2 VAL 5 4.619 -2.747 -10.459 29 2HG2 VAL 5 2HG2 VAL 5 3.674 -3.105 -11.905 30 3HG2 VAL 5 3HG2 VAL 5 4.765 -1.709 -11.896 31 H LEU 6 H LEU 6 2.380 -0.859 -7.570 32 HA LEU 6 HA LEU 6 4.887 -1.921 -6.406 33 1HB LEU 6 2HB LEU 6 4.825 0.568 -6.162 34 2HB LEU 6 3HB LEU 6 3.288 0.434 -5.322 35 HG LEU 6 HG LEU 6 4.469 -0.929 -3.553 36 1HD1 LEU 6 1HD1 LEU 6 6.970 -0.714 -3.455 37 2HD1 LEU 6 2HD1 LEU 6 6.435 -1.729 -4.798 38 3HD1 LEU 6 3HD1 LEU 6 6.954 -0.056 -5.102 39 1HD2 LEU 6 1HD2 LEU 6 5.566 1.035 -2.515 40 2HD2 LEU 6 2HD2 LEU 6 5.541 1.874 -4.079 41 3HD2 LEU 6 3HD2 LEU 6 4.019 1.469 -3.258 42 H GLU 7 H GLU 7 3.467 -3.925 -6.655 43 HA GLU 7 HA GLU 7 1.395 -4.237 -4.685 44 1HB GLU 7 2HB GLU 7 3.099 -6.314 -6.106 45 2HB GLU 7 3HB GLU 7 1.717 -6.629 -5.074 46 1HG GLU 7 2HG GLU 7 0.575 -6.491 -7.063 47 2HG GLU 7 3HG GLU 7 0.553 -4.801 -6.530 48 H LEU 8 H LEU 8 1.880 -3.653 -2.735 49 HA LEU 8 HA LEU 8 4.136 -4.910 -1.287 50 1HB LEU 8 2HB LEU 8 1.930 -3.200 -0.142 51 2HB LEU 8 3HB LEU 8 3.487 -3.598 0.573 52 HG LEU 8 HG LEU 8 3.042 -1.842 -1.904 53 1HD1 LEU 8 1HD1 LEU 8 3.721 -1.139 0.957 54 2HD1 LEU 8 2HD1 LEU 8 3.701 -0.003 -0.418 55 3HD1 LEU 8 3HD1 LEU 8 2.206 -0.820 0.073 56 1HD2 LEU 8 1HD2 LEU 8 5.484 -1.214 -1.382 57 2HD2 LEU 8 2HD2 LEU 8 5.547 -2.684 -0.387 58 3HD2 LEU 8 3HD2 LEU 8 5.189 -2.782 -2.134 59 H VAL 9 H VAL 9 3.700 -7.084 -0.632 60 HA VAL 9 HA VAL 9 0.910 -7.881 -0.209 61 HB VAL 9 HB VAL 9 2.559 -9.498 -1.023 62 1HG1 VAL 9 1HG1 VAL 9 4.091 -10.607 0.476 63 2HG1 VAL 9 2HG1 VAL 9 4.479 -8.880 0.443 64 3HG1 VAL 9 3HG1 VAL 9 3.616 -9.572 1.833 65 1HG2 VAL 9 1HG2 VAL 9 1.152 -10.175 1.591 66 2HG2 VAL 9 2HG2 VAL 9 0.440 -10.201 -0.037 67 3HG2 VAL 9 3HG2 VAL 9 1.723 -11.344 0.381 68 H VAL 10 H VAL 10 -0.161 -7.416 1.604 69 HA VAL 10 HA VAL 10 1.269 -6.087 3.845 70 HB VAL 10 HB VAL 10 -1.113 -5.252 4.353 71 1HG1 VAL 10 1HG1 VAL 10 -0.716 -3.305 2.892 72 2HG1 VAL 10 2HG1 VAL 10 0.757 -3.864 3.706 73 3HG1 VAL 10 3HG1 VAL 10 0.503 -4.231 1.983 74 1HG2 VAL 10 1HG2 VAL 10 -1.426 -5.689 1.353 75 2HG2 VAL 10 2HG2 VAL 10 -2.267 -6.632 2.598 76 3HG2 VAL 10 3HG2 VAL 10 -2.560 -4.889 2.443 77 H ARG 11 H ARG 11 1.844 -7.692 5.107 78 HA ARG 11 HA ARG 11 0.160 -10.059 5.563 79 1HB ARG 11 2HB ARG 11 2.859 -9.146 6.591 80 2HB ARG 11 3HB ARG 11 2.111 -10.680 7.053 81 1HG ARG 11 2HG ARG 11 2.400 -11.644 4.955 82 2HG ARG 11 3HG ARG 11 2.356 -10.092 4.096 83 1HD ARG 11 2HD ARG 11 4.485 -9.440 4.974 84 2HD ARG 11 3HD ARG 11 4.656 -10.947 5.905 85 HE ARG 11 HE ARG 11 4.277 -11.779 3.288 86 1HH1 ARG 11 2HH2 ARG 11 6.604 -9.776 5.028 87 2HH1 ARG 11 1HH2 ARG 11 7.533 -9.391 3.637 88 1HH2 ARG 11 2HH1 ARG 11 5.889 -11.823 1.577 89 2HH2 ARG 11 1HH1 ARG 11 7.417 -11.029 1.830 90 H GLY 12 H GLY 12 -1.567 -9.681 6.813 91 1HA GLY 12 2HA GLY 12 -1.956 -9.452 9.385 92 2HA GLY 12 1HA GLY 12 -1.638 -7.749 8.937 93 H MET 13 H MET 13 -3.670 -6.923 8.693 94 HA MET 13 HA MET 13 -5.688 -6.529 7.966 95 1HB MET 13 2HB MET 13 -5.007 -8.211 5.523 96 2HB MET 13 3HB MET 13 -6.354 -7.102 5.668 97 1HG MET 13 2HG MET 13 -4.424 -5.373 6.381 98 2HG MET 13 3HG MET 13 -3.431 -6.496 5.451 99 1HE MET 13 1HE MET 13 -4.255 -7.307 3.100 100 2HE MET 13 2HE MET 13 -6.011 -7.265 3.300 101 3HE MET 13 3HE MET 13 -5.255 -6.339 1.980 102 H THR 14 H THR 14 -7.832 -7.624 7.037 103 HA THR 14 HA THR 14 -8.456 -10.134 8.447 104 HB THR 14 HB THR 14 -10.163 -8.825 9.831 105 HG1 THR 14 1HG THR 14 -8.441 -6.660 9.165 106 1HG2 THR 14 1HG2 THR 14 -8.672 -8.261 11.623 107 2HG2 THR 14 2HG2 THR 14 -8.015 -9.699 10.819 108 3HG2 THR 14 3HG2 THR 14 -7.282 -8.107 10.541 109 H CYS 15 H CYS 15 -10.463 -7.296 7.795 110 HA CYS 15 HA CYS 15 -11.525 -8.086 5.213 111 1HB CYS 15 2HB CYS 15 -12.773 -9.187 7.698 112 2HB CYS 15 3HB CYS 15 -13.884 -8.260 6.680 113 HG CYS 15 HG CYS 15 -11.876 -10.684 5.715 114 H ALA 16 H ALA 16 -12.349 -6.284 4.313 115 HA ALA 16 HA ALA 16 -12.726 -4.044 4.086 116 1HB ALA 16 1HB ALA 16 -14.429 -4.454 6.582 117 2HB ALA 16 2HB ALA 16 -14.646 -3.201 5.332 118 3HB ALA 16 3HB ALA 16 -14.903 -4.910 4.937 119 H SER 17 H SER 17 -13.235 -2.179 6.450 120 HA SER 17 HA SER 17 -12.127 -0.908 7.958 121 1HB SER 17 2HB SER 17 -11.481 -2.148 9.888 122 2HB SER 17 3HB SER 17 -12.928 -2.852 9.140 123 HG SER 17 HG SER 17 -11.591 -4.502 8.260 124 H CYS 18 H CYS 18 -9.663 -3.365 8.155 125 HA CYS 18 HA CYS 18 -7.369 -1.696 8.008 126 1HB CYS 18 2HB CYS 18 -6.141 -3.750 7.375 127 2HB CYS 18 3HB CYS 18 -7.261 -4.063 8.722 128 HG CYS 18 HG CYS 18 -9.189 -4.981 7.154 129 H VAL 19 H VAL 19 -9.255 -3.200 5.401 130 HA VAL 19 HA VAL 19 -7.700 -2.567 3.209 131 HB VAL 19 HB VAL 19 -10.706 -2.786 3.588 132 1HG1 VAL 19 1HG1 VAL 19 -10.455 -1.485 1.564 133 2HG1 VAL 19 2HG1 VAL 19 -9.209 -2.603 0.956 134 3HG1 VAL 19 3HG1 VAL 19 -10.893 -3.142 1.161 135 1HG2 VAL 19 1HG2 VAL 19 -10.369 -5.006 2.568 136 2HG2 VAL 19 2HG2 VAL 19 -8.632 -4.675 2.390 137 3HG2 VAL 19 3HG2 VAL 19 -9.349 -4.847 4.002 138 H HIS 20 H HIS 20 -10.641 -0.654 4.068 139 HA HIS 20 HA HIS 20 -9.744 1.496 2.464 140 1HB HIS 20 2HB HIS 20 -11.634 2.680 2.978 141 2HB HIS 20 3HB HIS 20 -12.129 0.984 2.985 142 HD1 HIS 20 1HD HIS 20 -13.096 3.850 4.794 143 HD2 HIS 20 2HD HIS 20 -11.602 0.090 5.843 144 HE1 HIS 20 1HE HIS 20 -13.852 3.409 7.206 145 H LYS 21 H LYS 21 -9.138 0.767 5.886 146 HA LYS 21 HA LYS 21 -8.172 3.296 6.689 147 1HB LYS 21 2HB LYS 21 -8.332 1.309 8.219 148 2HB LYS 21 3HB LYS 21 -6.952 0.591 7.368 149 1HG LYS 21 2HG LYS 21 -5.940 3.026 7.915 150 2HG LYS 21 3HG LYS 21 -7.041 2.940 9.251 151 1HD LYS 21 2HD LYS 21 -4.876 0.893 8.557 152 2HD LYS 21 3HD LYS 21 -4.731 2.193 9.758 153 1HE LYS 21 2HE LYS 21 -6.486 1.222 11.141 154 2HE LYS 21 3HE LYS 21 -6.732 -0.087 9.974 155 1HZ LYS 21 1HZ LYS 21 -4.516 -0.864 10.438 156 2HZ LYS 21 2HZ LYS 21 -4.165 0.375 11.426 157 3HZ LYS 21 3HZ LYS 21 -5.318 -0.708 11.858 158 H ILE 22 H ILE 22 -6.391 0.574 5.031 159 HA ILE 22 HA ILE 22 -4.003 2.093 4.650 160 HB ILE 22 HB ILE 22 -5.119 -0.233 3.050 161 1HG1 ILE 22 2HG1 ILE 22 -2.895 -0.163 5.129 162 2HG1 ILE 22 3HG1 ILE 22 -4.554 -0.669 5.464 163 1HG2 ILE 22 1HG2 ILE 22 -3.439 1.122 1.721 164 2HG2 ILE 22 2HG2 ILE 22 -2.309 0.966 3.078 165 3HG2 ILE 22 3HG2 ILE 22 -2.800 -0.456 2.143 166 1HD1 ILE 22 1HD1 ILE 22 -3.259 -2.648 5.144 167 2HD1 ILE 22 2HD1 ILE 22 -4.374 -2.455 3.789 168 3HD1 ILE 22 3HD1 ILE 22 -2.645 -2.085 3.587 169 H GLU 23 H GLU 23 -6.693 1.424 2.310 170 HA GLU 23 HA GLU 23 -5.603 2.944 0.238 171 1HB GLU 23 2HB GLU 23 -8.538 2.426 0.836 172 2HB GLU 23 3HB GLU 23 -7.903 2.998 -0.710 173 1HG GLU 23 2HG GLU 23 -6.570 1.012 -0.992 174 2HG GLU 23 3HG GLU 23 -7.050 0.369 0.591 175 H SER 24 H SER 24 -8.073 4.067 2.556 176 HA SER 24 HA SER 24 -8.202 6.737 1.617 177 1HB SER 24 2HB SER 24 -9.855 5.600 3.147 178 2HB SER 24 3HB SER 24 -8.679 5.760 4.467 179 HG SER 24 HG SER 24 -9.755 7.909 2.942 180 H SER 25 H SER 25 -6.134 5.205 4.186 181 HA SER 25 HA SER 25 -5.003 7.666 5.052 182 1HB SER 25 2HB SER 25 -4.867 5.638 6.404 183 2HB SER 25 3HB SER 25 -3.779 4.897 5.219 184 HG SER 25 HG SER 25 -2.828 6.060 7.095 185 H LEU 26 H LEU 26 -3.479 5.154 2.854 186 HA LEU 26 HA LEU 26 -1.257 6.918 2.601 187 1HB LEU 26 2HB LEU 26 -1.941 4.555 0.832 188 2HB LEU 26 3HB LEU 26 -0.435 5.523 0.821 189 HG LEU 26 HG LEU 26 -0.233 3.378 1.902 190 1HD1 LEU 26 1HD1 LEU 26 1.242 4.202 3.607 191 2HD1 LEU 26 2HD1 LEU 26 1.351 5.250 2.192 192 3HD1 LEU 26 3HD1 LEU 26 0.427 5.770 3.630 193 1HD2 LEU 26 1HD2 LEU 26 -2.241 3.249 3.323 194 2HD2 LEU 26 2HD2 LEU 26 -0.786 3.159 4.309 195 3HD2 LEU 26 3HD2 LEU 26 -1.684 4.662 4.262 196 H THR 27 H THR 27 -4.223 6.644 0.643 197 HA THR 27 HA THR 27 -3.277 8.118 -1.578 198 HB THR 27 HB THR 27 -6.012 8.016 -0.306 199 HG1 THR 27 1HG THR 27 -5.480 6.030 -0.949 200 1HG2 THR 27 1HG2 THR 27 -5.978 9.913 -1.890 201 2HG2 THR 27 2HG2 THR 27 -5.166 8.902 -3.109 202 3HG2 THR 27 3HG2 THR 27 -6.838 8.552 -2.625 203 H LYS 28 H LYS 28 -3.750 9.265 1.740 204 HA LYS 28 HA LYS 28 -4.014 12.033 1.131 205 1HB LYS 28 2HB LYS 28 -3.450 12.471 3.365 206 2HB LYS 28 3HB LYS 28 -4.337 10.950 3.363 207 1HG LYS 28 2HG LYS 28 -2.683 10.251 4.714 208 2HG LYS 28 3HG LYS 28 -1.777 9.987 3.223 209 1HD LYS 28 2HD LYS 28 -0.761 12.280 3.488 210 2HD LYS 28 3HD LYS 28 -1.648 12.442 5.019 211 1HE LYS 28 2HE LYS 28 -0.514 10.362 5.866 212 2HE LYS 28 3HE LYS 28 0.390 10.249 4.350 213 1HZ LYS 28 1HZ LYS 28 1.680 11.265 6.071 214 2HZ LYS 28 2HZ LYS 28 1.404 12.369 4.883 215 3HZ LYS 28 3HZ LYS 28 0.567 12.453 6.299 216 H HIS 29 H HIS 29 -1.186 9.874 0.875 217 HA HIS 29 HA HIS 29 0.743 12.084 0.852 218 1HB HIS 29 2HB HIS 29 1.050 9.319 -0.380 219 2HB HIS 29 3HB HIS 29 2.279 10.539 -0.044 220 HD1 HIS 29 1HD HIS 29 3.409 10.460 2.314 221 HD2 HIS 29 2HD HIS 29 0.545 7.594 1.398 222 HE1 HIS 29 1HE HIS 29 3.732 8.464 3.907 223 H ARG 30 H ARG 30 0.586 13.580 -0.822 224 HA ARG 30 HA ARG 30 -0.723 12.972 -3.294 225 1HB ARG 30 2HB ARG 30 -0.632 15.185 -2.154 226 2HB ARG 30 3HB ARG 30 1.059 15.343 -2.635 227 1HG ARG 30 2HG ARG 30 -0.622 14.654 -4.943 228 2HG ARG 30 3HG ARG 30 -1.314 16.029 -4.093 229 1HD ARG 30 2HD ARG 30 0.646 17.348 -4.324 230 2HD ARG 30 3HD ARG 30 1.654 16.000 -4.813 231 HE ARG 30 HE ARG 30 -0.150 17.579 -6.462 232 1HH1 ARG 30 2HH2 ARG 30 1.456 14.419 -6.218 233 2HH1 ARG 30 1HH2 ARG 30 1.557 14.165 -7.929 234 1HH2 ARG 30 2HH1 ARG 30 -0.104 17.221 -8.742 235 2HH2 ARG 30 1HH1 ARG 30 0.596 15.771 -9.387 236 H GLY 31 H GLY 31 1.504 11.147 -2.803 237 1HA GLY 31 2HA GLY 31 2.734 11.341 -5.482 238 2HA GLY 31 1HA GLY 31 3.690 10.788 -4.100 239 H ILE 32 H ILE 32 0.658 9.705 -3.326 240 HA ILE 32 HA ILE 32 1.026 7.068 -4.597 241 HB ILE 32 HB ILE 32 -0.786 8.291 -2.498 242 1HG1 ILE 32 2HG1 ILE 32 1.534 7.239 -2.013 243 2HG1 ILE 32 3HG1 ILE 32 0.156 6.780 -1.020 244 1HG2 ILE 32 1HG2 ILE 32 -1.904 6.019 -2.403 245 2HG2 ILE 32 2HG2 ILE 32 -2.346 6.982 -3.826 246 3HG2 ILE 32 3HG2 ILE 32 -1.155 5.669 -3.985 247 1HD1 ILE 32 1HD1 ILE 32 -0.169 4.690 -2.251 248 2HD1 ILE 32 2HD1 ILE 32 1.137 5.175 -3.380 249 3HD1 ILE 32 3HD1 ILE 32 1.468 4.771 -1.699 250 H LEU 33 H LEU 33 0.223 6.783 -6.592 251 HA LEU 33 HA LEU 33 -1.644 8.773 -7.752 252 1HB LEU 33 2HB LEU 33 -0.205 6.403 -8.990 253 2HB LEU 33 3HB LEU 33 -1.191 7.580 -9.856 254 HG LEU 33 HG LEU 33 1.342 8.304 -8.299 255 1HD1 LEU 33 1HD1 LEU 33 0.951 7.902 -11.288 256 2HD1 LEU 33 2HD1 LEU 33 2.436 8.446 -10.477 257 3HD1 LEU 33 3HD1 LEU 33 1.828 6.805 -10.198 258 1HD2 LEU 33 1HD2 LEU 33 1.233 10.391 -9.632 259 2HD2 LEU 33 2HD2 LEU 33 -0.348 9.895 -10.271 260 3HD2 LEU 33 3HD2 LEU 33 -0.142 10.235 -8.536 261 H TYR 34 H TYR 34 -1.479 5.319 -6.761 262 HA TYR 34 HA TYR 34 -4.307 5.477 -6.273 263 1HB TYR 34 2HB TYR 34 -4.112 4.831 -8.788 264 2HB TYR 34 3HB TYR 34 -3.496 3.281 -8.215 265 HD1 TYR 34 HD1 TYR 34 -6.383 5.655 -8.010 266 HD2 TYR 34 HD2 TYR 34 -5.007 1.632 -7.316 267 HE1 TYR 34 HE1 TYR 34 -8.542 5.095 -6.928 268 HE2 TYR 34 HE2 TYR 34 -7.049 1.157 -6.066 269 HH TYR 34 HH TYR 34 -8.945 2.063 -5.111 270 H CYS 35 H CYS 35 -5.130 3.516 -5.169 271 HA CYS 35 HA CYS 35 -3.161 1.654 -3.934 272 1HB CYS 35 2HB CYS 35 -3.286 3.746 -2.494 273 2HB CYS 35 3HB CYS 35 -5.023 3.421 -2.305 274 HG CYS 35 HG CYS 35 -2.348 1.768 -1.415 275 H SER 36 H SER 36 -4.120 -0.038 -4.993 276 HA SER 36 HA SER 36 -7.004 -0.674 -4.485 277 1HB SER 36 2HB SER 36 -4.900 -1.895 -6.325 278 2HB SER 36 3HB SER 36 -6.516 -2.565 -6.064 279 HG SER 36 HG SER 36 -6.424 -1.335 -7.953 280 H VAL 37 H VAL 37 -6.954 -1.456 -2.310 281 HA VAL 37 HA VAL 37 -4.807 -3.413 -1.668 282 HB VAL 37 HB VAL 37 -6.847 -2.148 0.192 283 1HG1 VAL 37 1HG1 VAL 37 -4.352 -3.837 0.638 284 2HG1 VAL 37 2HG1 VAL 37 -5.347 -3.065 1.894 285 3HG1 VAL 37 3HG1 VAL 37 -6.030 -4.380 0.922 286 1HG2 VAL 37 1HG2 VAL 37 -4.992 -0.803 0.926 287 2HG2 VAL 37 2HG2 VAL 37 -3.854 -1.641 -0.137 288 3HG2 VAL 37 3HG2 VAL 37 -5.097 -0.595 -0.821 289 H ALA 38 H ALA 38 -5.148 -5.099 -2.803 290 HA ALA 38 HA ALA 38 -7.760 -6.406 -3.045 291 1HB ALA 38 1HB ALA 38 -4.953 -7.268 -3.868 292 2HB ALA 38 2HB ALA 38 -6.470 -8.091 -4.293 293 3HB ALA 38 3HB ALA 38 -6.147 -6.455 -4.904 294 H LEU 39 H LEU 39 -8.029 -6.419 -0.727 295 HA LEU 39 HA LEU 39 -7.010 -7.990 1.235 296 1HB LEU 39 2HB LEU 39 -9.153 -6.750 1.197 297 2HB LEU 39 3HB LEU 39 -9.881 -7.988 0.186 298 HG LEU 39 HG LEU 39 -10.538 -7.982 2.559 299 1HD1 LEU 39 1HD1 LEU 39 -10.635 -10.322 2.903 300 2HD1 LEU 39 2HD1 LEU 39 -10.717 -10.051 1.155 301 3HD1 LEU 39 3HD1 LEU 39 -9.214 -10.634 1.907 302 1HD2 LEU 39 1HD2 LEU 39 -7.748 -9.020 3.188 303 2HD2 LEU 39 2HD2 LEU 39 -8.368 -7.392 3.579 304 3HD2 LEU 39 3HD2 LEU 39 -9.097 -8.828 4.316 305 H ALA 40 H ALA 40 -8.602 -9.152 -1.719 306 HA ALA 40 HA ALA 40 -8.854 -11.885 -1.192 307 1HB ALA 40 1HB ALA 40 -8.158 -10.520 -3.826 308 2HB ALA 40 2HB ALA 40 -8.830 -12.152 -3.642 309 3HB ALA 40 3HB ALA 40 -9.800 -10.740 -3.168 310 H THR 41 H THR 41 -5.917 -10.065 -2.023 311 HA THR 41 HA THR 41 -4.315 -12.581 -1.923 312 HB THR 41 HB THR 41 -2.758 -11.214 -3.508 313 HG1 THR 41 1HG THR 41 -5.303 -10.083 -4.085 314 1HG2 THR 41 1HG2 THR 41 -3.929 -12.110 -5.482 315 2HG2 THR 41 2HG2 THR 41 -3.897 -13.295 -4.166 316 3HG2 THR 41 3HG2 THR 41 -5.389 -12.396 -4.510 317 H ASN 42 H ASN 42 -5.226 -10.508 0.109 318 HA ASN 42 HA ASN 42 -4.495 -8.869 1.472 319 1HB ASN 42 2HB ASN 42 -2.449 -11.067 1.924 320 2HB ASN 42 3HB ASN 42 -2.626 -9.660 2.977 321 1HD2 ASN 42 1HD2 ASN 42 -3.846 -10.014 4.839 322 2HD2 ASN 42 2HD2 ASN 42 -5.163 -11.158 4.872 323 H LYS 43 H LYS 43 -3.879 -7.785 -0.817 324 HA LYS 43 HA LYS 43 -1.026 -6.894 -0.621 325 1HB LYS 43 2HB LYS 43 -0.988 -8.658 -2.132 326 2HB LYS 43 3HB LYS 43 -2.531 -8.198 -2.840 327 1HG LYS 43 2HG LYS 43 -0.426 -6.102 -3.185 328 2HG LYS 43 3HG LYS 43 0.022 -7.654 -3.862 329 1HD LYS 43 2HD LYS 43 -2.671 -6.307 -4.395 330 2HD LYS 43 3HD LYS 43 -1.229 -6.048 -5.393 331 1HE LYS 43 2HE LYS 43 -2.488 -8.764 -4.879 332 2HE LYS 43 3HE LYS 43 -2.877 -7.769 -6.269 333 1HZ LYS 43 1HZ LYS 43 -1.019 -9.586 -6.479 334 2HZ LYS 43 2HZ LYS 43 -0.711 -8.097 -7.119 335 3HZ LYS 43 3HZ LYS 43 -0.089 -8.612 -5.697 336 H ALA 44 H ALA 44 -0.699 -4.819 -0.773 337 HA ALA 44 HA ALA 44 -2.775 -2.932 -1.768 338 1HB ALA 44 1HB ALA 44 -1.261 -1.175 -1.023 339 2HB ALA 44 2HB ALA 44 -1.558 -2.295 0.315 340 3HB ALA 44 3HB ALA 44 -0.033 -2.350 -0.580 341 H HIS 45 H HIS 45 -2.847 -3.307 -3.978 342 HA HIS 45 HA HIS 45 -0.320 -2.921 -5.580 343 1HB HIS 45 2HB HIS 45 -2.026 -4.434 -6.564 344 2HB HIS 45 3HB HIS 45 -3.172 -3.109 -6.511 345 HD1 HIS 45 1HD HIS 45 -0.515 -4.552 -8.776 346 HD2 HIS 45 2HD HIS 45 -2.102 -0.765 -7.872 347 HE1 HIS 45 1HE HIS 45 -0.078 -3.136 -10.752 348 H ILE 46 H ILE 46 0.472 -1.176 -4.783 349 HA ILE 46 HA ILE 46 -1.190 1.268 -5.021 350 HB ILE 46 HB ILE 46 1.401 0.529 -3.674 351 1HG1 ILE 46 2HG1 ILE 46 -1.024 2.217 -2.896 352 2HG1 ILE 46 3HG1 ILE 46 -0.964 0.453 -2.709 353 1HG2 ILE 46 1HG2 ILE 46 1.863 2.922 -3.275 354 2HG2 ILE 46 2HG2 ILE 46 2.058 2.505 -4.972 355 3HG2 ILE 46 3HG2 ILE 46 0.585 3.349 -4.450 356 1HD1 ILE 46 1HD1 ILE 46 -0.432 1.302 -0.607 357 2HD1 ILE 46 2HD1 ILE 46 1.116 0.775 -1.312 358 3HD1 ILE 46 3HD1 ILE 46 0.678 2.510 -1.274 359 H LYS 47 H LYS 47 -0.606 2.888 -6.378 360 HA LYS 47 HA LYS 47 1.404 2.279 -8.454 361 1HB LYS 47 2HB LYS 47 -1.289 3.617 -8.798 362 2HB LYS 47 3HB LYS 47 0.021 3.648 -10.011 363 1HG LYS 47 2HG LYS 47 -0.066 1.128 -10.043 364 2HG LYS 47 3HG LYS 47 -1.471 1.216 -8.964 365 1HD LYS 47 2HD LYS 47 -2.674 2.607 -10.640 366 2HD LYS 47 3HD LYS 47 -1.273 2.492 -11.729 367 1HE LYS 47 2HE LYS 47 -1.523 0.010 -11.787 368 2HE LYS 47 3HE LYS 47 -2.919 0.123 -10.699 369 1HZ LYS 47 1HZ LYS 47 -3.583 -0.094 -12.971 370 2HZ LYS 47 2HZ LYS 47 -4.065 1.369 -12.394 371 3HZ LYS 47 3HZ LYS 47 -2.768 1.266 -13.408 372 H TYR 48 H TYR 48 2.887 4.011 -8.582 373 HA TYR 48 HA TYR 48 2.378 6.578 -7.261 374 1HB TYR 48 2HB TYR 48 3.930 6.355 -5.553 375 2HB TYR 48 3HB TYR 48 2.970 4.893 -5.417 376 HD1 TYR 48 HD1 TYR 48 6.160 6.041 -5.010 377 HD2 TYR 48 HD2 TYR 48 4.125 2.894 -7.143 378 HE1 TYR 48 HE1 TYR 48 8.240 4.736 -5.090 379 HE2 TYR 48 HE2 TYR 48 6.286 1.765 -7.515 380 HH TYR 48 HH TYR 48 8.521 1.716 -6.985 381 H ASP 49 H ASP 49 4.369 8.044 -7.705 382 HA ASP 49 HA ASP 49 6.153 6.877 -9.804 383 1HB ASP 49 2HB ASP 49 6.894 9.196 -10.181 384 2HB ASP 49 3HB ASP 49 5.149 9.007 -10.486 385 HA PRO 50 HA PRO 50 8.976 6.526 -6.336 386 1HB PRO 50 2HB PRO 50 11.366 6.213 -7.604 387 2HB PRO 50 3HB PRO 50 10.088 4.961 -7.638 388 1HG PRO 50 2HG PRO 50 10.660 7.074 -9.737 389 2HG PRO 50 3HG PRO 50 10.452 5.318 -9.992 390 1HD PRO 50 2HD PRO 50 8.404 7.072 -10.360 391 2HD PRO 50 3HD PRO 50 8.106 5.462 -9.637 392 H GLU 51 H GLU 51 9.193 9.056 -8.757 393 HA GLU 51 HA GLU 51 11.460 10.412 -7.782 394 1HB GLU 51 2HB GLU 51 9.072 11.530 -9.315 395 2HB GLU 51 3HB GLU 51 10.695 12.234 -9.204 396 1HG GLU 51 2HG GLU 51 9.984 9.582 -10.560 397 2HG GLU 51 3HG GLU 51 10.396 11.103 -11.347 398 H ILE 52 H ILE 52 7.923 11.010 -7.149 399 HA ILE 52 HA ILE 52 8.719 13.170 -5.293 400 HB ILE 52 HB ILE 52 6.573 13.944 -5.444 401 1HG1 ILE 52 2HG1 ILE 52 5.627 11.315 -6.339 402 2HG1 ILE 52 3HG1 ILE 52 5.034 12.426 -5.131 403 1HG2 ILE 52 1HG2 ILE 52 6.446 14.569 -7.736 404 2HG2 ILE 52 2HG2 ILE 52 8.145 14.282 -7.362 405 3HG2 ILE 52 3HG2 ILE 52 7.227 13.063 -8.258 406 1HD1 ILE 52 1HD1 ILE 52 4.832 12.934 -8.131 407 2HD1 ILE 52 2HD1 ILE 52 3.525 12.392 -7.103 408 3HD1 ILE 52 3HD1 ILE 52 4.226 13.998 -6.833 409 H ILE 53 H ILE 53 7.937 9.832 -5.069 410 HA ILE 53 HA ILE 53 8.008 10.180 -2.200 411 HB ILE 53 HB ILE 53 5.529 10.332 -2.918 412 1HG1 ILE 53 2HG1 ILE 53 6.392 8.245 -0.905 413 2HG1 ILE 53 3HG1 ILE 53 6.351 10.023 -0.724 414 1HG2 ILE 53 1HG2 ILE 53 5.757 7.331 -3.225 415 2HG2 ILE 53 2HG2 ILE 53 4.317 8.339 -3.417 416 3HG2 ILE 53 3HG2 ILE 53 5.615 8.490 -4.599 417 1HD1 ILE 53 1HD1 ILE 53 3.941 10.006 -1.237 418 2HD1 ILE 53 2HD1 ILE 53 3.936 8.233 -1.165 419 3HD1 ILE 53 3HD1 ILE 53 4.357 9.163 0.282 420 H GLY 54 H GLY 54 9.129 8.519 -1.235 421 1HA GLY 54 2HA GLY 54 10.300 6.532 -3.044 422 2HA GLY 54 1HA GLY 54 10.615 6.725 -1.315 423 HA PRO 55 HA PRO 55 7.229 3.402 -2.110 424 1HB PRO 55 2HB PRO 55 8.696 1.082 -2.074 425 2HB PRO 55 3HB PRO 55 8.317 1.984 -3.567 426 1HG PRO 55 2HG PRO 55 10.881 2.070 -1.967 427 2HG PRO 55 3HG PRO 55 10.684 1.935 -3.737 428 1HD PRO 55 2HD PRO 55 11.202 4.323 -2.490 429 2HD PRO 55 3HD PRO 55 10.187 4.225 -3.953 430 H ARG 56 H ARG 56 10.307 3.410 -0.262 431 HA ARG 56 HA ARG 56 9.341 1.937 1.922 432 1HB ARG 56 2HB ARG 56 11.770 2.369 1.427 433 2HB ARG 56 3HB ARG 56 11.526 4.008 2.057 434 1HG ARG 56 2HG ARG 56 12.374 2.785 3.908 435 2HG ARG 56 3HG ARG 56 10.633 2.906 4.169 436 1HD ARG 56 2HD ARG 56 10.576 0.541 3.002 437 2HD ARG 56 3HD ARG 56 12.279 0.488 3.488 438 HE ARG 56 HE ARG 56 10.948 1.268 5.803 439 1HH1 ARG 56 2HH2 ARG 56 10.817 -1.516 3.626 440 2HH1 ARG 56 1HH2 ARG 56 9.852 -2.497 4.699 441 1HH2 ARG 56 2HH1 ARG 56 9.528 -0.132 7.278 442 2HH2 ARG 56 1HH1 ARG 56 8.976 -1.568 6.670 443 H ASP 57 H ASP 57 9.247 5.493 1.352 444 HA ASP 57 HA ASP 57 8.272 6.400 3.694 445 1HB ASP 57 2HB ASP 57 6.972 7.272 1.093 446 2HB ASP 57 3HB ASP 57 7.407 8.252 2.484 447 H ILE 58 H ILE 58 6.353 5.069 1.011 448 HA ILE 58 HA ILE 58 3.796 5.136 2.337 449 HB ILE 58 HB ILE 58 4.889 3.724 -0.126 450 1HG1 ILE 58 2HG1 ILE 58 2.537 5.489 -0.087 451 2HG1 ILE 58 3HG1 ILE 58 4.083 6.268 0.247 452 1HG2 ILE 58 1HG2 ILE 58 2.739 2.884 -0.667 453 2HG2 ILE 58 2HG2 ILE 58 3.331 2.107 0.790 454 3HG2 ILE 58 3HG2 ILE 58 2.083 3.369 0.917 455 1HD1 ILE 58 1HD1 ILE 58 3.623 6.215 -2.224 456 2HD1 ILE 58 2HD1 ILE 58 5.133 5.427 -1.729 457 3HD1 ILE 58 3HD1 ILE 58 3.723 4.445 -2.161 458 H ILE 59 H ILE 59 6.182 2.524 1.798 459 HA ILE 59 HA ILE 59 4.774 0.496 3.132 460 HB ILE 59 HB ILE 59 7.745 0.929 2.876 461 1HG1 ILE 59 2HG1 ILE 59 5.993 -1.164 1.540 462 2HG1 ILE 59 3HG1 ILE 59 6.085 0.463 0.858 463 1HG2 ILE 59 1HG2 ILE 59 6.254 -1.463 3.986 464 2HG2 ILE 59 2HG2 ILE 59 7.921 -1.543 3.428 465 3HG2 ILE 59 3HG2 ILE 59 7.501 -0.511 4.799 466 1HD1 ILE 59 1HD1 ILE 59 8.461 -1.384 1.281 467 2HD1 ILE 59 2HD1 ILE 59 7.659 -0.990 -0.256 468 3HD1 ILE 59 3HD1 ILE 59 8.527 0.267 0.634 469 H HIS 60 H HIS 60 7.141 2.741 4.676 470 HA HIS 60 HA HIS 60 6.973 1.908 7.342 471 1HB HIS 60 2HB HIS 60 7.229 4.695 6.121 472 2HB HIS 60 3HB HIS 60 7.343 4.372 7.851 473 HD1 HIS 60 1HD HIS 60 9.745 5.385 5.733 474 HD2 HIS 60 2HD HIS 60 9.204 1.847 7.917 475 HE1 HIS 60 1HE HIS 60 12.068 4.371 6.078 476 H THR 61 H THR 61 4.881 4.129 5.464 477 HA THR 61 HA THR 61 3.284 4.806 7.757 478 HB THR 61 HB THR 61 2.698 5.112 4.801 479 HG1 THR 61 1HG THR 61 4.527 6.175 5.279 480 1HG2 THR 61 1HG2 THR 61 0.632 5.394 6.130 481 2HG2 THR 61 2HG2 THR 61 1.490 6.442 7.279 482 3HG2 THR 61 3HG2 THR 61 1.220 6.977 5.610 483 H ILE 62 H ILE 62 2.846 2.389 5.115 484 HA ILE 62 HA ILE 62 0.328 1.361 5.987 485 HB ILE 62 HB ILE 62 2.575 0.050 4.437 486 1HG1 ILE 62 2HG1 ILE 62 -0.132 1.155 3.560 487 2HG1 ILE 62 3HG1 ILE 62 1.380 2.071 3.472 488 1HG2 ILE 62 1HG2 ILE 62 -0.307 -0.888 4.846 489 2HG2 ILE 62 2HG2 ILE 62 0.890 -1.614 3.761 490 3HG2 ILE 62 3HG2 ILE 62 1.134 -1.702 5.495 491 1HD1 ILE 62 1HD1 ILE 62 2.352 0.338 2.054 492 2HD1 ILE 62 2HD1 ILE 62 0.751 -0.451 1.930 493 3HD1 ILE 62 3HD1 ILE 62 0.978 1.192 1.322 494 H GLU 63 H GLU 63 3.649 0.057 6.650 495 HA GLU 63 HA GLU 63 2.637 -2.028 8.207 496 1HB GLU 63 2HB GLU 63 4.923 -2.421 8.983 497 2HB GLU 63 3HB GLU 63 4.874 -2.063 7.255 498 1HG GLU 63 2HG GLU 63 5.491 0.326 7.879 499 2HG GLU 63 3HG GLU 63 5.794 -0.249 9.521 500 H SER 64 H SER 64 3.874 1.166 9.178 501 HA SER 64 HA SER 64 3.368 1.147 11.913 502 1HB SER 64 2HB SER 64 4.531 2.923 10.758 503 2HB SER 64 3HB SER 64 3.074 3.401 9.888 504 HG SER 64 HG SER 64 3.511 4.683 11.774 505 H LEU 65 H LEU 65 0.901 2.008 9.301 506 HA LEU 65 HA LEU 65 -1.160 2.499 11.112 507 1HB LEU 65 2HB LEU 65 -1.141 1.441 8.278 508 2HB LEU 65 3HB LEU 65 -2.637 1.817 9.107 509 HG LEU 65 HG LEU 65 -0.459 3.910 9.010 510 1HD1 LEU 65 1HD1 LEU 65 -2.463 3.307 6.810 511 2HD1 LEU 65 2HD1 LEU 65 -1.368 4.716 6.900 512 3HD1 LEU 65 3HD1 LEU 65 -0.695 3.093 6.773 513 1HD2 LEU 65 1HD2 LEU 65 -3.495 4.143 8.999 514 2HD2 LEU 65 2HD2 LEU 65 -2.475 4.270 10.451 515 3HD2 LEU 65 3HD2 LEU 65 -2.314 5.460 9.152 516 H GLY 66 H GLY 66 -0.212 -0.756 9.805 517 1HA GLY 66 2HA GLY 66 -1.487 -1.876 12.148 518 2HA GLY 66 1HA GLY 66 -2.486 -2.182 10.733 519 H PHE 67 H PHE 67 0.886 -2.415 9.876 520 HA PHE 67 HA PHE 67 0.305 -5.347 9.582 521 1HB PHE 67 2HB PHE 67 0.781 -3.439 7.280 522 2HB PHE 67 3HB PHE 67 0.208 -5.097 7.198 523 HD1 PHE 67 HD1 PHE 67 -2.035 -5.472 8.709 524 HD2 PHE 67 HD2 PHE 67 -0.826 -1.689 7.063 525 HE1 PHE 67 HE1 PHE 67 -4.295 -4.551 9.149 526 HE2 PHE 67 HE2 PHE 67 -3.036 -0.760 7.538 527 HZ PHE 67 HZ PHE 67 -4.798 -2.186 8.555 528 H GLU 68 H GLU 68 2.041 -6.386 8.042 529 HA GLU 68 HA GLU 68 4.573 -4.821 8.036 530 1HB GLU 68 2HB GLU 68 4.888 -6.913 9.270 531 2HB GLU 68 3HB GLU 68 4.268 -7.861 7.914 532 1HG GLU 68 2HG GLU 68 6.544 -5.944 7.389 533 2HG GLU 68 3HG GLU 68 6.880 -7.403 8.326 534 H ALA 69 H ALA 69 5.365 -4.511 5.890 535 HA ALA 69 HA ALA 69 3.474 -5.246 3.705 536 1HB ALA 69 1HB ALA 69 4.403 -2.463 4.453 537 2HB ALA 69 2HB ALA 69 3.551 -2.886 2.948 538 3HB ALA 69 3HB ALA 69 2.768 -3.107 4.529 539 H SER 70 H SER 70 4.610 -6.290 2.228 540 HA SER 70 HA SER 70 7.506 -5.587 1.744 541 1HB SER 70 2HB SER 70 5.959 -8.167 1.941 542 2HB SER 70 3HB SER 70 7.444 -8.089 0.990 543 HG SER 70 HG SER 70 7.153 -7.362 3.753 544 H LEU 71 H LEU 71 7.775 -4.636 -0.205 545 HA LEU 71 HA LEU 71 5.997 -4.750 -2.490 546 1HB LEU 71 2HB LEU 71 7.809 -3.658 -3.653 547 2HB LEU 71 3HB LEU 71 7.482 -2.853 -2.131 548 HG LEU 71 HG LEU 71 9.634 -4.873 -1.871 549 1HD1 LEU 71 1HD1 LEU 71 11.315 -3.547 -3.095 550 2HD1 LEU 71 2HD1 LEU 71 10.082 -4.175 -4.201 551 3HD1 LEU 71 3HD1 LEU 71 10.040 -2.468 -3.704 552 1HD2 LEU 71 1HD2 LEU 71 10.770 -3.035 -0.742 553 2HD2 LEU 71 2HD2 LEU 71 9.557 -1.878 -1.317 554 3HD2 LEU 71 3HD2 LEU 71 9.105 -3.144 -0.151 555 H VAL 72 H VAL 72 5.710 -7.107 -2.340 556 HA VAL 72 HA VAL 72 7.554 -8.913 -3.547 557 HB VAL 72 HB VAL 72 5.461 -10.132 -4.257 558 1HG1 VAL 72 1HG1 VAL 72 6.628 -10.660 -2.206 559 2HG1 VAL 72 2HG1 VAL 72 5.795 -9.351 -1.348 560 3HG1 VAL 72 3HG1 VAL 72 4.880 -10.760 -1.937 561 1HG2 VAL 72 1HG2 VAL 72 3.867 -8.252 -4.446 562 2HG2 VAL 72 2HG2 VAL 72 3.307 -9.472 -3.305 563 3HG2 VAL 72 3HG2 VAL 72 3.986 -7.975 -2.692 564 H LYS 73 H LYS 73 5.295 -6.556 -4.953 565 HA LYS 73 HA LYS 73 5.176 -5.598 -6.962 566 1HB LYS 73 2HB LYS 73 7.605 -5.235 -6.617 567 2HB LYS 73 3HB LYS 73 7.934 -6.655 -7.599 568 1HG LYS 73 2HG LYS 73 6.094 -5.112 -9.150 569 2HG LYS 73 3HG LYS 73 7.112 -3.920 -8.359 570 1HD LYS 73 2HD LYS 73 8.138 -4.427 -10.449 571 2HD LYS 73 3HD LYS 73 9.142 -5.188 -9.198 572 1HE LYS 73 2HE LYS 73 7.964 -7.392 -9.664 573 2HE LYS 73 3HE LYS 73 6.999 -6.577 -10.900 574 1HZ LYS 73 1HZ LYS 73 9.916 -6.917 -10.947 575 2HZ LYS 73 2HZ LYS 73 8.821 -7.785 -11.810 576 3HZ LYS 73 3HZ LYS 73 9.016 -6.181 -12.120 577 H ILE 74 H ILE 74 3.639 -6.427 -8.107 578 HA ILE 74 HA ILE 74 2.180 -8.066 -8.459 579 HB ILE 74 HB ILE 74 2.601 -7.058 -10.547 580 1HG1 ILE 74 2HG1 ILE 74 1.628 -8.597 -12.054 581 2HG1 ILE 74 3HG1 ILE 74 2.181 -10.004 -11.155 582 1HG2 ILE 74 1HG2 ILE 74 4.950 -7.495 -10.885 583 2HG2 ILE 74 2HG2 ILE 74 4.650 -9.226 -11.131 584 3HG2 ILE 74 3HG2 ILE 74 4.025 -8.037 -12.289 585 1HD1 ILE 74 1HD1 ILE 74 0.637 -9.504 -9.323 586 2HD1 ILE 74 2HD1 ILE 74 0.202 -7.948 -10.077 587 3HD1 ILE 74 3HD1 ILE 74 -0.245 -9.481 -10.851 588 H GLU 75 H GLU 75 3.032 -9.183 -6.573 589 HA GLU 75 HA GLU 75 2.257 -11.838 -7.475 590 1HB GLU 75 2HB GLU 75 3.404 -11.177 -4.730 591 2HB GLU 75 3HB GLU 75 2.684 -12.707 -5.216 592 1HG GLU 75 2HG GLU 75 5.234 -11.561 -6.471 593 2HG GLU 75 3HG GLU 75 5.217 -12.680 -5.104 Start of MODEL 2 1 1H MET 1 H1 MET 1 5.578 4.690 -16.480 2 2H MET 1 H2 MET 1 6.043 3.826 -17.845 3 3H MET 1 H3 MET 1 6.636 3.467 -16.326 4 HA MET 1 HA MET 1 8.369 4.577 -17.329 5 1HB MET 1 2HB MET 1 6.270 6.642 -18.176 6 2HB MET 1 3HB MET 1 8.029 6.873 -18.274 7 1HG MET 1 2HG MET 1 7.293 6.162 -20.432 8 2HG MET 1 3HG MET 1 8.159 4.812 -19.696 9 1HE MET 1 1HE MET 1 7.328 2.850 -21.071 10 2HE MET 1 2HE MET 1 5.666 2.712 -21.689 11 3HE MET 1 3HE MET 1 6.682 4.087 -22.180 12 H GLY 2 H GLY 2 6.668 7.494 -16.396 13 1HA GLY 2 2HA GLY 2 7.036 7.080 -13.511 14 2HA GLY 2 1HA GLY 2 6.040 8.318 -14.315 15 H ASP 3 H ASP 3 4.552 7.340 -12.554 16 HA ASP 3 HA ASP 3 2.967 5.955 -11.745 17 1HB ASP 3 2HB ASP 3 1.749 6.890 -13.695 18 2HB ASP 3 3HB ASP 3 2.248 5.490 -14.664 19 H GLY 4 H GLY 4 4.992 4.757 -11.169 20 1HA GLY 4 2HA GLY 4 5.487 2.176 -12.507 21 2HA GLY 4 1HA GLY 4 6.293 2.829 -11.068 22 H VAL 5 H VAL 5 4.733 0.210 -11.708 23 HA VAL 5 HA VAL 5 2.560 0.269 -9.754 24 HB VAL 5 HB VAL 5 2.336 -2.103 -10.219 25 1HG1 VAL 5 1HG1 VAL 5 1.269 -0.483 -11.749 26 2HG1 VAL 5 2HG1 VAL 5 2.696 -0.523 -12.804 27 3HG1 VAL 5 3HG1 VAL 5 1.712 -1.982 -12.578 28 1HG2 VAL 5 1HG2 VAL 5 4.776 -1.858 -12.036 29 2HG2 VAL 5 2HG2 VAL 5 4.685 -2.773 -10.514 30 3HG2 VAL 5 3HG2 VAL 5 3.700 -3.261 -11.894 31 H LEU 6 H LEU 6 2.562 -0.845 -7.742 32 HA LEU 6 HA LEU 6 5.116 -1.909 -6.720 33 1HB LEU 6 2HB LEU 6 5.321 0.456 -6.290 34 2HB LEU 6 3HB LEU 6 3.673 0.562 -5.672 35 HG LEU 6 HG LEU 6 4.284 -0.773 -3.701 36 1HD1 LEU 6 1HD1 LEU 6 5.976 -2.274 -4.595 37 2HD1 LEU 6 2HD1 LEU 6 7.026 -0.907 -5.037 38 3HD1 LEU 6 3HD1 LEU 6 6.731 -1.288 -3.332 39 1HD2 LEU 6 1HD2 LEU 6 6.284 1.467 -4.204 40 2HD2 LEU 6 2HD2 LEU 6 4.605 1.684 -3.668 41 3HD2 LEU 6 3HD2 LEU 6 5.765 0.843 -2.625 42 H GLU 7 H GLU 7 4.378 -3.898 -6.044 43 HA GLU 7 HA GLU 7 1.808 -3.967 -4.564 44 1HB GLU 7 2HB GLU 7 3.242 -6.267 -5.809 45 2HB GLU 7 3HB GLU 7 1.721 -6.287 -4.897 46 1HG GLU 7 2HG GLU 7 1.076 -4.348 -6.670 47 2HG GLU 7 3HG GLU 7 2.441 -5.096 -7.504 48 H LEU 8 H LEU 8 1.909 -3.902 -2.510 49 HA LEU 8 HA LEU 8 4.224 -5.133 -1.105 50 1HB LEU 8 2HB LEU 8 2.183 -3.126 -0.073 51 2HB LEU 8 3HB LEU 8 3.599 -3.734 0.791 52 HG LEU 8 HG LEU 8 3.658 -2.062 -1.777 53 1HD1 LEU 8 1HD1 LEU 8 4.311 -1.286 1.085 54 2HD1 LEU 8 2HD1 LEU 8 4.541 -0.274 -0.354 55 3HD1 LEU 8 3HD1 LEU 8 2.910 -0.759 0.125 56 1HD2 LEU 8 1HD2 LEU 8 6.125 -1.879 -1.158 57 2HD2 LEU 8 2HD2 LEU 8 5.856 -3.229 -0.029 58 3HD2 LEU 8 3HD2 LEU 8 5.613 -3.452 -1.774 59 H VAL 9 H VAL 9 3.758 -7.098 -0.055 60 HA VAL 9 HA VAL 9 0.997 -7.920 0.187 61 HB VAL 9 HB VAL 9 2.545 -9.612 -0.262 62 1HG1 VAL 9 1HG1 VAL 9 4.133 -10.528 1.303 63 2HG1 VAL 9 2HG1 VAL 9 4.546 -8.842 0.989 64 3HG1 VAL 9 3HG1 VAL 9 3.757 -9.301 2.514 65 1HG2 VAL 9 1HG2 VAL 9 0.475 -10.160 0.904 66 2HG2 VAL 9 2HG2 VAL 9 1.782 -11.251 1.381 67 3HG2 VAL 9 3HG2 VAL 9 1.277 -9.951 2.476 68 H VAL 10 H VAL 10 -0.193 -6.784 1.498 69 HA VAL 10 HA VAL 10 0.751 -5.595 4.034 70 HB VAL 10 HB VAL 10 -1.929 -5.606 2.624 71 1HG1 VAL 10 1HG1 VAL 10 -2.675 -4.056 4.186 72 2HG1 VAL 10 2HG1 VAL 10 -1.741 -5.108 5.236 73 3HG1 VAL 10 3HG1 VAL 10 -1.045 -3.572 4.689 74 1HG2 VAL 10 1HG2 VAL 10 -0.446 -4.410 1.214 75 2HG2 VAL 10 2HG2 VAL 10 -1.334 -3.193 2.149 76 3HG2 VAL 10 3HG2 VAL 10 0.339 -3.606 2.589 77 H ARG 11 H ARG 11 1.333 -7.697 4.817 78 HA ARG 11 HA ARG 11 -0.747 -9.700 5.333 79 1HB ARG 11 2HB ARG 11 1.254 -10.457 6.970 80 2HB ARG 11 3HB ARG 11 1.196 -10.868 5.251 81 1HG ARG 11 2HG ARG 11 2.741 -9.142 4.680 82 2HG ARG 11 3HG ARG 11 2.593 -8.407 6.292 83 1HD ARG 11 2HD ARG 11 3.695 -10.375 7.279 84 2HD ARG 11 3HD ARG 11 3.831 -11.128 5.680 85 HE ARG 11 HE ARG 11 4.951 -8.598 5.374 86 1HH1 ARG 11 2HH2 ARG 11 5.532 -10.380 8.259 87 2HH1 ARG 11 1HH2 ARG 11 7.242 -10.495 8.103 88 1HH2 ARG 11 2HH1 ARG 11 7.268 -8.493 5.142 89 2HH2 ARG 11 1HH1 ARG 11 8.241 -9.119 6.439 90 H GLY 12 H GLY 12 -2.262 -9.335 6.770 91 1HA GLY 12 2HA GLY 12 -2.352 -9.413 9.331 92 2HA GLY 12 1HA GLY 12 -1.743 -7.760 9.268 93 H MET 13 H MET 13 -3.562 -7.778 6.566 94 HA MET 13 HA MET 13 -5.770 -6.362 7.703 95 1HB MET 13 2HB MET 13 -5.693 -7.834 5.049 96 2HB MET 13 3HB MET 13 -6.744 -6.484 5.486 97 1HG MET 13 2HG MET 13 -4.999 -4.911 5.266 98 2HG MET 13 3HG MET 13 -3.734 -6.124 5.433 99 1HE MET 13 1HE MET 13 -6.920 -6.436 3.238 100 2HE MET 13 2HE MET 13 -6.471 -4.718 3.108 101 3HE MET 13 3HE MET 13 -6.364 -5.789 1.684 102 H THR 14 H THR 14 -7.943 -7.067 8.075 103 HA THR 14 HA THR 14 -8.718 -9.792 7.309 104 HB THR 14 HB THR 14 -7.500 -10.188 9.403 105 HG1 THR 14 1HG THR 14 -10.301 -10.448 9.507 106 1HG2 THR 14 1HG2 THR 14 -7.753 -7.997 10.503 107 2HG2 THR 14 2HG2 THR 14 -9.498 -8.286 10.710 108 3HG2 THR 14 3HG2 THR 14 -8.316 -9.313 11.542 109 H CYS 15 H CYS 15 -9.660 -6.796 6.933 110 HA CYS 15 HA CYS 15 -12.462 -7.357 7.028 111 1HB CYS 15 2HB CYS 15 -12.176 -7.087 9.482 112 2HB CYS 15 3HB CYS 15 -11.356 -5.542 9.219 113 HG CYS 15 HG CYS 15 -13.745 -5.129 10.137 114 H ALA 16 H ALA 16 -13.687 -5.686 6.076 115 HA ALA 16 HA ALA 16 -12.730 -4.047 4.097 116 1HB ALA 16 1HB ALA 16 -14.876 -2.869 4.276 117 2HB ALA 16 2HB ALA 16 -15.082 -4.625 4.418 118 3HB ALA 16 3HB ALA 16 -15.156 -3.600 5.870 119 H SER 17 H SER 17 -13.094 -3.243 7.538 120 HA SER 17 HA SER 17 -12.369 -0.508 7.486 121 1HB SER 17 2HB SER 17 -11.724 -0.913 9.844 122 2HB SER 17 3HB SER 17 -13.310 -1.587 9.419 123 HG SER 17 HG SER 17 -11.943 -3.560 8.861 124 H CYS 18 H CYS 18 -10.099 -3.072 8.649 125 HA CYS 18 HA CYS 18 -7.699 -1.918 8.351 126 1HB CYS 18 2HB CYS 18 -8.343 -4.747 7.347 127 2HB CYS 18 3HB CYS 18 -6.742 -4.144 7.794 128 HG CYS 18 HG CYS 18 -7.310 -3.655 10.284 129 H VAL 19 H VAL 19 -9.528 -3.412 5.689 130 HA VAL 19 HA VAL 19 -7.748 -2.858 3.634 131 HB VAL 19 HB VAL 19 -10.710 -3.233 3.803 132 1HG1 VAL 19 1HG1 VAL 19 -10.684 -1.735 1.936 133 2HG1 VAL 19 2HG1 VAL 19 -9.281 -2.565 1.220 134 3HG1 VAL 19 3HG1 VAL 19 -10.860 -3.375 1.329 135 1HG2 VAL 19 1HG2 VAL 19 -10.331 -5.291 2.750 136 2HG2 VAL 19 2HG2 VAL 19 -8.690 -4.836 2.267 137 3HG2 VAL 19 3HG2 VAL 19 -9.069 -5.143 3.985 138 H HIS 20 H HIS 20 -10.698 -0.864 4.273 139 HA HIS 20 HA HIS 20 -9.751 1.062 2.435 140 1HB HIS 20 2HB HIS 20 -11.721 2.074 2.539 141 2HB HIS 20 3HB HIS 20 -12.133 0.431 3.021 142 HD1 HIS 20 1HD HIS 20 -14.064 2.807 3.584 143 HD2 HIS 20 2HD HIS 20 -11.217 1.342 6.297 144 HE1 HIS 20 1HE HIS 20 -14.856 3.430 5.932 145 H LYS 21 H LYS 21 -9.162 0.754 5.809 146 HA LYS 21 HA LYS 21 -8.478 3.381 6.532 147 1HB LYS 21 2HB LYS 21 -8.633 1.464 8.091 148 2HB LYS 21 3HB LYS 21 -7.236 0.706 7.325 149 1HG LYS 21 2HG LYS 21 -6.611 1.705 9.423 150 2HG LYS 21 3HG LYS 21 -5.777 2.543 8.109 151 1HD LYS 21 2HD LYS 21 -7.320 4.419 8.236 152 2HD LYS 21 3HD LYS 21 -8.383 3.526 9.351 153 1HE LYS 21 2HE LYS 21 -6.546 3.513 11.057 154 2HE LYS 21 3HE LYS 21 -5.527 4.446 9.949 155 1HZ LYS 21 1HZ LYS 21 -8.082 5.356 11.090 156 2HZ LYS 21 2HZ LYS 21 -6.583 5.842 11.554 157 3HZ LYS 21 3HZ LYS 21 -7.136 6.219 10.054 158 H ILE 22 H ILE 22 -6.595 0.823 4.841 159 HA ILE 22 HA ILE 22 -4.114 2.277 4.823 160 HB ILE 22 HB ILE 22 -5.164 0.047 3.047 161 1HG1 ILE 22 2HG1 ILE 22 -3.080 -0.155 5.252 162 2HG1 ILE 22 3HG1 ILE 22 -4.802 -0.282 5.621 163 1HG2 ILE 22 1HG2 ILE 22 -2.736 -0.308 2.460 164 2HG2 ILE 22 2HG2 ILE 22 -3.374 1.212 1.849 165 3HG2 ILE 22 3HG2 ILE 22 -2.357 1.204 3.306 166 1HD1 ILE 22 1HD1 ILE 22 -5.079 -2.138 4.055 167 2HD1 ILE 22 2HD1 ILE 22 -3.345 -2.058 3.669 168 3HD1 ILE 22 3HD1 ILE 22 -3.883 -2.490 5.311 169 H GLU 23 H GLU 23 -6.533 1.680 2.226 170 HA GLU 23 HA GLU 23 -5.504 3.394 0.276 171 1HB GLU 23 2HB GLU 23 -8.337 2.558 0.996 172 2HB GLU 23 3HB GLU 23 -7.975 3.486 -0.465 173 1HG GLU 23 2HG GLU 23 -6.656 1.800 -1.412 174 2HG GLU 23 3HG GLU 23 -6.447 0.920 0.113 175 H SER 24 H SER 24 -8.100 4.207 2.619 176 HA SER 24 HA SER 24 -8.337 6.917 1.971 177 1HB SER 24 2HB SER 24 -9.922 5.625 3.389 178 2HB SER 24 3HB SER 24 -8.727 5.579 4.696 179 HG SER 24 HG SER 24 -9.867 7.926 3.557 180 H SER 25 H SER 25 -6.098 5.383 4.371 181 HA SER 25 HA SER 25 -4.964 7.863 5.247 182 1HB SER 25 2HB SER 25 -4.750 5.678 6.430 183 2HB SER 25 3HB SER 25 -3.631 5.122 5.175 184 HG SER 25 HG SER 25 -2.260 6.869 5.788 185 H LEU 26 H LEU 26 -3.633 5.489 2.816 186 HA LEU 26 HA LEU 26 -1.434 7.234 2.472 187 1HB LEU 26 2HB LEU 26 -2.246 5.136 0.459 188 2HB LEU 26 3HB LEU 26 -0.640 5.869 0.740 189 HG LEU 26 HG LEU 26 -2.009 4.159 2.839 190 1HD1 LEU 26 1HD1 LEU 26 -0.076 3.382 0.637 191 2HD1 LEU 26 2HD1 LEU 26 -0.548 2.354 2.012 192 3HD1 LEU 26 3HD1 LEU 26 -1.759 2.850 0.816 193 1HD2 LEU 26 1HD2 LEU 26 -0.252 5.637 3.680 194 2HD2 LEU 26 2HD2 LEU 26 0.295 3.952 3.694 195 3HD2 LEU 26 3HD2 LEU 26 0.872 5.064 2.431 196 H THR 27 H THR 27 -4.505 6.969 0.685 197 HA THR 27 HA THR 27 -3.715 8.587 -1.528 198 HB THR 27 HB THR 27 -6.151 8.998 -1.803 199 HG1 THR 27 1HG THR 27 -6.417 7.355 0.481 200 1HG2 THR 27 1HG2 THR 27 -6.750 6.638 -2.221 201 2HG2 THR 27 2HG2 THR 27 -5.152 7.075 -2.851 202 3HG2 THR 27 3HG2 THR 27 -5.283 6.114 -1.371 203 H LYS 28 H LYS 28 -3.966 9.548 1.780 204 HA LYS 28 HA LYS 28 -4.551 12.338 1.388 205 1HB LYS 28 2HB LYS 28 -2.772 10.948 3.424 206 2HB LYS 28 3HB LYS 28 -3.333 12.604 3.539 207 1HG LYS 28 2HG LYS 28 -5.350 10.349 3.270 208 2HG LYS 28 3HG LYS 28 -4.574 10.601 4.813 209 1HD LYS 28 2HD LYS 28 -6.070 12.768 3.243 210 2HD LYS 28 3HD LYS 28 -6.841 11.699 4.426 211 1HE LYS 28 2HE LYS 28 -5.317 12.528 6.211 212 2HE LYS 28 3HE LYS 28 -4.554 13.637 5.064 213 1HZ LYS 28 1HZ LYS 28 -7.383 13.707 5.865 214 2HZ LYS 28 2HZ LYS 28 -6.202 14.735 6.370 215 3HZ LYS 28 3HZ LYS 28 -6.663 14.731 4.793 216 H HIS 29 H HIS 29 -1.598 10.330 0.993 217 HA HIS 29 HA HIS 29 0.185 12.635 0.780 218 1HB HIS 29 2HB HIS 29 0.698 9.903 -0.348 219 2HB HIS 29 3HB HIS 29 1.877 11.062 0.151 220 HD1 HIS 29 1HD HIS 29 2.050 11.244 3.037 221 HD2 HIS 29 2HD HIS 29 0.300 7.909 1.194 222 HE1 HIS 29 1HE HIS 29 2.139 9.264 4.692 223 H ARG 30 H ARG 30 0.314 13.882 -1.065 224 HA ARG 30 HA ARG 30 -0.953 13.087 -3.572 225 1HB ARG 30 2HB ARG 30 -0.843 15.450 -2.606 226 2HB ARG 30 3HB ARG 30 0.874 15.470 -3.045 227 1HG ARG 30 2HG ARG 30 0.206 15.067 -5.443 228 2HG ARG 30 3HG ARG 30 -1.491 15.067 -4.941 229 1HD ARG 30 2HD ARG 30 -1.184 17.445 -4.107 230 2HD ARG 30 3HD ARG 30 0.503 17.354 -4.592 231 HE ARG 30 HE ARG 30 -0.021 17.719 -6.763 232 1HH1 ARG 30 2HH2 ARG 30 -2.962 16.768 -5.090 233 2HH1 ARG 30 1HH2 ARG 30 -4.048 17.170 -6.386 234 1HH2 ARG 30 2HH1 ARG 30 -1.410 18.252 -8.535 235 2HH2 ARG 30 1HH1 ARG 30 -3.122 18.025 -8.409 236 H GLY 31 H GLY 31 0.591 11.110 -3.077 237 1HA GLY 31 2HA GLY 31 3.102 11.292 -4.698 238 2HA GLY 31 1HA GLY 31 3.058 10.595 -3.071 239 H ILE 32 H ILE 32 0.553 9.287 -3.131 240 HA ILE 32 HA ILE 32 1.200 6.929 -4.737 241 HB ILE 32 HB ILE 32 -1.014 7.597 -2.732 242 1HG1 ILE 32 2HG1 ILE 32 0.052 5.619 -1.537 243 2HG1 ILE 32 3HG1 ILE 32 1.415 5.716 -2.668 244 1HG2 ILE 32 1HG2 ILE 32 -0.502 5.025 -4.204 245 2HG2 ILE 32 2HG2 ILE 32 -1.661 5.258 -2.879 246 3HG2 ILE 32 3HG2 ILE 32 -1.933 6.080 -4.422 247 1HD1 ILE 32 1HD1 ILE 32 0.376 7.979 -0.982 248 2HD1 ILE 32 2HD1 ILE 32 1.657 6.908 -0.397 249 3HD1 ILE 32 3HD1 ILE 32 1.962 7.949 -1.794 250 H LEU 33 H LEU 33 0.492 6.703 -6.780 251 HA LEU 33 HA LEU 33 -1.474 8.648 -7.885 252 1HB LEU 33 2HB LEU 33 0.339 6.581 -9.197 253 2HB LEU 33 3HB LEU 33 -0.724 7.696 -10.058 254 HG LEU 33 HG LEU 33 1.553 8.602 -8.226 255 1HD1 LEU 33 1HD1 LEU 33 2.763 9.094 -10.333 256 2HD1 LEU 33 2HD1 LEU 33 2.453 7.368 -10.106 257 3HD1 LEU 33 3HD1 LEU 33 1.468 8.300 -11.254 258 1HD2 LEU 33 1HD2 LEU 33 -0.156 10.346 -8.489 259 2HD2 LEU 33 2HD2 LEU 33 1.269 10.762 -9.441 260 3HD2 LEU 33 3HD2 LEU 33 -0.166 10.104 -10.252 261 H TYR 34 H TYR 34 -1.192 5.231 -6.922 262 HA TYR 34 HA TYR 34 -4.091 5.175 -7.105 263 1HB TYR 34 2HB TYR 34 -3.177 4.440 -9.417 264 2HB TYR 34 3HB TYR 34 -2.467 3.061 -8.567 265 HD1 TYR 34 HD1 TYR 34 -3.785 1.120 -8.170 266 HD2 TYR 34 HD2 TYR 34 -5.698 4.874 -9.081 267 HE1 TYR 34 HE1 TYR 34 -5.980 0.032 -8.033 268 HE2 TYR 34 HE2 TYR 34 -7.899 3.825 -8.799 269 HH TYR 34 HH TYR 34 -8.241 0.507 -7.605 270 H CYS 35 H CYS 35 -4.957 3.355 -5.851 271 HA CYS 35 HA CYS 35 -3.121 1.510 -4.531 272 1HB CYS 35 2HB CYS 35 -3.085 3.430 -2.953 273 2HB CYS 35 3HB CYS 35 -4.864 3.336 -2.855 274 HG CYS 35 HG CYS 35 -4.014 2.147 -0.767 275 H SER 36 H SER 36 -4.174 -0.421 -4.637 276 HA SER 36 HA SER 36 -6.920 -0.378 -3.629 277 1HB SER 36 2HB SER 36 -6.238 -1.839 -6.200 278 2HB SER 36 3HB SER 36 -7.697 -2.117 -5.223 279 HG SER 36 HG SER 36 -7.364 0.521 -5.581 280 H VAL 37 H VAL 37 -6.827 -1.596 -1.864 281 HA VAL 37 HA VAL 37 -4.713 -3.675 -1.729 282 HB VAL 37 HB VAL 37 -4.640 -1.767 -0.118 283 1HG1 VAL 37 1HG1 VAL 37 -6.866 -3.195 1.360 284 2HG1 VAL 37 2HG1 VAL 37 -5.958 -1.763 1.847 285 3HG1 VAL 37 3HG1 VAL 37 -7.062 -1.669 0.472 286 1HG2 VAL 37 1HG2 VAL 37 -3.318 -3.714 0.195 287 2HG2 VAL 37 2HG2 VAL 37 -4.023 -3.309 1.764 288 3HG2 VAL 37 3HG2 VAL 37 -4.680 -4.648 0.789 289 H ALA 38 H ALA 38 -5.338 -5.541 -2.476 290 HA ALA 38 HA ALA 38 -8.167 -6.377 -2.138 291 1HB ALA 38 1HB ALA 38 -5.862 -7.418 -3.800 292 2HB ALA 38 2HB ALA 38 -7.472 -8.178 -3.709 293 3HB ALA 38 3HB ALA 38 -7.291 -6.535 -4.359 294 H LEU 39 H LEU 39 -8.281 -6.937 0.017 295 HA LEU 39 HA LEU 39 -6.501 -8.335 1.570 296 1HB LEU 39 2HB LEU 39 -8.191 -8.682 3.096 297 2HB LEU 39 3HB LEU 39 -8.750 -7.296 2.172 298 HG LEU 39 HG LEU 39 -10.073 -9.169 0.780 299 1HD1 LEU 39 1HD1 LEU 39 -10.892 -10.948 2.303 300 2HD1 LEU 39 2HD1 LEU 39 -9.145 -11.118 2.126 301 3HD1 LEU 39 3HD1 LEU 39 -9.811 -10.378 3.587 302 1HD2 LEU 39 1HD2 LEU 39 -10.874 -8.070 3.500 303 2HD2 LEU 39 2HD2 LEU 39 -11.128 -7.308 1.910 304 3HD2 LEU 39 3HD2 LEU 39 -11.989 -8.796 2.321 305 H ALA 40 H ALA 40 -8.526 -9.663 -0.967 306 HA ALA 40 HA ALA 40 -8.497 -12.415 -0.294 307 1HB ALA 40 1HB ALA 40 -8.459 -11.095 -3.043 308 2HB ALA 40 2HB ALA 40 -8.926 -12.771 -2.695 309 3HB ALA 40 3HB ALA 40 -9.914 -11.432 -2.070 310 H THR 41 H THR 41 -6.018 -10.328 -1.646 311 HA THR 41 HA THR 41 -4.125 -12.621 -1.891 312 HB THR 41 HB THR 41 -4.613 -11.970 -4.074 313 HG1 THR 41 1HG THR 41 -2.230 -10.943 -3.082 314 1HG2 THR 41 1HG2 THR 41 -5.878 -9.962 -3.781 315 2HG2 THR 41 2HG2 THR 41 -4.413 -9.068 -3.316 316 3HG2 THR 41 3HG2 THR 41 -4.612 -9.723 -4.963 317 H ASN 42 H ASN 42 -4.990 -10.471 0.253 318 HA ASN 42 HA ASN 42 -4.135 -8.790 1.531 319 1HB ASN 42 2HB ASN 42 -2.383 -11.212 1.789 320 2HB ASN 42 3HB ASN 42 -1.842 -9.763 2.622 321 1HD2 ASN 42 1HD2 ASN 42 -3.180 -8.712 4.221 322 2HD2 ASN 42 2HD2 ASN 42 -4.402 -9.689 5.057 323 H LYS 43 H LYS 43 -3.646 -8.068 -1.117 324 HA LYS 43 HA LYS 43 -0.826 -7.042 -1.052 325 1HB LYS 43 2HB LYS 43 -0.638 -8.635 -2.602 326 2HB LYS 43 3HB LYS 43 -2.305 -8.558 -3.123 327 1HG LYS 43 2HG LYS 43 -0.531 -6.195 -3.766 328 2HG LYS 43 3HG LYS 43 -0.280 -7.686 -4.634 329 1HD LYS 43 2HD LYS 43 -3.103 -6.584 -4.382 330 2HD LYS 43 3HD LYS 43 -1.976 -5.910 -5.571 331 1HE LYS 43 2HE LYS 43 -2.614 -8.864 -5.351 332 2HE LYS 43 3HE LYS 43 -3.562 -7.759 -6.359 333 1HZ LYS 43 1HZ LYS 43 -1.498 -7.243 -7.572 334 2HZ LYS 43 2HZ LYS 43 -0.665 -8.262 -6.724 335 3HZ LYS 43 3HZ LYS 43 -1.867 -8.857 -7.685 336 H ALA 44 H ALA 44 -0.468 -4.982 -1.469 337 HA ALA 44 HA ALA 44 -2.749 -3.102 -2.064 338 1HB ALA 44 1HB ALA 44 -1.129 -1.370 -1.368 339 2HB ALA 44 2HB ALA 44 -1.502 -2.456 -0.031 340 3HB ALA 44 3HB ALA 44 0.031 -2.625 -0.902 341 H HIS 45 H HIS 45 -2.971 -3.234 -4.236 342 HA HIS 45 HA HIS 45 -0.530 -3.000 -5.950 343 1HB HIS 45 2HB HIS 45 -2.624 -4.194 -6.761 344 2HB HIS 45 3HB HIS 45 -3.431 -2.619 -6.734 345 HD1 HIS 45 1HD HIS 45 -0.889 -4.632 -8.704 346 HD2 HIS 45 2HD HIS 45 -2.180 -0.682 -8.245 347 HE1 HIS 45 1HE HIS 45 0.013 -3.373 -10.713 348 H ILE 46 H ILE 46 0.429 -1.244 -5.053 349 HA ILE 46 HA ILE 46 -0.994 1.347 -5.140 350 HB ILE 46 HB ILE 46 1.737 0.448 -4.227 351 1HG1 ILE 46 2HG1 ILE 46 -0.059 2.183 -2.580 352 2HG1 ILE 46 3HG1 ILE 46 -0.660 0.548 -2.877 353 1HG2 ILE 46 1HG2 ILE 46 0.806 3.299 -4.641 354 2HG2 ILE 46 2HG2 ILE 46 2.174 2.837 -3.616 355 3HG2 ILE 46 3HG2 ILE 46 2.229 2.511 -5.349 356 1HD1 ILE 46 1HD1 ILE 46 2.139 1.115 -1.878 357 2HD1 ILE 46 2HD1 ILE 46 0.749 0.699 -0.836 358 3HD1 ILE 46 3HD1 ILE 46 1.345 -0.466 -2.045 359 H LYS 47 H LYS 47 -0.360 2.890 -6.672 360 HA LYS 47 HA LYS 47 1.852 2.128 -8.402 361 1HB LYS 47 2HB LYS 47 -0.533 3.599 -9.533 362 2HB LYS 47 3HB LYS 47 0.973 3.120 -10.363 363 1HG LYS 47 2HG LYS 47 0.375 0.721 -9.868 364 2HG LYS 47 3HG LYS 47 -1.210 1.263 -9.350 365 1HD LYS 47 2HD LYS 47 0.016 1.700 -12.129 366 2HD LYS 47 3HD LYS 47 -1.138 0.438 -11.680 367 1HE LYS 47 2HE LYS 47 -2.571 1.984 -12.616 368 2HE LYS 47 3HE LYS 47 -2.686 2.406 -10.908 369 1HZ LYS 47 1HZ LYS 47 -2.364 4.414 -12.124 370 2HZ LYS 47 2HZ LYS 47 -0.840 4.136 -11.553 371 3HZ LYS 47 3HZ LYS 47 -1.162 3.787 -13.046 372 H TYR 48 H TYR 48 3.256 3.963 -8.734 373 HA TYR 48 HA TYR 48 2.628 6.527 -7.473 374 1HB TYR 48 2HB TYR 48 4.016 6.385 -5.630 375 2HB TYR 48 3HB TYR 48 3.161 4.858 -5.570 376 HD1 TYR 48 HD1 TYR 48 4.555 2.942 -7.171 377 HD2 TYR 48 HD2 TYR 48 6.254 6.282 -5.033 378 HE1 TYR 48 HE1 TYR 48 6.789 1.910 -7.305 379 HE2 TYR 48 HE2 TYR 48 8.415 5.112 -4.929 380 HH TYR 48 HH TYR 48 8.961 1.980 -6.569 381 H ASP 49 H ASP 49 4.872 7.804 -7.377 382 HA ASP 49 HA ASP 49 6.601 6.954 -9.636 383 1HB ASP 49 2HB ASP 49 5.075 9.415 -9.429 384 2HB ASP 49 3HB ASP 49 6.810 9.772 -9.406 385 HA PRO 50 HA PRO 50 9.344 6.942 -6.130 386 1HB PRO 50 2HB PRO 50 11.622 6.021 -7.259 387 2HB PRO 50 3HB PRO 50 10.138 5.036 -7.199 388 1HG PRO 50 2HG PRO 50 11.071 6.774 -9.508 389 2HG PRO 50 3HG PRO 50 10.642 5.036 -9.564 390 1HD PRO 50 2HD PRO 50 8.837 6.966 -10.192 391 2HD PRO 50 3HD PRO 50 8.338 5.513 -9.269 392 H GLU 51 H GLU 51 8.854 9.380 -6.465 393 HA GLU 51 HA GLU 51 11.244 10.869 -5.998 394 1HB GLU 51 2HB GLU 51 10.992 12.513 -7.871 395 2HB GLU 51 3HB GLU 51 11.633 10.942 -8.342 396 1HG GLU 51 2HG GLU 51 9.511 10.286 -9.342 397 2HG GLU 51 3HG GLU 51 8.726 11.766 -8.753 398 H ILE 52 H ILE 52 7.774 10.982 -6.899 399 HA ILE 52 HA ILE 52 7.306 13.379 -5.277 400 HB ILE 52 HB ILE 52 4.935 12.918 -5.666 401 1HG1 ILE 52 2HG1 ILE 52 5.860 10.595 -7.407 402 2HG1 ILE 52 3HG1 ILE 52 4.978 10.445 -5.884 403 1HG2 ILE 52 1HG2 ILE 52 6.547 12.856 -8.252 404 2HG2 ILE 52 2HG2 ILE 52 4.961 13.612 -7.989 405 3HG2 ILE 52 3HG2 ILE 52 6.393 14.284 -7.209 406 1HD1 ILE 52 1HD1 ILE 52 3.979 11.640 -8.500 407 2HD1 ILE 52 2HD1 ILE 52 3.411 10.188 -7.676 408 3HD1 ILE 52 3HD1 ILE 52 3.095 11.783 -6.963 409 H ILE 53 H ILE 53 7.304 9.838 -4.944 410 HA ILE 53 HA ILE 53 7.623 10.278 -2.125 411 HB ILE 53 HB ILE 53 5.092 10.101 -2.573 412 1HG1 ILE 53 2HG1 ILE 53 6.374 8.158 -0.668 413 2HG1 ILE 53 3HG1 ILE 53 6.190 9.920 -0.479 414 1HG2 ILE 53 1HG2 ILE 53 4.097 7.933 -2.946 415 2HG2 ILE 53 2HG2 ILE 53 5.255 8.234 -4.245 416 3HG2 ILE 53 3HG2 ILE 53 5.675 7.132 -2.896 417 1HD1 ILE 53 1HD1 ILE 53 4.424 8.800 0.782 418 2HD1 ILE 53 2HD1 ILE 53 3.694 9.616 -0.620 419 3HD1 ILE 53 3HD1 ILE 53 3.958 7.855 -0.641 420 H GLY 54 H GLY 54 8.687 8.442 -1.123 421 1HA GLY 54 2HA GLY 54 9.952 6.615 -3.097 422 2HA GLY 54 1HA GLY 54 10.442 6.897 -1.428 423 HA PRO 55 HA PRO 55 7.547 3.149 -1.711 424 1HB PRO 55 2HB PRO 55 9.325 1.065 -1.582 425 2HB PRO 55 3HB PRO 55 8.775 1.818 -3.105 426 1HG PRO 55 2HG PRO 55 11.345 2.344 -1.620 427 2HG PRO 55 3HG PRO 55 11.110 2.100 -3.373 428 1HD PRO 55 2HD PRO 55 11.330 4.602 -2.246 429 2HD PRO 55 3HD PRO 55 10.296 4.279 -3.665 430 H ARG 56 H ARG 56 10.614 3.526 0.111 431 HA ARG 56 HA ARG 56 10.075 2.159 2.517 432 1HB ARG 56 2HB ARG 56 11.624 4.705 1.891 433 2HB ARG 56 3HB ARG 56 11.445 4.096 3.531 434 1HG ARG 56 2HG ARG 56 13.526 3.341 2.751 435 2HG ARG 56 3HG ARG 56 12.459 1.941 2.924 436 1HD ARG 56 2HD ARG 56 12.138 1.842 0.505 437 2HD ARG 56 3HD ARG 56 13.051 3.374 0.304 438 HE ARG 56 HE ARG 56 14.560 1.330 1.690 439 1HH1 ARG 56 2HH2 ARG 56 13.585 2.371 -1.534 440 2HH1 ARG 56 1HH2 ARG 56 14.914 1.623 -2.363 441 1HH2 ARG 56 2HH1 ARG 56 16.349 0.325 0.631 442 2HH2 ARG 56 1HH1 ARG 56 16.525 0.429 -1.089 443 H ASP 57 H ASP 57 9.132 5.411 1.507 444 HA ASP 57 HA ASP 57 8.039 6.416 3.820 445 1HB ASP 57 2HB ASP 57 6.760 6.939 1.126 446 2HB ASP 57 3HB ASP 57 7.054 8.063 2.441 447 H ILE 58 H ILE 58 6.362 4.771 1.124 448 HA ILE 58 HA ILE 58 3.812 4.637 2.417 449 HB ILE 58 HB ILE 58 4.908 2.991 0.091 450 1HG1 ILE 58 2HG1 ILE 58 2.824 5.088 -0.200 451 2HG1 ILE 58 3HG1 ILE 58 4.478 5.677 0.051 452 1HG2 ILE 58 1HG2 ILE 58 3.080 1.757 1.007 453 2HG2 ILE 58 2HG2 ILE 58 2.158 3.237 1.349 454 3HG2 ILE 58 3HG2 ILE 58 2.391 2.702 -0.323 455 1HD1 ILE 58 1HD1 ILE 58 3.697 3.668 -2.087 456 2HD1 ILE 58 2HD1 ILE 58 3.937 5.409 -2.354 457 3HD1 ILE 58 3HD1 ILE 58 5.299 4.394 -1.833 458 H ILE 59 H ILE 59 6.446 2.255 2.025 459 HA ILE 59 HA ILE 59 5.405 0.018 3.356 460 HB ILE 59 HB ILE 59 8.190 1.215 3.458 461 1HG1 ILE 59 2HG1 ILE 59 7.148 0.373 1.212 462 2HG1 ILE 59 3HG1 ILE 59 8.816 -0.008 1.654 463 1HG2 ILE 59 1HG2 ILE 59 9.011 -1.033 4.129 464 2HG2 ILE 59 2HG2 ILE 59 8.101 -0.195 5.375 465 3HG2 ILE 59 3HG2 ILE 59 7.327 -1.504 4.467 466 1HD1 ILE 59 1HD1 ILE 59 6.441 -1.857 2.033 467 2HD1 ILE 59 2HD1 ILE 59 7.614 -1.879 0.690 468 3HD1 ILE 59 3HD1 ILE 59 8.155 -2.260 2.326 469 H HIS 60 H HIS 60 7.265 2.693 4.863 470 HA HIS 60 HA HIS 60 6.994 1.886 7.519 471 1HB HIS 60 2HB HIS 60 8.630 3.531 6.617 472 2HB HIS 60 3HB HIS 60 7.325 4.700 6.379 473 HD1 HIS 60 1HD HIS 60 6.259 5.732 8.702 474 HD2 HIS 60 2HD HIS 60 9.500 3.080 9.064 475 HE1 HIS 60 1HE HIS 60 7.081 5.921 11.114 476 H THR 61 H THR 61 4.949 4.049 5.479 477 HA THR 61 HA THR 61 3.237 4.806 7.633 478 HB THR 61 HB THR 61 2.520 4.679 4.685 479 HG1 THR 61 1HG THR 61 4.385 5.923 5.048 480 1HG2 THR 61 1HG2 THR 61 0.564 5.058 6.141 481 2HG2 THR 61 2HG2 THR 61 1.455 6.290 7.061 482 3HG2 THR 61 3HG2 THR 61 1.031 6.586 5.371 483 H ILE 62 H ILE 62 3.027 2.053 5.304 484 HA ILE 62 HA ILE 62 0.505 1.077 6.279 485 HB ILE 62 HB ILE 62 2.713 -0.271 4.712 486 1HG1 ILE 62 2HG1 ILE 62 -0.012 0.863 3.895 487 2HG1 ILE 62 3HG1 ILE 62 1.531 1.667 3.615 488 1HG2 ILE 62 1HG2 ILE 62 -0.147 -1.201 5.243 489 2HG2 ILE 62 2HG2 ILE 62 1.023 -2.012 4.193 490 3HG2 ILE 62 3HG2 ILE 62 1.324 -1.949 5.915 491 1HD1 ILE 62 1HD1 ILE 62 0.565 -0.913 2.343 492 2HD1 ILE 62 2HD1 ILE 62 0.995 0.612 1.569 493 3HD1 ILE 62 3HD1 ILE 62 2.265 -0.381 2.313 494 H GLU 63 H GLU 63 3.895 0.187 7.102 495 HA GLU 63 HA GLU 63 3.294 -1.765 9.096 496 1HB GLU 63 2HB GLU 63 5.589 0.218 8.810 497 2HB GLU 63 3HB GLU 63 5.554 -1.106 9.982 498 1HG GLU 63 2HG GLU 63 5.430 -2.770 8.218 499 2HG GLU 63 3HG GLU 63 5.326 -1.532 6.964 500 H SER 64 H SER 64 3.862 1.722 9.390 501 HA SER 64 HA SER 64 3.384 2.008 12.128 502 1HB SER 64 2HB SER 64 4.459 3.685 10.764 503 2HB SER 64 3HB SER 64 2.997 3.970 9.829 504 HG SER 64 HG SER 64 2.061 4.575 11.985 505 H LEU 65 H LEU 65 0.927 2.152 9.412 506 HA LEU 65 HA LEU 65 -1.289 2.548 11.174 507 1HB LEU 65 2HB LEU 65 -1.004 1.270 8.441 508 2HB LEU 65 3HB LEU 65 -2.565 1.538 9.217 509 HG LEU 65 HG LEU 65 -0.652 3.882 8.947 510 1HD1 LEU 65 1HD1 LEU 65 -2.433 2.762 6.750 511 2HD1 LEU 65 2HD1 LEU 65 -1.638 4.357 6.727 512 3HD1 LEU 65 3HD1 LEU 65 -0.657 2.883 6.773 513 1HD2 LEU 65 1HD2 LEU 65 -2.759 4.113 10.260 514 2HD2 LEU 65 2HD2 LEU 65 -2.733 5.150 8.822 515 3HD2 LEU 65 3HD2 LEU 65 -3.678 3.646 8.808 516 H GLY 66 H GLY 66 0.081 -0.494 9.769 517 1HA GLY 66 2HA GLY 66 -0.791 -1.968 12.134 518 2HA GLY 66 1HA GLY 66 -1.776 -2.313 10.709 519 H PHE 67 H PHE 67 0.507 -2.179 8.787 520 HA PHE 67 HA PHE 67 0.548 -5.124 9.230 521 1HB PHE 67 2HB PHE 67 0.159 -3.703 6.623 522 2HB PHE 67 3HB PHE 67 -0.335 -5.318 7.094 523 HD1 PHE 67 1HD PHE 67 -1.186 -1.703 7.202 524 HD2 PHE 67 2HD PHE 67 -2.289 -5.590 8.682 525 HE1 PHE 67 1HE PHE 67 -3.399 -0.830 7.831 526 HE2 PHE 67 2HE PHE 67 -4.520 -4.720 9.304 527 HZ PHE 67 HZ PHE 67 -5.098 -2.326 8.823 528 H GLU 68 H GLU 68 2.194 -6.448 8.390 529 HA GLU 68 HA GLU 68 4.746 -5.107 8.235 530 1HB GLU 68 2HB GLU 68 4.074 -8.021 7.799 531 2HB GLU 68 3HB GLU 68 5.666 -7.335 8.163 532 1HG GLU 68 2HG GLU 68 4.768 -6.674 10.393 533 2HG GLU 68 3HG GLU 68 3.230 -7.463 10.000 534 H ALA 69 H ALA 69 4.321 -3.827 6.280 535 HA ALA 69 HA ALA 69 3.545 -5.049 3.870 536 1HB ALA 69 1HB ALA 69 4.952 -2.368 4.294 537 2HB ALA 69 2HB ALA 69 3.976 -2.819 2.878 538 3HB ALA 69 3HB ALA 69 3.215 -2.666 4.474 539 H SER 70 H SER 70 4.670 -5.705 2.003 540 HA SER 70 HA SER 70 7.645 -5.686 1.983 541 1HB SER 70 2HB SER 70 5.833 -8.038 2.596 542 2HB SER 70 3HB SER 70 7.428 -8.292 1.894 543 HG SER 70 HG SER 70 7.321 -6.527 4.050 544 H LEU 71 H LEU 71 8.386 -5.626 -0.068 545 HA LEU 71 HA LEU 71 6.828 -5.457 -2.431 546 1HB LEU 71 2HB LEU 71 9.719 -6.308 -1.888 547 2HB LEU 71 3HB LEU 71 9.067 -6.146 -3.510 548 HG LEU 71 HG LEU 71 10.433 -4.252 -2.857 549 1HD1 LEU 71 1HD1 LEU 71 7.524 -3.515 -3.294 550 2HD1 LEU 71 2HD1 LEU 71 8.935 -2.498 -3.650 551 3HD1 LEU 71 3HD1 LEU 71 8.674 -4.000 -4.556 552 1HD2 LEU 71 1HD2 LEU 71 9.892 -4.136 -0.437 553 2HD2 LEU 71 2HD2 LEU 71 9.723 -2.578 -1.263 554 3HD2 LEU 71 3HD2 LEU 71 8.277 -3.508 -0.853 555 H VAL 72 H VAL 72 5.487 -6.969 -3.212 556 HA VAL 72 HA VAL 72 6.641 -9.677 -3.745 557 HB VAL 72 HB VAL 72 4.310 -10.513 -3.713 558 1HG1 VAL 72 1HG1 VAL 72 5.925 -10.696 -1.821 559 2HG1 VAL 72 2HG1 VAL 72 5.240 -9.195 -1.166 560 3HG1 VAL 72 3HG1 VAL 72 4.237 -10.669 -1.293 561 1HG2 VAL 72 1HG2 VAL 72 3.583 -7.836 -2.435 562 2HG2 VAL 72 2HG2 VAL 72 2.957 -8.430 -3.982 563 3HG2 VAL 72 3HG2 VAL 72 2.561 -9.282 -2.506 564 H LYS 73 H LYS 73 7.501 -9.295 -5.742 565 HA LYS 73 HA LYS 73 6.121 -7.655 -7.689 566 1HB LYS 73 2HB LYS 73 8.750 -8.842 -7.330 567 2HB LYS 73 3HB LYS 73 8.249 -9.159 -8.958 568 1HG LYS 73 2HG LYS 73 8.355 -6.444 -7.615 569 2HG LYS 73 3HG LYS 73 9.535 -7.107 -8.743 570 1HD LYS 73 2HD LYS 73 6.698 -6.184 -9.372 571 2HD LYS 73 3HD LYS 73 8.219 -5.489 -9.873 572 1HE LYS 73 2HE LYS 73 7.482 -6.545 -11.796 573 2HE LYS 73 3HE LYS 73 8.684 -7.688 -11.175 574 1HZ LYS 73 1HZ LYS 73 6.840 -9.057 -10.394 575 2HZ LYS 73 2HZ LYS 73 5.772 -7.881 -10.697 576 3HZ LYS 73 3HZ LYS 73 6.476 -8.682 -11.929 577 H ILE 74 H ILE 74 4.140 -9.229 -7.199 578 HA ILE 74 HA ILE 74 4.220 -11.754 -8.750 579 HB ILE 74 HB ILE 74 1.964 -12.136 -7.822 580 1HG1 ILE 74 2HG1 ILE 74 2.436 -9.557 -6.249 581 2HG1 ILE 74 3HG1 ILE 74 1.284 -9.768 -7.573 582 1HG2 ILE 74 1HG2 ILE 74 4.111 -11.470 -5.774 583 2HG2 ILE 74 2HG2 ILE 74 2.763 -12.606 -5.553 584 3HG2 ILE 74 3HG2 ILE 74 4.023 -12.952 -6.738 585 1HD1 ILE 74 1HD1 ILE 74 0.135 -9.848 -5.475 586 2HD1 ILE 74 2HD1 ILE 74 0.067 -11.457 -6.227 587 3HD1 ILE 74 3HD1 ILE 74 1.178 -11.138 -4.868 588 H GLU 75 H GLU 75 4.706 -9.952 -10.537 589 HA GLU 75 HA GLU 75 2.315 -9.981 -12.253 590 1HB GLU 75 2HB GLU 75 4.092 -7.544 -12.397 591 2HB GLU 75 3HB GLU 75 2.465 -7.806 -12.988 592 1HG GLU 75 2HG GLU 75 1.937 -6.421 -11.276 593 2HG GLU 75 3HG GLU 75 1.940 -7.889 -10.305 Start of MODEL 3 1 1H MET 1 H1 MET 1 2.250 6.595 -17.212 2 2H MET 1 H2 MET 1 1.768 5.521 -18.416 3 3H MET 1 H3 MET 1 2.180 4.994 -16.889 4 HA MET 1 HA MET 1 4.010 4.477 -18.115 5 1HB MET 1 2HB MET 1 3.991 7.410 -18.983 6 2HB MET 1 3HB MET 1 5.306 6.259 -19.268 7 1HG MET 1 2HG MET 1 3.640 4.805 -20.524 8 2HG MET 1 3HG MET 1 2.516 6.171 -20.465 9 1HE MET 1 1HE MET 1 4.687 8.641 -20.871 10 2HE MET 1 2HE MET 1 4.491 8.831 -22.624 11 3HE MET 1 3HE MET 1 3.062 8.549 -21.604 12 H GLY 2 H GLY 2 5.971 4.565 -16.880 13 1HA GLY 2 2HA GLY 2 7.280 5.061 -15.073 14 2HA GLY 2 1HA GLY 2 6.647 6.712 -15.107 15 H ASP 3 H ASP 3 4.202 4.281 -14.867 16 HA ASP 3 HA ASP 3 2.818 5.189 -12.851 17 1HB ASP 3 2HB ASP 3 3.214 2.253 -13.589 18 2HB ASP 3 3HB ASP 3 1.819 2.912 -12.736 19 H GLY 4 H GLY 4 5.857 4.014 -12.020 20 1HA GLY 4 2HA GLY 4 6.723 2.503 -10.459 21 2HA GLY 4 1HA GLY 4 5.960 3.687 -9.402 22 H VAL 5 H VAL 5 5.186 0.687 -11.267 23 HA VAL 5 HA VAL 5 2.884 0.159 -9.588 24 HB VAL 5 HB VAL 5 2.725 -0.534 -11.793 25 1HG1 VAL 5 1HG1 VAL 5 5.121 -2.385 -11.463 26 2HG1 VAL 5 2HG1 VAL 5 4.024 -2.298 -12.848 27 3HG1 VAL 5 3HG1 VAL 5 5.058 -0.917 -12.468 28 1HG2 VAL 5 1HG2 VAL 5 3.068 -3.082 -10.158 29 2HG2 VAL 5 2HG2 VAL 5 1.719 -1.947 -9.974 30 3HG2 VAL 5 3HG2 VAL 5 1.970 -2.793 -11.517 31 H LEU 6 H LEU 6 3.497 0.148 -7.528 32 HA LEU 6 HA LEU 6 5.446 -1.844 -6.473 33 1HB LEU 6 2HB LEU 6 5.774 0.312 -5.607 34 2HB LEU 6 3HB LEU 6 4.041 0.635 -5.432 35 HG LEU 6 HG LEU 6 3.937 -0.935 -3.532 36 1HD1 LEU 6 1HD1 LEU 6 5.742 -2.492 -4.161 37 2HD1 LEU 6 2HD1 LEU 6 6.941 -1.185 -3.995 38 3HD1 LEU 6 3HD1 LEU 6 6.068 -1.789 -2.571 39 1HD2 LEU 6 1HD2 LEU 6 5.225 0.455 -1.961 40 2HD2 LEU 6 2HD2 LEU 6 6.128 1.166 -3.315 41 3HD2 LEU 6 3HD2 LEU 6 4.383 1.452 -3.159 42 H GLU 7 H GLU 7 4.316 -3.832 -6.614 43 HA GLU 7 HA GLU 7 1.864 -3.922 -4.921 44 1HB GLU 7 2HB GLU 7 3.020 -6.363 -6.205 45 2HB GLU 7 3HB GLU 7 1.475 -6.090 -5.423 46 1HG GLU 7 2HG GLU 7 1.028 -4.342 -7.291 47 2HG GLU 7 3HG GLU 7 2.503 -5.047 -7.982 48 H LEU 8 H LEU 8 2.315 -4.120 -2.859 49 HA LEU 8 HA LEU 8 4.534 -5.921 -2.123 50 1HB LEU 8 2HB LEU 8 4.483 -5.028 0.140 51 2HB LEU 8 3HB LEU 8 5.080 -3.897 -1.064 52 HG LEU 8 HG LEU 8 3.795 -2.912 0.770 53 1HD1 LEU 8 1HD1 LEU 8 4.012 -1.705 -1.331 54 2HD1 LEU 8 2HD1 LEU 8 2.455 -2.355 -1.892 55 3HD1 LEU 8 3HD1 LEU 8 2.524 -1.326 -0.458 56 1HD2 LEU 8 1HD2 LEU 8 1.256 -4.006 -0.438 57 2HD2 LEU 8 2HD2 LEU 8 2.112 -4.821 0.880 58 3HD2 LEU 8 3HD2 LEU 8 1.486 -3.180 1.105 59 H VAL 9 H VAL 9 4.017 -7.615 -0.761 60 HA VAL 9 HA VAL 9 1.183 -8.355 -0.530 61 HB VAL 9 HB VAL 9 2.882 -10.074 -1.102 62 1HG1 VAL 9 1HG1 VAL 9 4.332 -11.004 0.614 63 2HG1 VAL 9 2HG1 VAL 9 4.735 -9.298 0.401 64 3HG1 VAL 9 3HG1 VAL 9 3.781 -9.813 1.806 65 1HG2 VAL 9 1HG2 VAL 9 1.322 -10.521 1.464 66 2HG2 VAL 9 2HG2 VAL 9 0.743 -10.739 -0.206 67 3HG2 VAL 9 3HG2 VAL 9 2.014 -11.786 0.428 68 H VAL 10 H VAL 10 0.194 -8.292 1.569 69 HA VAL 10 HA VAL 10 1.595 -6.832 3.716 70 HB VAL 10 HB VAL 10 0.658 -5.067 2.487 71 1HG1 VAL 10 1HG1 VAL 10 -0.771 -6.090 0.924 72 2HG1 VAL 10 2HG1 VAL 10 -1.893 -6.648 2.173 73 3HG1 VAL 10 3HG1 VAL 10 -1.723 -4.912 1.820 74 1HG2 VAL 10 1HG2 VAL 10 -0.986 -4.096 3.990 75 2HG2 VAL 10 2HG2 VAL 10 -1.259 -5.673 4.754 76 3HG2 VAL 10 3HG2 VAL 10 0.329 -4.891 4.864 77 H ARG 11 H ARG 11 1.094 -7.660 5.680 78 HA ARG 11 HA ARG 11 -1.299 -9.438 5.872 79 1HB ARG 11 2HB ARG 11 -0.208 -11.026 7.063 80 2HB ARG 11 3HB ARG 11 0.971 -10.667 5.797 81 1HG ARG 11 2HG ARG 11 2.281 -9.475 7.393 82 2HG ARG 11 3HG ARG 11 0.996 -9.602 8.641 83 1HD ARG 11 2HD ARG 11 1.206 -12.151 8.411 84 2HD ARG 11 3HD ARG 11 2.768 -11.813 7.623 85 HE ARG 11 HE ARG 11 2.603 -10.342 10.100 86 1HH1 ARG 11 2HH2 ARG 11 2.921 -13.694 9.060 87 2HH1 ARG 11 1HH2 ARG 11 3.830 -14.172 10.467 88 1HH2 ARG 11 2HH1 ARG 11 3.737 -10.838 11.780 89 2HH2 ARG 11 1HH1 ARG 11 4.321 -12.460 12.157 90 H GLY 12 H GLY 12 -2.278 -9.539 7.933 91 1HA GLY 12 2HA GLY 12 -2.504 -8.741 10.201 92 2HA GLY 12 1HA GLY 12 -1.843 -7.178 9.734 93 H MET 13 H MET 13 -3.348 -7.196 7.139 94 HA MET 13 HA MET 13 -5.846 -6.014 7.713 95 1HB MET 13 2HB MET 13 -4.752 -7.599 5.375 96 2HB MET 13 3HB MET 13 -6.369 -6.876 5.332 97 1HG MET 13 2HG MET 13 -5.600 -4.714 5.241 98 2HG MET 13 3HG MET 13 -4.058 -5.086 6.021 99 1HE MET 13 1HE MET 13 -5.278 -7.442 3.143 100 2HE MET 13 2HE MET 13 -6.055 -5.921 2.624 101 3HE MET 13 3HE MET 13 -4.690 -6.604 1.708 102 H THR 14 H THR 14 -7.742 -6.877 8.445 103 HA THR 14 HA THR 14 -8.490 -9.635 7.720 104 HB THR 14 HB THR 14 -7.109 -9.916 9.731 105 HG1 THR 14 1HG THR 14 -9.888 -10.278 10.035 106 1HG2 THR 14 1HG2 THR 14 -7.393 -7.700 10.793 107 2HG2 THR 14 2HG2 THR 14 -9.099 -8.071 11.133 108 3HG2 THR 14 3HG2 THR 14 -7.810 -9.014 11.900 109 H CYS 15 H CYS 15 -9.509 -6.673 7.365 110 HA CYS 15 HA CYS 15 -12.287 -7.297 7.583 111 1HB CYS 15 2HB CYS 15 -11.844 -6.880 10.029 112 2HB CYS 15 3HB CYS 15 -11.190 -5.288 9.611 113 HG CYS 15 HG CYS 15 -14.194 -6.562 9.058 114 H ALA 16 H ALA 16 -13.558 -5.643 6.602 115 HA ALA 16 HA ALA 16 -12.561 -4.243 4.433 116 1HB ALA 16 1HB ALA 16 -14.920 -4.788 4.780 117 2HB ALA 16 2HB ALA 16 -15.013 -3.627 6.124 118 3HB ALA 16 3HB ALA 16 -14.714 -3.053 4.468 119 H SER 17 H SER 17 -13.026 -3.116 7.758 120 HA SER 17 HA SER 17 -12.293 -0.399 7.494 121 1HB SER 17 2HB SER 17 -11.725 -0.596 9.900 122 2HB SER 17 3HB SER 17 -13.289 -1.325 9.491 123 HG SER 17 HG SER 17 -11.889 -3.333 9.166 124 H CYS 18 H CYS 18 -10.049 -2.786 8.993 125 HA CYS 18 HA CYS 18 -7.647 -1.661 8.643 126 1HB CYS 18 2HB CYS 18 -8.285 -4.590 7.994 127 2HB CYS 18 3HB CYS 18 -6.680 -3.942 8.367 128 HG CYS 18 HG CYS 18 -7.245 -3.102 10.752 129 H VAL 19 H VAL 19 -9.382 -3.428 6.084 130 HA VAL 19 HA VAL 19 -7.498 -3.098 4.062 131 HB VAL 19 HB VAL 19 -10.449 -3.569 4.167 132 1HG1 VAL 19 1HG1 VAL 19 -10.451 -2.233 2.173 133 2HG1 VAL 19 2HG1 VAL 19 -8.997 -3.049 1.562 134 3HG1 VAL 19 3HG1 VAL 19 -10.529 -3.926 1.711 135 1HG2 VAL 19 1HG2 VAL 19 -8.813 -5.383 4.586 136 2HG2 VAL 19 2HG2 VAL 19 -9.848 -5.680 3.176 137 3HG2 VAL 19 3HG2 VAL 19 -8.176 -5.134 2.945 138 H HIS 20 H HIS 20 -10.497 -1.078 4.333 139 HA HIS 20 HA HIS 20 -9.479 0.683 2.371 140 1HB HIS 20 2HB HIS 20 -11.441 1.717 2.335 141 2HB HIS 20 3HB HIS 20 -11.889 0.129 2.950 142 HD1 HIS 20 1HD HIS 20 -13.819 2.529 3.248 143 HD2 HIS 20 2HD HIS 20 -11.015 1.390 6.154 144 HE1 HIS 20 1HE HIS 20 -14.642 3.416 5.499 145 H LYS 21 H LYS 21 -8.963 0.643 5.766 146 HA LYS 21 HA LYS 21 -8.294 3.316 6.252 147 1HB LYS 21 2HB LYS 21 -8.490 1.609 8.016 148 2HB LYS 21 3HB LYS 21 -7.096 0.741 7.365 149 1HG LYS 21 2HG LYS 21 -6.487 1.970 9.340 150 2HG LYS 21 3HG LYS 21 -5.609 2.612 7.943 151 1HD LYS 21 2HD LYS 21 -7.192 4.485 7.751 152 2HD LYS 21 3HD LYS 21 -8.172 3.843 9.074 153 1HE LYS 21 2HE LYS 21 -5.328 4.974 9.206 154 2HE LYS 21 3HE LYS 21 -6.799 5.748 9.791 155 1HZ LYS 21 1HZ LYS 21 -7.024 3.973 11.409 156 2HZ LYS 21 2HZ LYS 21 -5.616 3.287 10.897 157 3HZ LYS 21 3HZ LYS 21 -5.601 4.775 11.586 158 H ILE 22 H ILE 22 -6.414 0.659 4.723 159 HA ILE 22 HA ILE 22 -3.897 2.068 4.669 160 HB ILE 22 HB ILE 22 -5.029 -0.194 2.975 161 1HG1 ILE 22 2HG1 ILE 22 -2.864 -0.330 5.104 162 2HG1 ILE 22 3HG1 ILE 22 -4.577 -0.443 5.531 163 1HG2 ILE 22 1HG2 ILE 22 -3.310 0.850 1.638 164 2HG2 ILE 22 2HG2 ILE 22 -2.233 0.994 3.042 165 3HG2 ILE 22 3HG2 ILE 22 -2.605 -0.598 2.348 166 1HD1 ILE 22 1HD1 ILE 22 -4.880 -2.342 4.002 167 2HD1 ILE 22 2HD1 ILE 22 -3.123 -2.348 3.685 168 3HD1 ILE 22 3HD1 ILE 22 -3.739 -2.662 5.316 169 H GLU 23 H GLU 23 -6.402 1.489 2.194 170 HA GLU 23 HA GLU 23 -5.325 3.040 0.143 171 1HB GLU 23 2HB GLU 23 -8.299 2.604 0.694 172 2HB GLU 23 3HB GLU 23 -7.519 2.945 -0.856 173 1HG GLU 23 2HG GLU 23 -6.203 0.772 -0.547 174 2HG GLU 23 3HG GLU 23 -7.262 0.409 0.828 175 H SER 24 H SER 24 -7.863 4.007 2.464 176 HA SER 24 HA SER 24 -8.061 6.723 1.782 177 1HB SER 24 2HB SER 24 -9.629 5.525 3.233 178 2HB SER 24 3HB SER 24 -8.404 5.375 4.502 179 HG SER 24 HG SER 24 -9.889 7.178 4.741 180 H SER 25 H SER 25 -5.959 5.220 4.314 181 HA SER 25 HA SER 25 -4.807 7.637 5.182 182 1HB SER 25 2HB SER 25 -4.729 5.614 6.473 183 2HB SER 25 3HB SER 25 -3.676 4.813 5.279 184 HG SER 25 HG SER 25 -2.025 6.080 5.915 185 H LEU 26 H LEU 26 -3.720 5.436 2.525 186 HA LEU 26 HA LEU 26 -1.358 7.085 2.053 187 1HB LEU 26 2HB LEU 26 -2.600 5.008 0.265 188 2HB LEU 26 3HB LEU 26 -1.002 5.789 0.084 189 HG LEU 26 HG LEU 26 -1.679 4.254 2.593 190 1HD1 LEU 26 1HD1 LEU 26 -2.028 2.731 0.711 191 2HD1 LEU 26 2HD1 LEU 26 -0.486 3.241 -0.001 192 3HD1 LEU 26 3HD1 LEU 26 -0.507 2.327 1.527 193 1HD2 LEU 26 1HD2 LEU 26 0.272 5.708 2.772 194 2HD2 LEU 26 2HD2 LEU 26 0.799 4.023 2.671 195 3HD2 LEU 26 3HD2 LEU 26 0.921 5.080 1.249 196 H THR 27 H THR 27 -4.676 7.006 0.754 197 HA THR 27 HA THR 27 -4.091 8.763 -1.443 198 HB THR 27 HB THR 27 -6.795 8.112 -0.233 199 HG1 THR 27 1HG THR 27 -5.678 6.256 -0.874 200 1HG2 THR 27 1HG2 THR 27 -5.940 9.041 -3.025 201 2HG2 THR 27 2HG2 THR 27 -7.579 8.566 -2.547 202 3HG2 THR 27 3HG2 THR 27 -6.851 10.024 -1.854 203 H LYS 28 H LYS 28 -2.890 10.168 -0.157 204 HA LYS 28 HA LYS 28 -3.990 12.707 0.484 205 1HB LYS 28 2HB LYS 28 -3.735 12.897 2.850 206 2HB LYS 28 3HB LYS 28 -4.764 11.517 2.521 207 1HG LYS 28 2HG LYS 28 -3.494 10.639 4.127 208 2HG LYS 28 3HG LYS 28 -2.590 10.122 2.692 209 1HD LYS 28 2HD LYS 28 -0.797 11.660 3.159 210 2HD LYS 28 3HD LYS 28 -1.842 12.695 4.123 211 1HE LYS 28 2HE LYS 28 -0.218 11.500 5.530 212 2HE LYS 28 3HE LYS 28 -1.893 11.135 5.957 213 1HZ LYS 28 1HZ LYS 28 -0.614 9.149 5.964 214 2HZ LYS 28 2HZ LYS 28 -1.663 9.062 4.705 215 3HZ LYS 28 3HZ LYS 28 -0.080 9.347 4.429 216 H HIS 29 H HIS 29 -1.137 10.509 0.408 217 HA HIS 29 HA HIS 29 0.765 12.556 1.038 218 1HB HIS 29 2HB HIS 29 1.085 10.005 -0.586 219 2HB HIS 29 3HB HIS 29 2.387 11.043 0.000 220 HD1 HIS 29 1HD HIS 29 3.579 9.650 1.895 221 HD2 HIS 29 2HD HIS 29 -0.605 9.340 1.896 222 HE1 HIS 29 1HE HIS 29 2.922 8.106 3.781 223 H ARG 30 H ARG 30 -0.950 11.676 -1.886 224 HA ARG 30 HA ARG 30 -1.127 12.490 -3.962 225 1HB ARG 30 2HB ARG 30 0.429 14.906 -2.933 226 2HB ARG 30 3HB ARG 30 -0.131 14.722 -4.579 227 1HG ARG 30 2HG ARG 30 -1.651 16.107 -3.444 228 2HG ARG 30 3HG ARG 30 -2.467 14.603 -3.885 229 1HD ARG 30 2HD ARG 30 -2.472 13.810 -1.658 230 2HD ARG 30 3HD ARG 30 -1.243 14.953 -1.122 231 HE ARG 30 HE ARG 30 -4.126 15.352 -1.363 232 1HH1 ARG 30 2HH2 ARG 30 -1.016 16.990 -1.261 233 2HH1 ARG 30 1HH2 ARG 30 -1.612 18.473 -0.579 234 1HH2 ARG 30 2HH1 ARG 30 -4.987 17.312 -0.473 235 2HH2 ARG 30 1HH1 ARG 30 -3.946 18.658 -0.147 236 H GLY 31 H GLY 31 1.904 11.577 -2.697 237 1HA GLY 31 2HA GLY 31 3.255 11.551 -5.295 238 2HA GLY 31 1HA GLY 31 3.756 10.738 -3.817 239 H ILE 32 H ILE 32 1.058 9.553 -3.452 240 HA ILE 32 HA ILE 32 1.292 7.251 -5.252 241 HB ILE 32 HB ILE 32 0.969 6.765 -2.943 242 1HG1 ILE 32 2HG1 ILE 32 -1.633 6.164 -4.415 243 2HG1 ILE 32 3HG1 ILE 32 -0.081 5.411 -4.808 244 1HG2 ILE 32 1HG2 ILE 32 -0.240 8.807 -2.189 245 2HG2 ILE 32 2HG2 ILE 32 -1.702 8.225 -3.019 246 3HG2 ILE 32 3HG2 ILE 32 -0.987 7.304 -1.682 247 1HD1 ILE 32 1HD1 ILE 32 -1.212 3.929 -3.353 248 2HD1 ILE 32 2HD1 ILE 32 0.110 4.657 -2.419 249 3HD1 ILE 32 3HD1 ILE 32 -1.574 5.201 -2.177 250 H LEU 33 H LEU 33 0.074 6.930 -7.003 251 HA LEU 33 HA LEU 33 -1.928 8.986 -7.816 252 1HB LEU 33 2HB LEU 33 -0.658 6.617 -9.268 253 2HB LEU 33 3HB LEU 33 -1.823 7.736 -9.973 254 HG LEU 33 HG LEU 33 0.945 8.549 -8.958 255 1HD1 LEU 33 1HD1 LEU 33 1.097 7.038 -10.888 256 2HD1 LEU 33 2HD1 LEU 33 -0.087 8.020 -11.781 257 3HD1 LEU 33 3HD1 LEU 33 1.503 8.692 -11.370 258 1HD2 LEU 33 1HD2 LEU 33 0.454 10.613 -10.314 259 2HD2 LEU 33 2HD2 LEU 33 -1.209 10.043 -10.534 260 3HD2 LEU 33 3HD2 LEU 33 -0.601 10.447 -8.910 261 H TYR 34 H TYR 34 -1.589 5.471 -7.086 262 HA TYR 34 HA TYR 34 -4.447 5.434 -6.553 263 1HB TYR 34 2HB TYR 34 -4.121 5.119 -9.101 264 2HB TYR 34 3HB TYR 34 -3.279 3.616 -8.712 265 HD1 TYR 34 HD1 TYR 34 -4.616 1.661 -8.817 266 HD2 TYR 34 HD2 TYR 34 -6.435 5.430 -7.768 267 HE1 TYR 34 HE1 TYR 34 -6.781 0.533 -8.465 268 HE2 TYR 34 HE2 TYR 34 -8.491 4.284 -7.156 269 HH TYR 34 HH TYR 34 -9.581 2.202 -6.994 270 H CYS 35 H CYS 35 -5.140 3.544 -5.498 271 HA CYS 35 HA CYS 35 -3.098 1.641 -4.490 272 1HB CYS 35 2HB CYS 35 -3.360 3.548 -2.831 273 2HB CYS 35 3HB CYS 35 -5.078 3.129 -2.715 274 HG CYS 35 HG CYS 35 -3.733 2.179 -0.704 275 H SER 36 H SER 36 -3.951 -0.363 -4.732 276 HA SER 36 HA SER 36 -6.852 -0.715 -4.206 277 1HB SER 36 2HB SER 36 -6.497 -0.801 -6.662 278 2HB SER 36 3HB SER 36 -5.363 -2.147 -6.438 279 HG SER 36 HG SER 36 -8.098 -2.082 -5.635 280 H VAL 37 H VAL 37 -6.629 -1.617 -2.191 281 HA VAL 37 HA VAL 37 -4.494 -3.623 -1.829 282 HB VAL 37 HB VAL 37 -4.691 -1.731 -0.237 283 1HG1 VAL 37 1HG1 VAL 37 -6.794 -3.412 1.135 284 2HG1 VAL 37 2HG1 VAL 37 -6.150 -1.833 1.601 285 3HG1 VAL 37 3HG1 VAL 37 -7.198 -1.966 0.168 286 1HG2 VAL 37 1HG2 VAL 37 -4.019 -3.183 1.632 287 2HG2 VAL 37 2HG2 VAL 37 -4.698 -4.584 0.772 288 3HG2 VAL 37 3HG2 VAL 37 -3.308 -3.725 0.103 289 H ALA 38 H ALA 38 -4.993 -5.268 -2.916 290 HA ALA 38 HA ALA 38 -7.678 -6.461 -2.908 291 1HB ALA 38 1HB ALA 38 -6.423 -6.401 -4.983 292 2HB ALA 38 2HB ALA 38 -5.050 -7.234 -4.233 293 3HB ALA 38 3HB ALA 38 -6.598 -8.085 -4.454 294 H LEU 39 H LEU 39 -7.724 -6.744 -0.625 295 HA LEU 39 HA LEU 39 -6.301 -8.423 1.019 296 1HB LEU 39 2HB LEU 39 -8.279 -7.226 1.747 297 2HB LEU 39 3HB LEU 39 -9.301 -8.139 0.631 298 HG LEU 39 HG LEU 39 -8.889 -10.208 1.895 299 1HD1 LEU 39 1HD1 LEU 39 -6.660 -9.722 2.889 300 2HD1 LEU 39 2HD1 LEU 39 -7.386 -8.421 3.860 301 3HD1 LEU 39 3HD1 LEU 39 -7.838 -10.111 4.144 302 1HD2 LEU 39 1HD2 LEU 39 -9.855 -7.952 3.684 303 2HD2 LEU 39 2HD2 LEU 39 -10.824 -8.752 2.427 304 3HD2 LEU 39 3HD2 LEU 39 -10.252 -9.673 3.829 305 H ALA 40 H ALA 40 -8.354 -9.373 -1.718 306 HA ALA 40 HA ALA 40 -8.619 -12.137 -1.282 307 1HB ALA 40 1HB ALA 40 -8.821 -12.292 -3.735 308 2HB ALA 40 2HB ALA 40 -9.727 -10.898 -3.111 309 3HB ALA 40 3HB ALA 40 -8.153 -10.656 -3.908 310 H THR 41 H THR 41 -5.819 -10.271 -2.365 311 HA THR 41 HA THR 41 -4.120 -12.716 -2.583 312 HB THR 41 HB THR 41 -2.719 -10.961 -3.951 313 HG1 THR 41 1HG THR 41 -4.383 -9.273 -3.244 314 1HG2 THR 41 1HG2 THR 41 -3.822 -12.913 -4.976 315 2HG2 THR 41 2HG2 THR 41 -5.359 -12.021 -5.052 316 3HG2 THR 41 3HG2 THR 41 -3.961 -11.479 -6.007 317 H ASN 42 H ASN 42 -4.967 -10.554 -0.316 318 HA ASN 42 HA ASN 42 -3.930 -9.092 1.152 319 1HB ASN 42 2HB ASN 42 -2.643 -11.793 1.280 320 2HB ASN 42 3HB ASN 42 -1.773 -10.517 2.106 321 1HD2 ASN 42 1HD2 ASN 42 -2.840 -9.236 3.736 322 2HD2 ASN 42 2HD2 ASN 42 -4.222 -9.921 4.609 323 H LYS 43 H LYS 43 -3.492 -8.027 -1.200 324 HA LYS 43 HA LYS 43 -0.643 -7.177 -1.091 325 1HB LYS 43 2HB LYS 43 -0.472 -8.798 -2.707 326 2HB LYS 43 3HB LYS 43 -2.101 -8.551 -3.305 327 1HG LYS 43 2HG LYS 43 -0.223 -6.239 -3.761 328 2HG LYS 43 3HG LYS 43 0.192 -7.719 -4.556 329 1HD LYS 43 2HD LYS 43 -2.607 -6.465 -4.689 330 2HD LYS 43 3HD LYS 43 -1.314 -6.100 -5.844 331 1HE LYS 43 2HE LYS 43 -2.623 -8.815 -5.402 332 2HE LYS 43 3HE LYS 43 -2.827 -7.749 -6.779 333 1HZ LYS 43 1HZ LYS 43 -0.416 -8.203 -7.290 334 2HZ LYS 43 2HZ LYS 43 -0.312 -9.037 -5.897 335 3HZ LYS 43 3HZ LYS 43 -1.175 -9.684 -7.011 336 H ALA 44 H ALA 44 -0.198 -5.116 -1.827 337 HA ALA 44 HA ALA 44 -2.555 -3.316 -2.287 338 1HB ALA 44 1HB ALA 44 -1.534 -1.559 -1.189 339 2HB ALA 44 2HB ALA 44 -1.234 -2.909 -0.080 340 3HB ALA 44 3HB ALA 44 0.050 -2.316 -1.144 341 H HIS 45 H HIS 45 -2.673 -3.251 -4.450 342 HA HIS 45 HA HIS 45 -0.189 -2.915 -6.044 343 1HB HIS 45 2HB HIS 45 -2.190 -4.225 -6.903 344 2HB HIS 45 3HB HIS 45 -3.079 -2.688 -6.904 345 HD1 HIS 45 1HD HIS 45 -1.034 -4.722 -9.163 346 HD2 HIS 45 2HD HIS 45 -1.632 -0.669 -8.302 347 HE1 HIS 45 1HE HIS 45 -0.451 -3.442 -11.311 348 H ILE 46 H ILE 46 0.724 -1.088 -5.532 349 HA ILE 46 HA ILE 46 -0.885 1.398 -5.349 350 HB ILE 46 HB ILE 46 1.660 0.444 -4.008 351 1HG1 ILE 46 2HG1 ILE 46 -0.978 1.644 -3.031 352 2HG1 ILE 46 3HG1 ILE 46 -0.609 -0.083 -3.079 353 1HG2 ILE 46 1HG2 ILE 46 2.282 2.605 -4.786 354 2HG2 ILE 46 2HG2 ILE 46 0.688 3.281 -4.440 355 3HG2 ILE 46 3HG2 ILE 46 1.790 2.843 -3.116 356 1HD1 ILE 46 1HD1 ILE 46 -0.272 0.625 -0.857 357 2HD1 ILE 46 2HD1 ILE 46 1.341 0.348 -1.563 358 3HD1 ILE 46 3HD1 ILE 46 0.710 2.004 -1.373 359 H LYS 47 H LYS 47 -0.682 2.709 -6.985 360 HA LYS 47 HA LYS 47 1.699 2.502 -8.754 361 1HB LYS 47 2HB LYS 47 -1.124 3.443 -9.278 362 2HB LYS 47 3HB LYS 47 0.259 3.939 -10.280 363 1HG LYS 47 2HG LYS 47 0.798 1.479 -10.579 364 2HG LYS 47 3HG LYS 47 -0.761 1.098 -9.820 365 1HD LYS 47 2HD LYS 47 -1.959 2.317 -11.583 366 2HD LYS 47 3HD LYS 47 -0.442 2.981 -12.212 367 1HE LYS 47 2HE LYS 47 0.301 0.572 -12.680 368 2HE LYS 47 3HE LYS 47 -1.375 0.086 -12.366 369 1HZ LYS 47 1HZ LYS 47 -2.005 1.621 -14.171 370 2HZ LYS 47 2HZ LYS 47 -0.426 2.015 -14.404 371 3HZ LYS 47 3HZ LYS 47 -0.930 0.489 -14.709 372 H TYR 48 H TYR 48 3.104 4.260 -8.487 373 HA TYR 48 HA TYR 48 2.193 6.762 -7.294 374 1HB TYR 48 2HB TYR 48 3.429 6.632 -5.276 375 2HB TYR 48 3HB TYR 48 2.512 5.130 -5.324 376 HD1 TYR 48 HD1 TYR 48 5.653 6.576 -4.703 377 HD2 TYR 48 HD2 TYR 48 3.897 3.092 -6.476 378 HE1 TYR 48 HE1 TYR 48 7.808 5.371 -4.463 379 HE2 TYR 48 HE2 TYR 48 6.163 2.116 -6.738 380 HH TYR 48 HH TYR 48 8.368 2.241 -6.086 381 H ASP 49 H ASP 49 3.820 8.399 -7.353 382 HA ASP 49 HA ASP 49 5.842 7.847 -9.471 383 1HB ASP 49 2HB ASP 49 4.899 10.482 -8.337 384 2HB ASP 49 3HB ASP 49 6.043 10.226 -9.676 385 HA PRO 50 HA PRO 50 8.190 7.189 -5.766 386 1HB PRO 50 2HB PRO 50 10.716 6.641 -6.802 387 2HB PRO 50 3HB PRO 50 9.350 5.492 -6.763 388 1HG PRO 50 2HG PRO 50 10.201 7.269 -9.058 389 2HG PRO 50 3HG PRO 50 9.785 5.531 -9.107 390 1HD PRO 50 2HD PRO 50 7.982 7.406 -9.810 391 2HD PRO 50 3HD PRO 50 7.459 6.004 -8.823 392 H GLU 51 H GLU 51 9.746 9.332 -8.184 393 HA GLU 51 HA GLU 51 11.660 10.471 -6.580 394 1HB GLU 51 2HB GLU 51 11.474 12.447 -8.153 395 2HB GLU 51 3HB GLU 51 11.747 10.867 -8.890 396 1HG GLU 51 2HG GLU 51 9.399 10.710 -9.590 397 2HG GLU 51 3HG GLU 51 9.016 12.205 -8.720 398 H ILE 52 H ILE 52 8.199 11.223 -6.423 399 HA ILE 52 HA ILE 52 8.775 13.627 -4.750 400 HB ILE 52 HB ILE 52 6.339 14.075 -5.052 401 1HG1 ILE 52 2HG1 ILE 52 6.466 11.974 -7.253 402 2HG1 ILE 52 3HG1 ILE 52 5.689 11.725 -5.678 403 1HG2 ILE 52 1HG2 ILE 52 6.658 15.075 -7.240 404 2HG2 ILE 52 2HG2 ILE 52 8.175 15.159 -6.350 405 3HG2 ILE 52 3HG2 ILE 52 7.966 13.939 -7.619 406 1HD1 ILE 52 1HD1 ILE 52 4.912 13.793 -7.783 407 2HD1 ILE 52 2HD1 ILE 52 4.006 12.357 -7.311 408 3HD1 ILE 52 3HD1 ILE 52 4.197 13.688 -6.155 409 H ILE 53 H ILE 53 8.646 10.452 -4.071 410 HA ILE 53 HA ILE 53 7.666 11.062 -1.356 411 HB ILE 53 HB ILE 53 5.664 10.658 -2.740 412 1HG1 ILE 53 2HG1 ILE 53 6.120 8.616 -0.575 413 2HG1 ILE 53 3HG1 ILE 53 5.580 10.303 -0.374 414 1HG2 ILE 53 1HG2 ILE 53 6.403 7.738 -2.895 415 2HG2 ILE 53 2HG2 ILE 53 5.105 8.618 -3.739 416 3HG2 ILE 53 3HG2 ILE 53 6.775 8.873 -4.219 417 1HD1 ILE 53 1HD1 ILE 53 3.672 8.811 -0.252 418 2HD1 ILE 53 2HD1 ILE 53 3.568 9.840 -1.700 419 3HD1 ILE 53 3HD1 ILE 53 4.037 8.129 -1.837 420 H GLY 54 H GLY 54 8.655 8.415 -3.546 421 1HA GLY 54 2HA GLY 54 10.177 6.785 -3.297 422 2HA GLY 54 1HA GLY 54 10.621 7.343 -1.676 423 HA PRO 55 HA PRO 55 7.334 3.722 -1.846 424 1HB PRO 55 2HB PRO 55 8.943 1.495 -1.499 425 2HB PRO 55 3HB PRO 55 8.412 2.127 -3.080 426 1HG PRO 55 2HG PRO 55 11.050 2.621 -1.692 427 2HG PRO 55 3HG PRO 55 10.763 2.196 -3.403 428 1HD PRO 55 2HD PRO 55 11.202 4.759 -2.635 429 2HD PRO 55 3HD PRO 55 10.017 4.385 -3.918 430 H ARG 56 H ARG 56 10.377 4.011 -0.063 431 HA ARG 56 HA ARG 56 10.137 3.077 2.413 432 1HB ARG 56 2HB ARG 56 11.378 5.037 3.192 433 2HB ARG 56 3HB ARG 56 11.921 4.573 1.574 434 1HG ARG 56 2HG ARG 56 10.211 6.343 0.714 435 2HG ARG 56 3HG ARG 56 10.183 6.935 2.388 436 1HD ARG 56 2HD ARG 56 12.485 7.523 2.289 437 2HD ARG 56 3HD ARG 56 12.667 6.769 0.679 438 HE ARG 56 HE ARG 56 10.509 8.561 0.449 439 1HH1 ARG 56 2HH2 ARG 56 13.965 8.882 1.080 440 2HH1 ARG 56 1HH2 ARG 56 14.086 10.453 0.341 441 1HH2 ARG 56 2HH1 ARG 56 10.597 10.469 -0.475 442 2HH2 ARG 56 1HH1 ARG 56 12.056 11.438 -0.599 443 H ASP 57 H ASP 57 8.292 5.962 1.352 444 HA ASP 57 HA ASP 57 7.352 6.602 4.015 445 1HB ASP 57 2HB ASP 57 7.797 8.312 2.315 446 2HB ASP 57 3HB ASP 57 6.633 7.547 1.222 447 H ILE 58 H ILE 58 5.935 5.242 1.047 448 HA ILE 58 HA ILE 58 3.290 4.796 2.069 449 HB ILE 58 HB ILE 58 4.903 3.548 -0.182 450 1HG1 ILE 58 2HG1 ILE 58 2.412 5.158 -0.620 451 2HG1 ILE 58 3HG1 ILE 58 3.838 6.059 -0.079 452 1HG2 ILE 58 1HG2 ILE 58 3.295 1.856 0.501 453 2HG2 ILE 58 2HG2 ILE 58 1.994 3.067 0.522 454 3HG2 ILE 58 3HG2 ILE 58 2.793 2.611 -1.007 455 1HD1 ILE 58 1HD1 ILE 58 3.841 4.171 -2.462 456 2HD1 ILE 58 2HD1 ILE 58 3.670 5.936 -2.550 457 3HD1 ILE 58 3HD1 ILE 58 5.168 5.222 -1.908 458 H ILE 59 H ILE 59 6.144 2.642 1.722 459 HA ILE 59 HA ILE 59 4.995 0.347 2.954 460 HB ILE 59 HB ILE 59 7.889 1.284 2.854 461 1HG1 ILE 59 2HG1 ILE 59 6.998 0.935 0.606 462 2HG1 ILE 59 3HG1 ILE 59 8.153 -0.321 1.025 463 1HG2 ILE 59 1HG2 ILE 59 8.426 -1.154 3.236 464 2HG2 ILE 59 2HG2 ILE 59 7.764 -0.308 4.631 465 3HG2 ILE 59 3HG2 ILE 59 6.728 -1.398 3.698 466 1HD1 ILE 59 1HD1 ILE 59 5.115 -0.568 0.948 467 2HD1 ILE 59 2HD1 ILE 59 6.285 -1.267 -0.171 468 3HD1 ILE 59 3HD1 ILE 59 6.213 -1.864 1.494 469 H HIS 60 H HIS 60 7.028 2.929 4.474 470 HA HIS 60 HA HIS 60 6.843 2.011 7.093 471 1HB HIS 60 2HB HIS 60 8.321 3.828 6.364 472 2HB HIS 60 3HB HIS 60 6.928 4.880 6.057 473 HD1 HIS 60 1HD HIS 60 5.755 5.938 8.248 474 HD2 HIS 60 2HD HIS 60 8.943 3.279 8.926 475 HE1 HIS 60 1HE HIS 60 6.320 6.101 10.736 476 H THR 61 H THR 61 4.551 4.123 5.263 477 HA THR 61 HA THR 61 2.819 4.598 7.474 478 HB THR 61 HB THR 61 2.234 4.595 4.493 479 HG1 THR 61 1HG THR 61 3.778 6.104 5.080 480 1HG2 THR 61 1HG2 THR 61 0.116 4.469 5.702 481 2HG2 THR 61 2HG2 THR 61 0.661 5.715 6.854 482 3HG2 THR 61 3HG2 THR 61 0.375 6.135 5.151 483 H ILE 62 H ILE 62 2.688 2.084 4.905 484 HA ILE 62 HA ILE 62 0.346 0.747 5.764 485 HB ILE 62 HB ILE 62 2.809 -0.240 4.302 486 1HG1 ILE 62 2HG1 ILE 62 -0.030 0.350 3.349 487 2HG1 ILE 62 3HG1 ILE 62 1.274 1.530 3.272 488 1HG2 ILE 62 1HG2 ILE 62 1.458 -2.221 3.659 489 2HG2 ILE 62 2HG2 ILE 62 1.757 -2.193 5.387 490 3HG2 ILE 62 3HG2 ILE 62 0.169 -1.698 4.760 491 1HD1 ILE 62 1HD1 ILE 62 1.084 -1.078 1.760 492 2HD1 ILE 62 2HD1 ILE 62 1.164 0.565 1.127 493 3HD1 ILE 62 3HD1 ILE 62 2.599 -0.148 1.889 494 H GLU 63 H GLU 63 3.783 -0.046 6.555 495 HA GLU 63 HA GLU 63 3.240 -2.072 8.395 496 1HB GLU 63 2HB GLU 63 5.492 -0.020 8.330 497 2HB GLU 63 3HB GLU 63 5.495 -1.470 9.346 498 1HG GLU 63 2HG GLU 63 5.415 -2.922 7.395 499 2HG GLU 63 3HG GLU 63 5.269 -1.545 6.297 500 H SER 64 H SER 64 3.844 1.364 9.021 501 HA SER 64 HA SER 64 3.525 1.348 11.785 502 1HB SER 64 2HB SER 64 4.664 3.122 10.556 503 2HB SER 64 3HB SER 64 3.137 3.643 9.823 504 HG SER 64 HG SER 64 2.572 3.697 12.312 505 H LEU 65 H LEU 65 0.858 1.556 9.322 506 HA LEU 65 HA LEU 65 -1.084 2.407 11.233 507 1HB LEU 65 2HB LEU 65 -1.226 0.750 8.710 508 2HB LEU 65 3HB LEU 65 -2.674 1.195 9.620 509 HG LEU 65 HG LEU 65 -0.701 3.374 8.853 510 1HD1 LEU 65 1HD1 LEU 65 -1.011 2.105 6.853 511 2HD1 LEU 65 2HD1 LEU 65 -2.786 2.124 7.024 512 3HD1 LEU 65 3HD1 LEU 65 -1.896 3.638 6.709 513 1HD2 LEU 65 1HD2 LEU 65 -2.758 4.722 8.779 514 2HD2 LEU 65 2HD2 LEU 65 -3.714 3.277 9.190 515 3HD2 LEU 65 3HD2 LEU 65 -2.550 3.942 10.358 516 H GLY 66 H GLY 66 -0.905 -0.992 9.989 517 1HA GLY 66 2HA GLY 66 -0.690 -2.028 12.693 518 2HA GLY 66 1HA GLY 66 -2.326 -2.215 12.034 519 H PHE 67 H PHE 67 0.721 -2.389 10.120 520 HA PHE 67 HA PHE 67 0.026 -5.247 9.518 521 1HB PHE 67 2HB PHE 67 0.708 -3.090 7.499 522 2HB PHE 67 3HB PHE 67 0.175 -4.732 7.155 523 HD1 PHE 67 1HD PHE 67 -2.138 -5.273 8.612 524 HD2 PHE 67 2HD PHE 67 -0.988 -1.484 6.950 525 HE1 PHE 67 1HE PHE 67 -4.394 -4.385 9.092 526 HE2 PHE 67 2HE PHE 67 -3.193 -0.551 7.544 527 HZ PHE 67 HZ PHE 67 -4.922 -2.004 8.537 528 H GLU 68 H GLU 68 1.612 -6.250 8.042 529 HA GLU 68 HA GLU 68 4.361 -5.129 8.144 530 1HB GLU 68 2HB GLU 68 4.640 -7.851 7.569 531 2HB GLU 68 3HB GLU 68 5.211 -7.058 9.007 532 1HG GLU 68 2HG GLU 68 2.400 -8.047 9.144 533 2HG GLU 68 3HG GLU 68 3.753 -9.198 8.933 534 H ALA 69 H ALA 69 5.440 -5.512 5.984 535 HA ALA 69 HA ALA 69 3.812 -6.752 3.952 536 1HB ALA 69 1HB ALA 69 4.414 -3.742 3.880 537 2HB ALA 69 2HB ALA 69 3.745 -4.658 2.520 538 3HB ALA 69 3HB ALA 69 2.801 -4.476 4.008 539 H SER 70 H SER 70 4.896 -6.675 1.756 540 HA SER 70 HA SER 70 7.796 -6.162 1.745 541 1HB SER 70 2HB SER 70 7.024 -8.616 2.672 542 2HB SER 70 3HB SER 70 7.018 -8.958 0.946 543 HG SER 70 HG SER 70 9.089 -9.299 1.893 544 H LEU 71 H LEU 71 8.412 -5.605 -0.368 545 HA LEU 71 HA LEU 71 6.632 -5.318 -2.636 546 1HB LEU 71 2HB LEU 71 9.654 -5.504 -2.267 547 2HB LEU 71 3HB LEU 71 8.892 -5.359 -3.850 548 HG LEU 71 HG LEU 71 7.863 -3.266 -3.275 549 1HD1 LEU 71 1HD1 LEU 71 9.304 -3.481 -0.593 550 2HD1 LEU 71 2HD1 LEU 71 8.566 -1.997 -1.227 551 3HD1 LEU 71 3HD1 LEU 71 7.545 -3.383 -0.850 552 1HD2 LEU 71 1HD2 LEU 71 10.846 -3.293 -2.681 553 2HD2 LEU 71 2HD2 LEU 71 10.102 -3.303 -4.296 554 3HD2 LEU 71 3HD2 LEU 71 9.904 -1.893 -3.239 555 H VAL 72 H VAL 72 5.741 -6.831 -3.857 556 HA VAL 72 HA VAL 72 7.222 -9.367 -4.406 557 HB VAL 72 HB VAL 72 5.070 -10.455 -4.737 558 1HG1 VAL 72 1HG1 VAL 72 6.333 -10.488 -2.568 559 2HG1 VAL 72 2HG1 VAL 72 5.291 -9.161 -2.011 560 3HG1 VAL 72 3HG1 VAL 72 4.594 -10.754 -2.397 561 1HG2 VAL 72 1HG2 VAL 72 3.508 -8.654 -5.241 562 2HG2 VAL 72 2HG2 VAL 72 3.002 -9.402 -3.726 563 3HG2 VAL 72 3HG2 VAL 72 3.842 -7.857 -3.686 564 H LYS 73 H LYS 73 5.017 -6.915 -5.804 565 HA LYS 73 HA LYS 73 4.477 -6.412 -7.969 566 1HB LYS 73 2HB LYS 73 7.320 -7.317 -8.517 567 2HB LYS 73 3HB LYS 73 6.259 -6.534 -9.687 568 1HG LYS 73 2HG LYS 73 6.103 -4.533 -8.376 569 2HG LYS 73 3HG LYS 73 6.967 -5.275 -7.008 570 1HD LYS 73 2HD LYS 73 8.996 -5.515 -8.260 571 2HD LYS 73 3HD LYS 73 8.233 -5.054 -9.781 572 1HE LYS 73 2HE LYS 73 8.490 -3.185 -7.367 573 2HE LYS 73 3HE LYS 73 9.682 -3.277 -8.673 574 1HZ LYS 73 1HZ LYS 73 8.136 -1.509 -9.060 575 2HZ LYS 73 2HZ LYS 73 7.959 -2.650 -10.229 576 3HZ LYS 73 3HZ LYS 73 6.846 -2.515 -9.031 577 H ILE 74 H ILE 74 2.748 -7.916 -8.217 578 HA ILE 74 HA ILE 74 1.603 -9.358 -9.396 579 HB ILE 74 HB ILE 74 4.026 -10.254 -10.971 580 1HG1 ILE 74 2HG1 ILE 74 3.916 -7.825 -11.213 581 2HG1 ILE 74 3HG1 ILE 74 3.373 -8.620 -12.679 582 1HG2 ILE 74 1HG2 ILE 74 2.262 -10.690 -12.706 583 2HG2 ILE 74 2HG2 ILE 74 2.142 -11.731 -11.293 584 3HG2 ILE 74 3HG2 ILE 74 1.025 -10.375 -11.473 585 1HD1 ILE 74 1HD1 ILE 74 1.548 -7.365 -10.576 586 2HD1 ILE 74 2HD1 ILE 74 1.967 -6.691 -12.154 587 3HD1 ILE 74 3HD1 ILE 74 1.003 -8.169 -12.065 588 H GLU 75 H GLU 75 2.089 -9.832 -6.993 589 HA GLU 75 HA GLU 75 1.473 -12.677 -7.113 590 1HB GLU 75 2HB GLU 75 3.689 -12.479 -5.848 591 2HB GLU 75 3HB GLU 75 2.849 -11.450 -4.675 592 1HG GLU 75 2HG GLU 75 1.308 -13.301 -4.145 593 2HG GLU 75 3HG GLU 75 2.127 -14.330 -5.337 Start of MODEL 4 1 1H MET 1 H1 MET 1 8.899 8.064 -14.427 2 2H MET 1 H2 MET 1 9.455 9.653 -14.441 3 3H MET 1 H3 MET 1 7.976 9.354 -14.005 4 HA MET 1 HA MET 1 7.400 9.888 -16.071 5 1HB MET 1 2HB MET 1 9.933 8.462 -17.038 6 2HB MET 1 3HB MET 1 8.655 9.079 -18.088 7 1HG MET 1 2HG MET 1 9.030 11.376 -17.121 8 2HG MET 1 3HG MET 1 10.477 10.733 -16.321 9 1HE MET 1 1HE MET 1 11.913 12.933 -19.263 10 2HE MET 1 2HE MET 1 10.475 13.267 -18.270 11 3HE MET 1 3HE MET 1 11.957 12.628 -17.511 12 H GLY 2 H GLY 2 5.974 8.546 -17.417 13 1HA GLY 2 2HA GLY 2 4.775 6.594 -17.870 14 2HA GLY 2 1HA GLY 2 5.961 5.623 -16.977 15 H ASP 3 H ASP 3 4.390 4.619 -15.617 16 HA ASP 3 HA ASP 3 3.197 6.314 -13.491 17 1HB ASP 3 2HB ASP 3 1.601 5.816 -15.471 18 2HB ASP 3 3HB ASP 3 1.589 4.150 -14.865 19 H GLY 4 H GLY 4 4.675 5.485 -12.022 20 1HA GLY 4 2HA GLY 4 5.811 2.918 -12.097 21 2HA GLY 4 1HA GLY 4 5.828 4.006 -10.708 22 H VAL 5 H VAL 5 5.780 1.289 -10.232 23 HA VAL 5 HA VAL 5 3.137 0.856 -9.058 24 HB VAL 5 HB VAL 5 2.934 -0.071 -11.324 25 1HG1 VAL 5 1HG1 VAL 5 4.224 -2.018 -12.041 26 2HG1 VAL 5 2HG1 VAL 5 5.307 -0.647 -11.761 27 3HG1 VAL 5 3HG1 VAL 5 5.207 -1.960 -10.568 28 1HG2 VAL 5 1HG2 VAL 5 3.060 -2.284 -9.235 29 2HG2 VAL 5 2HG2 VAL 5 1.737 -1.111 -9.398 30 3HG2 VAL 5 3HG2 VAL 5 2.083 -2.248 -10.711 31 H LEU 6 H LEU 6 3.170 -0.402 -7.280 32 HA LEU 6 HA LEU 6 5.596 -1.831 -6.465 33 1HB LEU 6 2HB LEU 6 5.777 0.552 -5.654 34 2HB LEU 6 3HB LEU 6 4.205 0.382 -4.873 35 HG LEU 6 HG LEU 6 5.230 -1.472 -3.470 36 1HD1 LEU 6 1HD1 LEU 6 7.169 -2.082 -4.840 37 2HD1 LEU 6 2HD1 LEU 6 7.803 -0.422 -4.736 38 3HD1 LEU 6 3HD1 LEU 6 7.731 -1.445 -3.290 39 1HD2 LEU 6 1HD2 LEU 6 6.425 0.152 -1.992 40 2HD2 LEU 6 2HD2 LEU 6 6.459 1.317 -3.336 41 3HD2 LEU 6 3HD2 LEU 6 4.913 0.829 -2.626 42 H GLU 7 H GLU 7 4.835 -3.784 -5.841 43 HA GLU 7 HA GLU 7 1.960 -4.038 -5.026 44 1HB GLU 7 2HB GLU 7 3.050 -4.991 -7.297 45 2HB GLU 7 3HB GLU 7 3.491 -6.311 -6.207 46 1HG GLU 7 2HG GLU 7 1.353 -6.884 -7.028 47 2HG GLU 7 3HG GLU 7 0.971 -6.192 -5.440 48 H LEU 8 H LEU 8 1.863 -4.363 -2.899 49 HA LEU 8 HA LEU 8 4.160 -5.728 -1.514 50 1HB LEU 8 2HB LEU 8 2.021 -3.929 -0.319 51 2HB LEU 8 3HB LEU 8 3.441 -4.598 0.471 52 HG LEU 8 HG LEU 8 3.908 -2.365 0.175 53 1HD1 LEU 8 1HD1 LEU 8 5.805 -2.263 -1.345 54 2HD1 LEU 8 2HD1 LEU 8 5.745 -3.842 -0.534 55 3HD1 LEU 8 3HD1 LEU 8 5.233 -3.676 -2.231 56 1HD2 LEU 8 1HD2 LEU 8 3.092 -2.366 -2.753 57 2HD2 LEU 8 2HD2 LEU 8 2.076 -1.814 -1.411 58 3HD2 LEU 8 3HD2 LEU 8 3.606 -1.004 -1.752 59 H VAL 9 H VAL 9 3.661 -7.740 -0.625 60 HA VAL 9 HA VAL 9 0.813 -8.433 -0.091 61 HB VAL 9 HB VAL 9 3.452 -9.822 0.390 62 1HG1 VAL 9 1HG1 VAL 9 0.736 -10.547 1.583 63 2HG1 VAL 9 2HG1 VAL 9 2.140 -11.631 1.515 64 3HG1 VAL 9 3HG1 VAL 9 2.218 -10.158 2.486 65 1HG2 VAL 9 1HG2 VAL 9 0.831 -10.684 -0.928 66 2HG2 VAL 9 2HG2 VAL 9 2.219 -10.024 -1.807 67 3HG2 VAL 9 3HG2 VAL 9 2.368 -11.570 -0.943 68 H VAL 10 H VAL 10 -0.143 -7.747 1.735 69 HA VAL 10 HA VAL 10 1.476 -6.420 3.868 70 HB VAL 10 HB VAL 10 -1.167 -5.528 2.667 71 1HG1 VAL 10 1HG1 VAL 10 -1.175 -5.200 5.118 72 2HG1 VAL 10 2HG1 VAL 10 0.435 -4.450 5.013 73 3HG1 VAL 10 3HG1 VAL 10 -0.981 -3.649 4.295 74 1HG2 VAL 10 1HG2 VAL 10 1.609 -4.293 2.689 75 2HG2 VAL 10 2HG2 VAL 10 0.685 -4.867 1.282 76 3HG2 VAL 10 3HG2 VAL 10 0.130 -3.451 2.185 77 H ARG 11 H ARG 11 1.419 -7.748 5.529 78 HA ARG 11 HA ARG 11 -0.509 -9.915 5.589 79 1HB ARG 11 2HB ARG 11 1.688 -9.185 7.556 80 2HB ARG 11 3HB ARG 11 0.867 -10.745 7.418 81 1HG ARG 11 2HG ARG 11 1.826 -11.012 5.105 82 2HG ARG 11 3HG ARG 11 2.670 -9.464 5.309 83 1HD ARG 11 2HD ARG 11 3.634 -10.477 7.467 84 2HD ARG 11 3HD ARG 11 3.150 -12.052 6.818 85 HE ARG 11 HE ARG 11 4.579 -10.721 4.778 86 1HH1 ARG 11 2HH2 ARG 11 5.313 -11.506 8.110 87 2HH1 ARG 11 1HH2 ARG 11 6.923 -11.331 7.899 88 1HH2 ARG 11 2HH1 ARG 11 6.853 -10.667 4.523 89 2HH2 ARG 11 1HH1 ARG 11 7.887 -11.308 5.777 90 H GLY 12 H GLY 12 -2.533 -9.120 6.093 91 1HA GLY 12 2HA GLY 12 -3.535 -9.227 8.551 92 2HA GLY 12 1HA GLY 12 -3.018 -7.530 8.530 93 H MET 13 H MET 13 -4.245 -6.057 7.394 94 HA MET 13 HA MET 13 -5.966 -5.176 6.239 95 1HB MET 13 2HB MET 13 -5.605 -7.557 4.398 96 2HB MET 13 3HB MET 13 -6.367 -6.003 4.034 97 1HG MET 13 2HG MET 13 -4.290 -4.829 4.220 98 2HG MET 13 3HG MET 13 -3.444 -6.240 4.865 99 1HE MET 13 1HE MET 13 -5.527 -5.031 1.786 100 2HE MET 13 2HE MET 13 -5.017 -6.226 0.559 101 3HE MET 13 3HE MET 13 -5.999 -6.708 1.962 102 H THR 14 H THR 14 -6.845 -6.807 8.446 103 HA THR 14 HA THR 14 -8.858 -8.648 7.481 104 HB THR 14 HB THR 14 -7.660 -9.147 9.488 105 HG1 THR 14 1HG THR 14 -9.668 -10.025 9.361 106 1HG2 THR 14 1HG2 THR 14 -9.053 -6.800 10.841 107 2HG2 THR 14 2HG2 THR 14 -8.072 -8.048 11.618 108 3HG2 THR 14 3HG2 THR 14 -7.311 -6.918 10.493 109 H CYS 15 H CYS 15 -10.766 -8.129 6.736 110 HA CYS 15 HA CYS 15 -12.829 -7.318 6.519 111 1HB CYS 15 2HB CYS 15 -13.096 -7.814 8.815 112 2HB CYS 15 3HB CYS 15 -12.336 -6.313 9.356 113 HG CYS 15 HG CYS 15 -14.077 -4.699 8.717 114 H ALA 16 H ALA 16 -14.135 -5.529 5.955 115 HA ALA 16 HA ALA 16 -12.866 -3.341 4.632 116 1HB ALA 16 1HB ALA 16 -15.766 -3.794 5.404 117 2HB ALA 16 2HB ALA 16 -15.166 -2.549 4.289 118 3HB ALA 16 3HB ALA 16 -14.984 -4.267 3.878 119 H SER 17 H SER 17 -11.571 -2.718 6.521 120 HA SER 17 HA SER 17 -12.539 -0.577 8.232 121 1HB SER 17 2HB SER 17 -12.386 -1.919 10.310 122 2HB SER 17 3HB SER 17 -13.748 -2.345 9.270 123 HG SER 17 HG SER 17 -11.945 -3.965 8.453 124 H CYS 18 H CYS 18 -10.175 -3.310 7.891 125 HA CYS 18 HA CYS 18 -7.881 -1.552 8.494 126 1HB CYS 18 2HB CYS 18 -8.113 -4.337 7.274 127 2HB CYS 18 3HB CYS 18 -6.596 -3.431 7.474 128 HG CYS 18 HG CYS 18 -8.737 -4.441 9.746 129 H VAL 19 H VAL 19 -9.432 -3.122 5.744 130 HA VAL 19 HA VAL 19 -7.958 -2.425 3.609 131 HB VAL 19 HB VAL 19 -10.951 -2.580 4.004 132 1HG1 VAL 19 1HG1 VAL 19 -10.711 -1.384 1.893 133 2HG1 VAL 19 2HG1 VAL 19 -9.560 -2.612 1.313 134 3HG1 VAL 19 3HG1 VAL 19 -11.255 -3.037 1.636 135 1HG2 VAL 19 1HG2 VAL 19 -9.585 -4.654 4.475 136 2HG2 VAL 19 2HG2 VAL 19 -10.732 -4.837 3.151 137 3HG2 VAL 19 3HG2 VAL 19 -9.008 -4.593 2.801 138 H HIS 20 H HIS 20 -10.897 -0.472 4.227 139 HA HIS 20 HA HIS 20 -10.077 1.599 2.547 140 1HB HIS 20 2HB HIS 20 -11.997 2.748 3.203 141 2HB HIS 20 3HB HIS 20 -12.414 1.035 3.293 142 HD1 HIS 20 1HD HIS 20 -13.624 3.703 4.983 143 HD2 HIS 20 2HD HIS 20 -11.277 0.476 6.309 144 HE1 HIS 20 1HE HIS 20 -13.957 3.535 7.505 145 H LYS 21 H LYS 21 -9.214 1.029 5.858 146 HA LYS 21 HA LYS 21 -8.507 3.741 6.593 147 1HB LYS 21 2HB LYS 21 -9.102 2.299 8.272 148 2HB LYS 21 3HB LYS 21 -8.069 0.984 7.735 149 1HG LYS 21 2HG LYS 21 -6.051 2.304 8.333 150 2HG LYS 21 3HG LYS 21 -7.074 3.505 9.107 151 1HD LYS 21 2HD LYS 21 -6.995 0.503 9.769 152 2HD LYS 21 3HD LYS 21 -6.048 1.727 10.592 153 1HE LYS 21 2HE LYS 21 -7.917 1.114 11.957 154 2HE LYS 21 3HE LYS 21 -8.056 2.812 11.489 155 1HZ LYS 21 1HZ LYS 21 -9.498 0.683 10.022 156 2HZ LYS 21 2HZ LYS 21 -10.113 1.381 11.384 157 3HZ LYS 21 3HZ LYS 21 -9.801 2.285 10.058 158 H ILE 22 H ILE 22 -6.700 0.827 5.430 159 HA ILE 22 HA ILE 22 -4.151 2.120 5.155 160 HB ILE 22 HB ILE 22 -5.414 -0.118 3.518 161 1HG1 ILE 22 2HG1 ILE 22 -3.263 -0.276 5.664 162 2HG1 ILE 22 3HG1 ILE 22 -4.990 -0.506 5.984 163 1HG2 ILE 22 1HG2 ILE 22 -2.589 1.011 3.532 164 2HG2 ILE 22 2HG2 ILE 22 -3.001 -0.560 2.824 165 3HG2 ILE 22 3HG2 ILE 22 -3.692 0.906 2.148 166 1HD1 ILE 22 1HD1 ILE 22 -4.013 -2.673 5.751 167 2HD1 ILE 22 2HD1 ILE 22 -5.083 -2.368 4.375 168 3HD1 ILE 22 3HD1 ILE 22 -3.310 -2.268 4.184 169 H GLU 23 H GLU 23 -6.718 1.582 2.672 170 HA GLU 23 HA GLU 23 -5.424 3.014 0.665 171 1HB GLU 23 2HB GLU 23 -8.410 2.603 1.103 172 2HB GLU 23 3HB GLU 23 -7.680 3.165 -0.411 173 1HG GLU 23 2HG GLU 23 -6.337 1.122 -0.582 174 2HG GLU 23 3HG GLU 23 -6.960 0.529 0.958 175 H SER 24 H SER 24 -8.020 4.313 2.781 176 HA SER 24 HA SER 24 -7.903 6.989 1.971 177 1HB SER 24 2HB SER 24 -9.615 6.129 3.490 178 2HB SER 24 3HB SER 24 -8.417 5.895 4.772 179 HG SER 24 HG SER 24 -9.671 7.877 4.865 180 H SER 25 H SER 25 -5.903 5.336 4.519 181 HA SER 25 HA SER 25 -4.482 7.663 5.312 182 1HB SER 25 2HB SER 25 -4.523 5.512 6.575 183 2HB SER 25 3HB SER 25 -3.444 4.804 5.354 184 HG SER 25 HG SER 25 -1.952 6.506 5.902 185 H LEU 26 H LEU 26 -3.621 5.228 2.745 186 HA LEU 26 HA LEU 26 -1.182 6.676 2.335 187 1HB LEU 26 2HB LEU 26 -2.349 5.005 0.147 188 2HB LEU 26 3HB LEU 26 -0.657 5.407 0.577 189 HG LEU 26 HG LEU 26 -2.507 3.513 2.044 190 1HD1 LEU 26 1HD1 LEU 26 -0.929 1.852 1.326 191 2HD1 LEU 26 2HD1 LEU 26 -1.507 2.764 -0.084 192 3HD1 LEU 26 3HD1 LEU 26 0.099 3.118 0.603 193 1HD2 LEU 26 1HD2 LEU 26 -0.452 3.014 3.439 194 2HD2 LEU 26 2HD2 LEU 26 0.309 4.459 2.735 195 3HD2 LEU 26 3HD2 LEU 26 -1.148 4.606 3.749 196 H THR 27 H THR 27 -4.414 6.880 0.770 197 HA THR 27 HA THR 27 -3.685 8.766 -1.205 198 HB THR 27 HB THR 27 -6.346 8.424 0.227 199 HG1 THR 27 1HG THR 27 -5.146 7.101 -1.967 200 1HG2 THR 27 1HG2 THR 27 -7.289 9.076 -2.008 201 2HG2 THR 27 2HG2 THR 27 -6.443 10.409 -1.214 202 3HG2 THR 27 3HG2 THR 27 -5.656 9.524 -2.540 203 H LYS 28 H LYS 28 -3.524 9.240 2.200 204 HA LYS 28 HA LYS 28 -4.051 12.084 2.236 205 1HB LYS 28 2HB LYS 28 -2.139 10.472 3.947 206 2HB LYS 28 3HB LYS 28 -2.762 12.075 4.326 207 1HG LYS 28 2HG LYS 28 -4.558 9.667 3.977 208 2HG LYS 28 3HG LYS 28 -3.794 10.000 5.495 209 1HD LYS 28 2HD LYS 28 -5.041 12.051 5.758 210 2HD LYS 28 3HD LYS 28 -5.536 12.088 4.064 211 1HE LYS 28 2HE LYS 28 -6.373 9.886 6.011 212 2HE LYS 28 3HE LYS 28 -7.339 11.340 5.728 213 1HZ LYS 28 1HZ LYS 28 -6.569 9.479 3.573 214 2HZ LYS 28 2HZ LYS 28 -7.975 9.350 4.363 215 3HZ LYS 28 3HZ LYS 28 -7.654 10.707 3.479 216 H HIS 29 H HIS 29 -1.287 9.994 1.392 217 HA HIS 29 HA HIS 29 0.494 12.274 0.903 218 1HB HIS 29 2HB HIS 29 0.967 9.600 -0.356 219 2HB HIS 29 3HB HIS 29 2.102 10.763 0.323 220 HD1 HIS 29 1HD HIS 29 1.958 10.712 3.260 221 HD2 HIS 29 2HD HIS 29 0.591 7.480 0.963 222 HE1 HIS 29 1HE HIS 29 1.934 8.635 4.780 223 H ARG 30 H ARG 30 0.643 13.302 -1.116 224 HA ARG 30 HA ARG 30 -1.398 12.612 -3.157 225 1HB ARG 30 2HB ARG 30 0.517 14.927 -2.740 226 2HB ARG 30 3HB ARG 30 -0.340 14.682 -4.261 227 1HG ARG 30 2HG ARG 30 -1.518 16.263 -2.843 228 2HG ARG 30 3HG ARG 30 -2.496 14.849 -3.231 229 1HD ARG 30 2HD ARG 30 -2.222 13.909 -1.040 230 2HD ARG 30 3HD ARG 30 -1.015 15.097 -0.563 231 HE ARG 30 HE ARG 30 -3.899 15.288 -0.542 232 1HH1 ARG 30 2HH2 ARG 30 -0.980 17.219 -0.826 233 2HH1 ARG 30 1HH2 ARG 30 -1.650 18.671 -0.143 234 1HH2 ARG 30 2HH1 ARG 30 -4.871 17.205 0.328 235 2HH2 ARG 30 1HH1 ARG 30 -3.940 18.655 0.512 236 H GLY 31 H GLY 31 1.643 11.435 -2.446 237 1HA GLY 31 2HA GLY 31 2.761 11.416 -5.134 238 2HA GLY 31 1HA GLY 31 3.407 10.687 -3.674 239 H ILE 32 H ILE 32 0.494 9.424 -3.424 240 HA ILE 32 HA ILE 32 1.154 7.028 -5.049 241 HB ILE 32 HB ILE 32 0.790 6.496 -2.810 242 1HG1 ILE 32 2HG1 ILE 32 -1.772 5.727 -4.268 243 2HG1 ILE 32 3HG1 ILE 32 -0.170 5.100 -4.709 244 1HG2 ILE 32 1HG2 ILE 32 -1.919 7.882 -2.911 245 2HG2 ILE 32 2HG2 ILE 32 -1.299 6.875 -1.591 246 3HG2 ILE 32 3HG2 ILE 32 -0.490 8.385 -1.975 247 1HD1 ILE 32 1HD1 ILE 32 -1.571 4.713 -2.052 248 2HD1 ILE 32 2HD1 ILE 32 -1.155 3.498 -3.270 249 3HD1 ILE 32 3HD1 ILE 32 0.138 4.317 -2.359 250 H LEU 33 H LEU 33 0.111 6.680 -6.912 251 HA LEU 33 HA LEU 33 -1.863 8.668 -7.861 252 1HB LEU 33 2HB LEU 33 -0.587 6.293 -9.282 253 2HB LEU 33 3HB LEU 33 -1.497 7.612 -10.020 254 HG LEU 33 HG LEU 33 1.213 7.880 -8.618 255 1HD1 LEU 33 1HD1 LEU 33 2.078 8.283 -10.883 256 2HD1 LEU 33 2HD1 LEU 33 1.340 6.680 -10.755 257 3HD1 LEU 33 3HD1 LEU 33 0.461 7.995 -11.563 258 1HD2 LEU 33 1HD2 LEU 33 -0.031 9.973 -8.372 259 2HD2 LEU 33 2HD2 LEU 33 1.191 10.177 -9.634 260 3HD2 LEU 33 3HD2 LEU 33 -0.507 9.932 -10.088 261 H TYR 34 H TYR 34 -1.643 5.152 -7.042 262 HA TYR 34 HA TYR 34 -4.513 5.212 -6.670 263 1HB TYR 34 2HB TYR 34 -4.076 4.799 -9.193 264 2HB TYR 34 3HB TYR 34 -3.342 3.269 -8.708 265 HD1 TYR 34 HD1 TYR 34 -4.707 1.385 -8.809 266 HD2 TYR 34 HD2 TYR 34 -6.450 5.249 -8.001 267 HE1 TYR 34 HE1 TYR 34 -6.910 0.346 -8.609 268 HE2 TYR 34 HE2 TYR 34 -8.607 4.206 -7.600 269 HH TYR 34 HH TYR 34 -9.826 2.202 -7.606 270 H CYS 35 H CYS 35 -5.291 3.403 -5.518 271 HA CYS 35 HA CYS 35 -3.287 1.554 -4.326 272 1HB CYS 35 2HB CYS 35 -3.667 3.562 -2.817 273 2HB CYS 35 3HB CYS 35 -5.354 3.010 -2.677 274 HG CYS 35 HG CYS 35 -4.039 2.188 -0.616 275 H SER 36 H SER 36 -4.110 -0.488 -4.213 276 HA SER 36 HA SER 36 -6.996 -0.776 -3.799 277 1HB SER 36 2HB SER 36 -5.650 -2.352 -6.019 278 2HB SER 36 3HB SER 36 -7.304 -2.549 -5.415 279 HG SER 36 HG SER 36 -7.032 0.010 -5.925 280 H VAL 37 H VAL 37 -6.783 -1.551 -1.767 281 HA VAL 37 HA VAL 37 -4.636 -3.501 -1.253 282 HB VAL 37 HB VAL 37 -5.108 -1.369 0.098 283 1HG1 VAL 37 1HG1 VAL 37 -6.408 -1.505 1.997 284 2HG1 VAL 37 2HG1 VAL 37 -7.437 -1.849 0.592 285 3HG1 VAL 37 3HG1 VAL 37 -6.920 -3.170 1.677 286 1HG2 VAL 37 1HG2 VAL 37 -3.379 -2.200 1.087 287 2HG2 VAL 37 2HG2 VAL 37 -4.456 -3.034 2.205 288 3HG2 VAL 37 3HG2 VAL 37 -3.834 -3.875 0.771 289 H ALA 38 H ALA 38 -5.265 -5.147 -2.407 290 HA ALA 38 HA ALA 38 -7.962 -6.272 -2.322 291 1HB ALA 38 1HB ALA 38 -6.757 -6.181 -4.428 292 2HB ALA 38 2HB ALA 38 -5.400 -7.096 -3.740 293 3HB ALA 38 3HB ALA 38 -6.980 -7.880 -3.953 294 H LEU 39 H LEU 39 -8.113 -6.857 -0.134 295 HA LEU 39 HA LEU 39 -6.505 -8.641 1.292 296 1HB LEU 39 2HB LEU 39 -8.296 -8.947 2.767 297 2HB LEU 39 3HB LEU 39 -8.420 -7.309 2.146 298 HG LEU 39 HG LEU 39 -10.073 -8.556 0.364 299 1HD1 LEU 39 1HD1 LEU 39 -11.450 -10.214 1.572 300 2HD1 LEU 39 2HD1 LEU 39 -9.790 -10.813 1.467 301 3HD1 LEU 39 3HD1 LEU 39 -10.378 -10.111 2.983 302 1HD2 LEU 39 1HD2 LEU 39 -10.777 -7.593 3.161 303 2HD2 LEU 39 2HD2 LEU 39 -10.666 -6.617 1.675 304 3HD2 LEU 39 3HD2 LEU 39 -11.942 -7.834 1.838 305 H ALA 40 H ALA 40 -8.651 -9.408 -1.357 306 HA ALA 40 HA ALA 40 -8.891 -12.203 -1.080 307 1HB ALA 40 1HB ALA 40 -9.048 -12.219 -3.543 308 2HB ALA 40 2HB ALA 40 -9.993 -10.881 -2.856 309 3HB ALA 40 3HB ALA 40 -8.410 -10.563 -3.607 310 H THR 41 H THR 41 -6.132 -10.209 -2.039 311 HA THR 41 HA THR 41 -4.370 -12.613 -2.267 312 HB THR 41 HB THR 41 -2.984 -10.865 -3.625 313 HG1 THR 41 1HG THR 41 -4.698 -9.183 -2.873 314 1HG2 THR 41 1HG2 THR 41 -4.143 -12.776 -4.679 315 2HG2 THR 41 2HG2 THR 41 -5.652 -11.840 -4.735 316 3HG2 THR 41 3HG2 THR 41 -4.249 -11.320 -5.689 317 H ASN 42 H ASN 42 -5.283 -10.660 0.042 318 HA ASN 42 HA ASN 42 -4.402 -9.269 1.585 319 1HB ASN 42 2HB ASN 42 -3.329 -11.922 1.794 320 2HB ASN 42 3HB ASN 42 -2.066 -10.833 2.338 321 1HD2 ASN 42 1HD2 ASN 42 -2.984 -8.920 3.828 322 2HD2 ASN 42 2HD2 ASN 42 -4.268 -9.436 4.949 323 H LYS 43 H LYS 43 -3.850 -8.147 -0.762 324 HA LYS 43 HA LYS 43 -1.015 -7.275 -0.554 325 1HB LYS 43 2HB LYS 43 -0.924 -8.885 -2.219 326 2HB LYS 43 3HB LYS 43 -2.507 -8.473 -2.863 327 1HG LYS 43 2HG LYS 43 -0.367 -6.400 -3.154 328 2HG LYS 43 3HG LYS 43 -0.243 -7.848 -4.122 329 1HD LYS 43 2HD LYS 43 -2.865 -6.286 -3.997 330 2HD LYS 43 3HD LYS 43 -1.568 -5.797 -5.081 331 1HE LYS 43 2HE LYS 43 -2.787 -8.596 -5.070 332 2HE LYS 43 3HE LYS 43 -3.403 -7.271 -6.051 333 1HZ LYS 43 1HZ LYS 43 -1.877 -8.601 -7.308 334 2HZ LYS 43 2HZ LYS 43 -1.273 -7.087 -7.099 335 3HZ LYS 43 3HZ LYS 43 -0.658 -8.325 -6.230 336 H ALA 44 H ALA 44 -0.537 -5.236 -0.912 337 HA ALA 44 HA ALA 44 -2.649 -3.268 -1.646 338 1HB ALA 44 1HB ALA 44 -1.150 -1.579 -0.887 339 2HB ALA 44 2HB ALA 44 -1.289 -2.798 0.385 340 3HB ALA 44 3HB ALA 44 0.152 -2.755 -0.637 341 H HIS 45 H HIS 45 -2.892 -3.248 -3.802 342 HA HIS 45 HA HIS 45 -0.527 -3.127 -5.636 343 1HB HIS 45 2HB HIS 45 -2.757 -4.174 -6.335 344 2HB HIS 45 3HB HIS 45 -3.438 -2.550 -6.190 345 HD1 HIS 45 1HD HIS 45 -1.735 -4.703 -8.634 346 HD2 HIS 45 2HD HIS 45 -1.536 -0.745 -7.618 347 HE1 HIS 45 1HE HIS 45 -0.950 -3.512 -10.742 348 H ILE 46 H ILE 46 0.656 -1.362 -5.425 349 HA ILE 46 HA ILE 46 -0.739 1.228 -4.900 350 HB ILE 46 HB ILE 46 1.860 0.087 -3.818 351 1HG1 ILE 46 2HG1 ILE 46 -0.760 1.145 -2.685 352 2HG1 ILE 46 3HG1 ILE 46 -0.052 -0.471 -2.553 353 1HG2 ILE 46 1HG2 ILE 46 2.486 2.239 -4.663 354 2HG2 ILE 46 2HG2 ILE 46 1.047 2.998 -3.975 355 3HG2 ILE 46 3HG2 ILE 46 2.335 2.346 -2.929 356 1HD1 ILE 46 1HD1 ILE 46 1.833 0.588 -1.221 357 2HD1 ILE 46 2HD1 ILE 46 0.863 2.088 -1.252 358 3HD1 ILE 46 3HD1 ILE 46 0.231 0.630 -0.457 359 H LYS 47 H LYS 47 -0.888 2.184 -6.781 360 HA LYS 47 HA LYS 47 1.458 2.160 -8.612 361 1HB LYS 47 2HB LYS 47 -1.269 3.331 -8.953 362 2HB LYS 47 3HB LYS 47 0.075 3.478 -10.091 363 1HG LYS 47 2HG LYS 47 0.037 0.754 -9.812 364 2HG LYS 47 3HG LYS 47 -1.625 1.109 -9.360 365 1HD LYS 47 2HD LYS 47 -1.907 0.792 -11.605 366 2HD LYS 47 3HD LYS 47 -1.634 2.540 -11.607 367 1HE LYS 47 2HE LYS 47 0.445 0.344 -12.183 368 2HE LYS 47 3HE LYS 47 -0.358 1.363 -13.388 369 1HZ LYS 47 1HZ LYS 47 0.670 3.285 -12.316 370 2HZ LYS 47 2HZ LYS 47 1.546 2.342 -11.334 371 3HZ LYS 47 3HZ LYS 47 1.800 2.306 -12.932 372 H TYR 48 H TYR 48 2.941 3.453 -7.864 373 HA TYR 48 HA TYR 48 2.341 6.147 -6.831 374 1HB TYR 48 2HB TYR 48 3.870 6.001 -5.105 375 2HB TYR 48 3HB TYR 48 3.086 4.444 -4.959 376 HD1 TYR 48 HD1 TYR 48 4.561 2.791 -7.074 377 HD2 TYR 48 HD2 TYR 48 6.041 5.795 -4.345 378 HE1 TYR 48 HE1 TYR 48 6.849 2.000 -7.430 379 HE2 TYR 48 HE2 TYR 48 8.325 4.942 -4.662 380 HH TYR 48 HH TYR 48 9.064 2.230 -6.870 381 H ASP 49 H ASP 49 4.563 7.381 -7.060 382 HA ASP 49 HA ASP 49 6.200 6.135 -9.207 383 1HB ASP 49 2HB ASP 49 4.669 8.489 -9.674 384 2HB ASP 49 3HB ASP 49 6.373 8.964 -9.616 385 HA PRO 50 HA PRO 50 9.257 6.823 -6.026 386 1HB PRO 50 2HB PRO 50 11.574 6.638 -7.488 387 2HB PRO 50 3HB PRO 50 10.576 5.244 -6.986 388 1HG PRO 50 2HG PRO 50 10.530 6.678 -9.652 389 2HG PRO 50 3HG PRO 50 10.603 4.917 -9.354 390 1HD PRO 50 2HD PRO 50 8.285 6.140 -9.925 391 2HD PRO 50 3HD PRO 50 8.311 4.861 -8.679 392 H GLU 51 H GLU 51 9.324 8.631 -9.083 393 HA GLU 51 HA GLU 51 10.938 10.788 -8.137 394 1HB GLU 51 2HB GLU 51 10.272 11.900 -10.224 395 2HB GLU 51 3HB GLU 51 10.828 10.241 -10.470 396 1HG GLU 51 2HG GLU 51 8.413 9.504 -10.610 397 2HG GLU 51 3HG GLU 51 7.932 11.198 -10.481 398 H ILE 52 H ILE 52 7.762 10.029 -7.154 399 HA ILE 52 HA ILE 52 7.456 12.851 -6.218 400 HB ILE 52 HB ILE 52 5.032 12.541 -6.178 401 1HG1 ILE 52 2HG1 ILE 52 5.591 10.104 -7.898 402 2HG1 ILE 52 3HG1 ILE 52 4.837 10.114 -6.298 403 1HG2 ILE 52 1HG2 ILE 52 6.237 12.332 -8.974 404 2HG2 ILE 52 2HG2 ILE 52 4.746 13.180 -8.508 405 3HG2 ILE 52 3HG2 ILE 52 6.307 13.790 -7.964 406 1HD1 ILE 52 1HD1 ILE 52 3.109 9.851 -7.954 407 2HD1 ILE 52 2HD1 ILE 52 2.960 11.517 -7.354 408 3HD1 ILE 52 3HD1 ILE 52 3.720 11.188 -8.926 409 H ILE 53 H ILE 53 7.262 9.384 -5.297 410 HA ILE 53 HA ILE 53 7.783 10.341 -2.589 411 HB ILE 53 HB ILE 53 5.290 10.321 -2.790 412 1HG1 ILE 53 2HG1 ILE 53 6.447 8.404 -0.761 413 2HG1 ILE 53 3HG1 ILE 53 6.416 10.180 -0.681 414 1HG2 ILE 53 1HG2 ILE 53 4.033 8.272 -2.946 415 2HG2 ILE 53 2HG2 ILE 53 5.199 8.218 -4.274 416 3HG2 ILE 53 3HG2 ILE 53 5.496 7.290 -2.775 417 1HD1 ILE 53 1HD1 ILE 53 3.994 8.343 -0.659 418 2HD1 ILE 53 2HD1 ILE 53 4.603 9.351 0.663 419 3HD1 ILE 53 3HD1 ILE 53 3.935 10.115 -0.796 420 H GLY 54 H GLY 54 8.831 8.667 -1.275 421 1HA GLY 54 2HA GLY 54 10.135 6.705 -3.015 422 2HA GLY 54 1HA GLY 54 10.454 7.009 -1.307 423 HA PRO 55 HA PRO 55 7.425 3.354 -1.913 424 1HB PRO 55 2HB PRO 55 9.101 1.192 -1.696 425 2HB PRO 55 3HB PRO 55 8.732 1.992 -3.248 426 1HG PRO 55 2HG PRO 55 11.188 2.377 -1.536 427 2HG PRO 55 3HG PRO 55 11.086 2.156 -3.302 428 1HD PRO 55 2HD PRO 55 11.310 4.637 -2.137 429 2HD PRO 55 3HD PRO 55 10.399 4.371 -3.649 430 H ARG 56 H ARG 56 10.438 3.525 0.018 431 HA ARG 56 HA ARG 56 9.548 2.043 2.193 432 1HB ARG 56 2HB ARG 56 11.943 2.686 1.689 433 2HB ARG 56 3HB ARG 56 11.563 4.335 2.211 434 1HG ARG 56 2HG ARG 56 12.668 3.228 4.031 435 2HG ARG 56 3HG ARG 56 10.979 3.425 4.481 436 1HD ARG 56 2HD ARG 56 10.665 0.954 3.615 437 2HD ARG 56 3HD ARG 56 12.417 0.911 3.562 438 HE ARG 56 HE ARG 56 12.463 0.720 5.848 439 1HH1 ARG 56 2HH2 ARG 56 9.242 2.168 5.128 440 2HH1 ARG 56 1HH2 ARG 56 8.529 1.330 6.507 441 1HH2 ARG 56 2HH1 ARG 56 11.381 -0.293 7.643 442 2HH2 ARG 56 1HH1 ARG 56 9.665 -0.115 7.813 443 H ASP 57 H ASP 57 9.209 5.490 1.562 444 HA ASP 57 HA ASP 57 8.129 6.487 3.829 445 1HB ASP 57 2HB ASP 57 6.870 7.143 1.142 446 2HB ASP 57 3HB ASP 57 7.245 8.217 2.476 447 H ILE 58 H ILE 58 6.300 5.066 1.108 448 HA ILE 58 HA ILE 58 3.755 4.942 2.413 449 HB ILE 58 HB ILE 58 5.033 3.759 -0.035 450 1HG1 ILE 58 2HG1 ILE 58 2.339 5.107 0.247 451 2HG1 ILE 58 3HG1 ILE 58 3.834 6.059 0.309 452 1HG2 ILE 58 1HG2 ILE 58 3.835 1.795 0.767 453 2HG2 ILE 58 2HG2 ILE 58 2.376 2.773 1.059 454 3HG2 ILE 58 3HG2 ILE 58 2.997 2.525 -0.593 455 1HD1 ILE 58 1HD1 ILE 58 3.022 6.097 -1.949 456 2HD1 ILE 58 2HD1 ILE 58 4.516 5.141 -1.904 457 3HD1 ILE 58 3HD1 ILE 58 2.936 4.332 -2.020 458 H ILE 59 H ILE 59 6.419 2.553 2.175 459 HA ILE 59 HA ILE 59 5.049 0.534 3.644 460 HB ILE 59 HB ILE 59 8.033 1.033 3.653 461 1HG1 ILE 59 2HG1 ILE 59 7.271 0.709 1.358 462 2HG1 ILE 59 3HG1 ILE 59 8.199 -0.663 1.928 463 1HG2 ILE 59 1HG2 ILE 59 8.125 -1.437 4.162 464 2HG2 ILE 59 2HG2 ILE 59 7.466 -0.451 5.463 465 3HG2 ILE 59 3HG2 ILE 59 6.370 -1.384 4.449 466 1HD1 ILE 59 1HD1 ILE 59 5.159 -0.534 1.666 467 2HD1 ILE 59 2HD1 ILE 59 6.305 -1.363 0.607 468 3HD1 ILE 59 3HD1 ILE 59 6.083 -1.939 2.261 469 H HIS 60 H HIS 60 6.911 3.363 4.917 470 HA HIS 60 HA HIS 60 6.665 2.680 7.677 471 1HB HIS 60 2HB HIS 60 6.729 5.445 6.422 472 2HB HIS 60 3HB HIS 60 6.819 5.080 8.134 473 HD1 HIS 60 1HD HIS 60 9.125 5.958 5.575 474 HD2 HIS 60 2HD HIS 60 8.963 3.124 8.679 475 HE1 HIS 60 1HE HIS 60 11.542 5.364 6.150 476 H THR 61 H THR 61 4.377 4.474 5.501 477 HA THR 61 HA THR 61 2.434 4.888 7.468 478 HB THR 61 HB THR 61 1.754 4.181 4.597 479 HG1 THR 61 1HG THR 61 2.282 6.367 4.148 480 1HG2 THR 61 1HG2 THR 61 -0.151 4.721 6.023 481 2HG2 THR 61 2HG2 THR 61 0.665 6.177 6.643 482 3HG2 THR 61 3HG2 THR 61 0.149 6.097 4.951 483 H ILE 62 H ILE 62 2.812 2.052 5.280 484 HA ILE 62 HA ILE 62 0.582 0.569 6.204 485 HB ILE 62 HB ILE 62 3.243 -0.346 5.048 486 1HG1 ILE 62 2HG1 ILE 62 1.824 1.123 3.562 487 2HG1 ILE 62 3HG1 ILE 62 2.197 -0.479 2.936 488 1HG2 ILE 62 1HG2 ILE 62 0.720 -1.933 5.547 489 2HG2 ILE 62 2HG2 ILE 62 1.990 -2.437 4.408 490 3HG2 ILE 62 3HG2 ILE 62 2.366 -2.272 6.124 491 1HD1 ILE 62 1HD1 ILE 62 -0.116 0.134 2.476 492 2HD1 ILE 62 2HD1 ILE 62 -0.079 -1.268 3.535 493 3HD1 ILE 62 3HD1 ILE 62 -0.449 0.339 4.206 494 H GLU 63 H GLU 63 3.992 0.313 7.285 495 HA GLU 63 HA GLU 63 3.678 -1.560 9.374 496 1HB GLU 63 2HB GLU 63 5.551 0.824 9.052 497 2HB GLU 63 3HB GLU 63 5.732 -0.404 10.308 498 1HG GLU 63 2HG GLU 63 6.202 -2.126 8.713 499 2HG GLU 63 3HG GLU 63 5.713 -1.115 7.348 500 H SER 64 H SER 64 3.704 1.986 9.518 501 HA SER 64 HA SER 64 3.303 2.352 12.242 502 1HB SER 64 2HB SER 64 4.057 4.101 10.771 503 2HB SER 64 3HB SER 64 2.537 4.099 9.865 504 HG SER 64 HG SER 64 2.681 5.778 11.463 505 H LEU 65 H LEU 65 0.729 2.256 9.669 506 HA LEU 65 HA LEU 65 -1.396 2.509 11.560 507 1HB LEU 65 2HB LEU 65 -1.199 1.468 8.718 508 2HB LEU 65 3HB LEU 65 -2.648 1.131 9.657 509 HG LEU 65 HG LEU 65 -3.040 3.045 8.309 510 1HD1 LEU 65 1HD1 LEU 65 -2.758 4.134 11.125 511 2HD1 LEU 65 2HD1 LEU 65 -3.985 4.501 9.905 512 3HD1 LEU 65 3HD1 LEU 65 -3.972 2.907 10.691 513 1HD2 LEU 65 1HD2 LEU 65 -0.678 4.371 9.710 514 2HD2 LEU 65 2HD2 LEU 65 -0.830 3.935 7.993 515 3HD2 LEU 65 3HD2 LEU 65 -1.857 5.199 8.681 516 H GLY 66 H GLY 66 0.081 -0.463 10.145 517 1HA GLY 66 2HA GLY 66 -0.666 -1.904 12.580 518 2HA GLY 66 1HA GLY 66 -1.683 -2.337 11.201 519 H PHE 67 H PHE 67 0.546 -2.144 9.213 520 HA PHE 67 HA PHE 67 0.422 -5.055 9.666 521 1HB PHE 67 2HB PHE 67 0.317 -3.484 7.105 522 2HB PHE 67 3HB PHE 67 -0.230 -5.137 7.384 523 HD1 PHE 67 1HD PHE 67 -2.197 -5.452 9.053 524 HD2 PHE 67 2HD PHE 67 -1.147 -1.571 7.494 525 HE1 PHE 67 1HE PHE 67 -4.487 -4.620 9.553 526 HE2 PHE 67 2HE PHE 67 -3.381 -0.734 8.080 527 HZ PHE 67 HZ PHE 67 -5.102 -2.268 8.977 528 H GLU 68 H GLU 68 1.991 -6.506 8.999 529 HA GLU 68 HA GLU 68 4.670 -5.443 8.472 530 1HB GLU 68 2HB GLU 68 4.143 -7.513 9.881 531 2HB GLU 68 3HB GLU 68 3.708 -8.313 8.366 532 1HG GLU 68 2HG GLU 68 6.079 -7.682 7.543 533 2HG GLU 68 3HG GLU 68 6.426 -7.212 9.215 534 H ALA 69 H ALA 69 5.385 -5.012 6.434 535 HA ALA 69 HA ALA 69 3.705 -5.773 4.106 536 1HB ALA 69 1HB ALA 69 4.228 -3.370 4.502 537 2HB ALA 69 2HB ALA 69 5.957 -3.748 4.346 538 3HB ALA 69 3HB ALA 69 4.868 -3.970 2.958 539 H SER 70 H SER 70 4.696 -6.622 2.184 540 HA SER 70 HA SER 70 7.584 -7.278 2.208 541 1HB SER 70 2HB SER 70 5.368 -9.333 1.794 542 2HB SER 70 3HB SER 70 7.097 -9.613 1.525 543 HG SER 70 HG SER 70 6.734 -8.542 3.962 544 H LEU 71 H LEU 71 8.259 -6.337 0.324 545 HA LEU 71 HA LEU 71 6.540 -5.674 -1.895 546 1HB LEU 71 2HB LEU 71 9.572 -5.936 -1.597 547 2HB LEU 71 3HB LEU 71 8.764 -5.445 -3.084 548 HG LEU 71 HG LEU 71 7.784 -3.487 -1.940 549 1HD1 LEU 71 1HD1 LEU 71 8.848 -2.698 0.189 550 2HD1 LEU 71 2HD1 LEU 71 7.837 -4.114 0.448 551 3HD1 LEU 71 3HD1 LEU 71 9.604 -4.291 0.379 552 1HD2 LEU 71 1HD2 LEU 71 9.873 -2.190 -1.911 553 2HD2 LEU 71 2HD2 LEU 71 10.815 -3.694 -1.829 554 3HD2 LEU 71 3HD2 LEU 71 9.841 -3.326 -3.270 555 H VAL 72 H VAL 72 5.777 -7.023 -3.503 556 HA VAL 72 HA VAL 72 7.224 -9.600 -3.952 557 HB VAL 72 HB VAL 72 5.092 -10.588 -4.545 558 1HG1 VAL 72 1HG1 VAL 72 4.333 -10.928 -2.296 559 2HG1 VAL 72 2HG1 VAL 72 6.087 -10.705 -2.241 560 3HG1 VAL 72 3HG1 VAL 72 5.014 -9.367 -1.782 561 1HG2 VAL 72 1HG2 VAL 72 3.729 -8.104 -3.436 562 2HG2 VAL 72 2HG2 VAL 72 3.777 -8.544 -5.159 563 3HG2 VAL 72 3HG2 VAL 72 2.960 -9.593 -4.004 564 H LYS 73 H LYS 73 7.912 -10.048 -5.925 565 HA LYS 73 HA LYS 73 7.632 -8.075 -8.054 566 1HB LYS 73 2HB LYS 73 8.989 -10.785 -7.824 567 2HB LYS 73 3HB LYS 73 8.897 -9.909 -9.350 568 1HG LYS 73 2HG LYS 73 10.163 -8.748 -6.826 569 2HG LYS 73 3HG LYS 73 11.040 -9.584 -8.122 570 1HD LYS 73 2HD LYS 73 10.080 -7.918 -9.772 571 2HD LYS 73 3HD LYS 73 9.440 -7.002 -8.396 572 1HE LYS 73 2HE LYS 73 11.742 -6.705 -7.520 573 2HE LYS 73 3HE LYS 73 12.380 -7.561 -8.942 574 1HZ LYS 73 1HZ LYS 73 12.373 -5.118 -9.256 575 2HZ LYS 73 2HZ LYS 73 11.330 -5.846 -10.329 576 3HZ LYS 73 3HZ LYS 73 10.712 -5.119 -9.087 577 H ILE 74 H ILE 74 5.338 -8.053 -8.065 578 HA ILE 74 HA ILE 74 3.912 -10.152 -9.470 579 HB ILE 74 HB ILE 74 2.957 -8.279 -8.106 580 1HG1 ILE 74 2HG1 ILE 74 1.684 -9.766 -9.809 581 2HG1 ILE 74 3HG1 ILE 74 0.916 -8.389 -9.024 582 1HG2 ILE 74 1HG2 ILE 74 3.462 -6.568 -10.579 583 2HG2 ILE 74 2HG2 ILE 74 2.457 -6.122 -9.200 584 3HG2 ILE 74 3HG2 ILE 74 4.200 -6.376 -8.981 585 1HD1 ILE 74 1HD1 ILE 74 0.332 -8.556 -11.403 586 2HD1 ILE 74 2HD1 ILE 74 1.102 -7.017 -11.008 587 3HD1 ILE 74 3HD1 ILE 74 2.016 -8.279 -11.858 588 H GLU 75 H GLU 75 6.136 -7.646 -10.344 589 HA GLU 75 HA GLU 75 5.802 -7.034 -12.987 590 1HB GLU 75 2HB GLU 75 8.367 -7.766 -11.527 591 2HB GLU 75 3HB GLU 75 8.285 -6.837 -13.018 592 1HG GLU 75 2HG GLU 75 7.259 -4.951 -11.908 593 2HG GLU 75 3HG GLU 75 7.015 -5.857 -10.409 Start of MODEL 5 1 1H MET 1 H1 MET 1 1.669 1.874 -13.441 2 2H MET 1 H2 MET 1 1.945 0.483 -12.550 3 3H MET 1 H3 MET 1 3.168 1.482 -13.047 4 HA MET 1 HA MET 1 3.376 -0.220 -14.528 5 1HB MET 1 2HB MET 1 0.343 -0.090 -14.860 6 2HB MET 1 3HB MET 1 1.455 -1.064 -15.831 7 1HG MET 1 2HG MET 1 2.191 -2.238 -13.710 8 2HG MET 1 3HG MET 1 0.942 -1.335 -12.841 9 1HE MET 1 1HE MET 1 1.732 -4.220 -15.324 10 2HE MET 1 2HE MET 1 0.111 -4.724 -15.844 11 3HE MET 1 3HE MET 1 0.776 -3.181 -16.413 12 H GLY 2 H GLY 2 4.422 0.856 -16.198 13 1HA GLY 2 2HA GLY 2 4.879 2.608 -17.659 14 2HA GLY 2 1HA GLY 2 3.215 3.207 -17.536 15 H ASP 3 H ASP 3 2.608 3.842 -15.136 16 HA ASP 3 HA ASP 3 4.655 5.557 -13.919 17 1HB ASP 3 2HB ASP 3 3.016 6.143 -12.334 18 2HB ASP 3 3HB ASP 3 2.200 6.111 -13.893 19 H GLY 4 H GLY 4 4.927 5.127 -11.358 20 1HA GLY 4 2HA GLY 4 6.407 2.644 -11.219 21 2HA GLY 4 1HA GLY 4 6.127 3.808 -9.915 22 H VAL 5 H VAL 5 5.325 0.683 -10.989 23 HA VAL 5 HA VAL 5 2.791 0.550 -9.466 24 HB VAL 5 HB VAL 5 3.044 -0.827 -11.488 25 1HG1 VAL 5 1HG1 VAL 5 4.428 -2.817 -11.513 26 2HG1 VAL 5 2HG1 VAL 5 5.463 -1.387 -11.353 27 3HG1 VAL 5 3HG1 VAL 5 5.125 -2.413 -9.938 28 1HG2 VAL 5 1HG2 VAL 5 1.558 -1.478 -9.573 29 2HG2 VAL 5 2HG2 VAL 5 2.105 -2.844 -10.565 30 3HG2 VAL 5 3HG2 VAL 5 2.852 -2.544 -8.989 31 H LEU 6 H LEU 6 2.639 -0.350 -7.388 32 HA LEU 6 HA LEU 6 5.116 -1.316 -6.065 33 1HB LEU 6 2HB LEU 6 4.484 1.144 -5.606 34 2HB LEU 6 3HB LEU 6 3.044 0.539 -4.841 35 HG LEU 6 HG LEU 6 4.463 0.902 -3.081 36 1HD1 LEU 6 1HD1 LEU 6 5.091 -2.015 -3.727 37 2HD1 LEU 6 2HD1 LEU 6 5.362 -1.200 -2.192 38 3HD1 LEU 6 3HD1 LEU 6 3.705 -1.395 -2.796 39 1HD2 LEU 6 1HD2 LEU 6 6.420 1.550 -4.239 40 2HD2 LEU 6 2HD2 LEU 6 6.904 0.306 -3.079 41 3HD2 LEU 6 3HD2 LEU 6 6.753 -0.098 -4.805 42 H GLU 7 H GLU 7 4.316 -3.467 -6.368 43 HA GLU 7 HA GLU 7 1.764 -4.104 -4.962 44 1HB GLU 7 2HB GLU 7 3.302 -5.586 -7.095 45 2HB GLU 7 3HB GLU 7 2.128 -6.400 -6.028 46 1HG GLU 7 2HG GLU 7 0.405 -4.758 -6.548 47 2HG GLU 7 3HG GLU 7 1.603 -3.804 -7.434 48 H LEU 8 H LEU 8 2.069 -4.268 -2.912 49 HA LEU 8 HA LEU 8 4.320 -6.004 -2.006 50 1HB LEU 8 2HB LEU 8 4.206 -4.835 0.172 51 2HB LEU 8 3HB LEU 8 4.745 -3.848 -1.185 52 HG LEU 8 HG LEU 8 2.347 -2.892 -1.232 53 1HD1 LEU 8 1HD1 LEU 8 2.415 -4.258 1.522 54 2HD1 LEU 8 2HD1 LEU 8 1.306 -2.951 1.105 55 3HD1 LEU 8 3HD1 LEU 8 1.188 -4.488 0.267 56 1HD2 LEU 8 1HD2 LEU 8 2.971 -1.198 0.276 57 2HD2 LEU 8 2HD2 LEU 8 3.964 -2.300 1.263 58 3HD2 LEU 8 3HD2 LEU 8 4.488 -1.815 -0.343 59 H VAL 9 H VAL 9 3.915 -7.630 -0.596 60 HA VAL 9 HA VAL 9 1.121 -8.459 -0.214 61 HB VAL 9 HB VAL 9 3.822 -9.568 0.563 62 1HG1 VAL 9 1HG1 VAL 9 2.620 -11.446 1.678 63 2HG1 VAL 9 2HG1 VAL 9 2.521 -9.929 2.577 64 3HG1 VAL 9 3HG1 VAL 9 1.119 -10.493 1.632 65 1HG2 VAL 9 1HG2 VAL 9 2.784 -10.006 -1.690 66 2HG2 VAL 9 2HG2 VAL 9 3.022 -11.484 -0.738 67 3HG2 VAL 9 3HG2 VAL 9 1.405 -10.764 -0.880 68 H VAL 10 H VAL 10 -0.029 -7.975 1.627 69 HA VAL 10 HA VAL 10 1.287 -6.424 3.789 70 HB VAL 10 HB VAL 10 0.080 -4.865 2.365 71 1HG1 VAL 10 1HG1 VAL 10 -1.589 -6.309 1.329 72 2HG1 VAL 10 2HG1 VAL 10 -2.423 -6.517 2.882 73 3HG1 VAL 10 3HG1 VAL 10 -2.345 -4.922 2.119 74 1HG2 VAL 10 1HG2 VAL 10 -1.312 -3.826 4.076 75 2HG2 VAL 10 2HG2 VAL 10 -1.345 -5.330 5.013 76 3HG2 VAL 10 3HG2 VAL 10 0.182 -4.467 4.780 77 H ARG 11 H ARG 11 0.695 -7.059 5.834 78 HA ARG 11 HA ARG 11 -1.300 -9.260 6.114 79 1HB ARG 11 2HB ARG 11 1.672 -9.332 6.801 80 2HB ARG 11 3HB ARG 11 0.487 -10.472 7.437 81 1HG ARG 11 2HG ARG 11 -0.140 -10.991 5.009 82 2HG ARG 11 3HG ARG 11 1.264 -10.025 4.533 83 1HD ARG 11 2HD ARG 11 2.747 -11.472 5.883 84 2HD ARG 11 3HD ARG 11 1.394 -12.506 6.327 85 HE ARG 11 HE ARG 11 2.918 -12.490 3.877 86 1HH1 ARG 11 2HH2 ARG 11 -0.319 -13.118 5.101 87 2HH1 ARG 11 1HH2 ARG 11 -0.790 -14.200 3.826 88 1HH2 ARG 11 2HH1 ARG 11 2.352 -13.925 2.152 89 2HH2 ARG 11 1HH1 ARG 11 0.785 -14.662 2.101 90 H GLY 12 H GLY 12 -1.996 -9.611 8.258 91 1HA GLY 12 2HA GLY 12 -2.227 -8.974 10.550 92 2HA GLY 12 1HA GLY 12 -1.532 -7.385 10.204 93 H MET 13 H MET 13 -2.884 -6.741 7.864 94 HA MET 13 HA MET 13 -5.149 -5.481 8.657 95 1HB MET 13 2HB MET 13 -5.648 -5.203 6.247 96 2HB MET 13 3HB MET 13 -3.963 -4.909 6.677 97 1HG MET 13 2HG MET 13 -3.419 -6.257 4.990 98 2HG MET 13 3HG MET 13 -3.915 -7.597 6.002 99 1HE MET 13 1HE MET 13 -4.717 -5.211 3.149 100 2HE MET 13 2HE MET 13 -6.283 -5.766 2.513 101 3HE MET 13 3HE MET 13 -6.211 -4.900 4.063 102 H THR 14 H THR 14 -6.972 -6.198 9.554 103 HA THR 14 HA THR 14 -8.385 -8.565 8.504 104 HB THR 14 HB THR 14 -9.866 -8.097 10.450 105 HG1 THR 14 1HG THR 14 -9.356 -5.840 10.504 106 1HG2 THR 14 1HG2 THR 14 -6.908 -8.263 11.191 107 2HG2 THR 14 2HG2 THR 14 -8.281 -8.777 12.185 108 3HG2 THR 14 3HG2 THR 14 -7.912 -9.636 10.675 109 H CYS 15 H CYS 15 -9.614 -8.175 6.784 110 HA CYS 15 HA CYS 15 -11.597 -7.680 5.787 111 1HB CYS 15 2HB CYS 15 -12.248 -6.466 8.509 112 2HB CYS 15 3HB CYS 15 -13.412 -6.970 7.279 113 HG CYS 15 HG CYS 15 -13.395 -8.690 9.198 114 H ALA 16 H ALA 16 -13.300 -6.033 5.414 115 HA ALA 16 HA ALA 16 -12.721 -3.942 3.841 116 1HB ALA 16 1HB ALA 16 -14.928 -4.868 4.275 117 2HB ALA 16 2HB ALA 16 -14.954 -4.120 5.885 118 3HB ALA 16 3HB ALA 16 -14.949 -3.093 4.428 119 H SER 17 H SER 17 -12.809 -3.820 7.413 120 HA SER 17 HA SER 17 -12.446 -1.015 7.671 121 1HB SER 17 2HB SER 17 -11.831 -1.548 9.967 122 2HB SER 17 3HB SER 17 -13.314 -2.352 9.442 123 HG SER 17 HG SER 17 -11.398 -4.069 8.855 124 H CYS 18 H CYS 18 -9.842 -3.674 7.794 125 HA CYS 18 HA CYS 18 -7.837 -1.581 8.178 126 1HB CYS 18 2HB CYS 18 -7.648 -4.534 7.530 127 2HB CYS 18 3HB CYS 18 -6.249 -3.442 7.646 128 HG CYS 18 HG CYS 18 -8.597 -3.888 9.906 129 H VAL 19 H VAL 19 -9.301 -3.420 5.541 130 HA VAL 19 HA VAL 19 -7.749 -2.659 3.424 131 HB VAL 19 HB VAL 19 -10.654 -3.241 3.786 132 1HG1 VAL 19 1HG1 VAL 19 -10.824 -1.721 1.935 133 2HG1 VAL 19 2HG1 VAL 19 -9.478 -2.528 1.093 134 3HG1 VAL 19 3HG1 VAL 19 -11.017 -3.374 1.359 135 1HG2 VAL 19 1HG2 VAL 19 -10.175 -5.286 2.649 136 2HG2 VAL 19 2HG2 VAL 19 -8.574 -4.711 2.158 137 3HG2 VAL 19 3HG2 VAL 19 -8.910 -5.048 3.867 138 H HIS 20 H HIS 20 -10.772 -0.876 4.401 139 HA HIS 20 HA HIS 20 -10.032 1.270 2.692 140 1HB HIS 20 2HB HIS 20 -11.986 2.224 3.016 141 2HB HIS 20 3HB HIS 20 -12.388 0.560 3.402 142 HD1 HIS 20 1HD HIS 20 -14.188 2.989 4.287 143 HD2 HIS 20 2HD HIS 20 -11.230 1.207 6.651 144 HE1 HIS 20 1HE HIS 20 -14.750 3.490 6.740 145 H LYS 21 H LYS 21 -9.245 0.633 6.058 146 HA LYS 21 HA LYS 21 -8.462 3.244 6.790 147 1HB LYS 21 2HB LYS 21 -8.620 1.276 8.343 148 2HB LYS 21 3HB LYS 21 -7.186 0.587 7.580 149 1HG LYS 21 2HG LYS 21 -6.517 1.570 9.617 150 2HG LYS 21 3HG LYS 21 -5.863 2.589 8.327 151 1HD LYS 21 2HD LYS 21 -7.677 4.211 8.642 152 2HD LYS 21 3HD LYS 21 -8.483 3.117 9.791 153 1HE LYS 21 2HE LYS 21 -6.466 3.320 11.308 154 2HE LYS 21 3HE LYS 21 -5.785 4.507 10.181 155 1HZ LYS 21 1HZ LYS 21 -6.899 5.557 12.002 156 2HZ LYS 21 2HZ LYS 21 -7.693 5.905 10.605 157 3HZ LYS 21 3HZ LYS 21 -8.316 4.801 11.657 158 H ILE 22 H ILE 22 -6.581 0.565 5.295 159 HA ILE 22 HA ILE 22 -4.134 1.958 4.934 160 HB ILE 22 HB ILE 22 -5.459 -0.309 3.414 161 1HG1 ILE 22 2HG1 ILE 22 -3.025 -0.383 5.228 162 2HG1 ILE 22 3HG1 ILE 22 -4.673 -0.482 5.867 163 1HG2 ILE 22 1HG2 ILE 22 -3.167 -0.765 2.453 164 2HG2 ILE 22 2HG2 ILE 22 -3.923 0.690 1.815 165 3HG2 ILE 22 3HG2 ILE 22 -2.662 0.824 3.058 166 1HD1 ILE 22 1HD1 ILE 22 -3.405 -2.458 3.967 167 2HD1 ILE 22 2HD1 ILE 22 -3.890 -2.705 5.652 168 3HD1 ILE 22 3HD1 ILE 22 -5.132 -2.442 4.418 169 H GLU 23 H GLU 23 -6.786 1.417 2.543 170 HA GLU 23 HA GLU 23 -5.639 2.994 0.536 171 1HB GLU 23 2HB GLU 23 -8.557 2.355 1.113 172 2HB GLU 23 3HB GLU 23 -7.982 3.074 -0.398 173 1HG GLU 23 2HG GLU 23 -6.516 1.164 -0.829 174 2HG GLU 23 3HG GLU 23 -6.950 0.420 0.716 175 H SER 24 H SER 24 -8.104 4.028 2.945 176 HA SER 24 HA SER 24 -8.244 6.724 2.111 177 1HB SER 24 2HB SER 24 -9.895 5.616 3.576 178 2HB SER 24 3HB SER 24 -8.721 5.556 4.899 179 HG SER 24 HG SER 24 -9.692 7.911 3.626 180 H SER 25 H SER 25 -6.012 5.171 4.470 181 HA SER 25 HA SER 25 -4.806 7.613 5.379 182 1HB SER 25 2HB SER 25 -4.572 5.253 6.408 183 2HB SER 25 3HB SER 25 -3.377 4.951 5.112 184 HG SER 25 HG SER 25 -2.331 5.722 6.954 185 H LEU 26 H LEU 26 -3.976 5.282 2.787 186 HA LEU 26 HA LEU 26 -1.558 6.656 2.053 187 1HB LEU 26 2HB LEU 26 -3.181 4.393 0.903 188 2HB LEU 26 3HB LEU 26 -1.923 5.177 -0.066 189 HG LEU 26 HG LEU 26 -0.183 4.674 1.408 190 1HD1 LEU 26 1HD1 LEU 26 -2.125 3.389 3.373 191 2HD1 LEU 26 2HD1 LEU 26 -0.362 3.419 3.478 192 3HD1 LEU 26 3HD1 LEU 26 -1.267 4.925 3.635 193 1HD2 LEU 26 1HD2 LEU 26 -0.265 2.228 1.299 194 2HD2 LEU 26 2HD2 LEU 26 -2.033 2.266 1.128 195 3HD2 LEU 26 3HD2 LEU 26 -1.003 2.946 -0.147 196 H THR 27 H THR 27 -4.928 6.830 0.698 197 HA THR 27 HA THR 27 -4.096 8.617 -1.409 198 HB THR 27 HB THR 27 -6.832 8.252 -0.164 199 HG1 THR 27 1HG THR 27 -5.479 6.758 -2.155 200 1HG2 THR 27 1HG2 THR 27 -6.748 10.098 -1.844 201 2HG2 THR 27 2HG2 THR 27 -5.958 9.007 -3.003 202 3HG2 THR 27 3HG2 THR 27 -7.626 8.700 -2.478 203 H LYS 28 H LYS 28 -2.677 9.807 0.321 204 HA LYS 28 HA LYS 28 -3.928 12.376 1.007 205 1HB LYS 28 2HB LYS 28 -2.451 10.696 3.082 206 2HB LYS 28 3HB LYS 28 -3.046 12.332 3.310 207 1HG LYS 28 2HG LYS 28 -4.738 9.850 2.775 208 2HG LYS 28 3HG LYS 28 -4.404 10.431 4.367 209 1HD LYS 28 2HD LYS 28 -5.777 12.263 2.343 210 2HD LYS 28 3HD LYS 28 -6.660 10.957 3.109 211 1HE LYS 28 2HE LYS 28 -6.997 13.053 4.331 212 2HE LYS 28 3HE LYS 28 -6.246 11.808 5.338 213 1HZ LYS 28 1HZ LYS 28 -4.804 14.013 4.018 214 2HZ LYS 28 2HZ LYS 28 -5.204 13.954 5.615 215 3HZ LYS 28 3HZ LYS 28 -4.137 12.866 4.992 216 H HIS 29 H HIS 29 -0.865 10.633 1.792 217 HA HIS 29 HA HIS 29 0.707 12.932 1.297 218 1HB HIS 29 2HB HIS 29 2.675 11.531 1.533 219 2HB HIS 29 3HB HIS 29 1.518 11.443 2.852 220 HD1 HIS 29 1HD HIS 29 3.598 9.241 2.826 221 HD2 HIS 29 2HD HIS 29 -0.127 9.000 0.929 222 HE1 HIS 29 1HE HIS 29 3.023 6.765 2.597 223 H ARG 30 H ARG 30 1.176 13.887 -0.484 224 HA ARG 30 HA ARG 30 -0.121 12.954 -2.776 225 1HB ARG 30 2HB ARG 30 1.548 15.452 -2.375 226 2HB ARG 30 3HB ARG 30 0.386 15.154 -3.687 227 1HG ARG 30 2HG ARG 30 -1.465 15.020 -2.085 228 2HG ARG 30 3HG ARG 30 -0.357 15.313 -0.741 229 1HD ARG 30 2HD ARG 30 -1.519 17.357 -1.364 230 2HD ARG 30 3HD ARG 30 0.206 17.545 -1.592 231 HE ARG 30 HE ARG 30 -1.949 17.396 -3.626 232 1HH1 ARG 30 2HH2 ARG 30 1.551 17.488 -3.136 233 2HH1 ARG 30 1HH2 ARG 30 1.921 18.034 -4.738 234 1HH2 ARG 30 2HH1 ARG 30 -1.486 18.108 -5.766 235 2HH2 ARG 30 1HH1 ARG 30 0.151 18.382 -6.262 236 H GLY 31 H GLY 31 2.027 11.139 -2.676 237 1HA GLY 31 2HA GLY 31 2.944 11.662 -5.484 238 2HA GLY 31 1HA GLY 31 4.084 10.992 -4.318 239 H ILE 32 H ILE 32 1.032 9.891 -3.565 240 HA ILE 32 HA ILE 32 1.423 7.261 -4.843 241 HB ILE 32 HB ILE 32 1.278 7.550 -2.436 242 1HG1 ILE 32 2HG1 ILE 32 0.684 5.401 -3.089 243 2HG1 ILE 32 3HG1 ILE 32 -0.444 5.920 -1.830 244 1HG2 ILE 32 1HG2 ILE 32 -0.283 8.463 -1.251 245 2HG2 ILE 32 2HG2 ILE 32 -0.585 9.480 -2.656 246 3HG2 ILE 32 3HG2 ILE 32 -1.637 8.106 -2.349 247 1HD1 ILE 32 1HD1 ILE 32 -2.145 6.418 -3.666 248 2HD1 ILE 32 2HD1 ILE 32 -0.994 5.663 -4.791 249 3HD1 ILE 32 3HD1 ILE 32 -1.678 4.724 -3.460 250 H LEU 33 H LEU 33 0.304 6.887 -6.701 251 HA LEU 33 HA LEU 33 -1.659 8.902 -7.642 252 1HB LEU 33 2HB LEU 33 -0.234 6.553 -8.959 253 2HB LEU 33 3HB LEU 33 -1.423 7.563 -9.777 254 HG LEU 33 HG LEU 33 1.130 8.704 -8.556 255 1HD1 LEU 33 1HD1 LEU 33 1.765 7.079 -10.239 256 2HD1 LEU 33 2HD1 LEU 33 0.562 7.718 -11.384 257 3HD1 LEU 33 3HD1 LEU 33 1.962 8.699 -10.920 258 1HD2 LEU 33 1HD2 LEU 33 -0.886 9.774 -10.593 259 2HD2 LEU 33 2HD2 LEU 33 -0.625 10.392 -8.946 260 3HD2 LEU 33 3HD2 LEU 33 0.642 10.561 -10.161 261 H TYR 34 H TYR 34 -1.465 5.385 -6.932 262 HA TYR 34 HA TYR 34 -4.419 5.367 -6.804 263 1HB TYR 34 2HB TYR 34 -3.518 4.815 -9.178 264 2HB TYR 34 3HB TYR 34 -2.840 3.355 -8.453 265 HD1 TYR 34 HD1 TYR 34 -5.999 5.337 -8.741 266 HD2 TYR 34 HD2 TYR 34 -4.266 1.416 -8.272 267 HE1 TYR 34 HE1 TYR 34 -8.244 4.363 -8.666 268 HE2 TYR 34 HE2 TYR 34 -6.514 0.415 -8.369 269 HH TYR 34 HH TYR 34 -8.801 0.825 -8.348 270 H CYS 35 H CYS 35 -5.252 3.689 -5.515 271 HA CYS 35 HA CYS 35 -3.364 1.871 -4.125 272 1HB CYS 35 2HB CYS 35 -4.349 2.371 -1.984 273 2HB CYS 35 3HB CYS 35 -3.679 3.865 -2.662 274 HG CYS 35 HG CYS 35 -5.839 4.529 -1.442 275 H SER 36 H SER 36 -4.154 -0.141 -4.154 276 HA SER 36 HA SER 36 -7.036 -0.550 -3.810 277 1HB SER 36 2HB SER 36 -6.740 -0.519 -6.252 278 2HB SER 36 3HB SER 36 -5.523 -1.808 -6.130 279 HG SER 36 HG SER 36 -8.225 -1.978 -5.233 280 H VAL 37 H VAL 37 -6.850 -1.592 -1.876 281 HA VAL 37 HA VAL 37 -4.622 -3.515 -1.557 282 HB VAL 37 HB VAL 37 -4.838 -1.664 0.065 283 1HG1 VAL 37 1HG1 VAL 37 -7.318 -1.886 0.500 284 2HG1 VAL 37 2HG1 VAL 37 -6.934 -3.375 1.397 285 3HG1 VAL 37 3HG1 VAL 37 -6.255 -1.831 1.924 286 1HG2 VAL 37 1HG2 VAL 37 -4.188 -3.182 1.918 287 2HG2 VAL 37 2HG2 VAL 37 -4.738 -4.566 0.935 288 3HG2 VAL 37 3HG2 VAL 37 -3.396 -3.552 0.383 289 H ALA 38 H ALA 38 -5.090 -5.185 -2.649 290 HA ALA 38 HA ALA 38 -7.741 -6.449 -2.610 291 1HB ALA 38 1HB ALA 38 -6.666 -8.013 -4.204 292 2HB ALA 38 2HB ALA 38 -6.528 -6.317 -4.711 293 3HB ALA 38 3HB ALA 38 -5.127 -7.140 -4.000 294 H LEU 39 H LEU 39 -7.599 -6.646 -0.293 295 HA LEU 39 HA LEU 39 -6.243 -8.398 1.309 296 1HB LEU 39 2HB LEU 39 -8.184 -7.099 1.958 297 2HB LEU 39 3HB LEU 39 -9.268 -8.106 1.002 298 HG LEU 39 HG LEU 39 -7.557 -9.426 3.123 299 1HD1 LEU 39 1HD1 LEU 39 -9.260 -8.918 4.834 300 2HD1 LEU 39 2HD1 LEU 39 -8.442 -7.450 4.282 301 3HD1 LEU 39 3HD1 LEU 39 -10.080 -7.821 3.700 302 1HD2 LEU 39 1HD2 LEU 39 -10.455 -9.840 2.220 303 2HD2 LEU 39 2HD2 LEU 39 -9.090 -10.858 1.734 304 3HD2 LEU 39 3HD2 LEU 39 -9.593 -10.819 3.421 305 H ALA 40 H ALA 40 -8.463 -9.280 -1.339 306 HA ALA 40 HA ALA 40 -8.710 -12.043 -0.929 307 1HB ALA 40 1HB ALA 40 -9.950 -10.772 -2.642 308 2HB ALA 40 2HB ALA 40 -8.447 -10.529 -3.564 309 3HB ALA 40 3HB ALA 40 -9.112 -12.163 -3.360 310 H THR 41 H THR 41 -5.978 -10.202 -2.229 311 HA THR 41 HA THR 41 -4.356 -12.684 -2.602 312 HB THR 41 HB THR 41 -2.951 -11.007 -3.989 313 HG1 THR 41 1HG THR 41 -4.535 -9.243 -3.128 314 1HG2 THR 41 1HG2 THR 41 -4.280 -12.824 -5.008 315 2HG2 THR 41 2HG2 THR 41 -5.731 -11.800 -4.963 316 3HG2 THR 41 3HG2 THR 41 -4.354 -11.348 -5.988 317 H ASN 42 H ASN 42 -5.049 -10.719 -0.199 318 HA ASN 42 HA ASN 42 -4.024 -9.417 1.349 319 1HB ASN 42 2HB ASN 42 -2.844 -12.105 1.262 320 2HB ASN 42 3HB ASN 42 -1.738 -10.963 1.999 321 1HD2 ASN 42 1HD2 ASN 42 -2.692 -9.475 3.719 322 2HD2 ASN 42 2HD2 ASN 42 -3.935 -10.181 4.756 323 H LYS 43 H LYS 43 -3.608 -8.271 -1.023 324 HA LYS 43 HA LYS 43 -0.760 -7.409 -0.950 325 1HB LYS 43 2HB LYS 43 -0.732 -8.947 -2.669 326 2HB LYS 43 3HB LYS 43 -2.356 -8.560 -3.212 327 1HG LYS 43 2HG LYS 43 -0.248 -6.413 -3.506 328 2HG LYS 43 3HG LYS 43 -0.154 -7.799 -4.566 329 1HD LYS 43 2HD LYS 43 -2.757 -6.247 -4.227 330 2HD LYS 43 3HD LYS 43 -1.493 -5.750 -5.348 331 1HE LYS 43 2HE LYS 43 -2.701 -8.546 -5.410 332 2HE LYS 43 3HE LYS 43 -3.455 -7.198 -6.236 333 1HZ LYS 43 1HZ LYS 43 -0.720 -8.181 -6.739 334 2HZ LYS 43 2HZ LYS 43 -2.017 -8.369 -7.723 335 3HZ LYS 43 3HZ LYS 43 -1.350 -6.897 -7.491 336 H ALA 44 H ALA 44 -0.355 -5.321 -1.293 337 HA ALA 44 HA ALA 44 -2.621 -3.453 -1.861 338 1HB ALA 44 1HB ALA 44 -1.138 -3.185 0.295 339 2HB ALA 44 2HB ALA 44 0.059 -2.564 -0.858 340 3HB ALA 44 3HB ALA 44 -1.529 -1.794 -0.722 341 H HIS 45 H HIS 45 -2.816 -3.258 -3.964 342 HA HIS 45 HA HIS 45 -0.394 -2.893 -5.682 343 1HB HIS 45 2HB HIS 45 -2.431 -4.209 -6.534 344 2HB HIS 45 3HB HIS 45 -3.312 -2.686 -6.458 345 HD1 HIS 45 1HD HIS 45 -1.323 -4.654 -8.848 346 HD2 HIS 45 2HD HIS 45 -1.755 -0.618 -7.810 347 HE1 HIS 45 1HE HIS 45 -0.624 -3.320 -10.893 348 H ILE 46 H ILE 46 0.450 -1.052 -4.829 349 HA ILE 46 HA ILE 46 -1.269 1.375 -4.973 350 HB ILE 46 HB ILE 46 1.304 0.758 -3.544 351 1HG1 ILE 46 2HG1 ILE 46 0.268 2.220 -1.853 352 2HG1 ILE 46 3HG1 ILE 46 -1.145 2.454 -2.884 353 1HG2 ILE 46 1HG2 ILE 46 1.989 2.638 -5.001 354 2HG2 ILE 46 2HG2 ILE 46 0.535 3.540 -4.514 355 3HG2 ILE 46 3HG2 ILE 46 1.805 3.162 -3.339 356 1HD1 ILE 46 1HD1 ILE 46 -1.731 0.093 -2.674 357 2HD1 ILE 46 2HD1 ILE 46 -0.171 -0.252 -1.880 358 3HD1 ILE 46 3HD1 ILE 46 -1.408 0.723 -1.059 359 H LYS 47 H LYS 47 -0.548 3.014 -6.436 360 HA LYS 47 HA LYS 47 1.753 2.313 -8.080 361 1HB LYS 47 2HB LYS 47 -0.595 3.725 -9.358 362 2HB LYS 47 3HB LYS 47 0.900 3.062 -10.087 363 1HG LYS 47 2HG LYS 47 0.111 0.776 -9.379 364 2HG LYS 47 3HG LYS 47 -1.463 1.494 -9.015 365 1HD LYS 47 2HD LYS 47 -0.007 1.464 -11.690 366 2HD LYS 47 3HD LYS 47 -1.420 0.499 -11.245 367 1HE LYS 47 2HE LYS 47 -2.442 2.135 -12.479 368 2HE LYS 47 3HE LYS 47 -2.578 2.859 -10.874 369 1HZ LYS 47 1HZ LYS 47 -0.562 4.202 -11.466 370 2HZ LYS 47 2HZ LYS 47 -0.419 3.461 -12.841 371 3HZ LYS 47 3HZ LYS 47 -1.748 4.414 -12.584 372 H TYR 48 H TYR 48 3.029 4.283 -8.547 373 HA TYR 48 HA TYR 48 2.248 6.769 -7.275 374 1HB TYR 48 2HB TYR 48 3.735 6.627 -5.396 375 2HB TYR 48 3HB TYR 48 2.840 5.122 -5.374 376 HD1 TYR 48 HD1 TYR 48 4.081 3.138 -6.822 377 HD2 TYR 48 HD2 TYR 48 6.039 6.563 -5.090 378 HE1 TYR 48 HE1 TYR 48 6.266 2.014 -7.053 379 HE2 TYR 48 HE2 TYR 48 8.164 5.315 -5.041 380 HH TYR 48 HH TYR 48 8.496 2.080 -6.539 381 H ASP 49 H ASP 49 4.206 8.249 -7.077 382 HA ASP 49 HA ASP 49 5.841 8.085 -9.558 383 1HB ASP 49 2HB ASP 49 5.009 10.340 -7.739 384 2HB ASP 49 3HB ASP 49 6.138 10.520 -9.101 385 HA PRO 50 HA PRO 50 8.967 7.161 -6.274 386 1HB PRO 50 2HB PRO 50 10.836 5.858 -7.783 387 2HB PRO 50 3HB PRO 50 9.295 5.116 -7.321 388 1HG PRO 50 2HG PRO 50 9.903 6.546 -9.916 389 2HG PRO 50 3HG PRO 50 9.224 4.902 -9.711 390 1HD PRO 50 2HD PRO 50 7.620 7.013 -10.140 391 2HD PRO 50 3HD PRO 50 7.149 5.777 -8.928 392 H GLU 51 H GLU 51 8.932 9.621 -6.496 393 HA GLU 51 HA GLU 51 11.661 10.526 -6.605 394 1HB GLU 51 2HB GLU 51 11.232 12.369 -8.309 395 2HB GLU 51 3HB GLU 51 11.507 10.746 -8.938 396 1HG GLU 51 2HG GLU 51 9.139 10.435 -9.410 397 2HG GLU 51 3HG GLU 51 8.737 11.988 -8.657 398 H ILE 52 H ILE 52 8.238 11.530 -6.673 399 HA ILE 52 HA ILE 52 8.776 13.800 -4.851 400 HB ILE 52 HB ILE 52 6.327 14.191 -5.088 401 1HG1 ILE 52 2HG1 ILE 52 6.443 12.069 -7.275 402 2HG1 ILE 52 3HG1 ILE 52 5.659 11.848 -5.704 403 1HG2 ILE 52 1HG2 ILE 52 7.819 13.984 -7.729 404 2HG2 ILE 52 2HG2 ILE 52 6.566 15.172 -7.299 405 3HG2 ILE 52 3HG2 ILE 52 8.144 15.234 -6.507 406 1HD1 ILE 52 1HD1 ILE 52 3.979 12.447 -7.355 407 2HD1 ILE 52 2HD1 ILE 52 4.179 13.828 -6.257 408 3HD1 ILE 52 3HD1 ILE 52 4.897 13.848 -7.885 409 H ILE 53 H ILE 53 7.975 10.455 -4.705 410 HA ILE 53 HA ILE 53 7.995 10.633 -1.823 411 HB ILE 53 HB ILE 53 5.552 10.772 -2.713 412 1HG1 ILE 53 2HG1 ILE 53 6.191 8.491 -0.879 413 2HG1 ILE 53 3HG1 ILE 53 6.255 10.218 -0.445 414 1HG2 ILE 53 1HG2 ILE 53 6.012 7.788 -3.193 415 2HG2 ILE 53 2HG2 ILE 53 4.509 8.671 -3.425 416 3HG2 ILE 53 3HG2 ILE 53 5.873 9.028 -4.497 417 1HD1 ILE 53 1HD1 ILE 53 4.157 9.337 0.292 418 2HD1 ILE 53 2HD1 ILE 53 3.879 10.500 -1.017 419 3HD1 ILE 53 3HD1 ILE 53 3.738 8.751 -1.324 420 H GLY 54 H GLY 54 8.644 8.385 -0.980 421 1HA GLY 54 2HA GLY 54 10.060 6.862 -3.107 422 2HA GLY 54 1HA GLY 54 10.336 6.821 -1.358 423 HA PRO 55 HA PRO 55 7.251 3.351 -2.348 424 1HB PRO 55 2HB PRO 55 9.025 1.268 -1.992 425 2HB PRO 55 3HB PRO 55 8.639 1.976 -3.582 426 1HG PRO 55 2HG PRO 55 11.045 2.556 -1.873 427 2HG PRO 55 3HG PRO 55 10.966 2.256 -3.636 428 1HD PRO 55 2HD PRO 55 11.096 4.770 -2.587 429 2HD PRO 55 3HD PRO 55 10.167 4.415 -4.068 430 H ARG 56 H ARG 56 10.125 3.919 -0.359 431 HA ARG 56 HA ARG 56 9.539 2.669 2.049 432 1HB ARG 56 2HB ARG 56 11.123 5.090 1.226 433 2HB ARG 56 3HB ARG 56 10.696 4.953 2.928 434 1HG ARG 56 2HG ARG 56 12.865 3.955 2.545 435 2HG ARG 56 3HG ARG 56 11.689 2.774 3.139 436 1HD ARG 56 2HD ARG 56 11.393 1.920 0.816 437 2HD ARG 56 3HD ARG 56 12.625 3.085 0.253 438 HE ARG 56 HE ARG 56 13.771 1.643 2.365 439 1HH1 ARG 56 2HH2 ARG 56 12.516 0.932 -0.844 440 2HH1 ARG 56 1HH2 ARG 56 13.485 -0.487 -1.101 441 1HH2 ARG 56 2HH1 ARG 56 15.077 -0.243 2.082 442 2HH2 ARG 56 1HH1 ARG 56 14.990 -1.161 0.616 443 H ASP 57 H ASP 57 8.417 6.071 1.161 444 HA ASP 57 HA ASP 57 7.177 6.530 3.580 445 1HB ASP 57 2HB ASP 57 6.043 7.383 0.912 446 2HB ASP 57 3HB ASP 57 5.898 8.219 2.456 447 H ILE 58 H ILE 58 5.730 5.068 0.632 448 HA ILE 58 HA ILE 58 3.112 4.669 1.746 449 HB ILE 58 HB ILE 58 4.540 3.325 -0.587 450 1HG1 ILE 58 2HG1 ILE 58 2.559 4.549 -1.756 451 2HG1 ILE 58 3HG1 ILE 58 2.463 5.534 -0.302 452 1HG2 ILE 58 1HG2 ILE 58 2.909 1.716 0.370 453 2HG2 ILE 58 2HG2 ILE 58 1.666 2.984 0.293 454 3HG2 ILE 58 3HG2 ILE 58 2.414 2.338 -1.189 455 1HD1 ILE 58 1HD1 ILE 58 3.796 6.505 -2.196 456 2HD1 ILE 58 2HD1 ILE 58 4.757 6.343 -0.721 457 3HD1 ILE 58 3HD1 ILE 58 4.951 5.172 -2.050 458 H ILE 59 H ILE 59 5.853 2.428 1.350 459 HA ILE 59 HA ILE 59 4.706 0.145 2.622 460 HB ILE 59 HB ILE 59 7.585 1.105 2.554 461 1HG1 ILE 59 2HG1 ILE 59 6.305 -1.167 0.985 462 2HG1 ILE 59 3HG1 ILE 59 6.266 0.487 0.374 463 1HG2 ILE 59 1HG2 ILE 59 6.462 -1.610 3.396 464 2HG2 ILE 59 2HG2 ILE 59 8.178 -1.276 3.101 465 3HG2 ILE 59 3HG2 ILE 59 7.354 -0.472 4.423 466 1HD1 ILE 59 1HD1 ILE 59 8.763 0.581 0.546 467 2HD1 ILE 59 2HD1 ILE 59 8.762 -1.149 0.951 468 3HD1 ILE 59 3HD1 ILE 59 8.140 -0.609 -0.616 469 H HIS 60 H HIS 60 6.729 2.672 4.134 470 HA HIS 60 HA HIS 60 6.603 1.882 6.790 471 1HB HIS 60 2HB HIS 60 8.099 3.608 5.958 472 2HB HIS 60 3HB HIS 60 6.734 4.691 5.649 473 HD1 HIS 60 1HD HIS 60 5.669 5.894 7.799 474 HD2 HIS 60 2HD HIS 60 8.633 3.016 8.589 475 HE1 HIS 60 1HE HIS 60 6.188 6.048 10.296 476 H THR 61 H THR 61 4.401 4.066 4.956 477 HA THR 61 HA THR 61 2.749 4.694 7.197 478 HB THR 61 HB THR 61 1.987 4.697 4.253 479 HG1 THR 61 1HG THR 61 3.768 6.011 4.759 480 1HG2 THR 61 1HG2 THR 61 0.003 4.830 5.760 481 2HG2 THR 61 2HG2 THR 61 0.791 6.132 6.674 482 3HG2 THR 61 3HG2 THR 61 0.327 6.392 4.980 483 H ILE 62 H ILE 62 2.507 2.062 4.743 484 HA ILE 62 HA ILE 62 0.079 0.965 5.765 485 HB ILE 62 HB ILE 62 2.347 -0.369 4.264 486 1HG1 ILE 62 2HG1 ILE 62 -0.420 0.676 3.517 487 2HG1 ILE 62 3HG1 ILE 62 1.131 1.391 3.057 488 1HG2 ILE 62 1HG2 ILE 62 -0.447 -1.459 4.819 489 2HG2 ILE 62 2HG2 ILE 62 0.843 -2.248 3.891 490 3HG2 ILE 62 3HG2 ILE 62 1.023 -2.051 5.620 491 1HD1 ILE 62 1HD1 ILE 62 0.478 0.154 1.127 492 2HD1 ILE 62 2HD1 ILE 62 1.671 -0.851 1.965 493 3HD1 ILE 62 3HD1 ILE 62 -0.069 -1.220 2.093 494 H GLU 63 H GLU 63 3.477 -0.181 6.431 495 HA GLU 63 HA GLU 63 2.575 -2.041 8.329 496 1HB GLU 63 2HB GLU 63 4.880 -2.201 9.139 497 2HB GLU 63 3HB GLU 63 4.787 -2.218 7.377 498 1HG GLU 63 2HG GLU 63 5.373 0.202 7.363 499 2HG GLU 63 3HG GLU 63 5.618 0.129 9.119 500 H SER 64 H SER 64 3.670 1.286 8.806 501 HA SER 64 HA SER 64 3.538 1.381 11.589 502 1HB SER 64 2HB SER 64 4.700 3.041 10.202 503 2HB SER 64 3HB SER 64 3.141 3.665 9.624 504 HG SER 64 HG SER 64 2.791 3.811 12.106 505 H LEU 65 H LEU 65 0.684 1.477 9.361 506 HA LEU 65 HA LEU 65 -1.044 2.573 11.395 507 1HB LEU 65 2HB LEU 65 -1.490 0.720 9.049 508 2HB LEU 65 3HB LEU 65 -2.813 1.313 10.059 509 HG LEU 65 HG LEU 65 -0.864 3.328 8.902 510 1HD1 LEU 65 1HD1 LEU 65 -3.166 2.081 7.355 511 2HD1 LEU 65 2HD1 LEU 65 -2.137 3.440 6.829 512 3HD1 LEU 65 3HD1 LEU 65 -1.422 1.836 7.077 513 1HD2 LEU 65 1HD2 LEU 65 -2.565 4.065 10.505 514 2HD2 LEU 65 2HD2 LEU 65 -2.854 4.753 8.898 515 3HD2 LEU 65 3HD2 LEU 65 -3.843 3.389 9.469 516 H GLY 66 H GLY 66 -0.906 -0.896 10.353 517 1HA GLY 66 2HA GLY 66 -0.218 -1.714 13.040 518 2HA GLY 66 1HA GLY 66 -1.914 -2.073 12.668 519 H PHE 67 H PHE 67 0.732 -2.168 10.227 520 HA PHE 67 HA PHE 67 0.046 -5.082 9.898 521 1HB PHE 67 2HB PHE 67 0.596 -3.033 7.748 522 2HB PHE 67 3HB PHE 67 -0.027 -4.653 7.507 523 HD1 PHE 67 1HD PHE 67 -1.061 -1.505 7.089 524 HD2 PHE 67 2HD PHE 67 -2.169 -4.861 9.558 525 HE1 PHE 67 1HE PHE 67 -3.209 -0.420 7.617 526 HE2 PHE 67 2HE PHE 67 -4.339 -3.793 10.020 527 HZ PHE 67 HZ PHE 67 -4.951 -1.681 8.834 528 H GLU 68 H GLU 68 1.407 -6.174 8.347 529 HA GLU 68 HA GLU 68 4.306 -5.456 8.413 530 1HB GLU 68 2HB GLU 68 4.089 -7.627 9.379 531 2HB GLU 68 3HB GLU 68 2.815 -8.102 8.256 532 1HG GLU 68 2HG GLU 68 4.862 -9.277 7.728 533 2HG GLU 68 3HG GLU 68 4.492 -8.178 6.398 534 H ALA 69 H ALA 69 5.226 -5.391 6.249 535 HA ALA 69 HA ALA 69 3.392 -5.565 3.982 536 1HB ALA 69 1HB ALA 69 4.642 -2.891 4.780 537 2HB ALA 69 2HB ALA 69 3.701 -3.197 3.305 538 3HB ALA 69 3HB ALA 69 2.920 -3.304 4.893 539 H SER 70 H SER 70 4.513 -6.056 2.091 540 HA SER 70 HA SER 70 7.441 -5.543 1.875 541 1HB SER 70 2HB SER 70 6.092 -8.210 2.371 542 2HB SER 70 3HB SER 70 7.573 -8.139 1.427 543 HG SER 70 HG SER 70 7.386 -6.790 3.930 544 H LEU 71 H LEU 71 7.550 -4.679 -0.150 545 HA LEU 71 HA LEU 71 6.194 -5.076 -2.590 546 1HB LEU 71 2HB LEU 71 9.009 -4.540 -1.697 547 2HB LEU 71 3HB LEU 71 8.829 -5.132 -3.336 548 HG LEU 71 HG LEU 71 7.149 -2.808 -2.381 549 1HD1 LEU 71 1HD1 LEU 71 9.935 -2.694 -3.613 550 2HD1 LEU 71 2HD1 LEU 71 8.863 -1.305 -3.334 551 3HD1 LEU 71 3HD1 LEU 71 9.505 -2.217 -1.958 552 1HD2 LEU 71 1HD2 LEU 71 7.183 -2.319 -4.847 553 2HD2 LEU 71 2HD2 LEU 71 8.177 -3.752 -5.115 554 3HD2 LEU 71 3HD2 LEU 71 6.514 -3.925 -4.531 555 H VAL 72 H VAL 72 5.752 -6.859 -3.800 556 HA VAL 72 HA VAL 72 7.723 -9.082 -3.874 557 HB VAL 72 HB VAL 72 5.919 -10.670 -4.126 558 1HG1 VAL 72 1HG1 VAL 72 5.144 -10.764 -1.878 559 2HG1 VAL 72 2HG1 VAL 72 6.752 -10.013 -1.831 560 3HG1 VAL 72 3HG1 VAL 72 5.293 -9.003 -1.709 561 1HG2 VAL 72 1HG2 VAL 72 4.157 -9.269 -5.181 562 2HG2 VAL 72 2HG2 VAL 72 3.565 -10.139 -3.781 563 3HG2 VAL 72 3HG2 VAL 72 3.934 -8.405 -3.647 564 H LYS 73 H LYS 73 8.187 -9.801 -5.965 565 HA LYS 73 HA LYS 73 6.869 -8.427 -8.235 566 1HB LYS 73 2HB LYS 73 9.091 -10.460 -7.997 567 2HB LYS 73 3HB LYS 73 8.141 -10.386 -9.464 568 1HG LYS 73 2HG LYS 73 9.810 -8.145 -8.321 569 2HG LYS 73 3HG LYS 73 10.134 -9.110 -9.757 570 1HD LYS 73 2HD LYS 73 8.116 -6.897 -9.357 571 2HD LYS 73 3HD LYS 73 9.361 -7.039 -10.580 572 1HE LYS 73 2HE LYS 73 6.710 -8.562 -10.461 573 2HE LYS 73 3HE LYS 73 7.146 -7.279 -11.576 574 1HZ LYS 73 1HZ LYS 73 8.246 -10.027 -11.511 575 2HZ LYS 73 2HZ LYS 73 7.256 -9.450 -12.569 576 3HZ LYS 73 3HZ LYS 73 8.795 -8.837 -12.537 577 H ILE 74 H ILE 74 4.751 -8.940 -7.594 578 HA ILE 74 HA ILE 74 3.824 -11.695 -8.082 579 HB ILE 74 HB ILE 74 2.473 -9.989 -6.854 580 1HG1 ILE 74 2HG1 ILE 74 1.183 -11.151 -9.356 581 2HG1 ILE 74 3HG1 ILE 74 1.467 -11.995 -7.823 582 1HG2 ILE 74 1HG2 ILE 74 1.341 -8.209 -7.989 583 2HG2 ILE 74 2HG2 ILE 74 3.053 -8.026 -8.353 584 3HG2 ILE 74 3HG2 ILE 74 1.962 -8.711 -9.572 585 1HD1 ILE 74 1HD1 ILE 74 -0.821 -11.302 -7.844 586 2HD1 ILE 74 2HD1 ILE 74 0.014 -10.212 -6.713 587 3HD1 ILE 74 3HD1 ILE 74 -0.392 -9.668 -8.368 588 H GLU 75 H GLU 75 2.851 -12.304 -10.239 589 HA GLU 75 HA GLU 75 3.735 -10.716 -12.543 590 1HB GLU 75 2HB GLU 75 3.847 -13.740 -12.468 591 2HB GLU 75 3HB GLU 75 4.462 -12.652 -13.714 592 1HG GLU 75 2HG GLU 75 5.655 -13.039 -10.918 593 2HG GLU 75 3HG GLU 75 6.252 -13.768 -12.406 Start of MODEL 6 1 1H MET 1 H1 MET 1 6.085 1.281 -14.925 2 2H MET 1 H2 MET 1 6.189 -0.186 -15.717 3 3H MET 1 H3 MET 1 7.395 0.378 -14.722 4 HA MET 1 HA MET 1 8.146 0.661 -16.940 5 1HB MET 1 2HB MET 1 5.605 2.318 -17.265 6 2HB MET 1 3HB MET 1 6.994 2.350 -18.360 7 1HG MET 1 2HG MET 1 6.701 -0.120 -18.750 8 2HG MET 1 3HG MET 1 5.248 -0.065 -17.743 9 1HE MET 1 1HE MET 1 5.602 1.824 -21.941 10 2HE MET 1 2HE MET 1 6.466 2.543 -20.570 11 3HE MET 1 3HE MET 1 6.900 0.909 -21.142 12 H GLY 2 H GLY 2 9.885 1.641 -16.006 13 1HA GLY 2 2HA GLY 2 10.854 2.577 -14.138 14 2HA GLY 2 1HA GLY 2 9.661 3.902 -14.152 15 H ASP 3 H ASP 3 8.668 3.608 -12.071 16 HA ASP 3 HA ASP 3 7.301 1.006 -11.583 17 1HB ASP 3 2HB ASP 3 7.444 3.565 -9.968 18 2HB ASP 3 3HB ASP 3 6.349 2.217 -9.608 19 H GLY 4 H GLY 4 5.451 3.790 -10.813 20 1HA GLY 4 2HA GLY 4 3.432 4.522 -11.720 21 2HA GLY 4 1HA GLY 4 3.673 3.528 -13.162 22 H VAL 5 H VAL 5 4.513 1.368 -10.871 23 HA VAL 5 HA VAL 5 2.002 0.574 -9.753 24 HB VAL 5 HB VAL 5 1.534 -0.270 -11.896 25 1HG1 VAL 5 1HG1 VAL 5 3.588 -0.113 -13.086 26 2HG1 VAL 5 2HG1 VAL 5 4.399 -1.251 -12.002 27 3HG1 VAL 5 3HG1 VAL 5 3.130 -1.822 -13.106 28 1HG2 VAL 5 1HG2 VAL 5 1.145 -1.820 -9.995 29 2HG2 VAL 5 2HG2 VAL 5 1.405 -2.649 -11.540 30 3HG2 VAL 5 3HG2 VAL 5 2.699 -2.605 -10.334 31 H LEU 6 H LEU 6 2.401 -0.703 -7.998 32 HA LEU 6 HA LEU 6 4.910 -2.093 -7.633 33 1HB LEU 6 2HB LEU 6 5.658 0.031 -6.797 34 2HB LEU 6 3HB LEU 6 4.156 0.278 -5.886 35 HG LEU 6 HG LEU 6 4.808 -1.678 -4.428 36 1HD1 LEU 6 1HD1 LEU 6 7.147 -2.464 -4.493 37 2HD1 LEU 6 2HD1 LEU 6 6.324 -2.863 -6.002 38 3HD1 LEU 6 3HD1 LEU 6 7.445 -1.478 -5.931 39 1HD2 LEU 6 1HD2 LEU 6 6.854 0.565 -4.595 40 2HD2 LEU 6 2HD2 LEU 6 5.279 0.663 -3.777 41 3HD2 LEU 6 3HD2 LEU 6 6.520 -0.453 -3.178 42 H GLU 7 H GLU 7 4.113 -3.983 -7.113 43 HA GLU 7 HA GLU 7 1.625 -4.235 -5.520 44 1HB GLU 7 2HB GLU 7 2.534 -5.549 -7.781 45 2HB GLU 7 3HB GLU 7 3.082 -6.635 -6.502 46 1HG GLU 7 2HG GLU 7 0.878 -7.308 -7.066 47 2HG GLU 7 3HG GLU 7 0.713 -6.413 -5.528 48 H LEU 8 H LEU 8 1.853 -4.380 -3.293 49 HA LEU 8 HA LEU 8 4.020 -6.203 -2.402 50 1HB LEU 8 2HB LEU 8 4.725 -4.882 -0.606 51 2HB LEU 8 3HB LEU 8 4.916 -4.009 -2.132 52 HG LEU 8 HG LEU 8 4.442 -2.559 -0.341 53 1HD1 LEU 8 1HD1 LEU 8 3.643 -1.876 -2.539 54 2HD1 LEU 8 2HD1 LEU 8 2.066 -2.620 -2.224 55 3HD1 LEU 8 3HD1 LEU 8 2.619 -1.262 -1.235 56 1HD2 LEU 8 1HD2 LEU 8 2.503 -2.506 0.959 57 2HD2 LEU 8 2HD2 LEU 8 1.709 -3.766 0.018 58 3HD2 LEU 8 3HD2 LEU 8 3.110 -4.164 1.047 59 H VAL 9 H VAL 9 3.663 -7.508 -0.712 60 HA VAL 9 HA VAL 9 0.874 -8.031 -0.005 61 HB VAL 9 HB VAL 9 3.553 -9.249 0.653 62 1HG1 VAL 9 1HG1 VAL 9 2.436 -9.328 2.828 63 2HG1 VAL 9 2HG1 VAL 9 0.935 -9.911 2.070 64 3HG1 VAL 9 3HG1 VAL 9 2.389 -10.923 2.079 65 1HG2 VAL 9 1HG2 VAL 9 0.940 -10.442 -0.377 66 2HG2 VAL 9 2HG2 VAL 9 2.221 -9.825 -1.435 67 3HG2 VAL 9 3HG2 VAL 9 2.542 -11.208 -0.362 68 H VAL 10 H VAL 10 -0.096 -7.414 1.858 69 HA VAL 10 HA VAL 10 1.360 -5.913 3.979 70 HB VAL 10 HB VAL 10 -1.462 -5.376 2.923 71 1HG1 VAL 10 1HG1 VAL 10 0.227 -4.124 5.121 72 2HG1 VAL 10 2HG1 VAL 10 -1.259 -3.392 4.494 73 3HG1 VAL 10 3HG1 VAL 10 -1.337 -4.954 5.313 74 1HG2 VAL 10 1HG2 VAL 10 -0.528 -3.168 2.281 75 2HG2 VAL 10 2HG2 VAL 10 1.099 -3.826 2.601 76 3HG2 VAL 10 3HG2 VAL 10 0.066 -4.537 1.328 77 H ARG 11 H ARG 11 1.516 -7.738 5.369 78 HA ARG 11 HA ARG 11 -0.779 -9.558 5.439 79 1HB ARG 11 2HB ARG 11 0.497 -11.041 6.588 80 2HB ARG 11 3HB ARG 11 1.642 -10.240 5.522 81 1HG ARG 11 2HG ARG 11 1.989 -8.702 7.719 82 2HG ARG 11 3HG ARG 11 1.351 -10.135 8.521 83 1HD ARG 11 2HD ARG 11 3.706 -10.418 8.502 84 2HD ARG 11 3HD ARG 11 3.146 -11.466 7.196 85 HE ARG 11 HE ARG 11 3.672 -8.810 6.215 86 1HH1 ARG 11 2HH2 ARG 11 5.849 -10.937 7.782 87 2HH1 ARG 11 1HH2 ARG 11 6.853 -11.321 6.433 88 1HH2 ARG 11 2HH1 ARG 11 5.673 -8.336 5.069 89 2HH2 ARG 11 1HH1 ARG 11 6.699 -9.623 4.656 90 H GLY 12 H GLY 12 -2.454 -9.283 6.669 91 1HA GLY 12 2HA GLY 12 -3.078 -9.351 9.105 92 2HA GLY 12 1HA GLY 12 -2.300 -7.780 9.284 93 H MET 13 H MET 13 -3.969 -8.103 6.250 94 HA MET 13 HA MET 13 -6.008 -6.184 7.087 95 1HB MET 13 2HB MET 13 -5.709 -7.683 4.466 96 2HB MET 13 3HB MET 13 -6.648 -6.223 4.792 97 1HG MET 13 2HG MET 13 -4.686 -4.897 4.945 98 2HG MET 13 3HG MET 13 -3.610 -6.283 5.116 99 1HE MET 13 1HE MET 13 -6.006 -4.470 2.709 100 2HE MET 13 2HE MET 13 -5.784 -5.392 1.187 101 3HE MET 13 3HE MET 13 -6.569 -6.142 2.573 102 H THR 14 H THR 14 -7.811 -6.959 8.144 103 HA THR 14 HA THR 14 -9.025 -9.540 7.269 104 HB THR 14 HB THR 14 -7.429 -10.024 9.054 105 HG1 THR 14 1HG THR 14 -10.173 -10.215 9.668 106 1HG2 THR 14 1HG2 THR 14 -9.089 -8.137 10.789 107 2HG2 THR 14 2HG2 THR 14 -7.807 -9.226 11.346 108 3HG2 THR 14 3HG2 THR 14 -7.404 -7.879 10.275 109 H CYS 15 H CYS 15 -9.807 -6.461 7.232 110 HA CYS 15 HA CYS 15 -12.599 -6.984 7.543 111 1HB CYS 15 2HB CYS 15 -12.178 -6.737 9.967 112 2HB CYS 15 3HB CYS 15 -11.301 -5.217 9.674 113 HG CYS 15 HG CYS 15 -13.642 -4.689 10.671 114 H ALA 16 H ALA 16 -13.750 -5.420 6.431 115 HA ALA 16 HA ALA 16 -12.779 -3.905 4.423 116 1HB ALA 16 1HB ALA 16 -15.202 -3.250 6.138 117 2HB ALA 16 2HB ALA 16 -14.899 -2.666 4.488 118 3HB ALA 16 3HB ALA 16 -15.146 -4.399 4.782 119 H SER 17 H SER 17 -13.184 -2.741 7.755 120 HA SER 17 HA SER 17 -12.432 -0.025 7.391 121 1HB SER 17 2HB SER 17 -11.925 -0.141 9.820 122 2HB SER 17 3HB SER 17 -13.493 -0.855 9.398 123 HG SER 17 HG SER 17 -12.169 -2.915 9.238 124 H CYS 18 H CYS 18 -10.307 -2.329 9.085 125 HA CYS 18 HA CYS 18 -7.879 -1.134 8.730 126 1HB CYS 18 2HB CYS 18 -8.576 -4.116 8.806 127 2HB CYS 18 3HB CYS 18 -6.914 -3.508 8.870 128 HG CYS 18 HG CYS 18 -7.610 -4.142 11.259 129 H VAL 19 H VAL 19 -9.534 -3.196 6.394 130 HA VAL 19 HA VAL 19 -7.585 -3.235 4.353 131 HB VAL 19 HB VAL 19 -10.586 -3.360 4.446 132 1HG1 VAL 19 1HG1 VAL 19 -10.777 -3.997 2.152 133 2HG1 VAL 19 2HG1 VAL 19 -10.131 -2.363 2.199 134 3HG1 VAL 19 3HG1 VAL 19 -9.054 -3.738 1.865 135 1HG2 VAL 19 1HG2 VAL 19 -10.243 -5.658 3.858 136 2HG2 VAL 19 2HG2 VAL 19 -8.510 -5.363 3.585 137 3HG2 VAL 19 3HG2 VAL 19 -9.172 -5.276 5.224 138 H HIS 20 H HIS 20 -10.493 -1.047 4.275 139 HA HIS 20 HA HIS 20 -9.154 0.416 2.304 140 1HB HIS 20 2HB HIS 20 -10.974 1.761 2.033 141 2HB HIS 20 3HB HIS 20 -11.547 0.137 2.412 142 HD1 HIS 20 1HD HIS 20 -13.760 1.979 2.715 143 HD2 HIS 20 2HD HIS 20 -10.765 1.872 5.629 144 HE1 HIS 20 1HE HIS 20 -14.668 3.166 4.785 145 H LYS 21 H LYS 21 -8.854 0.686 5.675 146 HA LYS 21 HA LYS 21 -8.169 3.355 6.050 147 1HB LYS 21 2HB LYS 21 -8.446 1.710 7.873 148 2HB LYS 21 3HB LYS 21 -7.028 0.820 7.311 149 1HG LYS 21 2HG LYS 21 -6.487 2.085 9.264 150 2HG LYS 21 3HG LYS 21 -5.566 2.716 7.888 151 1HD LYS 21 2HD LYS 21 -7.126 4.578 7.618 152 2HD LYS 21 3HD LYS 21 -8.185 3.944 8.884 153 1HE LYS 21 2HE LYS 21 -5.344 5.038 9.206 154 2HE LYS 21 3HE LYS 21 -6.838 5.861 9.654 155 1HZ LYS 21 1HZ LYS 21 -5.817 3.394 10.899 156 2HZ LYS 21 2HZ LYS 21 -5.819 4.894 11.560 157 3HZ LYS 21 3HZ LYS 21 -7.243 4.126 11.278 158 H ILE 22 H ILE 22 -6.309 0.611 4.717 159 HA ILE 22 HA ILE 22 -3.744 1.901 4.691 160 HB ILE 22 HB ILE 22 -4.925 -0.356 3.042 161 1HG1 ILE 22 2HG1 ILE 22 -2.830 -0.537 5.237 162 2HG1 ILE 22 3HG1 ILE 22 -4.551 -0.503 5.635 163 1HG2 ILE 22 1HG2 ILE 22 -2.501 -0.909 2.518 164 2HG2 ILE 22 2HG2 ILE 22 -3.085 0.564 1.745 165 3HG2 ILE 22 3HG2 ILE 22 -2.056 0.667 3.192 166 1HD1 ILE 22 1HD1 ILE 22 -3.285 -2.585 3.843 167 2HD1 ILE 22 2HD1 ILE 22 -3.779 -2.787 5.530 168 3HD1 ILE 22 3HD1 ILE 22 -5.004 -2.461 4.292 169 H GLU 23 H GLU 23 -6.068 1.336 1.992 170 HA GLU 23 HA GLU 23 -4.761 3.014 0.158 171 1HB GLU 23 2HB GLU 23 -7.362 3.261 -0.667 172 2HB GLU 23 3HB GLU 23 -6.273 1.928 -1.071 173 1HG GLU 23 2HG GLU 23 -7.335 0.656 0.874 174 2HG GLU 23 3HG GLU 23 -8.520 1.994 0.892 175 H SER 24 H SER 24 -7.578 3.840 2.178 176 HA SER 24 HA SER 24 -7.818 6.527 1.488 177 1HB SER 24 2HB SER 24 -9.459 5.256 2.782 178 2HB SER 24 3HB SER 24 -8.385 5.208 4.186 179 HG SER 24 HG SER 24 -9.991 6.912 4.211 180 H SER 25 H SER 25 -5.705 5.116 4.070 181 HA SER 25 HA SER 25 -4.704 7.650 4.970 182 1HB SER 25 2HB SER 25 -4.554 5.565 6.286 183 2HB SER 25 3HB SER 25 -3.411 4.888 5.105 184 HG SER 25 HG SER 25 -2.301 5.847 6.837 185 H LEU 26 H LEU 26 -3.318 5.173 2.735 186 HA LEU 26 HA LEU 26 -0.941 6.557 2.197 187 1HB LEU 26 2HB LEU 26 -2.494 4.407 0.754 188 2HB LEU 26 3HB LEU 26 -1.069 5.155 0.019 189 HG LEU 26 HG LEU 26 0.415 4.494 1.610 190 1HD1 LEU 26 1HD1 LEU 26 0.051 3.269 3.612 191 2HD1 LEU 26 2HD1 LEU 26 -0.975 4.702 3.707 192 3HD1 LEU 26 3HD1 LEU 26 -1.677 3.117 3.323 193 1HD2 LEU 26 1HD2 LEU 26 -1.522 2.232 0.946 194 2HD2 LEU 26 2HD2 LEU 26 -0.190 2.826 -0.062 195 3HD2 LEU 26 3HD2 LEU 26 0.152 1.994 1.470 196 H THR 27 H THR 27 -4.111 6.812 0.478 197 HA THR 27 HA THR 27 -3.337 8.462 -1.601 198 HB THR 27 HB THR 27 -5.833 8.679 0.113 199 HG1 THR 27 1HG THR 27 -5.079 7.042 -2.062 200 1HG2 THR 27 1HG2 THR 27 -5.668 10.610 -1.433 201 2HG2 THR 27 2HG2 THR 27 -5.310 9.512 -2.785 202 3HG2 THR 27 3HG2 THR 27 -6.901 9.473 -1.998 203 H LYS 28 H LYS 28 -3.580 9.390 1.867 204 HA LYS 28 HA LYS 28 -3.497 12.215 1.371 205 1HB LYS 28 2HB LYS 28 -3.496 12.492 3.652 206 2HB LYS 28 3HB LYS 28 -4.296 10.945 3.461 207 1HG LYS 28 2HG LYS 28 -2.870 10.165 5.007 208 2HG LYS 28 3HG LYS 28 -1.649 10.165 3.759 209 1HD LYS 28 2HD LYS 28 -1.554 12.824 4.734 210 2HD LYS 28 3HD LYS 28 -1.982 11.870 6.149 211 1HE LYS 28 2HE LYS 28 0.366 11.820 6.225 212 2HE LYS 28 3HE LYS 28 -0.019 10.285 5.443 213 1HZ LYS 28 1HZ LYS 28 1.492 11.087 3.982 214 2HZ LYS 28 2HZ LYS 28 0.196 11.913 3.347 215 3HZ LYS 28 3HZ LYS 28 1.224 12.664 4.362 216 H HIS 29 H HIS 29 -1.071 10.035 0.618 217 HA HIS 29 HA HIS 29 1.192 11.801 1.349 218 1HB HIS 29 2HB HIS 29 1.011 9.330 -0.387 219 2HB HIS 29 3HB HIS 29 2.481 10.235 0.051 220 HD1 HIS 29 1HD HIS 29 3.799 8.649 1.518 221 HD2 HIS 29 2HD HIS 29 -0.283 8.862 2.470 222 HE1 HIS 29 1HE HIS 29 3.387 6.973 3.370 223 H ARG 30 H ARG 30 -1.180 11.480 -1.203 224 HA ARG 30 HA ARG 30 -1.599 12.657 -3.042 225 1HB ARG 30 2HB ARG 30 0.527 14.626 -2.137 226 2HB ARG 30 3HB ARG 30 -0.818 14.922 -3.235 227 1HG ARG 30 2HG ARG 30 -2.436 14.547 -1.400 228 2HG ARG 30 3HG ARG 30 -1.095 14.244 -0.270 229 1HD ARG 30 2HD ARG 30 -0.163 16.479 -0.753 230 2HD ARG 30 3HD ARG 30 -1.539 16.818 -1.835 231 HE ARG 30 HE ARG 30 -2.597 16.051 0.663 232 1HH1 ARG 30 2HH2 ARG 30 -0.667 18.667 -0.687 233 2HH1 ARG 30 1HH2 ARG 30 -1.176 19.874 0.451 234 1HH2 ARG 30 2HH1 ARG 30 -3.326 17.631 2.206 235 2HH2 ARG 30 1HH1 ARG 30 -2.736 19.258 2.139 236 H GLY 31 H GLY 31 1.478 11.271 -2.782 237 1HA GLY 31 2HA GLY 31 2.272 11.936 -5.584 238 2HA GLY 31 1HA GLY 31 3.226 11.137 -4.330 239 H ILE 32 H ILE 32 -0.018 10.041 -4.588 240 HA ILE 32 HA ILE 32 0.856 7.490 -5.851 241 HB ILE 32 HB ILE 32 -1.286 7.968 -3.762 242 1HG1 ILE 32 2HG1 ILE 32 1.564 7.084 -3.421 243 2HG1 ILE 32 3HG1 ILE 32 0.657 8.414 -2.630 244 1HG2 ILE 32 1HG2 ILE 32 -1.546 5.940 -5.310 245 2HG2 ILE 32 2HG2 ILE 32 -0.008 5.343 -4.641 246 3HG2 ILE 32 3HG2 ILE 32 -1.432 5.571 -3.608 247 1HD1 ILE 32 1HD1 ILE 32 0.794 6.726 -0.992 248 2HD1 ILE 32 2HD1 ILE 32 -0.854 6.658 -1.667 249 3HD1 ILE 32 3HD1 ILE 32 0.358 5.446 -2.145 250 H LEU 33 H LEU 33 -0.563 6.667 -7.396 251 HA LEU 33 HA LEU 33 -2.610 8.560 -8.431 252 1HB LEU 33 2HB LEU 33 -1.243 6.174 -9.767 253 2HB LEU 33 3HB LEU 33 -2.549 7.129 -10.457 254 HG LEU 33 HG LEU 33 -0.622 7.867 -11.504 255 1HD1 LEU 33 1HD1 LEU 33 -2.166 9.685 -10.757 256 2HD1 LEU 33 2HD1 LEU 33 -1.092 9.981 -9.367 257 3HD1 LEU 33 3HD1 LEU 33 -0.494 10.219 -11.016 258 1HD2 LEU 33 1HD2 LEU 33 1.424 8.618 -10.502 259 2HD2 LEU 33 2HD2 LEU 33 0.795 8.387 -8.868 260 3HD2 LEU 33 3HD2 LEU 33 1.063 6.981 -9.935 261 H TYR 34 H TYR 34 -2.089 5.156 -7.300 262 HA TYR 34 HA TYR 34 -4.849 5.184 -6.467 263 1HB TYR 34 2HB TYR 34 -4.816 4.431 -8.982 264 2HB TYR 34 3HB TYR 34 -4.065 2.952 -8.376 265 HD1 TYR 34 HD1 TYR 34 -5.446 1.244 -7.396 266 HD2 TYR 34 HD2 TYR 34 -7.021 5.217 -7.948 267 HE1 TYR 34 HE1 TYR 34 -7.540 0.578 -6.281 268 HE2 TYR 34 HE2 TYR 34 -9.118 4.537 -6.824 269 HH TYR 34 HH TYR 34 -9.426 1.402 -5.196 270 H CYS 35 H CYS 35 -5.378 3.392 -5.101 271 HA CYS 35 HA CYS 35 -3.234 1.515 -4.298 272 1HB CYS 35 2HB CYS 35 -4.675 3.493 -2.487 273 2HB CYS 35 3HB CYS 35 -4.137 1.899 -1.903 274 HG CYS 35 HG CYS 35 -1.666 2.166 -2.681 275 H SER 36 H SER 36 -4.204 -0.393 -4.743 276 HA SER 36 HA SER 36 -7.115 -0.729 -4.170 277 1HB SER 36 2HB SER 36 -5.894 -1.117 -6.637 278 2HB SER 36 3HB SER 36 -5.863 -2.742 -5.958 279 HG SER 36 HG SER 36 -8.132 -2.476 -5.525 280 H VAL 37 H VAL 37 -6.961 -1.461 -2.000 281 HA VAL 37 HA VAL 37 -4.804 -3.365 -1.427 282 HB VAL 37 HB VAL 37 -5.387 -1.186 -0.193 283 1HG1 VAL 37 1HG1 VAL 37 -6.668 -1.312 1.694 284 2HG1 VAL 37 2HG1 VAL 37 -7.735 -1.856 0.389 285 3HG1 VAL 37 3HG1 VAL 37 -7.022 -3.027 1.520 286 1HG2 VAL 37 1HG2 VAL 37 -3.503 -2.275 0.420 287 2HG2 VAL 37 2HG2 VAL 37 -4.457 -2.336 1.905 288 3HG2 VAL 37 3HG2 VAL 37 -4.316 -3.772 0.874 289 H ALA 38 H ALA 38 -5.261 -5.266 -2.219 290 HA ALA 38 HA ALA 38 -7.951 -6.448 -2.110 291 1HB ALA 38 1HB ALA 38 -6.725 -6.556 -4.184 292 2HB ALA 38 2HB ALA 38 -5.346 -7.335 -3.386 293 3HB ALA 38 3HB ALA 38 -6.899 -8.194 -3.522 294 H LEU 39 H LEU 39 -8.194 -6.799 0.094 295 HA LEU 39 HA LEU 39 -6.769 -8.232 1.955 296 1HB LEU 39 2HB LEU 39 -8.931 -7.218 2.358 297 2HB LEU 39 3HB LEU 39 -9.752 -8.378 1.320 298 HG LEU 39 HG LEU 39 -8.124 -9.496 3.593 299 1HD1 LEU 39 1HD1 LEU 39 -10.037 -9.174 5.166 300 2HD1 LEU 39 2HD1 LEU 39 -9.183 -7.683 4.757 301 3HD1 LEU 39 3HD1 LEU 39 -10.761 -8.044 4.007 302 1HD2 LEU 39 1HD2 LEU 39 -9.444 -11.027 2.087 303 2HD2 LEU 39 2HD2 LEU 39 -10.029 -11.069 3.746 304 3HD2 LEU 39 3HD2 LEU 39 -10.917 -10.145 2.522 305 H ALA 40 H ALA 40 -8.576 -9.629 -0.769 306 HA ALA 40 HA ALA 40 -8.565 -12.326 -0.009 307 1HB ALA 40 1HB ALA 40 -9.818 -11.430 -1.935 308 2HB ALA 40 2HB ALA 40 -8.295 -11.145 -2.809 309 3HB ALA 40 3HB ALA 40 -8.801 -12.801 -2.418 310 H THR 41 H THR 41 -5.984 -10.372 -1.433 311 HA THR 41 HA THR 41 -4.081 -12.676 -1.452 312 HB THR 41 HB THR 41 -2.822 -10.895 -2.893 313 HG1 THR 41 1HG THR 41 -4.592 -9.277 -2.230 314 1HG2 THR 41 1HG2 THR 41 -3.830 -12.941 -3.841 315 2HG2 THR 41 2HG2 THR 41 -5.413 -12.138 -3.918 316 3HG2 THR 41 3HG2 THR 41 -4.071 -11.553 -4.920 317 H ASN 42 H ASN 42 -5.116 -10.444 0.658 318 HA ASN 42 HA ASN 42 -4.332 -8.750 1.919 319 1HB ASN 42 2HB ASN 42 -3.126 -11.307 2.663 320 2HB ASN 42 3HB ASN 42 -2.085 -9.987 3.151 321 1HD2 ASN 42 1HD2 ASN 42 -5.706 -10.527 3.109 322 2HD2 ASN 42 2HD2 ASN 42 -5.893 -9.992 4.783 323 H LYS 43 H LYS 43 -3.798 -7.791 -0.321 324 HA LYS 43 HA LYS 43 -0.942 -6.946 -0.349 325 1HB LYS 43 2HB LYS 43 -0.838 -8.714 -1.852 326 2HB LYS 43 3HB LYS 43 -2.473 -8.467 -2.441 327 1HG LYS 43 2HG LYS 43 -0.453 -6.353 -3.111 328 2HG LYS 43 3HG LYS 43 -0.356 -7.896 -3.923 329 1HD LYS 43 2HD LYS 43 -3.015 -6.414 -3.767 330 2HD LYS 43 3HD LYS 43 -1.823 -5.990 -4.987 331 1HE LYS 43 2HE LYS 43 -2.908 -8.826 -4.624 332 2HE LYS 43 3HE LYS 43 -3.658 -7.614 -5.666 333 1HZ LYS 43 1HZ LYS 43 -1.658 -7.467 -6.909 334 2HZ LYS 43 2HZ LYS 43 -0.891 -8.564 -5.973 335 3HZ LYS 43 3HZ LYS 43 -2.179 -9.022 -6.898 336 H ALA 44 H ALA 44 -0.504 -4.971 -1.048 337 HA ALA 44 HA ALA 44 -2.728 -3.160 -1.854 338 1HB ALA 44 1HB ALA 44 -1.203 -1.359 -1.402 339 2HB ALA 44 2HB ALA 44 -1.279 -2.404 0.029 340 3HB ALA 44 3HB ALA 44 0.116 -2.491 -1.051 341 H HIS 45 H HIS 45 -3.042 -3.241 -3.994 342 HA HIS 45 HA HIS 45 -0.751 -3.262 -5.908 343 1HB HIS 45 2HB HIS 45 -3.030 -4.362 -6.420 344 2HB HIS 45 3HB HIS 45 -3.667 -2.707 -6.441 345 HD1 HIS 45 1HD HIS 45 -2.244 -5.144 -8.738 346 HD2 HIS 45 2HD HIS 45 -1.733 -1.139 -8.067 347 HE1 HIS 45 1HE HIS 45 -1.601 -4.162 -11.010 348 H ILE 46 H ILE 46 0.446 -1.459 -5.463 349 HA ILE 46 HA ILE 46 -1.032 1.112 -5.135 350 HB ILE 46 HB ILE 46 1.903 0.448 -4.721 351 1HG1 ILE 46 2HG1 ILE 46 -0.529 0.607 -2.903 352 2HG1 ILE 46 3HG1 ILE 46 0.689 -0.666 -3.029 353 1HG2 ILE 46 1HG2 ILE 46 0.328 2.984 -4.130 354 2HG2 ILE 46 2HG2 ILE 46 2.060 2.704 -3.812 355 3HG2 ILE 46 3HG2 ILE 46 1.488 2.770 -5.459 356 1HD1 ILE 46 1HD1 ILE 46 1.061 2.104 -1.860 357 2HD1 ILE 46 2HD1 ILE 46 1.046 0.562 -0.986 358 3HD1 ILE 46 3HD1 ILE 46 2.373 0.917 -2.127 359 H LYS 47 H LYS 47 -0.873 2.649 -6.680 360 HA LYS 47 HA LYS 47 1.018 2.225 -8.896 361 1HB LYS 47 2HB LYS 47 -1.857 3.153 -9.117 362 2HB LYS 47 3HB LYS 47 -0.637 3.318 -10.407 363 1HG LYS 47 2HG LYS 47 -0.284 0.745 -10.081 364 2HG LYS 47 3HG LYS 47 -1.819 0.788 -9.215 365 1HD LYS 47 2HD LYS 47 -1.319 1.717 -12.075 366 2HD LYS 47 3HD LYS 47 -1.993 0.143 -11.604 367 1HE LYS 47 2HE LYS 47 -3.901 1.324 -10.458 368 2HE LYS 47 3HE LYS 47 -3.271 2.876 -11.043 369 1HZ LYS 47 1HZ LYS 47 -5.005 2.038 -12.444 370 2HZ LYS 47 2HZ LYS 47 -3.592 2.085 -13.285 371 3HZ LYS 47 3HZ LYS 47 -4.181 0.646 -12.737 372 H TYR 48 H TYR 48 2.512 3.886 -8.708 373 HA TYR 48 HA TYR 48 1.756 6.513 -7.726 374 1HB TYR 48 2HB TYR 48 2.976 6.417 -5.750 375 2HB TYR 48 3HB TYR 48 2.020 4.955 -5.698 376 HD1 TYR 48 HD1 TYR 48 3.670 2.981 -7.304 377 HD2 TYR 48 HD2 TYR 48 4.919 6.115 -4.631 378 HE1 TYR 48 HE1 TYR 48 5.968 2.097 -7.282 379 HE2 TYR 48 HE2 TYR 48 7.059 4.935 -4.251 380 HH TYR 48 HH TYR 48 8.523 3.388 -5.187 381 H ASP 49 H ASP 49 3.761 7.900 -7.619 382 HA ASP 49 HA ASP 49 5.749 7.140 -9.693 383 1HB ASP 49 2HB ASP 49 4.895 9.320 -10.065 384 2HB ASP 49 3HB ASP 49 5.060 9.770 -8.371 385 HA PRO 50 HA PRO 50 8.186 5.878 -6.224 386 1HB PRO 50 2HB PRO 50 10.652 5.543 -7.317 387 2HB PRO 50 3HB PRO 50 9.256 4.510 -7.733 388 1HG PRO 50 2HG PRO 50 10.305 6.896 -9.275 389 2HG PRO 50 3HG PRO 50 9.883 5.275 -9.901 390 1HD PRO 50 2HD PRO 50 8.162 7.394 -10.019 391 2HD PRO 50 3HD PRO 50 7.570 5.736 -9.756 392 H GLU 51 H GLU 51 9.246 8.827 -8.021 393 HA GLU 51 HA GLU 51 11.411 9.194 -6.036 394 1HB GLU 51 2HB GLU 51 12.209 10.965 -7.523 395 2HB GLU 51 3HB GLU 51 12.167 9.362 -8.264 396 1HG GLU 51 2HG GLU 51 10.149 9.960 -9.541 397 2HG GLU 51 3HG GLU 51 10.100 11.546 -8.752 398 H ILE 52 H ILE 52 8.315 10.645 -7.038 399 HA ILE 52 HA ILE 52 8.535 12.959 -5.359 400 HB ILE 52 HB ILE 52 6.789 12.638 -7.011 401 1HG1 ILE 52 2HG1 ILE 52 6.416 14.372 -5.386 402 2HG1 ILE 52 3HG1 ILE 52 4.905 13.600 -5.854 403 1HG2 ILE 52 1HG2 ILE 52 6.232 10.243 -6.527 404 2HG2 ILE 52 2HG2 ILE 52 5.293 10.768 -5.150 405 3HG2 ILE 52 3HG2 ILE 52 4.844 11.328 -6.753 406 1HD1 ILE 52 1HD1 ILE 52 4.613 13.885 -3.581 407 2HD1 ILE 52 2HD1 ILE 52 5.204 12.219 -3.589 408 3HD1 ILE 52 3HD1 ILE 52 6.293 13.558 -3.186 409 H ILE 53 H ILE 53 7.209 9.715 -4.623 410 HA ILE 53 HA ILE 53 6.784 10.603 -1.860 411 HB ILE 53 HB ILE 53 5.309 9.090 -3.683 412 1HG1 ILE 53 2HG1 ILE 53 4.811 9.215 -0.705 413 2HG1 ILE 53 3HG1 ILE 53 4.513 10.561 -1.812 414 1HG2 ILE 53 1HG2 ILE 53 6.572 7.061 -3.202 415 2HG2 ILE 53 2HG2 ILE 53 6.170 7.222 -1.463 416 3HG2 ILE 53 3HG2 ILE 53 4.898 6.955 -2.651 417 1HD1 ILE 53 1HD1 ILE 53 3.264 8.597 -3.212 418 2HD1 ILE 53 2HD1 ILE 53 3.003 8.037 -1.542 419 3HD1 ILE 53 3HD1 ILE 53 2.487 9.663 -2.063 420 H GLY 54 H GLY 54 8.790 8.144 -3.549 421 1HA GLY 54 2HA GLY 54 10.526 6.911 -2.735 422 2HA GLY 54 1HA GLY 54 10.407 7.700 -1.164 423 HA PRO 55 HA PRO 55 7.345 3.854 -1.663 424 1HB PRO 55 2HB PRO 55 8.932 1.553 -1.588 425 2HB PRO 55 3HB PRO 55 8.177 2.279 -3.027 426 1HG PRO 55 2HG PRO 55 11.004 2.599 -2.041 427 2HG PRO 55 3HG PRO 55 10.439 2.389 -3.723 428 1HD PRO 55 2HD PRO 55 11.144 4.803 -2.717 429 2HD PRO 55 3HD PRO 55 9.780 4.675 -3.865 430 H ARG 56 H ARG 56 10.412 4.070 0.143 431 HA ARG 56 HA ARG 56 9.725 2.775 2.530 432 1HB ARG 56 2HB ARG 56 11.458 5.180 1.915 433 2HB ARG 56 3HB ARG 56 11.057 4.769 3.573 434 1HG ARG 56 2HG ARG 56 11.830 2.318 2.924 435 2HG ARG 56 3HG ARG 56 12.642 3.139 1.585 436 1HD ARG 56 2HD ARG 56 14.152 2.852 3.458 437 2HD ARG 56 3HD ARG 56 13.816 4.590 3.268 438 HE ARG 56 HE ARG 56 11.912 3.696 5.112 439 1HH1 ARG 56 2HH2 ARG 56 15.440 3.685 5.018 440 2HH1 ARG 56 1HH2 ARG 56 15.626 3.786 6.744 441 1HH2 ARG 56 2HH1 ARG 56 12.094 3.948 7.277 442 2HH2 ARG 56 1HH1 ARG 56 13.635 3.888 8.114 443 H ASP 57 H ASP 57 8.603 6.021 1.448 444 HA ASP 57 HA ASP 57 7.584 6.835 3.996 445 1HB ASP 57 2HB ASP 57 8.004 8.389 2.152 446 2HB ASP 57 3HB ASP 57 6.807 7.570 1.142 447 H ILE 58 H ILE 58 5.989 5.410 1.150 448 HA ILE 58 HA ILE 58 3.438 4.881 2.285 449 HB ILE 58 HB ILE 58 5.046 3.654 0.034 450 1HG1 ILE 58 2HG1 ILE 58 2.425 5.201 0.158 451 2HG1 ILE 58 3HG1 ILE 58 4.020 5.925 -0.114 452 1HG2 ILE 58 1HG2 ILE 58 2.275 2.730 0.861 453 2HG2 ILE 58 2HG2 ILE 58 3.180 2.253 -0.592 454 3HG2 ILE 58 3HG2 ILE 58 3.748 1.743 0.966 455 1HD1 ILE 58 1HD1 ILE 58 4.312 4.424 -2.101 456 2HD1 ILE 58 2HD1 ILE 58 2.606 3.937 -1.898 457 3HD1 ILE 58 3HD1 ILE 58 3.006 5.622 -2.248 458 H ILE 59 H ILE 59 6.337 2.739 2.177 459 HA ILE 59 HA ILE 59 5.141 0.593 3.558 460 HB ILE 59 HB ILE 59 8.022 1.509 3.478 461 1HG1 ILE 59 2HG1 ILE 59 6.773 -0.915 2.119 462 2HG1 ILE 59 3HG1 ILE 59 6.659 0.675 1.365 463 1HG2 ILE 59 1HG2 ILE 59 7.785 0.134 5.486 464 2HG2 ILE 59 2HG2 ILE 59 6.852 -1.081 4.587 465 3HG2 ILE 59 3HG2 ILE 59 8.573 -0.829 4.244 466 1HD1 ILE 59 1HD1 ILE 59 9.259 -0.706 2.106 467 2HD1 ILE 59 2HD1 ILE 59 8.592 -0.455 0.478 468 3HD1 ILE 59 3HD1 ILE 59 9.098 0.935 1.446 469 H HIS 60 H HIS 60 6.905 3.430 4.928 470 HA HIS 60 HA HIS 60 6.701 2.772 7.655 471 1HB HIS 60 2HB HIS 60 6.384 5.561 6.479 472 2HB HIS 60 3HB HIS 60 6.778 5.141 8.139 473 HD1 HIS 60 1HD HIS 60 8.603 6.816 5.940 474 HD2 HIS 60 2HD HIS 60 9.068 2.938 7.488 475 HE1 HIS 60 1HE HIS 60 11.084 6.247 5.714 476 H THR 61 H THR 61 4.295 4.429 5.485 477 HA THR 61 HA THR 61 2.472 4.825 7.691 478 HB THR 61 HB THR 61 1.863 4.695 4.718 479 HG1 THR 61 1HG THR 61 1.923 6.948 5.006 480 1HG2 THR 61 1HG2 THR 61 -0.154 6.035 5.418 481 2HG2 THR 61 2HG2 THR 61 -0.205 4.366 6.020 482 3HG2 THR 61 3HG2 THR 61 0.241 5.696 7.112 483 H ILE 62 H ILE 62 2.767 2.205 5.265 484 HA ILE 62 HA ILE 62 0.516 0.705 6.103 485 HB ILE 62 HB ILE 62 3.105 -0.207 4.817 486 1HG1 ILE 62 2HG1 ILE 62 0.303 0.375 3.727 487 2HG1 ILE 62 3HG1 ILE 62 1.713 1.413 3.521 488 1HG2 ILE 62 1HG2 ILE 62 0.485 -1.708 5.208 489 2HG2 ILE 62 2HG2 ILE 62 1.856 -2.271 4.228 490 3HG2 ILE 62 3HG2 ILE 62 2.042 -2.125 5.961 491 1HD1 ILE 62 1HD1 ILE 62 1.546 0.216 1.494 492 2HD1 ILE 62 2HD1 ILE 62 2.862 -0.571 2.382 493 3HD1 ILE 62 3HD1 ILE 62 1.231 -1.306 2.324 494 H GLU 63 H GLU 63 3.970 0.285 7.199 495 HA GLU 63 HA GLU 63 3.161 -1.740 9.056 496 1HB GLU 63 2HB GLU 63 5.378 -1.630 10.006 497 2HB GLU 63 3HB GLU 63 5.385 -1.729 8.250 498 1HG GLU 63 2HG GLU 63 7.097 -0.226 8.696 499 2HG GLU 63 3HG GLU 63 5.756 0.822 8.245 500 H SER 64 H SER 64 3.783 1.749 9.448 501 HA SER 64 HA SER 64 3.361 1.747 12.226 502 1HB SER 64 2HB SER 64 4.592 3.492 11.081 503 2HB SER 64 3HB SER 64 3.126 4.052 10.265 504 HG SER 64 HG SER 64 2.372 4.082 12.686 505 H LEU 65 H LEU 65 0.836 1.638 9.669 506 HA LEU 65 HA LEU 65 -1.256 2.250 11.576 507 1HB LEU 65 2HB LEU 65 -1.162 0.636 9.022 508 2HB LEU 65 3HB LEU 65 -2.656 0.935 9.923 509 HG LEU 65 HG LEU 65 -0.896 3.287 9.138 510 1HD1 LEU 65 1HD1 LEU 65 -2.858 1.830 7.333 511 2HD1 LEU 65 2HD1 LEU 65 -2.109 3.410 6.995 512 3HD1 LEU 65 3HD1 LEU 65 -1.087 1.961 7.164 513 1HD2 LEU 65 1HD2 LEU 65 -3.885 2.939 9.507 514 2HD2 LEU 65 2HD2 LEU 65 -2.765 3.716 10.647 515 3HD2 LEU 65 3HD2 LEU 65 -3.047 4.447 9.057 516 H GLY 66 H GLY 66 -1.063 -1.065 10.215 517 1HA GLY 66 2HA GLY 66 -0.435 -2.221 12.820 518 2HA GLY 66 1HA GLY 66 -2.150 -2.341 12.393 519 H PHE 67 H PHE 67 0.637 -2.542 10.128 520 HA PHE 67 HA PHE 67 -0.023 -5.431 9.647 521 1HB PHE 67 2HB PHE 67 0.550 -3.419 7.465 522 2HB PHE 67 3HB PHE 67 -0.097 -5.052 7.317 523 HD1 PHE 67 1HD PHE 67 -2.388 -5.446 8.626 524 HD2 PHE 67 2HD PHE 67 -0.959 -1.568 7.392 525 HE1 PHE 67 1HE PHE 67 -4.632 -4.492 9.013 526 HE2 PHE 67 2HE PHE 67 -3.180 -0.609 7.845 527 HZ PHE 67 HZ PHE 67 -5.013 -2.044 8.653 528 H GLU 68 H GLU 68 1.661 -6.417 8.102 529 HA GLU 68 HA GLU 68 4.350 -5.138 8.362 530 1HB GLU 68 2HB GLU 68 4.259 -6.908 10.032 531 2HB GLU 68 3HB GLU 68 3.764 -8.082 8.824 532 1HG GLU 68 2HG GLU 68 5.974 -7.670 7.628 533 2HG GLU 68 3HG GLU 68 6.417 -6.611 8.970 534 H ALA 69 H ALA 69 5.170 -4.770 6.391 535 HA ALA 69 HA ALA 69 3.639 -5.764 4.113 536 1HB ALA 69 1HB ALA 69 4.049 -3.345 4.369 537 2HB ALA 69 2HB ALA 69 5.800 -3.626 4.280 538 3HB ALA 69 3HB ALA 69 4.774 -3.955 2.869 539 H SER 70 H SER 70 4.770 -6.444 2.084 540 HA SER 70 HA SER 70 7.649 -6.863 2.090 541 1HB SER 70 2HB SER 70 5.753 -9.244 2.036 542 2HB SER 70 3HB SER 70 7.268 -9.275 1.135 543 HG SER 70 HG SER 70 8.344 -8.734 3.139 544 H LEU 71 H LEU 71 8.278 -6.160 0.067 545 HA LEU 71 HA LEU 71 6.354 -5.624 -2.037 546 1HB LEU 71 2HB LEU 71 9.362 -5.904 -2.331 547 2HB LEU 71 3HB LEU 71 8.244 -4.996 -3.352 548 HG LEU 71 HG LEU 71 9.154 -4.316 -0.519 549 1HD1 LEU 71 1HD1 LEU 71 10.095 -2.330 -1.601 550 2HD1 LEU 71 2HD1 LEU 71 10.729 -3.805 -2.354 551 3HD1 LEU 71 3HD1 LEU 71 9.467 -2.861 -3.175 552 1HD2 LEU 71 1HD2 LEU 71 7.031 -2.946 -2.223 553 2HD2 LEU 71 2HD2 LEU 71 6.819 -3.671 -0.611 554 3HD2 LEU 71 3HD2 LEU 71 7.800 -2.220 -0.803 555 H VAL 72 H VAL 72 5.736 -6.796 -3.773 556 HA VAL 72 HA VAL 72 7.070 -9.443 -4.197 557 HB VAL 72 HB VAL 72 4.990 -10.490 -4.615 558 1HG1 VAL 72 1HG1 VAL 72 4.134 -10.627 -2.419 559 2HG1 VAL 72 2HG1 VAL 72 5.865 -10.298 -2.273 560 3HG1 VAL 72 3HG1 VAL 72 4.691 -8.986 -2.019 561 1HG2 VAL 72 1HG2 VAL 72 3.564 -7.884 -3.988 562 2HG2 VAL 72 2HG2 VAL 72 3.644 -8.687 -5.577 563 3HG2 VAL 72 3HG2 VAL 72 2.807 -9.465 -4.230 564 H LYS 73 H LYS 73 5.461 -6.660 -5.628 565 HA LYS 73 HA LYS 73 5.311 -5.900 -7.715 566 1HB LYS 73 2HB LYS 73 7.662 -5.420 -6.686 567 2HB LYS 73 3HB LYS 73 8.268 -6.501 -7.955 568 1HG LYS 73 2HG LYS 73 6.895 -5.078 -9.593 569 2HG LYS 73 3HG LYS 73 6.583 -3.985 -8.230 570 1HD LYS 73 2HD LYS 73 9.383 -4.264 -8.281 571 2HD LYS 73 3HD LYS 73 8.935 -4.253 -9.988 572 1HE LYS 73 2HE LYS 73 8.342 -2.114 -7.890 573 2HE LYS 73 3HE LYS 73 9.430 -1.977 -9.263 574 1HZ LYS 73 1HZ LYS 73 7.433 -2.108 -10.720 575 2HZ LYS 73 2HZ LYS 73 6.464 -2.173 -9.475 576 3HZ LYS 73 3HZ LYS 73 7.410 -0.829 -9.637 577 H ILE 74 H ILE 74 4.043 -7.960 -8.219 578 HA ILE 74 HA ILE 74 5.224 -9.759 -10.195 579 HB ILE 74 HB ILE 74 2.824 -10.467 -10.494 580 1HG1 ILE 74 2HG1 ILE 74 2.241 -8.930 -7.941 581 2HG1 ILE 74 3HG1 ILE 74 1.923 -8.185 -9.512 582 1HG2 ILE 74 1HG2 ILE 74 2.803 -11.695 -8.350 583 2HG2 ILE 74 2HG2 ILE 74 4.427 -11.637 -9.042 584 3HG2 ILE 74 3HG2 ILE 74 4.009 -10.574 -7.685 585 1HD1 ILE 74 1HD1 ILE 74 -0.103 -9.216 -8.695 586 2HD1 ILE 74 2HD1 ILE 74 0.462 -10.093 -10.128 587 3HD1 ILE 74 3HD1 ILE 74 0.702 -10.786 -8.507 588 H GLU 75 H GLU 75 6.147 -7.912 -11.391 589 HA GLU 75 HA GLU 75 4.314 -6.865 -13.510 590 1HB GLU 75 2HB GLU 75 6.782 -5.638 -12.211 591 2HB GLU 75 3HB GLU 75 5.984 -4.990 -13.647 592 1HG GLU 75 2HG GLU 75 3.992 -4.420 -12.424 593 2HG GLU 75 3HG GLU 75 4.493 -5.361 -11.012 Start of MODEL 7 1 1H MET 1 H1 MET 1 6.265 0.331 -15.239 2 2H MET 1 H2 MET 1 7.497 1.107 -16.055 3 3H MET 1 H3 MET 1 5.947 1.732 -16.000 4 HA MET 1 HA MET 1 6.281 0.787 -18.117 5 1HB MET 1 2HB MET 1 7.912 -0.918 -17.721 6 2HB MET 1 3HB MET 1 6.910 -1.719 -16.501 7 1HG MET 1 2HG MET 1 6.972 -2.872 -18.751 8 2HG MET 1 3HG MET 1 5.371 -2.530 -18.108 9 1HE MET 1 1HE MET 1 7.877 -0.082 -20.048 10 2HE MET 1 2HE MET 1 8.013 -1.663 -20.864 11 3HE MET 1 3HE MET 1 7.240 -0.294 -21.695 12 H GLY 2 H GLY 2 4.204 1.052 -18.704 13 1HA GLY 2 2HA GLY 2 2.209 1.965 -17.997 14 2HA GLY 2 1HA GLY 2 2.006 0.650 -16.817 15 H ASP 3 H ASP 3 1.598 2.154 -15.111 16 HA ASP 3 HA ASP 3 3.040 4.404 -14.398 17 1HB ASP 3 2HB ASP 3 1.726 2.525 -12.413 18 2HB ASP 3 3HB ASP 3 1.786 4.291 -12.371 19 H GLY 4 H GLY 4 4.022 4.583 -12.059 20 1HA GLY 4 2HA GLY 4 6.318 2.794 -11.652 21 2HA GLY 4 1HA GLY 4 5.768 4.120 -10.618 22 H VAL 5 H VAL 5 4.846 0.853 -11.739 23 HA VAL 5 HA VAL 5 2.824 0.557 -9.737 24 HB VAL 5 HB VAL 5 2.707 -0.516 -11.906 25 1HG1 VAL 5 1HG1 VAL 5 5.082 -1.205 -12.200 26 2HG1 VAL 5 2HG1 VAL 5 4.874 -2.429 -10.930 27 3HG1 VAL 5 3HG1 VAL 5 3.952 -2.544 -12.436 28 1HG2 VAL 5 1HG2 VAL 5 1.785 -2.637 -11.163 29 2HG2 VAL 5 2HG2 VAL 5 2.685 -2.556 -9.640 30 3HG2 VAL 5 3HG2 VAL 5 1.397 -1.382 -9.976 31 H LEU 6 H LEU 6 2.788 -0.468 -7.812 32 HA LEU 6 HA LEU 6 5.155 -1.808 -6.704 33 1HB LEU 6 2HB LEU 6 5.450 0.566 -6.141 34 2HB LEU 6 3HB LEU 6 3.798 0.664 -5.535 35 HG LEU 6 HG LEU 6 4.435 -0.993 -3.722 36 1HD1 LEU 6 1HD1 LEU 6 6.374 -2.079 -4.776 37 2HD1 LEU 6 2HD1 LEU 6 7.241 -0.527 -4.828 38 3HD1 LEU 6 3HD1 LEU 6 6.866 -1.290 -3.271 39 1HD2 LEU 6 1HD2 LEU 6 4.380 1.427 -3.308 40 2HD2 LEU 6 2HD2 LEU 6 5.689 0.661 -2.393 41 3HD2 LEU 6 3HD2 LEU 6 6.056 1.577 -3.869 42 H GLU 7 H GLU 7 3.997 -3.624 -6.911 43 HA GLU 7 HA GLU 7 1.464 -3.994 -5.453 44 1HB GLU 7 2HB GLU 7 2.573 -5.160 -7.695 45 2HB GLU 7 3HB GLU 7 3.083 -6.298 -6.448 46 1HG GLU 7 2HG GLU 7 0.973 -6.965 -7.321 47 2HG GLU 7 3HG GLU 7 0.633 -6.342 -5.681 48 H LEU 8 H LEU 8 1.543 -4.264 -3.251 49 HA LEU 8 HA LEU 8 3.867 -5.799 -2.188 50 1HB LEU 8 2HB LEU 8 4.082 -4.366 -0.262 51 2HB LEU 8 3HB LEU 8 4.333 -3.486 -1.773 52 HG LEU 8 HG LEU 8 1.869 -2.699 -1.517 53 1HD1 LEU 8 1HD1 LEU 8 2.580 -3.235 1.411 54 2HD1 LEU 8 2HD1 LEU 8 1.074 -2.556 0.760 55 3HD1 LEU 8 3HD1 LEU 8 1.449 -4.253 0.525 56 1HD2 LEU 8 1HD2 LEU 8 3.810 -1.227 -1.400 57 2HD2 LEU 8 2HD2 LEU 8 2.666 -0.812 -0.116 58 3HD2 LEU 8 3HD2 LEU 8 4.132 -1.731 0.272 59 H VAL 9 H VAL 9 3.500 -7.325 -0.768 60 HA VAL 9 HA VAL 9 0.705 -8.074 -0.175 61 HB VAL 9 HB VAL 9 3.411 -9.332 0.353 62 1HG1 VAL 9 1HG1 VAL 9 2.181 -11.272 1.309 63 2HG1 VAL 9 2HG1 VAL 9 2.062 -9.844 2.342 64 3HG1 VAL 9 3HG1 VAL 9 0.688 -10.316 1.317 65 1HG2 VAL 9 1HG2 VAL 9 2.522 -11.089 -1.113 66 2HG2 VAL 9 2HG2 VAL 9 0.947 -10.276 -1.191 67 3HG2 VAL 9 3HG2 VAL 9 2.367 -9.523 -1.935 68 H VAL 10 H VAL 10 -0.143 -8.067 1.910 69 HA VAL 10 HA VAL 10 1.302 -6.575 4.033 70 HB VAL 10 HB VAL 10 -1.635 -6.359 3.370 71 1HG1 VAL 10 1HG1 VAL 10 -1.526 -4.377 4.947 72 2HG1 VAL 10 2HG1 VAL 10 -1.201 -5.915 5.742 73 3HG1 VAL 10 3HG1 VAL 10 0.146 -4.830 5.319 74 1HG2 VAL 10 1HG2 VAL 10 -1.149 -3.995 2.674 75 2HG2 VAL 10 2HG2 VAL 10 0.584 -4.368 2.787 76 3HG2 VAL 10 3HG2 VAL 10 -0.449 -5.195 1.587 77 H ARG 11 H ARG 11 0.661 -7.360 6.152 78 HA ARG 11 HA ARG 11 -1.188 -9.689 6.174 79 1HB ARG 11 2HB ARG 11 1.300 -9.439 7.930 80 2HB ARG 11 3HB ARG 11 0.105 -10.722 7.929 81 1HG ARG 11 2HG ARG 11 1.831 -11.695 6.799 82 2HG ARG 11 3HG ARG 11 0.797 -11.158 5.465 83 1HD ARG 11 2HD ARG 11 2.311 -9.253 5.048 84 2HD ARG 11 3HD ARG 11 3.210 -9.577 6.508 85 HE ARG 11 HE ARG 11 3.375 -10.906 3.904 86 1HH1 ARG 11 2HH2 ARG 11 4.108 -11.341 7.338 87 2HH1 ARG 11 1HH2 ARG 11 5.719 -11.527 7.096 88 1HH2 ARG 11 2HH1 ARG 11 5.462 -11.906 3.532 89 2HH2 ARG 11 1HH1 ARG 11 6.354 -12.507 4.900 90 H GLY 12 H GLY 12 -2.768 -9.444 7.546 91 1HA GLY 12 2HA GLY 12 -3.578 -8.862 9.752 92 2HA GLY 12 1HA GLY 12 -2.680 -7.352 9.698 93 H MET 13 H MET 13 -3.874 -7.790 6.580 94 HA MET 13 HA MET 13 -6.126 -5.956 6.922 95 1HB MET 13 2HB MET 13 -4.997 -7.536 4.595 96 2HB MET 13 3HB MET 13 -6.461 -6.543 4.493 97 1HG MET 13 2HG MET 13 -5.258 -4.568 5.003 98 2HG MET 13 3HG MET 13 -3.784 -5.436 5.415 99 1HE MET 13 1HE MET 13 -5.527 -6.989 2.341 100 2HE MET 13 2HE MET 13 -6.364 -5.441 2.411 101 3HE MET 13 3HE MET 13 -5.253 -5.797 1.058 102 H THR 14 H THR 14 -7.114 -7.343 8.574 103 HA THR 14 HA THR 14 -8.451 -9.792 7.609 104 HB THR 14 HB THR 14 -7.275 -9.756 9.765 105 HG1 THR 14 1HG THR 14 -10.054 -10.215 9.665 106 1HG2 THR 14 1HG2 THR 14 -9.487 -7.865 10.705 107 2HG2 THR 14 2HG2 THR 14 -8.273 -8.663 11.716 108 3HG2 THR 14 3HG2 THR 14 -7.768 -7.443 10.540 109 H CYS 15 H CYS 15 -9.339 -6.519 7.422 110 HA CYS 15 HA CYS 15 -12.161 -7.185 7.163 111 1HB CYS 15 2HB CYS 15 -12.025 -7.079 9.612 112 2HB CYS 15 3HB CYS 15 -11.176 -5.525 9.530 113 HG CYS 15 HG CYS 15 -14.198 -6.281 8.416 114 H ALA 16 H ALA 16 -13.288 -5.638 6.096 115 HA ALA 16 HA ALA 16 -12.387 -3.963 4.202 116 1HB ALA 16 1HB ALA 16 -14.719 -4.603 4.512 117 2HB ALA 16 2HB ALA 16 -14.843 -3.547 5.939 118 3HB ALA 16 3HB ALA 16 -14.565 -2.845 4.331 119 H SER 17 H SER 17 -12.837 -3.069 7.600 120 HA SER 17 HA SER 17 -12.236 -0.324 7.571 121 1HB SER 17 2HB SER 17 -11.465 -0.750 9.894 122 2HB SER 17 3HB SER 17 -13.018 -1.528 9.514 123 HG SER 17 HG SER 17 -11.606 -3.438 8.964 124 H CYS 18 H CYS 18 -9.824 -2.617 8.733 125 HA CYS 18 HA CYS 18 -7.475 -1.220 8.448 126 1HB CYS 18 2HB CYS 18 -8.075 -4.193 8.102 127 2HB CYS 18 3HB CYS 18 -6.426 -3.552 8.068 128 HG CYS 18 HG CYS 18 -8.676 -3.089 10.441 129 H VAL 19 H VAL 19 -9.000 -3.310 6.039 130 HA VAL 19 HA VAL 19 -7.311 -3.133 3.874 131 HB VAL 19 HB VAL 19 -10.294 -3.283 4.213 132 1HG1 VAL 19 1HG1 VAL 19 -10.120 -2.410 1.989 133 2HG1 VAL 19 2HG1 VAL 19 -8.814 -3.562 1.606 134 3HG1 VAL 19 3HG1 VAL 19 -10.477 -4.135 1.898 135 1HG2 VAL 19 1HG2 VAL 19 -10.094 -5.560 3.914 136 2HG2 VAL 19 2HG2 VAL 19 -8.437 -5.442 3.266 137 3HG2 VAL 19 3HG2 VAL 19 -8.743 -5.159 4.987 138 H HIS 20 H HIS 20 -10.271 -1.028 4.283 139 HA HIS 20 HA HIS 20 -9.276 0.643 2.210 140 1HB HIS 20 2HB HIS 20 -11.142 1.904 2.247 141 2HB HIS 20 3HB HIS 20 -11.603 0.219 2.460 142 HD1 HIS 20 1HD HIS 20 -13.928 1.653 3.168 143 HD2 HIS 20 2HD HIS 20 -10.619 1.915 5.700 144 HE1 HIS 20 1HE HIS 20 -14.727 2.744 5.332 145 H LYS 21 H LYS 21 -8.644 0.577 5.593 146 HA LYS 21 HA LYS 21 -8.223 3.345 6.037 147 1HB LYS 21 2HB LYS 21 -8.578 1.797 7.878 148 2HB LYS 21 3HB LYS 21 -7.117 0.897 7.467 149 1HG LYS 21 2HG LYS 21 -6.792 2.317 9.413 150 2HG LYS 21 3HG LYS 21 -5.685 2.743 8.105 151 1HD LYS 21 2HD LYS 21 -7.055 4.667 7.491 152 2HD LYS 21 3HD LYS 21 -8.318 4.178 8.647 153 1HE LYS 21 2HE LYS 21 -6.677 4.513 10.522 154 2HE LYS 21 3HE LYS 21 -5.456 5.023 9.342 155 1HZ LYS 21 1HZ LYS 21 -8.002 6.406 9.862 156 2HZ LYS 21 2HZ LYS 21 -6.516 6.886 10.372 157 3HZ LYS 21 3HZ LYS 21 -6.864 6.874 8.767 158 H ILE 22 H ILE 22 -6.101 0.671 5.056 159 HA ILE 22 HA ILE 22 -3.628 2.033 4.914 160 HB ILE 22 HB ILE 22 -4.850 -0.206 3.283 161 1HG1 ILE 22 2HG1 ILE 22 -2.624 -0.300 5.356 162 2HG1 ILE 22 3HG1 ILE 22 -4.343 -0.418 5.776 163 1HG2 ILE 22 1HG2 ILE 22 -2.442 -0.679 2.558 164 2HG2 ILE 22 2HG2 ILE 22 -3.154 0.758 1.830 165 3HG2 ILE 22 3HG2 ILE 22 -2.042 0.930 3.196 166 1HD1 ILE 22 1HD1 ILE 22 -3.398 -2.624 5.627 167 2HD1 ILE 22 2HD1 ILE 22 -4.678 -2.351 4.436 168 3HD1 ILE 22 3HD1 ILE 22 -2.968 -2.364 3.924 169 H GLU 23 H GLU 23 -6.000 1.586 2.210 170 HA GLU 23 HA GLU 23 -4.686 3.444 0.526 171 1HB GLU 23 2HB GLU 23 -6.934 3.521 -0.703 172 2HB GLU 23 3HB GLU 23 -6.071 1.982 -0.537 173 1HG GLU 23 2HG GLU 23 -7.573 1.305 1.232 174 2HG GLU 23 3HG GLU 23 -8.547 2.778 0.899 175 H SER 24 H SER 24 -7.584 3.995 2.534 176 HA SER 24 HA SER 24 -7.910 6.708 1.938 177 1HB SER 24 2HB SER 24 -9.581 5.341 3.052 178 2HB SER 24 3HB SER 24 -8.616 5.243 4.526 179 HG SER 24 HG SER 24 -10.276 6.896 4.497 180 H SER 25 H SER 25 -5.564 5.224 4.182 181 HA SER 25 HA SER 25 -4.566 7.794 5.136 182 1HB SER 25 2HB SER 25 -4.287 5.646 6.369 183 2HB SER 25 3HB SER 25 -3.192 5.069 5.110 184 HG SER 25 HG SER 25 -1.988 6.034 6.742 185 H LEU 26 H LEU 26 -3.117 5.331 2.947 186 HA LEU 26 HA LEU 26 -0.886 6.765 2.182 187 1HB LEU 26 2HB LEU 26 -2.471 4.550 0.949 188 2HB LEU 26 3HB LEU 26 -1.109 5.240 0.073 189 HG LEU 26 HG LEU 26 0.493 4.625 1.603 190 1HD1 LEU 26 1HD1 LEU 26 0.208 3.632 3.779 191 2HD1 LEU 26 2HD1 LEU 26 -0.554 5.221 3.792 192 3HD1 LEU 26 3HD1 LEU 26 -1.546 3.750 3.688 193 1HD2 LEU 26 1HD2 LEU 26 -1.676 2.500 1.481 194 2HD2 LEU 26 2HD2 LEU 26 -0.444 2.820 0.247 195 3HD2 LEU 26 3HD2 LEU 26 0.030 2.163 1.831 196 H THR 27 H THR 27 -3.999 6.702 0.435 197 HA THR 27 HA THR 27 -3.327 8.132 -1.856 198 HB THR 27 HB THR 27 -5.762 8.911 -1.761 199 HG1 THR 27 1HG THR 27 -5.852 7.349 0.582 200 1HG2 THR 27 1HG2 THR 27 -5.207 6.850 -2.871 201 2HG2 THR 27 2HG2 THR 27 -5.157 5.959 -1.346 202 3HG2 THR 27 3HG2 THR 27 -6.693 6.628 -1.931 203 H LYS 28 H LYS 28 -3.667 9.378 1.422 204 HA LYS 28 HA LYS 28 -4.110 12.128 0.784 205 1HB LYS 28 2HB LYS 28 -2.864 10.926 3.273 206 2HB LYS 28 3HB LYS 28 -3.645 12.499 3.160 207 1HG LYS 28 2HG LYS 28 -5.226 9.977 2.494 208 2HG LYS 28 3HG LYS 28 -4.919 10.390 4.152 209 1HD LYS 28 2HD LYS 28 -6.091 12.543 3.841 210 2HD LYS 28 3HD LYS 28 -6.183 12.264 2.083 211 1HE LYS 28 2HE LYS 28 -7.563 10.228 2.452 212 2HE LYS 28 3HE LYS 28 -7.482 10.474 4.204 213 1HZ LYS 28 1HZ LYS 28 -8.687 12.534 3.887 214 2HZ LYS 28 2HZ LYS 28 -8.747 12.287 2.257 215 3HZ LYS 28 3HZ LYS 28 -9.522 11.256 3.274 216 H HIS 29 H HIS 29 -1.203 10.155 0.708 217 HA HIS 29 HA HIS 29 0.729 12.267 1.098 218 1HB HIS 29 2HB HIS 29 0.914 9.726 -0.560 219 2HB HIS 29 3HB HIS 29 2.249 10.833 -0.134 220 HD1 HIS 29 1HD HIS 29 3.675 8.989 1.044 221 HD2 HIS 29 2HD HIS 29 -0.266 9.337 2.402 222 HE1 HIS 29 1HE HIS 29 3.435 7.379 3.006 223 H ARG 30 H ARG 30 -1.344 11.277 -1.590 224 HA ARG 30 HA ARG 30 -1.752 12.065 -3.624 225 1HB ARG 30 2HB ARG 30 -0.205 14.526 -2.746 226 2HB ARG 30 3HB ARG 30 -1.226 14.410 -4.171 227 1HG ARG 30 2HG ARG 30 -3.222 14.307 -2.955 228 2HG ARG 30 3HG ARG 30 -2.435 13.763 -1.471 229 1HD ARG 30 2HD ARG 30 -3.122 16.147 -1.331 230 2HD ARG 30 3HD ARG 30 -1.386 15.850 -1.093 231 HE ARG 30 HE ARG 30 -2.176 16.465 -3.853 232 1HH1 ARG 30 2HH2 ARG 30 -1.178 17.900 -0.793 233 2HH1 ARG 30 1HH2 ARG 30 -0.401 19.284 -1.500 234 1HH2 ARG 30 2HH1 ARG 30 -1.153 18.285 -4.840 235 2HH2 ARG 30 1HH1 ARG 30 -0.426 19.519 -3.866 236 H GLY 31 H GLY 31 1.435 11.262 -2.870 237 1HA GLY 31 2HA GLY 31 2.455 11.661 -5.650 238 2HA GLY 31 1HA GLY 31 3.312 11.005 -4.242 239 H ILE 32 H ILE 32 0.093 10.045 -5.305 240 HA ILE 32 HA ILE 32 0.984 7.295 -5.854 241 HB ILE 32 HB ILE 32 -1.057 8.070 -3.763 242 1HG1 ILE 32 2HG1 ILE 32 1.739 6.921 -3.525 243 2HG1 ILE 32 3HG1 ILE 32 1.059 8.417 -2.831 244 1HG2 ILE 32 1HG2 ILE 32 -1.631 5.997 -5.103 245 2HG2 ILE 32 2HG2 ILE 32 -0.060 5.313 -4.623 246 3HG2 ILE 32 3HG2 ILE 32 -1.318 5.653 -3.413 247 1HD1 ILE 32 1HD1 ILE 32 -0.599 6.931 -1.624 248 2HD1 ILE 32 2HD1 ILE 32 0.471 5.567 -2.031 249 3HD1 ILE 32 3HD1 ILE 32 1.080 6.902 -1.025 250 H LEU 33 H LEU 33 -0.118 6.617 -7.621 251 HA LEU 33 HA LEU 33 -2.335 8.296 -8.593 252 1HB LEU 33 2HB LEU 33 -0.890 5.963 -9.935 253 2HB LEU 33 3HB LEU 33 -2.021 7.078 -10.709 254 HG LEU 33 HG LEU 33 0.737 7.790 -9.594 255 1HD1 LEU 33 1HD1 LEU 33 0.783 6.447 -11.660 256 2HD1 LEU 33 2HD1 LEU 33 -0.301 7.609 -12.451 257 3HD1 LEU 33 3HD1 LEU 33 1.330 8.107 -11.952 258 1HD2 LEU 33 1HD2 LEU 33 -1.338 9.524 -11.013 259 2HD2 LEU 33 2HD2 LEU 33 -0.723 9.738 -9.355 260 3HD2 LEU 33 3HD2 LEU 33 0.354 9.986 -10.729 261 H TYR 34 H TYR 34 -1.624 4.974 -7.469 262 HA TYR 34 HA TYR 34 -4.521 4.485 -7.231 263 1HB TYR 34 2HB TYR 34 -3.333 3.646 -9.477 264 2HB TYR 34 3HB TYR 34 -2.660 2.407 -8.402 265 HD1 TYR 34 HD1 TYR 34 -3.823 0.396 -8.318 266 HD2 TYR 34 HD2 TYR 34 -5.947 4.037 -9.219 267 HE1 TYR 34 HE1 TYR 34 -5.881 -0.894 -8.664 268 HE2 TYR 34 HE2 TYR 34 -8.046 2.764 -9.393 269 HH TYR 34 HH TYR 34 -8.229 -0.351 -8.084 270 H CYS 35 H CYS 35 -4.960 2.955 -5.582 271 HA CYS 35 HA CYS 35 -2.852 1.517 -4.140 272 1HB CYS 35 2HB CYS 35 -2.552 3.785 -3.229 273 2HB CYS 35 3HB CYS 35 -4.254 3.818 -2.718 274 HG CYS 35 HG CYS 35 -4.150 1.940 -1.067 275 H SER 36 H SER 36 -4.390 0.012 -5.250 276 HA SER 36 HA SER 36 -7.054 -0.143 -3.954 277 1HB SER 36 2HB SER 36 -5.841 -1.686 -6.240 278 2HB SER 36 3HB SER 36 -7.356 -2.152 -5.448 279 HG SER 36 HG SER 36 -6.990 0.505 -6.255 280 H VAL 37 H VAL 37 -6.995 -0.967 -1.900 281 HA VAL 37 HA VAL 37 -5.061 -3.124 -1.276 282 HB VAL 37 HB VAL 37 -6.952 -1.530 0.534 283 1HG1 VAL 37 1HG1 VAL 37 -6.197 -3.529 1.540 284 2HG1 VAL 37 2HG1 VAL 37 -4.502 -3.247 1.011 285 3HG1 VAL 37 3HG1 VAL 37 -5.259 -2.207 2.238 286 1HG2 VAL 37 1HG2 VAL 37 -3.990 -1.020 0.103 287 2HG2 VAL 37 2HG2 VAL 37 -5.251 -0.053 -0.680 288 3HG2 VAL 37 3HG2 VAL 37 -5.171 -0.112 1.078 289 H ALA 38 H ALA 38 -5.659 -5.196 -1.604 290 HA ALA 38 HA ALA 38 -8.588 -5.828 -1.625 291 1HB ALA 38 1HB ALA 38 -7.955 -7.501 -3.311 292 2HB ALA 38 2HB ALA 38 -7.612 -5.834 -3.816 293 3HB ALA 38 3HB ALA 38 -6.283 -6.875 -3.277 294 H LEU 39 H LEU 39 -8.842 -6.528 0.431 295 HA LEU 39 HA LEU 39 -7.464 -8.085 2.164 296 1HB LEU 39 2HB LEU 39 -9.736 -7.219 2.465 297 2HB LEU 39 3HB LEU 39 -10.394 -8.444 1.397 298 HG LEU 39 HG LEU 39 -8.722 -9.472 3.671 299 1HD1 LEU 39 1HD1 LEU 39 -9.864 -7.695 4.849 300 2HD1 LEU 39 2HD1 LEU 39 -11.429 -8.166 4.142 301 3HD1 LEU 39 3HD1 LEU 39 -10.597 -9.243 5.285 302 1HD2 LEU 39 1HD2 LEU 39 -11.477 -10.243 2.600 303 2HD2 LEU 39 2HD2 LEU 39 -9.950 -11.021 2.141 304 3HD2 LEU 39 3HD2 LEU 39 -10.532 -11.140 3.803 305 H ALA 40 H ALA 40 -9.170 -9.286 -0.700 306 HA ALA 40 HA ALA 40 -9.197 -12.039 -0.051 307 1HB ALA 40 1HB ALA 40 -10.644 -10.995 -1.762 308 2HB ALA 40 2HB ALA 40 -9.221 -10.692 -2.790 309 3HB ALA 40 3HB ALA 40 -9.729 -12.359 -2.439 310 H THR 41 H THR 41 -6.682 -10.027 -1.409 311 HA THR 41 HA THR 41 -4.924 -12.403 -1.887 312 HB THR 41 HB THR 41 -5.538 -11.434 -3.975 313 HG1 THR 41 1HG THR 41 -2.988 -11.013 -3.019 314 1HG2 THR 41 1HG2 THR 41 -5.269 -9.132 -4.601 315 2HG2 THR 41 2HG2 THR 41 -6.444 -9.311 -3.327 316 3HG2 THR 41 3HG2 THR 41 -4.821 -8.704 -2.923 317 H ASN 42 H ASN 42 -5.594 -10.329 0.411 318 HA ASN 42 HA ASN 42 -4.599 -8.772 1.656 319 1HB ASN 42 2HB ASN 42 -3.857 -11.452 2.261 320 2HB ASN 42 3HB ASN 42 -2.477 -10.454 2.686 321 1HD2 ASN 42 1HD2 ASN 42 -6.109 -10.311 2.915 322 2HD2 ASN 42 2HD2 ASN 42 -6.127 -9.673 4.556 323 H LYS 43 H LYS 43 -4.034 -7.612 -0.396 324 HA LYS 43 HA LYS 43 -1.204 -6.824 -0.297 325 1HB LYS 43 2HB LYS 43 -0.853 -8.403 -1.921 326 2HB LYS 43 3HB LYS 43 -2.508 -8.410 -2.475 327 1HG LYS 43 2HG LYS 43 -0.717 -6.082 -3.175 328 2HG LYS 43 3HG LYS 43 -0.641 -7.584 -4.037 329 1HD LYS 43 2HD LYS 43 -3.382 -6.313 -3.625 330 2HD LYS 43 3HD LYS 43 -2.296 -5.660 -4.863 331 1HE LYS 43 2HE LYS 43 -3.118 -8.556 -4.640 332 2HE LYS 43 3HE LYS 43 -3.962 -7.369 -5.646 333 1HZ LYS 43 1HZ LYS 43 -2.405 -8.598 -6.963 334 2HZ LYS 43 2HZ LYS 43 -1.911 -7.034 -6.864 335 3HZ LYS 43 3HZ LYS 43 -1.146 -8.177 -5.993 336 H ALA 44 H ALA 44 -0.765 -4.864 -1.289 337 HA ALA 44 HA ALA 44 -3.089 -3.142 -2.035 338 1HB ALA 44 1HB ALA 44 -1.853 -2.308 -0.029 339 2HB ALA 44 2HB ALA 44 -0.378 -2.248 -1.016 340 3HB ALA 44 3HB ALA 44 -1.763 -1.225 -1.432 341 H HIS 45 H HIS 45 -3.243 -2.994 -4.148 342 HA HIS 45 HA HIS 45 -0.855 -3.095 -5.948 343 1HB HIS 45 2HB HIS 45 -3.130 -4.113 -6.606 344 2HB HIS 45 3HB HIS 45 -3.729 -2.440 -6.615 345 HD1 HIS 45 1HD HIS 45 -2.144 -4.849 -8.866 346 HD2 HIS 45 2HD HIS 45 -1.838 -0.834 -8.116 347 HE1 HIS 45 1HE HIS 45 -1.356 -3.819 -11.072 348 H ILE 46 H ILE 46 0.360 -1.376 -5.297 349 HA ILE 46 HA ILE 46 -1.033 1.240 -5.274 350 HB ILE 46 HB ILE 46 1.803 0.694 -4.397 351 1HG1 ILE 46 2HG1 ILE 46 -0.840 0.566 -2.888 352 2HG1 ILE 46 3HG1 ILE 46 0.417 -0.687 -2.997 353 1HG2 ILE 46 1HG2 ILE 46 1.101 3.039 -5.040 354 2HG2 ILE 46 2HG2 ILE 46 -0.129 2.960 -3.763 355 3HG2 ILE 46 3HG2 ILE 46 1.599 2.872 -3.365 356 1HD1 ILE 46 1HD1 ILE 46 0.600 1.943 -1.545 357 2HD1 ILE 46 2HD1 ILE 46 0.533 0.318 -0.837 358 3HD1 ILE 46 3HD1 ILE 46 1.966 0.809 -1.781 359 H LYS 47 H LYS 47 -0.510 2.738 -6.803 360 HA LYS 47 HA LYS 47 1.666 2.078 -8.662 361 1HB LYS 47 2HB LYS 47 -0.989 3.331 -9.370 362 2HB LYS 47 3HB LYS 47 0.434 3.395 -10.408 363 1HG LYS 47 2HG LYS 47 0.477 1.017 -10.674 364 2HG LYS 47 3HG LYS 47 -0.813 0.767 -9.487 365 1HD LYS 47 2HD LYS 47 -2.483 1.727 -10.872 366 2HD LYS 47 3HD LYS 47 -1.296 2.602 -11.827 367 1HE LYS 47 2HE LYS 47 -0.483 0.170 -12.548 368 2HE LYS 47 3HE LYS 47 -2.102 -0.311 -12.011 369 1HZ LYS 47 1HZ LYS 47 -1.370 1.690 -14.046 370 2HZ LYS 47 2HZ LYS 47 -2.062 0.237 -14.340 371 3HZ LYS 47 3HZ LYS 47 -2.928 1.425 -13.576 372 H TYR 48 H TYR 48 3.201 3.809 -8.337 373 HA TYR 48 HA TYR 48 2.190 6.333 -7.193 374 1HB TYR 48 2HB TYR 48 3.421 6.190 -5.227 375 2HB TYR 48 3HB TYR 48 2.864 4.540 -5.385 376 HD1 TYR 48 HD1 TYR 48 4.515 2.861 -6.592 377 HD2 TYR 48 HD2 TYR 48 5.723 6.724 -5.122 378 HE1 TYR 48 HE1 TYR 48 6.907 2.186 -6.731 379 HE2 TYR 48 HE2 TYR 48 8.075 5.976 -5.071 380 HH TYR 48 HH TYR 48 9.552 4.325 -5.703 381 H ASP 49 H ASP 49 3.928 7.959 -6.849 382 HA ASP 49 HA ASP 49 5.364 8.105 -9.433 383 1HB ASP 49 2HB ASP 49 4.517 10.291 -7.522 384 2HB ASP 49 3HB ASP 49 5.147 10.453 -9.177 385 HA PRO 50 HA PRO 50 8.897 7.780 -6.458 386 1HB PRO 50 2HB PRO 50 10.779 6.657 -8.083 387 2HB PRO 50 3HB PRO 50 9.393 5.741 -7.453 388 1HG PRO 50 2HG PRO 50 9.558 7.127 -10.143 389 2HG PRO 50 3HG PRO 50 9.179 5.403 -9.830 390 1HD PRO 50 2HD PRO 50 7.200 7.189 -10.149 391 2HD PRO 50 3HD PRO 50 7.087 5.957 -8.848 392 H GLU 51 H GLU 51 8.162 10.285 -7.451 393 HA GLU 51 HA GLU 51 10.851 11.518 -7.596 394 1HB GLU 51 2HB GLU 51 9.971 13.232 -9.178 395 2HB GLU 51 3HB GLU 51 10.123 11.621 -9.887 396 1HG GLU 51 2HG GLU 51 7.699 11.252 -9.694 397 2HG GLU 51 3HG GLU 51 7.506 12.817 -8.875 398 H ILE 52 H ILE 52 8.606 10.905 -5.606 399 HA ILE 52 HA ILE 52 8.663 13.469 -4.225 400 HB ILE 52 HB ILE 52 6.818 13.805 -5.682 401 1HG1 ILE 52 2HG1 ILE 52 6.722 14.637 -3.311 402 2HG1 ILE 52 3HG1 ILE 52 5.220 14.615 -4.233 403 1HG2 ILE 52 1HG2 ILE 52 5.434 11.305 -4.796 404 2HG2 ILE 52 2HG2 ILE 52 4.747 12.624 -5.752 405 3HG2 ILE 52 3HG2 ILE 52 6.108 11.708 -6.388 406 1HD1 ILE 52 1HD1 ILE 52 5.958 12.593 -2.069 407 2HD1 ILE 52 2HD1 ILE 52 4.796 13.913 -1.959 408 3HD1 ILE 52 3HD1 ILE 52 4.485 12.568 -3.058 409 H ILE 53 H ILE 53 7.079 10.285 -4.383 410 HA ILE 53 HA ILE 53 7.408 9.899 -1.453 411 HB ILE 53 HB ILE 53 5.547 8.962 -3.632 412 1HG1 ILE 53 2HG1 ILE 53 5.182 9.335 -0.620 413 2HG1 ILE 53 3HG1 ILE 53 4.776 10.546 -1.833 414 1HG2 ILE 53 1HG2 ILE 53 6.103 7.185 -1.273 415 2HG2 ILE 53 2HG2 ILE 53 4.965 6.923 -2.616 416 3HG2 ILE 53 3HG2 ILE 53 6.667 6.832 -2.936 417 1HD1 ILE 53 1HD1 ILE 53 2.753 9.603 -1.782 418 2HD1 ILE 53 2HD1 ILE 53 3.444 8.480 -2.915 419 3HD1 ILE 53 3HD1 ILE 53 3.354 8.025 -1.197 420 H GLY 54 H GLY 54 8.767 8.310 -0.690 421 1HA GLY 54 2HA GLY 54 10.289 6.624 -2.618 422 2HA GLY 54 1HA GLY 54 10.606 6.806 -0.889 423 HA PRO 55 HA PRO 55 7.380 3.340 -1.819 424 1HB PRO 55 2HB PRO 55 8.941 1.070 -2.005 425 2HB PRO 55 3HB PRO 55 8.418 2.058 -3.395 426 1HG PRO 55 2HG PRO 55 11.089 2.111 -2.004 427 2HG PRO 55 3HG PRO 55 10.734 2.181 -3.758 428 1HD PRO 55 2HD PRO 55 11.297 4.415 -2.251 429 2HD PRO 55 3HD PRO 55 10.200 4.459 -3.656 430 H ARG 56 H ARG 56 10.436 3.288 0.011 431 HA ARG 56 HA ARG 56 9.686 1.757 2.269 432 1HB ARG 56 2HB ARG 56 11.511 4.185 2.027 433 2HB ARG 56 3HB ARG 56 11.294 3.223 3.499 434 1HG ARG 56 2HG ARG 56 11.941 1.160 2.209 435 2HG ARG 56 3HG ARG 56 12.372 2.201 0.835 436 1HD ARG 56 2HD ARG 56 14.036 3.372 2.227 437 2HD ARG 56 3HD ARG 56 13.509 2.438 3.652 438 HE ARG 56 HE ARG 56 14.298 0.678 1.527 439 1HH1 ARG 56 2HH2 ARG 56 15.654 2.827 3.963 440 2HH1 ARG 56 1HH2 ARG 56 17.112 1.918 4.208 441 1HH2 ARG 56 2HH1 ARG 56 16.230 -0.571 1.809 442 2HH2 ARG 56 1HH1 ARG 56 17.450 -0.058 2.926 443 H ASP 57 H ASP 57 9.136 5.307 1.657 444 HA ASP 57 HA ASP 57 7.994 6.010 4.003 445 1HB ASP 57 2HB ASP 57 6.726 6.883 1.386 446 2HB ASP 57 3HB ASP 57 6.991 7.812 2.853 447 H ILE 58 H ILE 58 6.340 4.576 1.171 448 HA ILE 58 HA ILE 58 3.744 4.500 2.401 449 HB ILE 58 HB ILE 58 4.878 3.013 -0.006 450 1HG1 ILE 58 2HG1 ILE 58 2.656 5.069 0.079 451 2HG1 ILE 58 3HG1 ILE 58 4.341 5.617 0.087 452 1HG2 ILE 58 1HG2 ILE 58 2.398 2.540 -0.398 453 2HG2 ILE 58 2HG2 ILE 58 3.188 1.540 0.818 454 3HG2 ILE 58 3HG2 ILE 58 2.152 2.901 1.309 455 1HD1 ILE 58 1HD1 ILE 58 3.328 5.467 -2.199 456 2HD1 ILE 58 2HD1 ILE 58 4.830 4.528 -1.980 457 3HD1 ILE 58 3HD1 ILE 58 3.259 3.710 -2.017 458 H ILE 59 H ILE 59 6.224 1.927 1.904 459 HA ILE 59 HA ILE 59 4.826 -0.182 3.137 460 HB ILE 59 HB ILE 59 7.796 0.454 3.065 461 1HG1 ILE 59 2HG1 ILE 59 6.275 -1.641 1.463 462 2HG1 ILE 59 3HG1 ILE 59 6.381 0.025 0.896 463 1HG2 ILE 59 1HG2 ILE 59 8.166 -1.967 3.567 464 2HG2 ILE 59 2HG2 ILE 59 7.415 -1.129 4.918 465 3HG2 ILE 59 3HG2 ILE 59 6.429 -2.154 3.858 466 1HD1 ILE 59 1HD1 ILE 59 8.861 -0.092 0.972 467 2HD1 ILE 59 2HD1 ILE 59 8.746 -1.815 1.393 468 3HD1 ILE 59 3HD1 ILE 59 8.116 -1.231 -0.160 469 H HIS 60 H HIS 60 7.054 2.172 4.664 470 HA HIS 60 HA HIS 60 6.785 1.300 7.318 471 1HB HIS 60 2HB HIS 60 8.504 2.884 6.441 472 2HB HIS 60 3HB HIS 60 7.263 4.136 6.292 473 HD1 HIS 60 1HD HIS 60 6.318 5.123 8.681 474 HD2 HIS 60 2HD HIS 60 9.330 2.193 8.871 475 HE1 HIS 60 1HE HIS 60 7.132 5.075 11.103 476 H THR 61 H THR 61 4.857 3.725 5.425 477 HA THR 61 HA THR 61 3.240 4.507 7.648 478 HB THR 61 HB THR 61 2.507 4.523 4.692 479 HG1 THR 61 1HG THR 61 4.392 5.705 5.177 480 1HG2 THR 61 1HG2 THR 61 1.416 6.083 7.081 481 2HG2 THR 61 2HG2 THR 61 1.007 6.381 5.381 482 3HG2 THR 61 3HG2 THR 61 0.528 4.856 6.153 483 H ILE 62 H ILE 62 2.824 1.897 5.216 484 HA ILE 62 HA ILE 62 0.296 0.949 6.097 485 HB ILE 62 HB ILE 62 2.608 -0.526 4.783 486 1HG1 ILE 62 2HG1 ILE 62 -0.024 0.636 3.833 487 2HG1 ILE 62 3HG1 ILE 62 1.571 1.300 3.490 488 1HG2 ILE 62 1HG2 ILE 62 -0.252 -1.487 5.210 489 2HG2 ILE 62 2HG2 ILE 62 1.016 -2.322 4.291 490 3HG2 ILE 62 3HG2 ILE 62 1.189 -2.150 6.018 491 1HD1 ILE 62 1HD1 ILE 62 2.130 -0.918 2.354 492 2HD1 ILE 62 2HD1 ILE 62 0.377 -1.269 2.444 493 3HD1 ILE 62 3HD1 ILE 62 0.956 0.120 1.523 494 H GLU 63 H GLU 63 3.562 -0.364 6.919 495 HA GLU 63 HA GLU 63 2.551 -2.171 8.790 496 1HB GLU 63 2HB GLU 63 5.312 -0.864 8.723 497 2HB GLU 63 3HB GLU 63 4.869 -2.318 9.640 498 1HG GLU 63 2HG GLU 63 4.135 -3.396 7.498 499 2HG GLU 63 3HG GLU 63 4.769 -2.013 6.602 500 H SER 64 H SER 64 3.781 1.101 9.282 501 HA SER 64 HA SER 64 3.547 1.256 12.065 502 1HB SER 64 2HB SER 64 4.838 2.824 10.692 503 2HB SER 64 3HB SER 64 3.340 3.490 10.011 504 HG SER 64 HG SER 64 2.873 3.740 12.468 505 H LEU 65 H LEU 65 0.800 1.412 9.696 506 HA LEU 65 HA LEU 65 -0.976 2.541 11.688 507 1HB LEU 65 2HB LEU 65 -1.421 0.784 9.265 508 2HB LEU 65 3HB LEU 65 -2.733 1.435 10.245 509 HG LEU 65 HG LEU 65 -0.634 3.357 9.199 510 1HD1 LEU 65 1HD1 LEU 65 -1.845 3.582 7.087 511 2HD1 LEU 65 2HD1 LEU 65 -1.166 1.959 7.325 512 3HD1 LEU 65 3HD1 LEU 65 -2.915 2.226 7.540 513 1HD2 LEU 65 1HD2 LEU 65 -2.340 4.170 10.744 514 2HD2 LEU 65 2HD2 LEU 65 -2.553 4.881 9.132 515 3HD2 LEU 65 3HD2 LEU 65 -3.624 3.563 9.672 516 H GLY 66 H GLY 66 -0.976 -0.888 10.506 517 1HA GLY 66 2HA GLY 66 -0.480 -1.868 13.184 518 2HA GLY 66 1HA GLY 66 -2.181 -2.059 12.721 519 H PHE 67 H PHE 67 0.718 -2.342 10.549 520 HA PHE 67 HA PHE 67 -0.119 -5.199 10.080 521 1HB PHE 67 2HB PHE 67 0.577 -3.165 7.956 522 2HB PHE 67 3HB PHE 67 -0.032 -4.798 7.709 523 HD1 PHE 67 1HD PHE 67 -1.040 -1.479 7.494 524 HD2 PHE 67 2HD PHE 67 -2.315 -5.197 9.238 525 HE1 PHE 67 1HE PHE 67 -3.227 -0.473 8.036 526 HE2 PHE 67 2HE PHE 67 -4.520 -4.215 9.737 527 HZ PHE 67 HZ PHE 67 -4.944 -1.807 9.219 528 H GLU 68 H GLU 68 1.383 -6.296 8.537 529 HA GLU 68 HA GLU 68 4.246 -5.484 8.787 530 1HB GLU 68 2HB GLU 68 3.717 -7.622 10.059 531 2HB GLU 68 3HB GLU 68 3.014 -8.240 8.568 532 1HG GLU 68 2HG GLU 68 5.436 -7.791 7.567 533 2HG GLU 68 3HG GLU 68 5.928 -7.750 9.259 534 H ALA 69 H ALA 69 5.214 -5.474 6.617 535 HA ALA 69 HA ALA 69 3.425 -6.257 4.365 536 1HB ALA 69 1HB ALA 69 4.721 -3.529 4.715 537 2HB ALA 69 2HB ALA 69 3.783 -4.062 3.304 538 3HB ALA 69 3HB ALA 69 2.986 -3.872 4.879 539 H SER 70 H SER 70 4.437 -6.238 2.263 540 HA SER 70 HA SER 70 7.376 -6.421 2.175 541 1HB SER 70 2HB SER 70 6.454 -8.639 3.064 542 2HB SER 70 3HB SER 70 5.637 -8.834 1.507 543 HG SER 70 HG SER 70 8.436 -8.564 1.952 544 H LEU 71 H LEU 71 7.750 -5.198 0.345 545 HA LEU 71 HA LEU 71 5.889 -5.035 -1.856 546 1HB LEU 71 2HB LEU 71 7.446 -3.781 -3.008 547 2HB LEU 71 3HB LEU 71 7.477 -3.242 -1.333 548 HG LEU 71 HG LEU 71 9.570 -4.978 -2.734 549 1HD1 LEU 71 1HD1 LEU 71 9.660 -2.084 -1.791 550 2HD1 LEU 71 2HD1 LEU 71 10.980 -2.983 -2.567 551 3HD1 LEU 71 3HD1 LEU 71 9.502 -2.624 -3.474 552 1HD2 LEU 71 1HD2 LEU 71 10.969 -4.500 -0.696 553 2HD2 LEU 71 2HD2 LEU 71 9.519 -3.872 0.112 554 3HD2 LEU 71 3HD2 LEU 71 9.621 -5.586 -0.375 555 H VAL 72 H VAL 72 5.579 -6.377 -3.571 556 HA VAL 72 HA VAL 72 7.414 -8.733 -3.739 557 HB VAL 72 HB VAL 72 5.521 -9.985 -4.582 558 1HG1 VAL 72 1HG1 VAL 72 4.526 -10.392 -2.448 559 2HG1 VAL 72 2HG1 VAL 72 6.221 -9.962 -2.178 560 3HG1 VAL 72 3HG1 VAL 72 4.947 -8.759 -1.882 561 1HG2 VAL 72 1HG2 VAL 72 4.027 -8.194 -5.428 562 2HG2 VAL 72 2HG2 VAL 72 3.222 -9.263 -4.280 563 3HG2 VAL 72 3HG2 VAL 72 3.745 -7.658 -3.754 564 H LYS 73 H LYS 73 8.673 -8.757 -5.437 565 HA LYS 73 HA LYS 73 8.349 -6.813 -7.542 566 1HB LYS 73 2HB LYS 73 10.532 -7.577 -6.470 567 2HB LYS 73 3HB LYS 73 10.346 -9.105 -7.330 568 1HG LYS 73 2HG LYS 73 11.832 -7.741 -8.592 569 2HG LYS 73 3HG LYS 73 10.311 -7.805 -9.494 570 1HD LYS 73 2HD LYS 73 9.707 -5.537 -8.688 571 2HD LYS 73 3HD LYS 73 11.081 -5.539 -7.571 572 1HE LYS 73 2HE LYS 73 11.553 -4.150 -9.513 573 2HE LYS 73 3HE LYS 73 12.653 -5.539 -9.485 574 1HZ LYS 73 1HZ LYS 73 11.256 -6.597 -11.173 575 2HZ LYS 73 2HZ LYS 73 10.164 -5.473 -11.114 576 3HZ LYS 73 3HZ LYS 73 11.662 -5.096 -11.705 577 H ILE 74 H ILE 74 6.186 -7.674 -8.037 578 HA ILE 74 HA ILE 74 5.756 -10.265 -8.951 579 HB ILE 74 HB ILE 74 4.067 -8.865 -7.985 580 1HG1 ILE 74 2HG1 ILE 74 3.232 -9.694 -10.796 581 2HG1 ILE 74 3HG1 ILE 74 3.485 -10.804 -9.441 582 1HG2 ILE 74 1HG2 ILE 74 4.659 -6.678 -9.041 583 2HG2 ILE 74 2HG2 ILE 74 3.966 -7.253 -10.568 584 3HG2 ILE 74 3HG2 ILE 74 2.943 -7.052 -9.144 585 1HD1 ILE 74 1HD1 ILE 74 1.727 -9.570 -8.143 586 2HD1 ILE 74 2HD1 ILE 74 1.385 -8.607 -9.603 587 3HD1 ILE 74 3HD1 ILE 74 1.132 -10.357 -9.620 588 H GLU 75 H GLU 75 6.402 -7.367 -10.951 589 HA GLU 75 HA GLU 75 6.329 -7.006 -13.161 590 1HB GLU 75 2HB GLU 75 7.842 -9.615 -13.022 591 2HB GLU 75 3HB GLU 75 7.320 -9.019 -14.593 592 1HG GLU 75 2HG GLU 75 9.527 -8.242 -14.247 593 2HG GLU 75 3HG GLU 75 8.430 -6.861 -14.230 Start of MODEL 8 1 1H MET 1 H1 MET 1 7.716 12.090 -14.762 2 2H MET 1 H2 MET 1 7.422 12.443 -13.132 3 3H MET 1 H3 MET 1 8.075 11.079 -13.490 4 HA MET 1 HA MET 1 5.723 10.972 -12.906 5 1HB MET 1 2HB MET 1 5.397 11.816 -15.829 6 2HB MET 1 3HB MET 1 4.115 11.338 -14.706 7 1HG MET 1 2HG MET 1 5.824 13.849 -14.582 8 2HG MET 1 3HG MET 1 4.101 13.727 -14.937 9 1HE MET 1 1HE MET 1 4.196 15.656 -11.544 10 2HE MET 1 2HE MET 1 5.385 15.770 -12.863 11 3HE MET 1 3HE MET 1 3.643 15.677 -13.235 12 H GLY 2 H GLY 2 7.681 9.220 -12.990 13 1HA GLY 2 2HA GLY 2 7.401 7.302 -15.201 14 2HA GLY 2 1HA GLY 2 8.286 7.097 -13.677 15 H ASP 3 H ASP 3 6.578 5.090 -14.793 16 HA ASP 3 HA ASP 3 4.231 4.944 -13.029 17 1HB ASP 3 2HB ASP 3 4.464 3.776 -15.305 18 2HB ASP 3 3HB ASP 3 5.559 2.641 -14.503 19 H GLY 4 H GLY 4 4.389 2.678 -11.716 20 1HA GLY 4 2HA GLY 4 6.654 1.904 -10.326 21 2HA GLY 4 1HA GLY 4 6.051 3.307 -9.431 22 H VAL 5 H VAL 5 5.117 0.223 -10.877 23 HA VAL 5 HA VAL 5 2.641 -0.021 -9.359 24 HB VAL 5 HB VAL 5 2.758 -0.914 -11.559 25 1HG1 VAL 5 1HG1 VAL 5 4.024 -2.831 -12.263 26 2HG1 VAL 5 2HG1 VAL 5 5.142 -1.559 -11.771 27 3HG1 VAL 5 3HG1 VAL 5 4.853 -2.953 -10.712 28 1HG2 VAL 5 1HG2 VAL 5 1.307 -1.991 -9.851 29 2HG2 VAL 5 2HG2 VAL 5 1.774 -3.082 -11.167 30 3HG2 VAL 5 3HG2 VAL 5 2.560 -3.215 -9.587 31 H LEU 6 H LEU 6 3.434 0.385 -7.277 32 HA LEU 6 HA LEU 6 5.212 -1.624 -6.030 33 1HB LEU 6 2HB LEU 6 5.375 0.727 -5.291 34 2HB LEU 6 3HB LEU 6 3.668 0.730 -4.857 35 HG LEU 6 HG LEU 6 4.189 -1.027 -3.108 36 1HD1 LEU 6 1HD1 LEU 6 7.062 -0.511 -4.014 37 2HD1 LEU 6 2HD1 LEU 6 6.599 -1.341 -2.514 38 3HD1 LEU 6 3HD1 LEU 6 6.192 -2.062 -4.075 39 1HD2 LEU 6 1HD2 LEU 6 5.377 0.548 -1.604 40 2HD2 LEU 6 2HD2 LEU 6 5.803 1.549 -3.012 41 3HD2 LEU 6 3HD2 LEU 6 4.103 1.343 -2.546 42 H GLU 7 H GLU 7 3.950 -3.229 -6.862 43 HA GLU 7 HA GLU 7 1.497 -3.953 -5.433 44 1HB GLU 7 2HB GLU 7 2.708 -4.821 -7.786 45 2HB GLU 7 3HB GLU 7 3.209 -6.059 -6.622 46 1HG GLU 7 2HG GLU 7 1.190 -6.728 -7.616 47 2HG GLU 7 3HG GLU 7 0.795 -6.282 -5.930 48 H LEU 8 H LEU 8 1.659 -4.513 -3.271 49 HA LEU 8 HA LEU 8 4.063 -6.068 -2.442 50 1HB LEU 8 2HB LEU 8 4.215 -4.826 -0.348 51 2HB LEU 8 3HB LEU 8 4.473 -3.818 -1.776 52 HG LEU 8 HG LEU 8 2.175 -2.900 -1.552 53 1HD1 LEU 8 1HD1 LEU 8 2.351 -4.527 1.043 54 2HD1 LEU 8 2HD1 LEU 8 1.370 -3.063 0.950 55 3HD1 LEU 8 3HD1 LEU 8 0.983 -4.433 -0.068 56 1HD2 LEU 8 1HD2 LEU 8 3.915 -2.420 0.863 57 2HD2 LEU 8 2HD2 LEU 8 4.343 -1.848 -0.766 58 3HD2 LEU 8 3HD2 LEU 8 2.855 -1.290 -0.017 59 H VAL 9 H VAL 9 3.747 -7.689 -1.012 60 HA VAL 9 HA VAL 9 0.939 -8.514 -0.497 61 HB VAL 9 HB VAL 9 3.639 -9.670 0.279 62 1HG1 VAL 9 1HG1 VAL 9 2.067 -10.190 2.096 63 2HG1 VAL 9 2HG1 VAL 9 0.828 -10.683 0.921 64 3HG1 VAL 9 3HG1 VAL 9 2.318 -11.631 1.107 65 1HG2 VAL 9 1HG2 VAL 9 1.419 -10.707 -1.544 66 2HG2 VAL 9 2HG2 VAL 9 2.904 -9.929 -2.114 67 3HG2 VAL 9 3HG2 VAL 9 2.993 -11.474 -1.250 68 H VAL 10 H VAL 10 -0.087 -8.174 1.490 69 HA VAL 10 HA VAL 10 1.416 -6.770 3.625 70 HB VAL 10 HB VAL 10 0.187 -5.055 2.447 71 1HG1 VAL 10 1HG1 VAL 10 -2.284 -6.747 2.909 72 2HG1 VAL 10 2HG1 VAL 10 -2.298 -5.053 2.377 73 3HG1 VAL 10 3HG1 VAL 10 -1.570 -6.287 1.347 74 1HG2 VAL 10 1HG2 VAL 10 -1.092 -4.115 4.267 75 2HG2 VAL 10 2HG2 VAL 10 -1.229 -5.688 5.063 76 3HG2 VAL 10 3HG2 VAL 10 0.359 -4.897 4.904 77 H ARG 11 H ARG 11 0.538 -7.262 5.767 78 HA ARG 11 HA ARG 11 -1.555 -9.323 5.835 79 1HB ARG 11 2HB ARG 11 -0.293 -10.904 7.121 80 2HB ARG 11 3HB ARG 11 0.534 -10.621 5.587 81 1HG ARG 11 2HG ARG 11 2.098 -9.054 6.767 82 2HG ARG 11 3HG ARG 11 1.288 -9.449 8.299 83 1HD ARG 11 2HD ARG 11 1.857 -11.958 7.637 84 2HD ARG 11 3HD ARG 11 2.959 -11.221 6.490 85 HE ARG 11 HE ARG 11 4.405 -10.677 8.154 86 1HH1 ARG 11 2HH2 ARG 11 1.335 -11.563 9.623 87 2HH1 ARG 11 1HH2 ARG 11 1.918 -11.537 11.263 88 1HH2 ARG 11 2HH1 ARG 11 5.128 -10.334 10.327 89 2HH2 ARG 11 1HH1 ARG 11 4.186 -10.916 11.663 90 H GLY 12 H GLY 12 -2.565 -9.505 7.810 91 1HA GLY 12 2HA GLY 12 -2.910 -8.833 10.102 92 2HA GLY 12 1HA GLY 12 -2.121 -7.290 9.783 93 H MET 13 H MET 13 -3.760 -7.607 6.971 94 HA MET 13 HA MET 13 -5.949 -5.915 7.760 95 1HB MET 13 2HB MET 13 -5.595 -7.524 5.210 96 2HB MET 13 3HB MET 13 -6.761 -6.226 5.512 97 1HG MET 13 2HG MET 13 -4.654 -4.766 6.030 98 2HG MET 13 3HG MET 13 -3.777 -6.027 5.146 99 1HE MET 13 1HE MET 13 -4.559 -6.706 2.553 100 2HE MET 13 2HE MET 13 -6.243 -6.812 3.122 101 3HE MET 13 3HE MET 13 -5.853 -5.830 1.698 102 H THR 14 H THR 14 -7.599 -6.642 8.990 103 HA THR 14 HA THR 14 -8.499 -9.403 9.015 104 HB THR 14 HB THR 14 -10.166 -8.338 10.628 105 HG1 THR 14 1HG THR 14 -8.946 -6.050 11.041 106 1HG2 THR 14 1HG2 THR 14 -8.004 -9.281 11.417 107 2HG2 THR 14 2HG2 THR 14 -7.216 -7.713 11.160 108 3HG2 THR 14 3HG2 THR 14 -8.498 -7.876 12.376 109 H CYS 15 H CYS 15 -9.814 -6.234 8.021 110 HA CYS 15 HA CYS 15 -11.861 -7.290 6.215 111 1HB CYS 15 2HB CYS 15 -13.741 -6.794 7.651 112 2HB CYS 15 3HB CYS 15 -12.692 -7.882 8.569 113 HG CYS 15 HG CYS 15 -11.426 -5.995 9.859 114 H ALA 16 H ALA 16 -13.442 -5.576 5.804 115 HA ALA 16 HA ALA 16 -12.701 -3.617 4.278 116 1HB ALA 16 1HB ALA 16 -14.986 -4.311 4.709 117 2HB ALA 16 2HB ALA 16 -14.994 -3.432 6.252 118 3HB ALA 16 3HB ALA 16 -14.857 -2.535 4.717 119 H SER 17 H SER 17 -13.043 -2.965 7.829 120 HA SER 17 HA SER 17 -12.365 -0.191 7.595 121 1HB SER 17 2HB SER 17 -11.989 -0.461 10.090 122 2HB SER 17 3HB SER 17 -13.596 -0.872 9.466 123 HG SER 17 HG SER 17 -11.817 -2.982 9.440 124 H CYS 18 H CYS 18 -10.338 -3.122 8.183 125 HA CYS 18 HA CYS 18 -7.990 -1.490 8.938 126 1HB CYS 18 2HB CYS 18 -8.534 -4.477 8.638 127 2HB CYS 18 3HB CYS 18 -6.891 -3.830 8.788 128 HG CYS 18 HG CYS 18 -9.394 -3.190 10.820 129 H VAL 19 H VAL 19 -9.416 -3.302 6.301 130 HA VAL 19 HA VAL 19 -7.464 -2.999 4.340 131 HB VAL 19 HB VAL 19 -10.452 -3.238 4.412 132 1HG1 VAL 19 1HG1 VAL 19 -10.644 -3.579 2.041 133 2HG1 VAL 19 2HG1 VAL 19 -10.175 -1.918 2.364 134 3HG1 VAL 19 3HG1 VAL 19 -8.968 -3.086 1.785 135 1HG2 VAL 19 1HG2 VAL 19 -8.322 -5.053 3.276 136 2HG2 VAL 19 2HG2 VAL 19 -8.998 -5.181 4.914 137 3HG2 VAL 19 3HG2 VAL 19 -10.048 -5.409 3.510 138 H HIS 20 H HIS 20 -10.384 -0.824 4.514 139 HA HIS 20 HA HIS 20 -8.965 0.815 2.762 140 1HB HIS 20 2HB HIS 20 -10.809 2.152 2.439 141 2HB HIS 20 3HB HIS 20 -11.403 0.509 2.708 142 HD1 HIS 20 1HD HIS 20 -13.214 3.157 3.171 143 HD2 HIS 20 2HD HIS 20 -11.014 1.017 5.995 144 HE1 HIS 20 1HE HIS 20 -14.304 3.640 5.442 145 H LYS 21 H LYS 21 -8.899 0.887 6.208 146 HA LYS 21 HA LYS 21 -8.043 3.466 6.842 147 1HB LYS 21 2HB LYS 21 -8.167 1.566 8.430 148 2HB LYS 21 3HB LYS 21 -6.778 0.802 7.637 149 1HG LYS 21 2HG LYS 21 -5.409 2.837 8.317 150 2HG LYS 21 3HG LYS 21 -6.841 3.414 9.193 151 1HD LYS 21 2HD LYS 21 -6.820 1.171 10.441 152 2HD LYS 21 3HD LYS 21 -5.254 0.846 9.673 153 1HE LYS 21 2HE LYS 21 -4.390 3.012 10.711 154 2HE LYS 21 3HE LYS 21 -5.946 3.174 11.537 155 1HZ LYS 21 1HZ LYS 21 -3.893 1.092 11.971 156 2HZ LYS 21 2HZ LYS 21 -4.413 2.216 13.010 157 3HZ LYS 21 3HZ LYS 21 -5.423 0.989 12.591 158 H ILE 22 H ILE 22 -6.295 0.823 5.142 159 HA ILE 22 HA ILE 22 -3.808 2.240 4.892 160 HB ILE 22 HB ILE 22 -4.977 -0.034 3.238 161 1HG1 ILE 22 2HG1 ILE 22 -2.951 -0.048 5.501 162 2HG1 ILE 22 3HG1 ILE 22 -4.661 -0.474 5.701 163 1HG2 ILE 22 1HG2 ILE 22 -3.243 1.107 1.954 164 2HG2 ILE 22 2HG2 ILE 22 -2.178 1.140 3.373 165 3HG2 ILE 22 3HG2 ILE 22 -2.571 -0.394 2.564 166 1HD1 ILE 22 1HD1 ILE 22 -4.459 -2.212 4.016 167 2HD1 ILE 22 2HD1 ILE 22 -2.683 -2.032 4.026 168 3HD1 ILE 22 3HD1 ILE 22 -3.543 -2.540 5.488 169 H GLU 23 H GLU 23 -6.370 1.542 2.432 170 HA GLU 23 HA GLU 23 -5.017 2.966 0.494 171 1HB GLU 23 2HB GLU 23 -6.918 2.707 -0.932 172 2HB GLU 23 3HB GLU 23 -6.816 1.289 0.136 173 1HG GLU 23 2HG GLU 23 -9.040 1.722 0.024 174 2HG GLU 23 3HG GLU 23 -8.506 2.402 1.585 175 H SER 24 H SER 24 -7.684 4.166 2.507 176 HA SER 24 HA SER 24 -7.731 6.808 1.594 177 1HB SER 24 2HB SER 24 -9.351 5.879 3.151 178 2HB SER 24 3HB SER 24 -8.118 5.700 4.407 179 HG SER 24 HG SER 24 -9.344 7.559 4.716 180 H SER 25 H SER 25 -5.756 5.451 4.309 181 HA SER 25 HA SER 25 -4.463 7.848 4.997 182 1HB SER 25 2HB SER 25 -4.476 5.803 6.378 183 2HB SER 25 3HB SER 25 -3.334 5.048 5.236 184 HG SER 25 HG SER 25 -2.250 6.060 6.990 185 H LEU 26 H LEU 26 -3.501 5.383 2.531 186 HA LEU 26 HA LEU 26 -1.057 6.821 2.018 187 1HB LEU 26 2HB LEU 26 -2.218 4.792 0.170 188 2HB LEU 26 3HB LEU 26 -0.546 5.430 0.321 189 HG LEU 26 HG LEU 26 -1.948 3.824 2.505 190 1HD1 LEU 26 1HD1 LEU 26 -0.351 2.073 1.790 191 2HD1 LEU 26 2HD1 LEU 26 -1.626 2.436 0.637 192 3HD1 LEU 26 3HD1 LEU 26 0.014 3.055 0.348 193 1HD2 LEU 26 1HD2 LEU 26 -0.303 5.325 3.450 194 2HD2 LEU 26 2HD2 LEU 26 0.324 3.676 3.453 195 3HD2 LEU 26 3HD2 LEU 26 0.904 4.835 2.233 196 H THR 27 H THR 27 -4.133 6.560 0.119 197 HA THR 27 HA THR 27 -3.441 8.371 -1.898 198 HB THR 27 HB THR 27 -6.027 7.743 -0.484 199 HG1 THR 27 1HG THR 27 -4.794 6.860 -2.874 200 1HG2 THR 27 1HG2 THR 27 -6.412 9.865 -1.654 201 2HG2 THR 27 2HG2 THR 27 -5.646 9.221 -3.129 202 3HG2 THR 27 3HG2 THR 27 -7.184 8.543 -2.542 203 H LYS 28 H LYS 28 -4.386 9.101 1.467 204 HA LYS 28 HA LYS 28 -4.786 11.861 1.271 205 1HB LYS 28 2HB LYS 28 -3.399 10.298 3.456 206 2HB LYS 28 3HB LYS 28 -3.879 11.948 3.632 207 1HG LYS 28 2HG LYS 28 -5.969 10.041 2.670 208 2HG LYS 28 3HG LYS 28 -5.416 9.799 4.337 209 1HD LYS 28 2HD LYS 28 -6.037 12.207 4.780 210 2HD LYS 28 3HD LYS 28 -6.596 12.350 3.110 211 1HE LYS 28 2HE LYS 28 -7.762 10.607 5.342 212 2HE LYS 28 3HE LYS 28 -8.516 11.984 4.528 213 1HZ LYS 28 1HZ LYS 28 -8.144 9.244 3.526 214 2HZ LYS 28 2HZ LYS 28 -9.475 10.163 3.554 215 3HZ LYS 28 3HZ LYS 28 -8.304 10.501 2.455 216 H HIS 29 H HIS 29 -1.657 10.172 1.081 217 HA HIS 29 HA HIS 29 0.052 12.401 1.552 218 1HB HIS 29 2HB HIS 29 0.346 10.136 -0.431 219 2HB HIS 29 3HB HIS 29 1.658 11.173 0.086 220 HD1 HIS 29 1HD HIS 29 1.834 10.955 3.121 221 HD2 HIS 29 2HD HIS 29 0.504 7.850 0.651 222 HE1 HIS 29 1HE HIS 29 2.180 8.733 4.391 223 H ARG 30 H ARG 30 -2.052 11.602 -1.170 224 HA ARG 30 HA ARG 30 -2.609 12.629 -3.054 225 1HB ARG 30 2HB ARG 30 -2.227 14.751 -1.520 226 2HB ARG 30 3HB ARG 30 -0.784 14.970 -2.527 227 1HG ARG 30 2HG ARG 30 -2.574 14.679 -4.518 228 2HG ARG 30 3HG ARG 30 -3.706 15.169 -3.255 229 1HD ARG 30 2HD ARG 30 -1.240 16.620 -4.278 230 2HD ARG 30 3HD ARG 30 -2.933 17.140 -4.468 231 HE ARG 30 HE ARG 30 -2.543 16.948 -1.721 232 1HH1 ARG 30 2HH2 ARG 30 -1.083 18.787 -4.342 233 2HH1 ARG 30 1HH2 ARG 30 -0.487 20.078 -3.345 234 1HH2 ARG 30 2HH1 ARG 30 -1.767 18.638 -0.340 235 2HH2 ARG 30 1HH1 ARG 30 -0.918 19.996 -1.004 236 H GLY 31 H GLY 31 0.429 11.553 -2.376 237 1HA GLY 31 2HA GLY 31 1.762 12.172 -4.923 238 2HA GLY 31 1HA GLY 31 2.315 11.184 -3.538 239 H ILE 32 H ILE 32 0.317 9.416 -3.196 240 HA ILE 32 HA ILE 32 0.930 7.475 -5.218 241 HB ILE 32 HB ILE 32 -0.869 7.614 -2.790 242 1HG1 ILE 32 2HG1 ILE 32 0.577 5.784 -1.951 243 2HG1 ILE 32 3HG1 ILE 32 1.655 6.024 -3.341 244 1HG2 ILE 32 1HG2 ILE 32 -2.086 6.086 -4.228 245 2HG2 ILE 32 2HG2 ILE 32 -0.574 5.287 -4.721 246 3HG2 ILE 32 3HG2 ILE 32 -1.186 5.104 -3.066 247 1HD1 ILE 32 1HD1 ILE 32 0.803 8.262 -1.474 248 2HD1 ILE 32 2HD1 ILE 32 2.160 7.194 -1.086 249 3HD1 ILE 32 3HD1 ILE 32 2.230 8.232 -2.535 250 H LEU 33 H LEU 33 -0.170 7.015 -7.062 251 HA LEU 33 HA LEU 33 -2.378 8.802 -7.850 252 1HB LEU 33 2HB LEU 33 -0.957 6.576 -9.395 253 2HB LEU 33 3HB LEU 33 -2.099 7.753 -10.037 254 HG LEU 33 HG LEU 33 -0.059 8.509 -10.767 255 1HD1 LEU 33 1HD1 LEU 33 -1.415 10.316 -9.733 256 2HD1 LEU 33 2HD1 LEU 33 -0.473 10.145 -8.233 257 3HD1 LEU 33 3HD1 LEU 33 0.326 10.661 -9.725 258 1HD2 LEU 33 1HD2 LEU 33 1.987 8.751 -9.546 259 2HD2 LEU 33 2HD2 LEU 33 1.231 8.262 -8.032 260 3HD2 LEU 33 3HD2 LEU 33 1.402 7.090 -9.360 261 H TYR 34 H TYR 34 -1.880 5.350 -7.105 262 HA TYR 34 HA TYR 34 -4.736 5.162 -6.675 263 1HB TYR 34 2HB TYR 34 -4.348 4.700 -9.197 264 2HB TYR 34 3HB TYR 34 -3.462 3.257 -8.692 265 HD1 TYR 34 HD1 TYR 34 -4.715 1.267 -8.754 266 HD2 TYR 34 HD2 TYR 34 -6.711 4.991 -7.883 267 HE1 TYR 34 HE1 TYR 34 -6.766 0.047 -8.172 268 HE2 TYR 34 HE2 TYR 34 -8.641 3.760 -7.009 269 HH TYR 34 HH TYR 34 -8.550 0.223 -6.619 270 H CYS 35 H CYS 35 -5.320 3.160 -5.544 271 HA CYS 35 HA CYS 35 -3.063 1.836 -4.157 272 1HB CYS 35 2HB CYS 35 -3.253 4.133 -3.225 273 2HB CYS 35 3HB CYS 35 -4.913 3.781 -2.708 274 HG CYS 35 HG CYS 35 -4.417 1.956 -1.113 275 H SER 36 H SER 36 -4.381 0.140 -5.319 276 HA SER 36 HA SER 36 -6.987 -0.539 -4.102 277 1HB SER 36 2HB SER 36 -5.572 -1.366 -6.555 278 2HB SER 36 3HB SER 36 -6.312 -2.708 -5.677 279 HG SER 36 HG SER 36 -7.868 -1.921 -6.974 280 H VAL 37 H VAL 37 -6.619 -1.152 -1.953 281 HA VAL 37 HA VAL 37 -4.664 -3.301 -1.508 282 HB VAL 37 HB VAL 37 -4.882 -1.240 -0.033 283 1HG1 VAL 37 1HG1 VAL 37 -6.253 -1.380 1.882 284 2HG1 VAL 37 2HG1 VAL 37 -7.355 -1.591 0.507 285 3HG1 VAL 37 3HG1 VAL 37 -6.814 -3.000 1.473 286 1HG2 VAL 37 1HG2 VAL 37 -4.595 -4.073 1.007 287 2HG2 VAL 37 2HG2 VAL 37 -3.336 -3.053 0.323 288 3HG2 VAL 37 3HG2 VAL 37 -4.055 -2.606 1.861 289 H ALA 38 H ALA 38 -5.273 -5.083 -2.370 290 HA ALA 38 HA ALA 38 -8.100 -5.920 -2.431 291 1HB ALA 38 1HB ALA 38 -6.847 -6.025 -4.488 292 2HB ALA 38 2HB ALA 38 -5.578 -7.000 -3.729 293 3HB ALA 38 3HB ALA 38 -7.209 -7.678 -3.948 294 H LEU 39 H LEU 39 -8.566 -6.531 -0.357 295 HA LEU 39 HA LEU 39 -7.156 -7.996 1.473 296 1HB LEU 39 2HB LEU 39 -9.303 -6.849 1.866 297 2HB LEU 39 3HB LEU 39 -10.134 -8.033 0.855 298 HG LEU 39 HG LEU 39 -9.547 -9.824 2.465 299 1HD1 LEU 39 1HD1 LEU 39 -8.470 -7.554 4.193 300 2HD1 LEU 39 2HD1 LEU 39 -8.764 -9.212 4.745 301 3HD1 LEU 39 3HD1 LEU 39 -7.529 -8.905 3.523 302 1HD2 LEU 39 1HD2 LEU 39 -11.020 -7.477 3.713 303 2HD2 LEU 39 2HD2 LEU 39 -11.713 -8.672 2.597 304 3HD2 LEU 39 3HD2 LEU 39 -11.144 -9.179 4.197 305 H ALA 40 H ALA 40 -8.983 -9.280 -1.291 306 HA ALA 40 HA ALA 40 -9.139 -11.980 -0.512 307 1HB ALA 40 1HB ALA 40 -10.342 -11.050 -2.445 308 2HB ALA 40 2HB ALA 40 -8.809 -10.817 -3.316 309 3HB ALA 40 3HB ALA 40 -9.373 -12.456 -2.926 310 H THR 41 H THR 41 -6.571 -10.314 -2.396 311 HA THR 41 HA THR 41 -4.728 -12.584 -2.281 312 HB THR 41 HB THR 41 -3.263 -10.668 -3.288 313 HG1 THR 41 1HG THR 41 -4.968 -9.047 -2.590 314 1HG2 THR 41 1HG2 THR 41 -5.771 -11.658 -4.719 315 2HG2 THR 41 2HG2 THR 41 -4.334 -10.975 -5.504 316 3HG2 THR 41 3HG2 THR 41 -4.214 -12.510 -4.623 317 H ASN 42 H ASN 42 -5.550 -9.779 -0.396 318 HA ASN 42 HA ASN 42 -4.710 -8.684 1.300 319 1HB ASN 42 2HB ASN 42 -4.390 -11.276 2.086 320 2HB ASN 42 3HB ASN 42 -2.734 -10.714 2.232 321 1HD2 ASN 42 1HD2 ASN 42 -5.723 -10.968 3.792 322 2HD2 ASN 42 2HD2 ASN 42 -5.500 -9.761 5.043 323 H LYS 43 H LYS 43 -3.974 -7.759 -0.866 324 HA LYS 43 HA LYS 43 -1.049 -7.239 -0.778 325 1HB LYS 43 2HB LYS 43 -1.006 -8.786 -2.465 326 2HB LYS 43 3HB LYS 43 -2.655 -8.467 -2.980 327 1HG LYS 43 2HG LYS 43 -0.588 -6.334 -3.520 328 2HG LYS 43 3HG LYS 43 -0.571 -7.789 -4.476 329 1HD LYS 43 2HD LYS 43 -3.193 -6.291 -4.070 330 2HD LYS 43 3HD LYS 43 -2.018 -5.723 -5.250 331 1HE LYS 43 2HE LYS 43 -3.133 -8.571 -5.207 332 2HE LYS 43 3HE LYS 43 -3.869 -7.248 -6.105 333 1HZ LYS 43 1HZ LYS 43 -1.125 -8.234 -6.532 334 2HZ LYS 43 2HZ LYS 43 -2.413 -8.456 -7.537 335 3HZ LYS 43 3HZ LYS 43 -1.790 -6.954 -7.288 336 H ALA 44 H ALA 44 -0.475 -5.199 -1.409 337 HA ALA 44 HA ALA 44 -2.659 -3.229 -1.949 338 1HB ALA 44 1HB ALA 44 -1.097 -3.030 0.186 339 2HB ALA 44 2HB ALA 44 0.045 -2.380 -0.999 340 3HB ALA 44 3HB ALA 44 -1.540 -1.625 -0.788 341 H HIS 45 H HIS 45 -2.845 -2.878 -4.030 342 HA HIS 45 HA HIS 45 -0.503 -2.775 -5.836 343 1HB HIS 45 2HB HIS 45 -2.698 -3.904 -6.458 344 2HB HIS 45 3HB HIS 45 -3.479 -2.335 -6.321 345 HD1 HIS 45 1HD HIS 45 -2.132 -4.487 -8.838 346 HD2 HIS 45 2HD HIS 45 -1.510 -0.543 -7.902 347 HE1 HIS 45 1HE HIS 45 -1.497 -3.364 -11.045 348 H ILE 46 H ILE 46 0.575 -0.964 -4.916 349 HA ILE 46 HA ILE 46 -0.917 1.616 -4.956 350 HB ILE 46 HB ILE 46 1.674 0.773 -3.667 351 1HG1 ILE 46 2HG1 ILE 46 0.706 2.118 -1.807 352 2HG1 ILE 46 3HG1 ILE 46 -0.720 2.456 -2.783 353 1HG2 ILE 46 1HG2 ILE 46 2.054 3.245 -3.250 354 2HG2 ILE 46 2HG2 ILE 46 2.371 2.735 -4.908 355 3HG2 ILE 46 3HG2 ILE 46 0.864 3.583 -4.508 356 1HD1 ILE 46 1HD1 ILE 46 -0.906 0.600 -1.054 357 2HD1 ILE 46 2HD1 ILE 46 -1.373 0.113 -2.691 358 3HD1 ILE 46 3HD1 ILE 46 0.229 -0.340 -2.047 359 H LYS 47 H LYS 47 -0.787 2.808 -6.700 360 HA LYS 47 HA LYS 47 1.468 2.460 -8.613 361 1HB LYS 47 2HB LYS 47 -1.293 3.640 -8.835 362 2HB LYS 47 3HB LYS 47 -0.022 4.147 -9.943 363 1HG LYS 47 2HG LYS 47 -0.608 1.189 -9.524 364 2HG LYS 47 3HG LYS 47 -1.574 2.170 -10.640 365 1HD LYS 47 2HD LYS 47 0.488 2.897 -11.835 366 2HD LYS 47 3HD LYS 47 1.473 1.876 -10.777 367 1HE LYS 47 2HE LYS 47 0.295 -0.136 -11.592 368 2HE LYS 47 3HE LYS 47 -0.741 0.868 -12.624 369 1HZ LYS 47 1HZ LYS 47 2.212 0.777 -12.870 370 2HZ LYS 47 2HZ LYS 47 1.166 -0.061 -13.845 371 3HZ LYS 47 3HZ LYS 47 1.271 1.589 -13.822 372 H TYR 48 H TYR 48 3.137 3.755 -7.946 373 HA TYR 48 HA TYR 48 2.523 6.527 -7.018 374 1HB TYR 48 2HB TYR 48 4.112 6.492 -5.354 375 2HB TYR 48 3HB TYR 48 3.253 4.985 -5.102 376 HD1 TYR 48 HD1 TYR 48 4.380 2.857 -6.339 377 HD2 TYR 48 HD2 TYR 48 6.468 6.501 -5.394 378 HE1 TYR 48 HE1 TYR 48 6.568 1.774 -6.838 379 HE2 TYR 48 HE2 TYR 48 8.598 5.285 -5.408 380 HH TYR 48 HH TYR 48 9.674 3.356 -6.120 381 H ASP 49 H ASP 49 4.248 8.093 -7.616 382 HA ASP 49 HA ASP 49 5.788 7.249 -9.959 383 1HB ASP 49 2HB ASP 49 6.080 9.702 -10.219 384 2HB ASP 49 3HB ASP 49 4.428 9.099 -10.371 385 HA PRO 50 HA PRO 50 9.072 7.002 -6.819 386 1HB PRO 50 2HB PRO 50 11.013 5.772 -8.291 387 2HB PRO 50 3HB PRO 50 9.526 4.929 -7.793 388 1HG PRO 50 2HG PRO 50 10.042 6.264 -10.453 389 2HG PRO 50 3HG PRO 50 9.440 4.602 -10.153 390 1HD PRO 50 2HD PRO 50 7.760 6.655 -10.683 391 2HD PRO 50 3HD PRO 50 7.319 5.397 -9.482 392 H GLU 51 H GLU 51 8.814 9.368 -7.099 393 HA GLU 51 HA GLU 51 11.369 10.657 -7.649 394 1HB GLU 51 2HB GLU 51 10.255 12.302 -9.287 395 2HB GLU 51 3HB GLU 51 10.736 10.710 -9.880 396 1HG GLU 51 2HG GLU 51 8.379 9.913 -9.656 397 2HG GLU 51 3HG GLU 51 7.890 11.552 -9.209 398 H ILE 52 H ILE 52 7.848 11.102 -6.952 399 HA ILE 52 HA ILE 52 8.535 13.358 -5.141 400 HB ILE 52 HB ILE 52 6.254 13.877 -5.078 401 1HG1 ILE 52 2HG1 ILE 52 4.699 12.375 -6.631 402 2HG1 ILE 52 3HG1 ILE 52 5.834 11.108 -6.132 403 1HG2 ILE 52 1HG2 ILE 52 5.777 14.368 -7.372 404 2HG2 ILE 52 2HG2 ILE 52 7.534 14.498 -7.136 405 3HG2 ILE 52 3HG2 ILE 52 6.836 13.069 -7.934 406 1HD1 ILE 52 1HD1 ILE 52 3.930 12.807 -4.520 407 2HD1 ILE 52 2HD1 ILE 52 4.157 11.029 -4.561 408 3HD1 ILE 52 3HD1 ILE 52 5.299 12.079 -3.693 409 H ILE 53 H ILE 53 7.494 9.960 -4.986 410 HA ILE 53 HA ILE 53 8.014 10.110 -2.083 411 HB ILE 53 HB ILE 53 5.397 10.070 -2.771 412 1HG1 ILE 53 2HG1 ILE 53 6.536 8.216 -0.676 413 2HG1 ILE 53 3HG1 ILE 53 6.404 9.991 -0.568 414 1HG2 ILE 53 1HG2 ILE 53 6.028 7.135 -3.044 415 2HG2 ILE 53 2HG2 ILE 53 4.456 7.947 -3.121 416 3HG2 ILE 53 3HG2 ILE 53 5.644 8.282 -4.378 417 1HD1 ILE 53 1HD1 ILE 53 4.119 8.074 -0.838 418 2HD1 ILE 53 2HD1 ILE 53 4.513 9.101 0.553 419 3HD1 ILE 53 3HD1 ILE 53 3.976 9.853 -0.971 420 H GLY 54 H GLY 54 8.892 8.153 -1.193 421 1HA GLY 54 2HA GLY 54 10.100 6.373 -3.237 422 2HA GLY 54 1HA GLY 54 10.573 6.547 -1.547 423 HA PRO 55 HA PRO 55 7.331 3.097 -2.154 424 1HB PRO 55 2HB PRO 55 8.874 0.833 -2.317 425 2HB PRO 55 3HB PRO 55 8.388 1.803 -3.732 426 1HG PRO 55 2HG PRO 55 11.028 1.870 -2.266 427 2HG PRO 55 3HG PRO 55 10.735 1.871 -4.029 428 1HD PRO 55 2HD PRO 55 11.249 4.168 -2.590 429 2HD PRO 55 3HD PRO 55 10.206 4.151 -4.037 430 H ARG 56 H ARG 56 10.464 3.060 -0.405 431 HA ARG 56 HA ARG 56 9.632 1.378 1.689 432 1HB ARG 56 2HB ARG 56 12.019 1.979 1.201 433 2HB ARG 56 3HB ARG 56 11.692 3.605 1.826 434 1HG ARG 56 2HG ARG 56 12.758 2.354 3.580 435 2HG ARG 56 3HG ARG 56 11.075 2.576 4.030 436 1HD ARG 56 2HD ARG 56 10.733 0.146 2.983 437 2HD ARG 56 3HD ARG 56 12.480 0.073 3.065 438 HE ARG 56 HE ARG 56 12.357 -0.165 5.358 439 1HH1 ARG 56 2HH2 ARG 56 9.159 1.247 4.448 440 2HH1 ARG 56 1HH2 ARG 56 8.373 0.279 5.710 441 1HH2 ARG 56 2HH1 ARG 56 11.112 -1.224 7.098 442 2HH2 ARG 56 1HH1 ARG 56 9.376 -0.939 7.104 443 H ASP 57 H ASP 57 9.313 4.861 1.292 444 HA ASP 57 HA ASP 57 8.281 5.658 3.695 445 1HB ASP 57 2HB ASP 57 7.048 6.746 1.162 446 2HB ASP 57 3HB ASP 57 7.614 7.597 2.584 447 H ILE 58 H ILE 58 6.461 4.593 0.787 448 HA ILE 58 HA ILE 58 3.867 4.549 1.958 449 HB ILE 58 HB ILE 58 5.084 2.953 -0.343 450 1HG1 ILE 58 2HG1 ILE 58 2.849 4.903 -0.670 451 2HG1 ILE 58 3HG1 ILE 58 4.392 5.627 -0.193 452 1HG2 ILE 58 1HG2 ILE 58 2.248 2.921 0.691 453 2HG2 ILE 58 2HG2 ILE 58 2.728 2.420 -0.947 454 3HG2 ILE 58 3HG2 ILE 58 3.342 1.539 0.449 455 1HD1 ILE 58 1HD1 ILE 58 4.119 3.745 -2.560 456 2HD1 ILE 58 2HD1 ILE 58 4.099 5.518 -2.658 457 3HD1 ILE 58 3HD1 ILE 58 5.543 4.674 -2.069 458 H ILE 59 H ILE 59 6.319 1.964 1.644 459 HA ILE 59 HA ILE 59 4.818 -0.027 2.982 460 HB ILE 59 HB ILE 59 7.819 0.291 2.805 461 1HG1 ILE 59 2HG1 ILE 59 6.036 -1.594 1.219 462 2HG1 ILE 59 3HG1 ILE 59 6.297 0.051 0.658 463 1HG2 ILE 59 1HG2 ILE 59 7.180 -1.302 4.640 464 2HG2 ILE 59 2HG2 ILE 59 6.162 -2.183 3.499 465 3HG2 ILE 59 3HG2 ILE 59 7.922 -2.143 3.287 466 1HD1 ILE 59 1HD1 ILE 59 7.865 -1.348 -0.446 467 2HD1 ILE 59 2HD1 ILE 59 8.752 -0.332 0.686 468 3HD1 ILE 59 3HD1 ILE 59 8.453 -2.039 1.081 469 H HIS 60 H HIS 60 7.070 2.398 4.415 470 HA HIS 60 HA HIS 60 6.913 1.627 7.154 471 1HB HIS 60 2HB HIS 60 7.303 4.325 5.822 472 2HB HIS 60 3HB HIS 60 7.232 4.106 7.563 473 HD1 HIS 60 1HD HIS 60 9.806 4.755 5.364 474 HD2 HIS 60 2HD HIS 60 9.080 1.789 8.257 475 HE1 HIS 60 1HE HIS 60 12.091 3.920 6.150 476 H THR 61 H THR 61 4.891 3.750 5.129 477 HA THR 61 HA THR 61 3.218 4.554 7.302 478 HB THR 61 HB THR 61 2.458 4.470 4.355 479 HG1 THR 61 1HG THR 61 4.434 5.561 4.652 480 1HG2 THR 61 1HG2 THR 61 1.600 6.239 6.698 481 2HG2 THR 61 2HG2 THR 61 1.101 6.449 5.012 482 3HG2 THR 61 3HG2 THR 61 0.601 5.003 5.903 483 H ILE 62 H ILE 62 2.841 1.953 4.852 484 HA ILE 62 HA ILE 62 0.376 0.899 5.767 485 HB ILE 62 HB ILE 62 2.709 -0.428 4.357 486 1HG1 ILE 62 2HG1 ILE 62 -0.027 0.483 3.384 487 2HG1 ILE 62 3HG1 ILE 62 1.425 1.483 3.254 488 1HG2 ILE 62 1HG2 ILE 62 -0.103 -1.506 4.871 489 2HG2 ILE 62 2HG2 ILE 62 1.080 -2.233 3.769 490 3HG2 ILE 62 3HG2 ILE 62 1.412 -2.197 5.490 491 1HD1 ILE 62 1HD1 ILE 62 2.510 -0.401 1.979 492 2HD1 ILE 62 2HD1 ILE 62 0.882 -1.131 1.854 493 3HD1 ILE 62 3HD1 ILE 62 1.195 0.450 1.140 494 H GLU 63 H GLU 63 3.703 -0.341 6.574 495 HA GLU 63 HA GLU 63 2.674 -2.257 8.334 496 1HB GLU 63 2HB GLU 63 4.939 -2.543 9.206 497 2HB GLU 63 3HB GLU 63 4.911 -2.423 7.445 498 1HG GLU 63 2HG GLU 63 5.489 0.044 7.762 499 2HG GLU 63 3HG GLU 63 5.884 -0.349 9.438 500 H SER 64 H SER 64 3.867 1.027 9.010 501 HA SER 64 HA SER 64 3.432 1.167 11.751 502 1HB SER 64 2HB SER 64 4.595 2.865 10.444 503 2HB SER 64 3HB SER 64 3.089 3.360 9.662 504 HG SER 64 HG SER 64 2.371 3.792 11.934 505 H LEU 65 H LEU 65 0.888 1.752 9.139 506 HA LEU 65 HA LEU 65 -1.024 2.648 10.988 507 1HB LEU 65 2HB LEU 65 -1.272 1.222 8.337 508 2HB LEU 65 3HB LEU 65 -2.688 1.819 9.203 509 HG LEU 65 HG LEU 65 -0.385 3.724 8.729 510 1HD1 LEU 65 1HD1 LEU 65 -2.536 2.934 6.728 511 2HD1 LEU 65 2HD1 LEU 65 -1.401 4.292 6.541 512 3HD1 LEU 65 3HD1 LEU 65 -0.784 2.634 6.610 513 1HD2 LEU 65 1HD2 LEU 65 -2.085 5.401 8.827 514 2HD2 LEU 65 2HD2 LEU 65 -3.387 4.194 8.767 515 3HD2 LEU 65 3HD2 LEU 65 -2.340 4.329 10.200 516 H GLY 66 H GLY 66 -0.600 -0.775 9.836 517 1HA GLY 66 2HA GLY 66 -1.534 -1.670 12.444 518 2HA GLY 66 1HA GLY 66 -2.760 -1.918 11.196 519 H PHE 67 H PHE 67 0.620 -2.319 10.155 520 HA PHE 67 HA PHE 67 -0.194 -5.175 9.697 521 1HB PHE 67 2HB PHE 67 0.520 -3.121 7.579 522 2HB PHE 67 3HB PHE 67 -0.024 -4.772 7.302 523 HD1 PHE 67 1HD PHE 67 -2.332 -5.330 8.605 524 HD2 PHE 67 2HD PHE 67 -1.147 -1.435 7.236 525 HE1 PHE 67 1HE PHE 67 -4.563 -4.444 9.206 526 HE2 PHE 67 2HE PHE 67 -3.351 -0.531 7.885 527 HZ PHE 67 HZ PHE 67 -5.071 -2.028 8.840 528 H GLU 68 H GLU 68 1.369 -6.266 8.191 529 HA GLU 68 HA GLU 68 4.133 -5.179 8.317 530 1HB GLU 68 2HB GLU 68 4.125 -7.207 9.721 531 2HB GLU 68 3HB GLU 68 3.346 -8.120 8.428 532 1HG GLU 68 2HG GLU 68 5.380 -7.733 6.980 533 2HG GLU 68 3HG GLU 68 6.129 -6.895 8.352 534 H ALA 69 H ALA 69 5.167 -5.448 6.189 535 HA ALA 69 HA ALA 69 3.486 -6.429 4.017 536 1HB ALA 69 1HB ALA 69 2.661 -4.136 4.208 537 2HB ALA 69 2HB ALA 69 4.318 -3.501 4.299 538 3HB ALA 69 3HB ALA 69 3.725 -4.212 2.788 539 H SER 70 H SER 70 4.565 -6.566 1.991 540 HA SER 70 HA SER 70 7.526 -6.466 2.010 541 1HB SER 70 2HB SER 70 6.625 -8.703 2.926 542 2HB SER 70 3HB SER 70 5.965 -8.988 1.310 543 HG SER 70 HG SER 70 8.085 -9.852 1.541 544 H LEU 71 H LEU 71 7.991 -5.411 0.118 545 HA LEU 71 HA LEU 71 6.064 -5.180 -2.017 546 1HB LEU 71 2HB LEU 71 7.551 -3.807 -3.128 547 2HB LEU 71 3HB LEU 71 7.633 -3.386 -1.418 548 HG LEU 71 HG LEU 71 9.702 -4.980 -3.011 549 1HD1 LEU 71 1HD1 LEU 71 9.773 -2.154 -1.874 550 2HD1 LEU 71 2HD1 LEU 71 11.081 -2.967 -2.757 551 3HD1 LEU 71 3HD1 LEU 71 9.564 -2.579 -3.585 552 1HD2 LEU 71 1HD2 LEU 71 9.843 -5.742 -0.699 553 2HD2 LEU 71 2HD2 LEU 71 11.167 -4.619 -0.998 554 3HD2 LEU 71 3HD2 LEU 71 9.742 -4.065 -0.097 555 H VAL 72 H VAL 72 5.811 -6.190 -3.873 556 HA VAL 72 HA VAL 72 7.695 -8.422 -4.519 557 HB VAL 72 HB VAL 72 5.842 -9.773 -5.180 558 1HG1 VAL 72 1HG1 VAL 72 5.297 -8.731 -2.404 559 2HG1 VAL 72 2HG1 VAL 72 5.013 -10.363 -3.047 560 3HG1 VAL 72 3HG1 VAL 72 6.667 -9.779 -2.830 561 1HG2 VAL 72 1HG2 VAL 72 3.518 -9.252 -4.731 562 2HG2 VAL 72 2HG2 VAL 72 3.941 -7.614 -4.221 563 3HG2 VAL 72 3HG2 VAL 72 4.177 -8.122 -5.914 564 H LYS 73 H LYS 73 5.430 -5.958 -5.821 565 HA LYS 73 HA LYS 73 5.303 -4.983 -7.895 566 1HB LYS 73 2HB LYS 73 7.362 -4.029 -7.361 567 2HB LYS 73 3HB LYS 73 8.276 -5.484 -7.570 568 1HG LYS 73 2HG LYS 73 7.166 -4.861 -10.171 569 2HG LYS 73 3HG LYS 73 7.707 -3.374 -9.427 570 1HD LYS 73 2HD LYS 73 9.578 -4.157 -10.580 571 2HD LYS 73 3HD LYS 73 9.938 -4.511 -8.898 572 1HE LYS 73 2HE LYS 73 8.965 -6.487 -11.039 573 2HE LYS 73 3HE LYS 73 10.624 -6.325 -10.461 574 1HZ LYS 73 1HZ LYS 73 9.553 -8.194 -9.471 575 2HZ LYS 73 2HZ LYS 73 9.808 -7.109 -8.262 576 3HZ LYS 73 3HZ LYS 73 8.321 -7.311 -8.917 577 H ILE 74 H ILE 74 3.993 -7.038 -8.105 578 HA ILE 74 HA ILE 74 3.255 -8.866 -9.136 579 HB ILE 74 HB ILE 74 5.339 -8.307 -11.298 580 1HG1 ILE 74 2HG1 ILE 74 3.319 -7.750 -12.633 581 2HG1 ILE 74 3HG1 ILE 74 2.314 -7.877 -11.188 582 1HG2 ILE 74 1HG2 ILE 74 4.058 -9.934 -12.634 583 2HG2 ILE 74 2HG2 ILE 74 4.832 -10.701 -11.250 584 3HG2 ILE 74 3HG2 ILE 74 3.091 -10.348 -11.204 585 1HD1 ILE 74 1HD1 ILE 74 2.955 -5.543 -11.953 586 2HD1 ILE 74 2HD1 ILE 74 3.320 -5.870 -10.263 587 3HD1 ILE 74 3HD1 ILE 74 4.625 -5.904 -11.480 588 H GLU 75 H GLU 75 6.701 -9.119 -9.792 589 HA GLU 75 HA GLU 75 8.010 -9.967 -7.808 590 1HB GLU 75 2HB GLU 75 6.443 -11.751 -7.142 591 2HB GLU 75 3HB GLU 75 6.800 -12.622 -8.652 592 1HG GLU 75 2HG GLU 75 9.078 -12.971 -7.924 593 2HG GLU 75 3HG GLU 75 8.940 -11.745 -6.654 Start of MODEL 9 1 1H MET 1 H1 MET 1 7.849 7.110 -18.109 2 2H MET 1 H2 MET 1 7.756 6.731 -19.739 3 3H MET 1 H3 MET 1 6.717 6.061 -18.621 4 HA MET 1 HA MET 1 8.227 4.359 -18.821 5 1HB MET 1 2HB MET 1 10.323 6.586 -18.870 6 2HB MET 1 3HB MET 1 10.708 4.869 -18.697 7 1HG MET 1 2HG MET 1 9.674 4.374 -20.871 8 2HG MET 1 3HG MET 1 9.297 6.092 -21.100 9 1HE MET 1 1HE MET 1 10.452 6.017 -23.469 10 2HE MET 1 2HE MET 1 12.115 5.438 -23.726 11 3HE MET 1 3HE MET 1 10.847 4.295 -23.225 12 H GLY 2 H GLY 2 9.533 3.439 -16.913 13 1HA GLY 2 2HA GLY 2 10.070 3.413 -14.641 14 2HA GLY 2 1HA GLY 2 9.384 5.027 -14.415 15 H ASP 3 H ASP 3 8.838 1.710 -13.940 16 HA ASP 3 HA ASP 3 6.108 1.416 -14.269 17 1HB ASP 3 2HB ASP 3 7.894 0.150 -12.152 18 2HB ASP 3 3HB ASP 3 6.374 -0.494 -12.774 19 H GLY 4 H GLY 4 4.990 3.293 -13.553 20 1HA GLY 4 2HA GLY 4 5.111 4.131 -10.817 21 2HA GLY 4 1HA GLY 4 3.891 4.608 -12.011 22 H VAL 5 H VAL 5 4.860 1.564 -10.297 23 HA VAL 5 HA VAL 5 2.188 1.146 -9.253 24 HB VAL 5 HB VAL 5 1.805 0.354 -11.491 25 1HG1 VAL 5 1HG1 VAL 5 3.039 -1.535 -12.463 26 2HG1 VAL 5 2HG1 VAL 5 4.081 -0.121 -12.245 27 3HG1 VAL 5 3HG1 VAL 5 4.196 -1.494 -11.117 28 1HG2 VAL 5 1HG2 VAL 5 2.171 -2.065 -9.676 29 2HG2 VAL 5 2HG2 VAL 5 0.826 -0.907 -9.569 30 3HG2 VAL 5 3HG2 VAL 5 1.053 -1.882 -11.036 31 H LEU 6 H LEU 6 2.150 -0.258 -7.561 32 HA LEU 6 HA LEU 6 4.586 -1.676 -6.738 33 1HB LEU 6 2HB LEU 6 4.955 0.502 -5.904 34 2HB LEU 6 3HB LEU 6 3.300 0.704 -5.346 35 HG LEU 6 HG LEU 6 4.797 -1.553 -4.065 36 1HD1 LEU 6 1HD1 LEU 6 6.614 0.099 -4.315 37 2HD1 LEU 6 2HD1 LEU 6 5.585 1.355 -3.596 38 3HD1 LEU 6 3HD1 LEU 6 6.117 -0.033 -2.621 39 1HD2 LEU 6 1HD2 LEU 6 3.843 -0.461 -2.015 40 2HD2 LEU 6 2HD2 LEU 6 3.147 0.797 -3.040 41 3HD2 LEU 6 3HD2 LEU 6 2.603 -0.890 -3.205 42 H GLU 7 H GLU 7 3.812 -3.691 -6.301 43 HA GLU 7 HA GLU 7 1.238 -3.861 -4.822 44 1HB GLU 7 2HB GLU 7 2.564 -6.170 -6.226 45 2HB GLU 7 3HB GLU 7 1.054 -6.134 -5.304 46 1HG GLU 7 2HG GLU 7 0.467 -4.141 -7.019 47 2HG GLU 7 3HG GLU 7 1.764 -4.955 -7.903 48 H LEU 8 H LEU 8 1.454 -4.160 -2.758 49 HA LEU 8 HA LEU 8 3.776 -5.752 -1.764 50 1HB LEU 8 2HB LEU 8 1.805 -4.200 -0.077 51 2HB LEU 8 3HB LEU 8 3.335 -4.932 0.419 52 HG LEU 8 HG LEU 8 2.961 -2.524 -1.413 53 1HD1 LEU 8 1HD1 LEU 8 2.478 -2.211 1.012 54 2HD1 LEU 8 2HD1 LEU 8 4.155 -2.642 1.371 55 3HD1 LEU 8 3HD1 LEU 8 3.814 -1.206 0.394 56 1HD2 LEU 8 1HD2 LEU 8 5.002 -3.696 -2.099 57 2HD2 LEU 8 2HD2 LEU 8 5.445 -2.243 -1.201 58 3HD2 LEU 8 3HD2 LEU 8 5.531 -3.827 -0.403 59 H VAL 9 H VAL 9 3.180 -7.837 -0.971 60 HA VAL 9 HA VAL 9 0.304 -8.402 -0.540 61 HB VAL 9 HB VAL 9 2.843 -9.961 -0.041 62 1HG1 VAL 9 1HG1 VAL 9 1.462 -11.753 0.962 63 2HG1 VAL 9 2HG1 VAL 9 1.538 -10.328 1.997 64 3HG1 VAL 9 3HG1 VAL 9 0.078 -10.650 1.032 65 1HG2 VAL 9 1HG2 VAL 9 1.722 -10.054 -2.285 66 2HG2 VAL 9 2HG2 VAL 9 1.639 -11.621 -1.446 67 3HG2 VAL 9 3HG2 VAL 9 0.218 -10.568 -1.497 68 H VAL 10 H VAL 10 -0.613 -8.161 1.479 69 HA VAL 10 HA VAL 10 0.965 -6.829 3.619 70 HB VAL 10 HB VAL 10 -1.525 -5.726 3.888 71 1HG1 VAL 10 1HG1 VAL 10 -0.513 -3.660 3.045 72 2HG1 VAL 10 2HG1 VAL 10 0.580 -4.558 4.119 73 3HG1 VAL 10 3HG1 VAL 10 0.838 -4.594 2.356 74 1HG2 VAL 10 1HG2 VAL 10 -2.295 -4.833 1.794 75 2HG2 VAL 10 2HG2 VAL 10 -0.985 -5.605 0.889 76 3HG2 VAL 10 3HG2 VAL 10 -2.258 -6.595 1.636 77 H ARG 11 H ARG 11 0.616 -7.598 5.597 78 HA ARG 11 HA ARG 11 -1.542 -9.611 6.001 79 1HB ARG 11 2HB ARG 11 0.039 -11.019 7.223 80 2HB ARG 11 3HB ARG 11 0.500 -10.823 5.525 81 1HG ARG 11 2HG ARG 11 2.121 -9.008 6.277 82 2HG ARG 11 3HG ARG 11 1.731 -9.479 7.950 83 1HD ARG 11 2HD ARG 11 2.561 -11.761 7.477 84 2HD ARG 11 3HD ARG 11 2.927 -11.316 5.815 85 HE ARG 11 HE ARG 11 4.380 -10.474 8.286 86 1HH1 ARG 11 2HH2 ARG 11 4.028 -9.798 4.831 87 2HH1 ARG 11 1HH2 ARG 11 5.499 -8.846 4.794 88 1HH2 ARG 11 2HH1 ARG 11 6.174 -9.410 8.188 89 2HH2 ARG 11 1HH1 ARG 11 6.897 -8.783 6.704 90 H GLY 12 H GLY 12 -2.418 -9.606 8.017 91 1HA GLY 12 2HA GLY 12 -2.451 -8.839 10.354 92 2HA GLY 12 1HA GLY 12 -1.775 -7.294 9.827 93 H MET 13 H MET 13 -3.402 -7.323 7.301 94 HA MET 13 HA MET 13 -5.785 -6.013 8.162 95 1HB MET 13 2HB MET 13 -5.260 -7.473 5.551 96 2HB MET 13 3HB MET 13 -6.509 -6.247 5.835 97 1HG MET 13 2HG MET 13 -4.665 -4.579 6.278 98 2HG MET 13 3HG MET 13 -3.505 -5.808 5.757 99 1HE MET 13 1HE MET 13 -5.577 -7.116 3.337 100 2HE MET 13 2HE MET 13 -4.677 -6.363 2.014 101 3HE MET 13 3HE MET 13 -3.796 -7.057 3.396 102 H THR 14 H THR 14 -7.854 -6.827 8.538 103 HA THR 14 HA THR 14 -8.480 -9.635 7.840 104 HB THR 14 HB THR 14 -7.315 -9.788 9.993 105 HG1 THR 14 1HG THR 14 -10.096 -10.231 9.988 106 1HG2 THR 14 1HG2 THR 14 -9.471 -7.918 11.079 107 2HG2 THR 14 2HG2 THR 14 -8.267 -8.803 12.032 108 3HG2 THR 14 3HG2 THR 14 -7.739 -7.540 10.912 109 H CYS 15 H CYS 15 -9.544 -6.608 7.434 110 HA CYS 15 HA CYS 15 -12.312 -7.307 7.272 111 1HB CYS 15 2HB CYS 15 -12.286 -7.146 9.723 112 2HB CYS 15 3HB CYS 15 -11.401 -5.620 9.650 113 HG CYS 15 HG CYS 15 -14.420 -6.355 8.520 114 H ALA 16 H ALA 16 -13.507 -5.617 6.296 115 HA ALA 16 HA ALA 16 -12.494 -4.008 4.357 116 1HB ALA 16 1HB ALA 16 -14.870 -4.470 4.677 117 2HB ALA 16 2HB ALA 16 -14.897 -3.452 6.135 118 3HB ALA 16 3HB ALA 16 -14.588 -2.720 4.547 119 H SER 17 H SER 17 -13.030 -3.091 7.738 120 HA SER 17 HA SER 17 -12.315 -0.449 7.937 121 1HB SER 17 2HB SER 17 -11.468 -1.046 10.166 122 2HB SER 17 3HB SER 17 -13.048 -1.758 9.766 123 HG SER 17 HG SER 17 -11.648 -3.617 8.967 124 H CYS 18 H CYS 18 -9.855 -3.005 8.571 125 HA CYS 18 HA CYS 18 -7.544 -1.542 8.367 126 1HB CYS 18 2HB CYS 18 -8.027 -4.378 7.284 127 2HB CYS 18 3HB CYS 18 -6.452 -3.684 7.664 128 HG CYS 18 HG CYS 18 -6.890 -3.337 10.201 129 H VAL 19 H VAL 19 -9.351 -3.124 5.760 130 HA VAL 19 HA VAL 19 -7.593 -2.558 3.721 131 HB VAL 19 HB VAL 19 -10.445 -3.325 3.915 132 1HG1 VAL 19 1HG1 VAL 19 -10.755 -3.345 1.456 133 2HG1 VAL 19 2HG1 VAL 19 -10.848 -1.754 2.205 134 3HG1 VAL 19 3HG1 VAL 19 -9.380 -2.228 1.310 135 1HG2 VAL 19 1HG2 VAL 19 -8.153 -4.497 2.344 136 2HG2 VAL 19 2HG2 VAL 19 -8.651 -4.947 3.986 137 3HG2 VAL 19 3HG2 VAL 19 -9.752 -5.200 2.617 138 H HIS 20 H HIS 20 -10.616 -0.624 4.319 139 HA HIS 20 HA HIS 20 -9.672 1.367 2.485 140 1HB HIS 20 2HB HIS 20 -11.611 2.496 2.722 141 2HB HIS 20 3HB HIS 20 -12.084 0.827 3.067 142 HD1 HIS 20 1HD HIS 20 -13.047 4.025 4.260 143 HD2 HIS 20 2HD HIS 20 -11.741 0.473 6.019 144 HE1 HIS 20 1HE HIS 20 -13.926 4.022 6.678 145 H LYS 21 H LYS 21 -9.248 0.976 5.958 146 HA LYS 21 HA LYS 21 -8.391 3.566 6.666 147 1HB LYS 21 2HB LYS 21 -8.740 1.885 8.323 148 2HB LYS 21 3HB LYS 21 -7.535 0.813 7.593 149 1HG LYS 21 2HG LYS 21 -5.737 2.263 8.220 150 2HG LYS 21 3HG LYS 21 -6.869 3.479 8.873 151 1HD LYS 21 2HD LYS 21 -7.615 1.923 10.612 152 2HD LYS 21 3HD LYS 21 -6.807 0.576 9.820 153 1HE LYS 21 2HE LYS 21 -5.549 1.180 11.788 154 2HE LYS 21 3HE LYS 21 -4.591 1.473 10.338 155 1HZ LYS 21 1HZ LYS 21 -6.026 3.525 11.897 156 2HZ LYS 21 2HZ LYS 21 -4.406 3.247 11.914 157 3HZ LYS 21 3HZ LYS 21 -5.125 3.815 10.548 158 H ILE 22 H ILE 22 -6.498 0.842 5.164 159 HA ILE 22 HA ILE 22 -4.046 2.292 4.970 160 HB ILE 22 HB ILE 22 -5.190 0.133 3.171 161 1HG1 ILE 22 2HG1 ILE 22 -2.996 0.020 5.294 162 2HG1 ILE 22 3HG1 ILE 22 -4.674 -0.496 5.539 163 1HG2 ILE 22 1HG2 ILE 22 -2.840 -0.105 2.307 164 2HG2 ILE 22 2HG2 ILE 22 -3.558 1.425 1.858 165 3HG2 ILE 22 3HG2 ILE 22 -2.413 1.364 3.211 166 1HD1 ILE 22 1HD1 ILE 22 -4.453 -2.125 3.699 167 2HD1 ILE 22 2HD1 ILE 22 -2.697 -1.812 3.672 168 3HD1 ILE 22 3HD1 ILE 22 -3.462 -2.461 5.128 169 H GLU 23 H GLU 23 -6.519 1.816 2.401 170 HA GLU 23 HA GLU 23 -5.460 3.465 0.456 171 1HB GLU 23 2HB GLU 23 -8.362 2.906 1.191 172 2HB GLU 23 3HB GLU 23 -7.878 3.665 -0.328 173 1HG GLU 23 2HG GLU 23 -6.713 1.746 -1.073 174 2HG GLU 23 3HG GLU 23 -6.733 0.969 0.516 175 H SER 24 H SER 24 -7.999 4.437 2.732 176 HA SER 24 HA SER 24 -8.180 7.159 2.164 177 1HB SER 24 2HB SER 24 -9.723 5.841 3.618 178 2HB SER 24 3HB SER 24 -8.472 5.775 4.872 179 HG SER 24 HG SER 24 -9.653 8.140 3.812 180 H SER 25 H SER 25 -5.926 5.473 4.447 181 HA SER 25 HA SER 25 -4.761 7.905 5.394 182 1HB SER 25 2HB SER 25 -4.606 5.689 6.553 183 2HB SER 25 3HB SER 25 -3.450 5.166 5.316 184 HG SER 25 HG SER 25 -3.228 7.269 7.209 185 H LEU 26 H LEU 26 -3.378 5.518 2.982 186 HA LEU 26 HA LEU 26 -1.090 7.137 2.792 187 1HB LEU 26 2HB LEU 26 -1.770 5.509 0.379 188 2HB LEU 26 3HB LEU 26 -0.203 5.833 1.164 189 HG LEU 26 HG LEU 26 -2.382 3.988 2.180 190 1HD1 LEU 26 1HD1 LEU 26 -0.875 2.199 1.516 191 2HD1 LEU 26 2HD1 LEU 26 -1.321 3.210 0.135 192 3HD1 LEU 26 3HD1 LEU 26 0.278 3.399 0.886 193 1HD2 LEU 26 1HD2 LEU 26 -0.673 3.233 3.820 194 2HD2 LEU 26 2HD2 LEU 26 0.453 4.456 3.187 195 3HD2 LEU 26 3HD2 LEU 26 -1.025 4.954 4.042 196 H THR 27 H THR 27 -4.067 7.244 0.790 197 HA THR 27 HA THR 27 -3.235 8.904 -1.249 198 HB THR 27 HB THR 27 -5.810 8.896 0.344 199 HG1 THR 27 1HG THR 27 -4.966 7.608 -2.036 200 1HG2 THR 27 1HG2 THR 27 -5.232 10.032 -2.443 201 2HG2 THR 27 2HG2 THR 27 -6.851 9.787 -1.757 202 3HG2 THR 27 3HG2 THR 27 -5.754 10.967 -1.024 203 H LYS 28 H LYS 28 -3.584 9.811 2.192 204 HA LYS 28 HA LYS 28 -3.636 12.592 1.987 205 1HB LYS 28 2HB LYS 28 -2.903 12.690 4.180 206 2HB LYS 28 3HB LYS 28 -3.790 11.154 4.074 207 1HG LYS 28 2HG LYS 28 -1.400 10.116 3.668 208 2HG LYS 28 3HG LYS 28 -0.777 11.640 4.274 209 1HD LYS 28 2HD LYS 28 -2.565 9.667 5.777 210 2HD LYS 28 3HD LYS 28 -0.840 9.916 5.981 211 1HE LYS 28 2HE LYS 28 -1.778 11.070 7.788 212 2HE LYS 28 3HE LYS 28 -1.340 12.341 6.640 213 1HZ LYS 28 1HZ LYS 28 -3.669 12.386 5.965 214 2HZ LYS 28 2HZ LYS 28 -4.039 11.199 7.035 215 3HZ LYS 28 3HZ LYS 28 -3.525 12.665 7.577 216 H HIS 29 H HIS 29 -0.883 10.415 1.389 217 HA HIS 29 HA HIS 29 1.211 12.381 1.575 218 1HB HIS 29 2HB HIS 29 0.974 9.869 -0.108 219 2HB HIS 29 3HB HIS 29 2.422 10.846 0.033 220 HD1 HIS 29 1HD HIS 29 3.870 10.650 2.259 221 HD2 HIS 29 2HD HIS 29 0.735 7.934 1.708 222 HE1 HIS 29 1HE HIS 29 4.359 8.574 3.685 223 H ARG 30 H ARG 30 -1.047 11.421 -1.000 224 HA ARG 30 HA ARG 30 -1.532 12.103 -3.009 225 1HB ARG 30 2HB ARG 30 -1.461 14.234 -3.677 226 2HB ARG 30 3HB ARG 30 -1.307 14.414 -1.953 227 1HG ARG 30 2HG ARG 30 1.382 14.298 -3.129 228 2HG ARG 30 3HG ARG 30 0.382 15.249 -4.197 229 1HD ARG 30 2HD ARG 30 1.551 15.920 -1.560 230 2HD ARG 30 3HD ARG 30 1.249 16.907 -2.957 231 HE ARG 30 HE ARG 30 -0.856 17.500 -2.208 232 1HH1 ARG 30 2HH2 ARG 30 0.482 14.965 -0.190 233 2HH1 ARG 30 1HH2 ARG 30 -0.728 15.027 1.037 234 1HH2 ARG 30 2HH1 ARG 30 -2.371 17.845 -0.458 235 2HH2 ARG 30 1HH1 ARG 30 -2.262 16.874 0.977 236 H GLY 31 H GLY 31 1.486 11.107 -2.162 237 1HA GLY 31 2HA GLY 31 2.748 11.094 -4.794 238 2HA GLY 31 1HA GLY 31 3.233 10.229 -3.338 239 H ILE 32 H ILE 32 0.641 9.076 -2.819 240 HA ILE 32 HA ILE 32 0.641 6.755 -4.626 241 HB ILE 32 HB ILE 32 -0.983 7.561 -2.169 242 1HG1 ILE 32 2HG1 ILE 32 0.145 5.462 -1.229 243 2HG1 ILE 32 3HG1 ILE 32 1.307 5.591 -2.557 244 1HG2 ILE 32 1HG2 ILE 32 -0.979 4.966 -3.743 245 2HG2 ILE 32 2HG2 ILE 32 -1.834 5.225 -2.216 246 3HG2 ILE 32 3HG2 ILE 32 -2.340 6.105 -3.664 247 1HD1 ILE 32 1HD1 ILE 32 0.655 7.802 -0.584 248 2HD1 ILE 32 2HD1 ILE 32 1.948 6.644 -0.290 249 3HD1 ILE 32 3HD1 ILE 32 2.070 7.753 -1.659 250 H LEU 33 H LEU 33 -0.300 7.192 -6.588 251 HA LEU 33 HA LEU 33 -2.351 9.321 -6.863 252 1HB LEU 33 2HB LEU 33 -1.154 7.423 -8.927 253 2HB LEU 33 3HB LEU 33 -2.159 8.843 -9.246 254 HG LEU 33 HG LEU 33 0.670 8.826 -8.100 255 1HD1 LEU 33 1HD1 LEU 33 1.245 9.942 -10.200 256 2HD1 LEU 33 2HD1 LEU 33 0.456 8.391 -10.534 257 3HD1 LEU 33 3HD1 LEU 33 -0.455 9.905 -10.721 258 1HD2 LEU 33 1HD2 LEU 33 0.502 11.334 -8.324 259 2HD2 LEU 33 2HD2 LEU 33 -1.243 11.157 -8.585 260 3HD2 LEU 33 3HD2 LEU 33 -0.509 10.677 -7.036 261 H TYR 34 H TYR 34 -2.102 5.777 -6.803 262 HA TYR 34 HA TYR 34 -4.970 5.808 -6.279 263 1HB TYR 34 2HB TYR 34 -4.646 5.522 -8.829 264 2HB TYR 34 3HB TYR 34 -3.872 3.979 -8.449 265 HD1 TYR 34 HD1 TYR 34 -5.215 2.061 -8.466 266 HD2 TYR 34 HD2 TYR 34 -6.981 5.896 -7.578 267 HE1 TYR 34 HE1 TYR 34 -7.362 0.966 -8.003 268 HE2 TYR 34 HE2 TYR 34 -9.056 4.790 -6.909 269 HH TYR 34 HH TYR 34 -9.312 1.240 -6.740 270 H CYS 35 H CYS 35 -5.711 3.793 -5.330 271 HA CYS 35 HA CYS 35 -3.716 1.838 -4.400 272 1HB CYS 35 2HB CYS 35 -3.583 3.733 -2.749 273 2HB CYS 35 3HB CYS 35 -5.317 3.496 -2.425 274 HG CYS 35 HG CYS 35 -3.991 2.361 -0.548 275 H SER 36 H SER 36 -4.735 -0.103 -4.394 276 HA SER 36 HA SER 36 -7.490 -0.179 -3.422 277 1HB SER 36 2HB SER 36 -6.727 -1.329 -6.117 278 2HB SER 36 3HB SER 36 -8.143 -1.861 -5.180 279 HG SER 36 HG SER 36 -7.914 0.858 -5.295 280 H VAL 37 H VAL 37 -7.322 -1.450 -1.707 281 HA VAL 37 HA VAL 37 -5.267 -3.596 -1.774 282 HB VAL 37 HB VAL 37 -4.833 -1.664 -0.263 283 1HG1 VAL 37 1HG1 VAL 37 -7.179 -1.326 0.606 284 2HG1 VAL 37 2HG1 VAL 37 -6.999 -2.839 1.501 285 3HG1 VAL 37 3HG1 VAL 37 -5.934 -1.483 1.852 286 1HG2 VAL 37 1HG2 VAL 37 -4.013 -3.040 1.523 287 2HG2 VAL 37 2HG2 VAL 37 -5.164 -4.342 1.101 288 3HG2 VAL 37 3HG2 VAL 37 -3.845 -3.925 0.002 289 H ALA 38 H ALA 38 -5.950 -5.551 -2.004 290 HA ALA 38 HA ALA 38 -8.821 -6.143 -1.384 291 1HB ALA 38 1HB ALA 38 -8.359 -6.067 -3.740 292 2HB ALA 38 2HB ALA 38 -6.958 -7.136 -3.557 293 3HB ALA 38 3HB ALA 38 -8.600 -7.756 -3.250 294 H LEU 39 H LEU 39 -8.732 -7.071 0.597 295 HA LEU 39 HA LEU 39 -7.036 -8.979 1.710 296 1HB LEU 39 2HB LEU 39 -10.039 -8.580 1.743 297 2HB LEU 39 3HB LEU 39 -9.344 -9.975 2.563 298 HG LEU 39 HG LEU 39 -8.304 -7.196 3.147 299 1HD1 LEU 39 1HD1 LEU 39 -9.857 -7.094 5.047 300 2HD1 LEU 39 2HD1 LEU 39 -10.773 -7.202 3.536 301 3HD1 LEU 39 3HD1 LEU 39 -10.594 -8.637 4.565 302 1HD2 LEU 39 1HD2 LEU 39 -8.373 -9.809 4.740 303 2HD2 LEU 39 2HD2 LEU 39 -6.940 -9.116 3.960 304 3HD2 LEU 39 3HD2 LEU 39 -7.710 -8.272 5.311 305 H ALA 40 H ALA 40 -9.364 -9.397 -0.926 306 HA ALA 40 HA ALA 40 -9.633 -12.187 -1.000 307 1HB ALA 40 1HB ALA 40 -10.116 -11.876 -3.393 308 2HB ALA 40 2HB ALA 40 -10.909 -10.609 -2.429 309 3HB ALA 40 3HB ALA 40 -9.419 -10.246 -3.341 310 H THR 41 H THR 41 -6.901 -10.163 -1.937 311 HA THR 41 HA THR 41 -5.334 -12.582 -2.656 312 HB THR 41 HB THR 41 -5.922 -11.600 -4.739 313 HG1 THR 41 1HG THR 41 -3.346 -10.972 -3.868 314 1HG2 THR 41 1HG2 THR 41 -5.227 -8.868 -3.635 315 2HG2 THR 41 2HG2 THR 41 -5.630 -9.250 -5.329 316 3HG2 THR 41 3HG2 THR 41 -6.837 -9.474 -4.081 317 H ASN 42 H ASN 42 -5.768 -10.832 -0.204 318 HA ASN 42 HA ASN 42 -4.716 -9.286 1.127 319 1HB ASN 42 2HB ASN 42 -3.412 -11.953 1.094 320 2HB ASN 42 3HB ASN 42 -2.446 -10.724 1.893 321 1HD2 ASN 42 1HD2 ASN 42 -3.262 -9.550 3.701 322 2HD2 ASN 42 2HD2 ASN 42 -4.612 -10.212 4.632 323 H LYS 43 H LYS 43 -4.350 -8.120 -1.235 324 HA LYS 43 HA LYS 43 -1.500 -7.275 -1.198 325 1HB LYS 43 2HB LYS 43 -1.290 -8.715 -2.916 326 2HB LYS 43 3HB LYS 43 -2.972 -8.635 -3.397 327 1HG LYS 43 2HG LYS 43 -1.176 -6.248 -3.945 328 2HG LYS 43 3HG LYS 43 -1.081 -7.669 -4.948 329 1HD LYS 43 2HD LYS 43 -3.839 -6.546 -4.371 330 2HD LYS 43 3HD LYS 43 -2.785 -5.688 -5.499 331 1HE LYS 43 2HE LYS 43 -3.501 -8.636 -5.715 332 2HE LYS 43 3HE LYS 43 -4.387 -7.336 -6.540 333 1HZ LYS 43 1HZ LYS 43 -1.519 -7.927 -7.023 334 2HZ LYS 43 2HZ LYS 43 -2.769 -8.357 -8.002 335 3HZ LYS 43 3HZ LYS 43 -2.338 -6.786 -7.732 336 H ALA 44 H ALA 44 -0.998 -5.259 -1.838 337 HA ALA 44 HA ALA 44 -3.213 -3.230 -2.059 338 1HB ALA 44 1HB ALA 44 -1.837 -2.918 0.011 339 2HB ALA 44 2HB ALA 44 -0.369 -2.953 -0.976 340 3HB ALA 44 3HB ALA 44 -1.544 -1.645 -1.190 341 H HIS 45 H HIS 45 -3.469 -3.105 -4.271 342 HA HIS 45 HA HIS 45 -1.049 -2.732 -5.981 343 1HB HIS 45 2HB HIS 45 -3.107 -3.982 -6.819 344 2HB HIS 45 3HB HIS 45 -3.997 -2.460 -6.655 345 HD1 HIS 45 1HD HIS 45 -1.753 -4.302 -8.985 346 HD2 HIS 45 2HD HIS 45 -2.698 -0.343 -8.015 347 HE1 HIS 45 1HE HIS 45 -1.152 -2.913 -11.046 348 H ILE 46 H ILE 46 -0.098 -0.968 -5.355 349 HA ILE 46 HA ILE 46 -1.661 1.555 -5.131 350 HB ILE 46 HB ILE 46 0.973 0.573 -4.045 351 1HG1 ILE 46 2HG1 ILE 46 -1.312 2.202 -2.859 352 2HG1 ILE 46 3HG1 ILE 46 -1.268 0.429 -2.875 353 1HG2 ILE 46 1HG2 ILE 46 1.709 2.584 -5.088 354 2HG2 ILE 46 2HG2 ILE 46 0.246 3.458 -4.621 355 3HG2 ILE 46 3HG2 ILE 46 1.443 2.995 -3.392 356 1HD1 ILE 46 1HD1 ILE 46 -0.549 1.073 -0.758 357 2HD1 ILE 46 2HD1 ILE 46 0.900 0.516 -1.620 358 3HD1 ILE 46 3HD1 ILE 46 0.602 2.267 -1.395 359 H LYS 47 H LYS 47 -1.387 3.017 -6.669 360 HA LYS 47 HA LYS 47 0.837 2.633 -8.587 361 1HB LYS 47 2HB LYS 47 -1.880 3.770 -9.081 362 2HB LYS 47 3HB LYS 47 -0.467 4.195 -10.053 363 1HG LYS 47 2HG LYS 47 -0.161 1.564 -10.302 364 2HG LYS 47 3HG LYS 47 -1.783 1.487 -9.632 365 1HD LYS 47 2HD LYS 47 -2.199 1.440 -11.905 366 2HD LYS 47 3HD LYS 47 -2.430 3.156 -11.560 367 1HE LYS 47 2HE LYS 47 0.012 1.798 -12.822 368 2HE LYS 47 3HE LYS 47 -1.194 2.783 -13.659 369 1HZ LYS 47 1HZ LYS 47 0.784 3.685 -11.685 370 2HZ LYS 47 2HZ LYS 47 0.742 4.070 -13.266 371 3HZ LYS 47 3HZ LYS 47 -0.418 4.665 -12.257 372 H TYR 48 H TYR 48 2.380 3.917 -8.130 373 HA TYR 48 HA TYR 48 2.001 6.594 -7.025 374 1HB TYR 48 2HB TYR 48 3.612 6.320 -5.352 375 2HB TYR 48 3HB TYR 48 2.684 4.845 -5.164 376 HD1 TYR 48 HD1 TYR 48 3.715 2.852 -6.943 377 HD2 TYR 48 HD2 TYR 48 5.919 6.116 -5.186 378 HE1 TYR 48 HE1 TYR 48 5.849 1.818 -7.625 379 HE2 TYR 48 HE2 TYR 48 8.021 4.887 -5.549 380 HH TYR 48 HH TYR 48 8.127 1.850 -7.433 381 H ASP 49 H ASP 49 4.382 7.618 -7.431 382 HA ASP 49 HA ASP 49 5.676 6.249 -9.742 383 1HB ASP 49 2HB ASP 49 4.752 9.122 -9.608 384 2HB ASP 49 3HB ASP 49 6.110 8.622 -10.622 385 HA PRO 50 HA PRO 50 8.990 6.689 -6.806 386 1HB PRO 50 2HB PRO 50 11.060 5.647 -8.213 387 2HB PRO 50 3HB PRO 50 9.640 4.670 -7.769 388 1HG PRO 50 2HG PRO 50 10.102 6.114 -10.399 389 2HG PRO 50 3HG PRO 50 9.707 4.382 -10.165 390 1HD PRO 50 2HD PRO 50 7.772 6.208 -10.693 391 2HD PRO 50 3HD PRO 50 7.487 4.885 -9.520 392 H GLU 51 H GLU 51 8.392 8.999 -7.316 393 HA GLU 51 HA GLU 51 10.653 10.732 -8.075 394 1HB GLU 51 2HB GLU 51 7.955 10.669 -9.537 395 2HB GLU 51 3HB GLU 51 9.089 12.018 -9.619 396 1HG GLU 51 2HG GLU 51 9.736 9.192 -10.580 397 2HG GLU 51 3HG GLU 51 9.145 10.505 -11.590 398 H ILE 52 H ILE 52 7.132 10.492 -7.376 399 HA ILE 52 HA ILE 52 7.184 12.991 -5.811 400 HB ILE 52 HB ILE 52 4.730 12.652 -5.743 401 1HG1 ILE 52 2HG1 ILE 52 5.251 10.365 -7.707 402 2HG1 ILE 52 3HG1 ILE 52 4.574 10.221 -6.082 403 1HG2 ILE 52 1HG2 ILE 52 5.907 12.694 -8.561 404 2HG2 ILE 52 2HG2 ILE 52 4.404 13.473 -8.018 405 3HG2 ILE 52 3HG2 ILE 52 5.957 14.064 -7.432 406 1HD1 ILE 52 1HD1 ILE 52 3.343 11.528 -8.543 407 2HD1 ILE 52 2HD1 ILE 52 2.778 10.111 -7.662 408 3HD1 ILE 52 3HD1 ILE 52 2.653 11.719 -6.917 409 H ILE 53 H ILE 53 7.135 9.479 -5.372 410 HA ILE 53 HA ILE 53 7.788 9.969 -2.630 411 HB ILE 53 HB ILE 53 5.216 9.931 -2.661 412 1HG1 ILE 53 2HG1 ILE 53 6.640 7.845 -1.030 413 2HG1 ILE 53 3HG1 ILE 53 6.634 9.611 -0.767 414 1HG2 ILE 53 1HG2 ILE 53 5.021 8.096 -4.378 415 2HG2 ILE 53 2HG2 ILE 53 5.561 6.952 -3.112 416 3HG2 ILE 53 3HG2 ILE 53 4.048 7.849 -2.926 417 1HD1 ILE 53 1HD1 ILE 53 4.224 7.755 -0.627 418 2HD1 ILE 53 2HD1 ILE 53 5.043 8.543 0.728 419 3HD1 ILE 53 3HD1 ILE 53 4.175 9.527 -0.473 420 H GLY 54 H GLY 54 8.774 8.018 -1.652 421 1HA GLY 54 2HA GLY 54 9.821 6.180 -3.724 422 2HA GLY 54 1HA GLY 54 10.401 6.392 -2.071 423 HA PRO 55 HA PRO 55 7.293 2.794 -2.432 424 1HB PRO 55 2HB PRO 55 8.947 0.612 -2.513 425 2HB PRO 55 3HB PRO 55 8.459 1.529 -3.969 426 1HG PRO 55 2HG PRO 55 11.047 1.804 -2.433 427 2HG PRO 55 3HG PRO 55 10.813 1.651 -4.194 428 1HD PRO 55 2HD PRO 55 11.138 4.089 -2.995 429 2HD PRO 55 3HD PRO 55 10.048 3.868 -4.393 430 H ARG 56 H ARG 56 10.438 2.890 -0.713 431 HA ARG 56 HA ARG 56 9.713 1.353 1.566 432 1HB ARG 56 2HB ARG 56 11.729 3.615 1.299 433 2HB ARG 56 3HB ARG 56 11.547 2.538 2.699 434 1HG ARG 56 2HG ARG 56 11.855 0.564 1.136 435 2HG ARG 56 3HG ARG 56 12.311 1.716 -0.136 436 1HD ARG 56 2HD ARG 56 14.178 2.526 1.271 437 2HD ARG 56 3HD ARG 56 13.664 1.422 2.577 438 HE ARG 56 HE ARG 56 14.085 -0.019 0.128 439 1HH1 ARG 56 2HH2 ARG 56 15.861 1.525 2.741 440 2HH1 ARG 56 1HH2 ARG 56 17.236 0.466 2.668 441 1HH2 ARG 56 2HH1 ARG 56 15.893 -1.454 -0.025 442 2HH2 ARG 56 1HH1 ARG 56 17.251 -1.267 1.031 443 H ASP 57 H ASP 57 9.425 4.869 0.953 444 HA ASP 57 HA ASP 57 8.357 5.765 3.274 445 1HB ASP 57 2HB ASP 57 7.050 6.563 0.679 446 2HB ASP 57 3HB ASP 57 7.504 7.573 2.038 447 H ILE 58 H ILE 58 6.544 4.307 0.538 448 HA ILE 58 HA ILE 58 3.951 4.442 1.768 449 HB ILE 58 HB ILE 58 5.138 2.877 -0.548 450 1HG1 ILE 58 2HG1 ILE 58 2.723 4.598 -0.719 451 2HG1 ILE 58 3HG1 ILE 58 4.268 5.431 -0.421 452 1HG2 ILE 58 1HG2 ILE 58 3.567 1.295 0.327 453 2HG2 ILE 58 2HG2 ILE 58 2.358 2.578 0.591 454 3HG2 ILE 58 3HG2 ILE 58 2.833 2.098 -1.057 455 1HD1 ILE 58 1HD1 ILE 58 5.274 4.390 -2.365 456 2HD1 ILE 58 2HD1 ILE 58 3.786 3.476 -2.698 457 3HD1 ILE 58 3HD1 ILE 58 3.790 5.251 -2.829 458 H ILE 59 H ILE 59 6.370 1.827 1.525 459 HA ILE 59 HA ILE 59 4.910 -0.159 2.909 460 HB ILE 59 HB ILE 59 7.884 0.357 2.666 461 1HG1 ILE 59 2HG1 ILE 59 6.299 -1.893 1.410 462 2HG1 ILE 59 3HG1 ILE 59 6.204 -0.285 0.684 463 1HG2 ILE 59 1HG2 ILE 59 7.634 -0.993 4.674 464 2HG2 ILE 59 2HG2 ILE 59 6.471 -2.059 3.862 465 3HG2 ILE 59 3HG2 ILE 59 8.174 -2.043 3.365 466 1HD1 ILE 59 1HD1 ILE 59 7.896 -1.560 -0.418 467 2HD1 ILE 59 2HD1 ILE 59 8.638 -0.210 0.445 468 3HD1 ILE 59 3HD1 ILE 59 8.763 -1.851 1.116 469 H HIS 60 H HIS 60 7.234 2.244 4.273 470 HA HIS 60 HA HIS 60 6.938 1.580 6.981 471 1HB HIS 60 2HB HIS 60 7.306 4.344 5.735 472 2HB HIS 60 3HB HIS 60 7.518 3.953 7.441 473 HD1 HIS 60 1HD HIS 60 9.687 4.701 4.813 474 HD2 HIS 60 2HD HIS 60 9.342 1.493 7.508 475 HE1 HIS 60 1HE HIS 60 12.013 3.654 4.998 476 H THR 61 H THR 61 4.958 3.896 4.972 477 HA THR 61 HA THR 61 3.317 4.661 7.153 478 HB THR 61 HB THR 61 2.479 4.483 4.236 479 HG1 THR 61 1HG THR 61 3.274 6.597 4.146 480 1HG2 THR 61 1HG2 THR 61 1.027 6.405 4.851 481 2HG2 THR 61 2HG2 THR 61 0.646 5.009 5.873 482 3HG2 THR 61 3HG2 THR 61 1.626 6.338 6.520 483 H ILE 62 H ILE 62 2.799 2.091 4.706 484 HA ILE 62 HA ILE 62 0.291 1.137 5.606 485 HB ILE 62 HB ILE 62 2.595 -0.149 4.121 486 1HG1 ILE 62 2HG1 ILE 62 -0.209 0.711 3.282 487 2HG1 ILE 62 3HG1 ILE 62 1.224 1.736 3.116 488 1HG2 ILE 62 1HG2 ILE 62 -0.152 -1.377 4.626 489 2HG2 ILE 62 2HG2 ILE 62 1.103 -2.005 3.535 490 3HG2 ILE 62 3HG2 ILE 62 1.389 -2.000 5.258 491 1HD1 ILE 62 1HD1 ILE 62 0.691 -0.878 1.675 492 2HD1 ILE 62 2HD1 ILE 62 0.884 0.739 0.997 493 3HD1 ILE 62 3HD1 ILE 62 2.281 -0.055 1.733 494 H GLU 63 H GLU 63 3.564 -0.215 6.357 495 HA GLU 63 HA GLU 63 2.508 -2.149 8.093 496 1HB GLU 63 2HB GLU 63 5.309 -0.930 8.050 497 2HB GLU 63 3HB GLU 63 4.829 -2.395 8.926 498 1HG GLU 63 2HG GLU 63 4.040 -3.371 6.730 499 2HG GLU 63 3HG GLU 63 4.753 -1.996 5.899 500 H SER 64 H SER 64 3.888 1.066 8.789 501 HA SER 64 HA SER 64 3.600 1.161 11.556 502 1HB SER 64 2HB SER 64 4.786 2.830 10.284 503 2HB SER 64 3HB SER 64 3.303 3.376 9.490 504 HG SER 64 HG SER 64 3.948 4.681 11.298 505 H LEU 65 H LEU 65 0.991 1.963 9.085 506 HA LEU 65 HA LEU 65 -0.886 2.775 10.978 507 1HB LEU 65 2HB LEU 65 -1.163 1.369 8.316 508 2HB LEU 65 3HB LEU 65 -2.577 1.886 9.224 509 HG LEU 65 HG LEU 65 -0.377 3.905 8.747 510 1HD1 LEU 65 1HD1 LEU 65 -1.450 4.486 6.601 511 2HD1 LEU 65 2HD1 LEU 65 -0.725 2.867 6.610 512 3HD1 LEU 65 3HD1 LEU 65 -2.493 3.048 6.735 513 1HD2 LEU 65 1HD2 LEU 65 -2.233 5.470 8.816 514 2HD2 LEU 65 2HD2 LEU 65 -3.415 4.144 8.861 515 3HD2 LEU 65 3HD2 LEU 65 -2.323 4.425 10.239 516 H GLY 66 H GLY 66 -0.538 -0.644 9.759 517 1HA GLY 66 2HA GLY 66 -1.311 -1.570 12.402 518 2HA GLY 66 1HA GLY 66 -2.631 -1.765 11.243 519 H PHE 67 H PHE 67 0.662 -2.263 9.956 520 HA PHE 67 HA PHE 67 -0.181 -5.134 9.644 521 1HB PHE 67 2HB PHE 67 0.427 -3.208 7.379 522 2HB PHE 67 3HB PHE 67 -0.167 -4.858 7.232 523 HD1 PHE 67 1HD PHE 67 -1.200 -1.515 7.010 524 HD2 PHE 67 2HD PHE 67 -2.391 -5.230 8.809 525 HE1 PHE 67 1HE PHE 67 -3.349 -0.503 7.683 526 HE2 PHE 67 2HE PHE 67 -4.561 -4.249 9.432 527 HZ PHE 67 HZ PHE 67 -5.048 -1.862 8.869 528 H GLU 68 H GLU 68 1.319 -6.312 8.128 529 HA GLU 68 HA GLU 68 4.081 -5.197 8.100 530 1HB GLU 68 2HB GLU 68 3.452 -8.124 7.979 531 2HB GLU 68 3HB GLU 68 5.033 -7.327 8.111 532 1HG GLU 68 2HG GLU 68 4.642 -6.844 10.426 533 2HG GLU 68 3HG GLU 68 2.953 -7.374 10.334 534 H ALA 69 H ALA 69 5.080 -5.633 5.982 535 HA ALA 69 HA ALA 69 3.144 -6.334 3.807 536 1HB ALA 69 1HB ALA 69 4.062 -4.467 2.566 537 2HB ALA 69 2HB ALA 69 3.413 -3.899 4.114 538 3HB ALA 69 3HB ALA 69 5.170 -4.079 3.901 539 H SER 70 H SER 70 4.216 -6.692 1.681 540 HA SER 70 HA SER 70 7.092 -7.271 1.624 541 1HB SER 70 2HB SER 70 6.129 -9.416 2.422 542 2HB SER 70 3HB SER 70 5.041 -9.456 1.028 543 HG SER 70 HG SER 70 6.844 -9.667 -0.307 544 H LEU 71 H LEU 71 7.582 -5.995 -0.181 545 HA LEU 71 HA LEU 71 5.928 -5.815 -2.628 546 1HB LEU 71 2HB LEU 71 8.028 -5.018 -3.618 547 2HB LEU 71 3HB LEU 71 7.436 -4.028 -2.298 548 HG LEU 71 HG LEU 71 9.422 -6.077 -1.435 549 1HD1 LEU 71 1HD1 LEU 71 10.349 -5.578 -3.659 550 2HD1 LEU 71 2HD1 LEU 71 10.243 -3.835 -3.330 551 3HD1 LEU 71 3HD1 LEU 71 11.349 -4.856 -2.386 552 1HD2 LEU 71 1HD2 LEU 71 8.543 -4.125 -0.042 553 2HD2 LEU 71 2HD2 LEU 71 10.310 -4.199 -0.180 554 3HD2 LEU 71 3HD2 LEU 71 9.398 -3.043 -1.162 555 H VAL 72 H VAL 72 5.346 -7.993 -2.736 556 HA VAL 72 HA VAL 72 7.080 -10.156 -3.019 557 HB VAL 72 HB VAL 72 5.125 -11.247 -4.208 558 1HG1 VAL 72 1HG1 VAL 72 5.518 -11.341 -1.779 559 2HG1 VAL 72 2HG1 VAL 72 4.508 -9.897 -1.583 560 3HG1 VAL 72 3HG1 VAL 72 3.813 -11.402 -2.224 561 1HG2 VAL 72 1HG2 VAL 72 3.010 -10.139 -4.344 562 2HG2 VAL 72 2HG2 VAL 72 3.646 -8.650 -3.630 563 3HG2 VAL 72 3HG2 VAL 72 4.180 -9.167 -5.245 564 H LYS 73 H LYS 73 6.568 -7.688 -5.390 565 HA LYS 73 HA LYS 73 8.727 -8.942 -6.846 566 1HB LYS 73 2HB LYS 73 6.640 -9.760 -7.972 567 2HB LYS 73 3HB LYS 73 6.283 -8.144 -8.525 568 1HG LYS 73 2HG LYS 73 8.970 -9.522 -9.063 569 2HG LYS 73 3HG LYS 73 7.530 -9.936 -9.985 570 1HD LYS 73 2HD LYS 73 7.308 -7.546 -10.723 571 2HD LYS 73 3HD LYS 73 8.886 -7.200 -10.001 572 1HE LYS 73 2HE LYS 73 8.485 -9.388 -12.067 573 2HE LYS 73 3HE LYS 73 8.922 -7.727 -12.485 574 1HZ LYS 73 1HZ LYS 73 10.796 -9.489 -12.073 575 2HZ LYS 73 2HZ LYS 73 11.009 -7.950 -11.536 576 3HZ LYS 73 3HZ LYS 73 10.598 -9.015 -10.487 577 H ILE 74 H ILE 74 7.333 -6.466 -8.666 578 HA ILE 74 HA ILE 74 8.438 -4.676 -9.390 579 HB ILE 74 HB ILE 74 8.174 -2.702 -8.003 580 1HG1 ILE 74 2HG1 ILE 74 7.379 -4.656 -5.792 581 2HG1 ILE 74 3HG1 ILE 74 8.807 -3.595 -5.800 582 1HG2 ILE 74 1HG2 ILE 74 5.815 -2.776 -8.054 583 2HG2 ILE 74 2HG2 ILE 74 6.317 -3.900 -9.296 584 3HG2 ILE 74 3HG2 ILE 74 5.751 -4.523 -7.731 585 1HD1 ILE 74 1HD1 ILE 74 7.066 -1.666 -5.989 586 2HD1 ILE 74 2HD1 ILE 74 5.878 -2.929 -5.545 587 3HD1 ILE 74 3HD1 ILE 74 7.193 -2.528 -4.437 588 H GLU 75 H GLU 75 10.244 -6.717 -8.366 589 HA GLU 75 HA GLU 75 12.525 -5.192 -9.188 590 1HB GLU 75 2HB GLU 75 12.809 -5.514 -6.670 591 2HB GLU 75 3HB GLU 75 12.618 -7.259 -6.914 592 1HG GLU 75 2HG GLU 75 14.646 -7.276 -8.338 593 2HG GLU 75 3HG GLU 75 14.802 -5.519 -8.152 Start of MODEL 10 1 1H MET 1 H1 MET 1 4.027 5.009 -19.001 2 2H MET 1 H2 MET 1 3.700 3.508 -19.634 3 3H MET 1 H3 MET 1 3.958 3.696 -18.034 4 HA MET 1 HA MET 1 5.896 2.746 -18.958 5 1HB MET 1 2HB MET 1 5.840 5.156 -20.814 6 2HB MET 1 3HB MET 1 7.244 4.105 -20.572 7 1HG MET 1 2HG MET 1 5.917 2.141 -21.293 8 2HG MET 1 3HG MET 1 4.538 3.204 -21.633 9 1HE MET 1 1HE MET 1 5.765 1.113 -23.689 10 2HE MET 1 2HE MET 1 4.365 2.159 -24.042 11 3HE MET 1 3HE MET 1 5.732 2.087 -25.177 12 H GLY 2 H GLY 2 6.120 3.120 -16.757 13 1HA GLY 2 2HA GLY 2 8.170 4.379 -15.554 14 2HA GLY 2 1HA GLY 2 6.998 5.717 -15.685 15 H ASP 3 H ASP 3 4.920 5.451 -14.774 16 HA ASP 3 HA ASP 3 3.092 4.579 -13.950 17 1HB ASP 3 2HB ASP 3 4.288 1.824 -14.355 18 2HB ASP 3 3HB ASP 3 2.584 2.311 -14.392 19 H GLY 4 H GLY 4 5.792 2.763 -12.466 20 1HA GLY 4 2HA GLY 4 6.222 2.154 -10.300 21 2HA GLY 4 1HA GLY 4 5.377 3.645 -9.872 22 H VAL 5 H VAL 5 4.323 0.565 -11.346 23 HA VAL 5 HA VAL 5 2.011 0.375 -9.532 24 HB VAL 5 HB VAL 5 2.847 -1.478 -11.793 25 1HG1 VAL 5 1HG1 VAL 5 1.328 -2.554 -10.244 26 2HG1 VAL 5 2HG1 VAL 5 0.317 -1.102 -10.201 27 3HG1 VAL 5 3HG1 VAL 5 0.413 -2.087 -11.686 28 1HG2 VAL 5 1HG2 VAL 5 1.094 -0.282 -13.106 29 2HG2 VAL 5 2HG2 VAL 5 0.985 0.934 -11.809 30 3HG2 VAL 5 3HG2 VAL 5 2.486 0.733 -12.728 31 H LEU 6 H LEU 6 2.899 -0.071 -7.513 32 HA LEU 6 HA LEU 6 4.550 -2.564 -7.255 33 1HB LEU 6 2HB LEU 6 5.351 -0.157 -6.491 34 2HB LEU 6 3HB LEU 6 4.282 -0.488 -5.123 35 HG LEU 6 HG LEU 6 5.588 -2.595 -4.679 36 1HD1 LEU 6 1HD1 LEU 6 7.908 -2.682 -5.781 37 2HD1 LEU 6 2HD1 LEU 6 6.585 -3.138 -6.846 38 3HD1 LEU 6 3HD1 LEU 6 7.306 -1.518 -6.969 39 1HD2 LEU 6 1HD2 LEU 6 7.624 -1.370 -3.841 40 2HD2 LEU 6 2HD2 LEU 6 7.167 0.006 -4.844 41 3HD2 LEU 6 3HD2 LEU 6 6.120 -0.497 -3.495 42 H GLU 7 H GLU 7 3.213 -4.242 -6.819 43 HA GLU 7 HA GLU 7 0.939 -3.821 -5.002 44 1HB GLU 7 2HB GLU 7 1.931 -6.466 -6.044 45 2HB GLU 7 3HB GLU 7 0.447 -6.096 -5.173 46 1HG GLU 7 2HG GLU 7 0.014 -4.400 -7.164 47 2HG GLU 7 3HG GLU 7 1.299 -5.356 -7.916 48 H LEU 8 H LEU 8 1.186 -4.166 -2.791 49 HA LEU 8 HA LEU 8 3.693 -5.531 -1.867 50 1HB LEU 8 2HB LEU 8 1.815 -3.706 -0.327 51 2HB LEU 8 3HB LEU 8 3.183 -4.599 0.327 52 HG LEU 8 HG LEU 8 4.743 -3.271 -1.100 53 1HD1 LEU 8 1HD1 LEU 8 2.196 -1.786 -1.855 54 2HD1 LEU 8 2HD1 LEU 8 3.806 -1.041 -1.946 55 3HD1 LEU 8 3HD1 LEU 8 3.444 -2.440 -2.942 56 1HD2 LEU 8 1HD2 LEU 8 4.517 -1.214 0.269 57 2HD2 LEU 8 2HD2 LEU 8 2.890 -1.734 0.749 58 3HD2 LEU 8 3HD2 LEU 8 4.312 -2.685 1.234 59 H VAL 9 H VAL 9 3.393 -7.617 -1.075 60 HA VAL 9 HA VAL 9 0.638 -8.496 -0.422 61 HB VAL 9 HB VAL 9 1.802 -10.539 0.483 62 1HG1 VAL 9 1HG1 VAL 9 1.846 -9.851 -2.448 63 2HG1 VAL 9 2HG1 VAL 9 2.093 -11.491 -1.796 64 3HG1 VAL 9 3HG1 VAL 9 0.565 -10.637 -1.516 65 1HG2 VAL 9 1HG2 VAL 9 4.228 -9.491 -0.990 66 2HG2 VAL 9 2HG2 VAL 9 4.039 -9.755 0.764 67 3HG2 VAL 9 3HG2 VAL 9 3.989 -11.121 -0.350 68 H VAL 10 H VAL 10 -0.277 -8.396 1.545 69 HA VAL 10 HA VAL 10 1.253 -6.960 3.674 70 HB VAL 10 HB VAL 10 -1.747 -7.028 3.197 71 1HG1 VAL 10 1HG1 VAL 10 -1.152 -6.382 5.500 72 2HG1 VAL 10 2HG1 VAL 10 0.034 -5.212 4.889 73 3HG1 VAL 10 3HG1 VAL 10 -1.701 -4.959 4.624 74 1HG2 VAL 10 1HG2 VAL 10 -1.519 -4.734 2.327 75 2HG2 VAL 10 2HG2 VAL 10 0.252 -4.928 2.321 76 3HG2 VAL 10 3HG2 VAL 10 -0.776 -5.936 1.264 77 H ARG 11 H ARG 11 0.963 -7.645 5.834 78 HA ARG 11 HA ARG 11 -0.993 -9.815 6.317 79 1HB ARG 11 2HB ARG 11 0.706 -10.542 8.182 80 2HB ARG 11 3HB ARG 11 0.823 -11.150 6.525 81 1HG ARG 11 2HG ARG 11 2.576 -9.521 5.985 82 2HG ARG 11 3HG ARG 11 2.459 -8.870 7.631 83 1HD ARG 11 2HD ARG 11 3.041 -11.799 7.020 84 2HD ARG 11 3HD ARG 11 4.323 -10.577 7.001 85 HE ARG 11 HE ARG 11 3.168 -10.143 9.454 86 1HH1 ARG 11 2HH2 ARG 11 4.544 -13.034 7.973 87 2HH1 ARG 11 1HH2 ARG 11 5.225 -13.622 9.464 88 1HH2 ARG 11 2HH1 ARG 11 4.094 -10.737 11.238 89 2HH2 ARG 11 1HH1 ARG 11 4.913 -12.281 11.485 90 H GLY 12 H GLY 12 -2.135 -9.564 8.081 91 1HA GLY 12 2HA GLY 12 -2.537 -8.755 10.316 92 2HA GLY 12 1HA GLY 12 -1.660 -7.271 9.948 93 H MET 13 H MET 13 -3.575 -8.122 7.263 94 HA MET 13 HA MET 13 -5.402 -5.942 7.655 95 1HB MET 13 2HB MET 13 -5.475 -8.292 5.716 96 2HB MET 13 3HB MET 13 -6.512 -6.858 5.661 97 1HG MET 13 2HG MET 13 -4.534 -5.416 5.324 98 2HG MET 13 3HG MET 13 -3.480 -6.833 5.404 99 1HE MET 13 1HE MET 13 -7.001 -6.758 3.554 100 2HE MET 13 2HE MET 13 -6.368 -5.099 3.461 101 3HE MET 13 3HE MET 13 -6.496 -6.104 1.993 102 H THR 14 H THR 14 -7.727 -6.100 7.790 103 HA THR 14 HA THR 14 -9.080 -8.540 8.076 104 HB THR 14 HB THR 14 -8.359 -8.751 10.298 105 HG1 THR 14 1HG THR 14 -10.306 -8.493 11.409 106 1HG2 THR 14 1HG2 THR 14 -8.587 -6.992 12.024 107 2HG2 THR 14 2HG2 THR 14 -7.434 -6.546 10.763 108 3HG2 THR 14 3HG2 THR 14 -9.064 -5.824 10.776 109 H CYS 15 H CYS 15 -10.986 -8.198 7.238 110 HA CYS 15 HA CYS 15 -12.914 -7.276 6.478 111 1HB CYS 15 2HB CYS 15 -12.601 -5.489 8.930 112 2HB CYS 15 3HB CYS 15 -14.089 -5.744 8.007 113 HG CYS 15 HG CYS 15 -12.259 -7.950 9.615 114 H ALA 16 H ALA 16 -14.106 -5.189 5.959 115 HA ALA 16 HA ALA 16 -12.791 -3.786 3.920 116 1HB ALA 16 1HB ALA 16 -15.206 -2.998 5.594 117 2HB ALA 16 2HB ALA 16 -14.778 -2.331 3.999 118 3HB ALA 16 3HB ALA 16 -15.218 -4.052 4.163 119 H SER 17 H SER 17 -12.944 -3.187 7.369 120 HA SER 17 HA SER 17 -12.353 -0.500 7.609 121 1HB SER 17 2HB SER 17 -11.480 -1.111 9.801 122 2HB SER 17 3HB SER 17 -13.069 -1.786 9.386 123 HG SER 17 HG SER 17 -11.518 -3.688 8.620 124 H CYS 18 H CYS 18 -9.771 -2.981 8.227 125 HA CYS 18 HA CYS 18 -7.582 -1.314 7.992 126 1HB CYS 18 2HB CYS 18 -7.951 -4.225 7.205 127 2HB CYS 18 3HB CYS 18 -6.364 -3.443 7.233 128 HG CYS 18 HG CYS 18 -6.576 -4.840 9.409 129 H VAL 19 H VAL 19 -9.362 -2.985 5.409 130 HA VAL 19 HA VAL 19 -7.748 -2.323 3.260 131 HB VAL 19 HB VAL 19 -10.671 -2.937 3.579 132 1HG1 VAL 19 1HG1 VAL 19 -10.789 -1.471 1.713 133 2HG1 VAL 19 2HG1 VAL 19 -9.356 -2.224 0.957 134 3HG1 VAL 19 3HG1 VAL 19 -10.882 -3.129 1.132 135 1HG2 VAL 19 1HG2 VAL 19 -10.047 -4.965 2.397 136 2HG2 VAL 19 2HG2 VAL 19 -8.372 -4.386 2.291 137 3HG2 VAL 19 3HG2 VAL 19 -9.087 -4.741 3.871 138 H HIS 20 H HIS 20 -10.797 -0.465 4.013 139 HA HIS 20 HA HIS 20 -9.939 1.580 2.230 140 1HB HIS 20 2HB HIS 20 -11.855 2.719 2.581 141 2HB HIS 20 3HB HIS 20 -12.335 1.053 2.908 142 HD1 HIS 20 1HD HIS 20 -13.112 4.281 4.242 143 HD2 HIS 20 2HD HIS 20 -11.911 0.616 5.823 144 HE1 HIS 20 1HE HIS 20 -13.865 4.237 6.709 145 H LYS 21 H LYS 21 -9.413 1.120 5.680 146 HA LYS 21 HA LYS 21 -8.526 3.701 6.375 147 1HB LYS 21 2HB LYS 21 -8.877 1.921 8.020 148 2HB LYS 21 3HB LYS 21 -7.568 0.967 7.314 149 1HG LYS 21 2HG LYS 21 -6.857 2.010 9.365 150 2HG LYS 21 3HG LYS 21 -5.907 2.637 8.014 151 1HD LYS 21 2HD LYS 21 -7.215 4.699 7.972 152 2HD LYS 21 3HD LYS 21 -8.362 4.033 9.165 153 1HE LYS 21 2HE LYS 21 -6.461 3.904 10.829 154 2HE LYS 21 3HE LYS 21 -5.408 4.670 9.625 155 1HZ LYS 21 1HZ LYS 21 -6.827 6.589 9.677 156 2HZ LYS 21 2HZ LYS 21 -7.813 5.888 10.798 157 3HZ LYS 21 3HZ LYS 21 -6.256 6.250 11.181 158 H ILE 22 H ILE 22 -6.610 0.884 5.090 159 HA ILE 22 HA ILE 22 -4.178 2.351 4.839 160 HB ILE 22 HB ILE 22 -5.216 -0.138 3.466 161 1HG1 ILE 22 2HG1 ILE 22 -3.116 0.403 5.635 162 2HG1 ILE 22 3HG1 ILE 22 -4.730 -0.236 5.929 163 1HG2 ILE 22 1HG2 ILE 22 -3.470 1.030 2.000 164 2HG2 ILE 22 2HG2 ILE 22 -2.348 0.876 3.374 165 3HG2 ILE 22 3HG2 ILE 22 -3.007 -0.559 2.578 166 1HD1 ILE 22 1HD1 ILE 22 -2.407 -1.554 4.525 167 2HD1 ILE 22 2HD1 ILE 22 -3.328 -2.131 5.921 168 3HD1 ILE 22 3HD1 ILE 22 -4.083 -2.150 4.326 169 H GLU 23 H GLU 23 -6.725 1.638 2.364 170 HA GLU 23 HA GLU 23 -5.529 2.990 0.241 171 1HB GLU 23 2HB GLU 23 -8.467 2.697 0.943 172 2HB GLU 23 3HB GLU 23 -7.895 3.259 -0.630 173 1HG GLU 23 2HG GLU 23 -6.762 1.216 -1.091 174 2HG GLU 23 3HG GLU 23 -6.981 0.609 0.563 175 H SER 24 H SER 24 -7.848 4.386 2.545 176 HA SER 24 HA SER 24 -7.737 7.078 1.719 177 1HB SER 24 2HB SER 24 -9.382 6.172 3.297 178 2HB SER 24 3HB SER 24 -8.128 5.878 4.506 179 HG SER 24 HG SER 24 -7.800 8.124 4.623 180 H SER 25 H SER 25 -5.748 5.381 4.212 181 HA SER 25 HA SER 25 -4.313 7.579 5.186 182 1HB SER 25 2HB SER 25 -3.773 4.603 5.002 183 2HB SER 25 3HB SER 25 -2.565 5.661 5.678 184 HG SER 25 HG SER 25 -4.100 4.761 7.199 185 H LEU 26 H LEU 26 -3.342 5.228 2.606 186 HA LEU 26 HA LEU 26 -0.925 6.742 2.130 187 1HB LEU 26 2HB LEU 26 -2.186 4.484 0.572 188 2HB LEU 26 3HB LEU 26 -0.682 5.314 0.139 189 HG LEU 26 HG LEU 26 -0.139 3.369 1.205 190 1HD1 LEU 26 1HD1 LEU 26 1.423 4.064 2.861 191 2HD1 LEU 26 2HD1 LEU 26 1.269 5.407 1.708 192 3HD1 LEU 26 3HD1 LEU 26 0.464 5.479 3.293 193 1HD2 LEU 26 1HD2 LEU 26 -1.607 4.166 3.737 194 2HD2 LEU 26 2HD2 LEU 26 -2.107 2.940 2.541 195 3HD2 LEU 26 3HD2 LEU 26 -0.628 2.721 3.486 196 H THR 27 H THR 27 -4.078 6.573 0.350 197 HA THR 27 HA THR 27 -3.219 8.117 -1.835 198 HB THR 27 HB THR 27 -5.935 8.095 -0.502 199 HG1 THR 27 1HG THR 27 -5.411 6.063 -1.096 200 1HG2 THR 27 1HG2 THR 27 -5.778 9.956 -2.145 201 2HG2 THR 27 2HG2 THR 27 -5.092 8.840 -3.348 202 3HG2 THR 27 3HG2 THR 27 -6.769 8.640 -2.800 203 H LYS 28 H LYS 28 -4.142 9.215 1.441 204 HA LYS 28 HA LYS 28 -4.259 11.982 0.964 205 1HB LYS 28 2HB LYS 28 -3.214 10.540 3.418 206 2HB LYS 28 3HB LYS 28 -3.620 12.248 3.332 207 1HG LYS 28 2HG LYS 28 -5.838 10.584 2.342 208 2HG LYS 28 3HG LYS 28 -5.357 10.099 3.965 209 1HD LYS 28 2HD LYS 28 -5.969 12.976 3.158 210 2HD LYS 28 3HD LYS 28 -7.179 11.847 3.795 211 1HE LYS 28 2HE LYS 28 -5.858 11.551 5.879 212 2HE LYS 28 3HE LYS 28 -4.637 12.686 5.291 213 1HZ LYS 28 1HZ LYS 28 -7.456 13.345 5.833 214 2HZ LYS 28 2HZ LYS 28 -6.166 13.737 6.774 215 3HZ LYS 28 3HZ LYS 28 -6.316 14.398 5.278 216 H HIS 29 H HIS 29 -1.300 9.964 0.914 217 HA HIS 29 HA HIS 29 0.536 12.126 1.459 218 1HB HIS 29 2HB HIS 29 0.868 9.598 -0.172 219 2HB HIS 29 3HB HIS 29 2.174 10.713 0.195 220 HD1 HIS 29 1HD HIS 29 3.703 9.293 1.896 221 HD2 HIS 29 2HD HIS 29 -0.443 8.938 2.438 222 HE1 HIS 29 1HE HIS 29 3.340 7.621 3.698 223 H ARG 30 H ARG 30 -1.330 11.207 -1.395 224 HA ARG 30 HA ARG 30 -1.676 12.121 -3.380 225 1HB ARG 30 2HB ARG 30 0.185 14.428 -2.737 226 2HB ARG 30 3HB ARG 30 -1.092 14.353 -3.947 227 1HG ARG 30 2HG ARG 30 -2.801 14.198 -2.129 228 2HG ARG 30 3HG ARG 30 -1.497 14.335 -0.928 229 1HD ARG 30 2HD ARG 30 -0.784 16.480 -1.973 230 2HD ARG 30 3HD ARG 30 -2.226 16.408 -3.023 231 HE ARG 30 HE ARG 30 -3.051 16.083 -0.331 232 1HH1 ARG 30 2HH2 ARG 30 -1.596 18.555 -2.365 233 2HH1 ARG 30 1HH2 ARG 30 -2.189 19.914 -1.460 234 1HH2 ARG 30 2HH1 ARG 30 -3.887 17.859 0.914 235 2HH2 ARG 30 1HH1 ARG 30 -3.538 19.495 0.458 236 H GLY 31 H GLY 31 1.392 11.104 -2.375 237 1HA GLY 31 2HA GLY 31 2.679 11.268 -4.983 238 2HA GLY 31 1HA GLY 31 3.208 10.334 -3.584 239 H ILE 32 H ILE 32 0.550 9.143 -3.214 240 HA ILE 32 HA ILE 32 0.779 6.859 -5.032 241 HB ILE 32 HB ILE 32 -0.906 7.504 -2.592 242 1HG1 ILE 32 2HG1 ILE 32 0.446 5.287 -1.899 243 2HG1 ILE 32 3HG1 ILE 32 1.601 5.930 -3.070 244 1HG2 ILE 32 1HG2 ILE 32 -1.562 5.070 -2.695 245 2HG2 ILE 32 2HG2 ILE 32 -2.206 5.984 -4.071 246 3HG2 ILE 32 3HG2 ILE 32 -0.752 4.968 -4.274 247 1HD1 ILE 32 1HD1 ILE 32 2.095 6.734 -0.801 248 2HD1 ILE 32 2HD1 ILE 32 1.510 8.109 -1.743 249 3HD1 ILE 32 3HD1 ILE 32 0.462 7.271 -0.591 250 H LEU 33 H LEU 33 -0.205 6.883 -6.931 251 HA LEU 33 HA LEU 33 -2.315 8.867 -7.553 252 1HB LEU 33 2HB LEU 33 -1.114 6.613 -9.226 253 2HB LEU 33 3HB LEU 33 -2.192 7.895 -9.789 254 HG LEU 33 HG LEU 33 0.692 8.211 -8.847 255 1HD1 LEU 33 1HD1 LEU 33 -0.715 8.565 -11.538 256 2HD1 LEU 33 2HD1 LEU 33 0.985 8.945 -11.227 257 3HD1 LEU 33 3HD1 LEU 33 0.422 7.271 -11.096 258 1HD2 LEU 33 1HD2 LEU 33 -0.526 10.202 -8.111 259 2HD2 LEU 33 2HD2 LEU 33 0.437 10.594 -9.536 260 3HD2 LEU 33 3HD2 LEU 33 -1.315 10.348 -9.703 261 H TYR 34 H TYR 34 -1.967 5.366 -6.808 262 HA TYR 34 HA TYR 34 -4.863 5.305 -6.499 263 1HB TYR 34 2HB TYR 34 -4.328 4.881 -9.004 264 2HB TYR 34 3HB TYR 34 -3.539 3.394 -8.468 265 HD1 TYR 34 HD1 TYR 34 -4.811 1.429 -8.361 266 HD2 TYR 34 HD2 TYR 34 -6.759 5.265 -8.051 267 HE1 TYR 34 HE1 TYR 34 -6.973 0.307 -8.057 268 HE2 TYR 34 HE2 TYR 34 -8.881 4.150 -7.552 269 HH TYR 34 HH TYR 34 -9.028 0.673 -6.958 270 H CYS 35 H CYS 35 -5.547 3.559 -5.238 271 HA CYS 35 HA CYS 35 -3.529 1.687 -4.121 272 1HB CYS 35 2HB CYS 35 -3.696 3.786 -2.654 273 2HB CYS 35 3HB CYS 35 -5.388 3.313 -2.369 274 HG CYS 35 HG CYS 35 -2.556 1.724 -1.859 275 H SER 36 H SER 36 -4.497 -0.316 -4.159 276 HA SER 36 HA SER 36 -7.321 -0.457 -3.372 277 1HB SER 36 2HB SER 36 -6.371 -1.553 -6.028 278 2HB SER 36 3HB SER 36 -7.808 -2.167 -5.178 279 HG SER 36 HG SER 36 -7.681 0.571 -5.267 280 H VAL 37 H VAL 37 -7.340 -1.736 -1.714 281 HA VAL 37 HA VAL 37 -5.085 -3.637 -1.350 282 HB VAL 37 HB VAL 37 -6.738 -2.177 0.740 283 1HG1 VAL 37 1HG1 VAL 37 -4.861 -2.728 2.211 284 2HG1 VAL 37 2HG1 VAL 37 -5.461 -4.224 1.467 285 3HG1 VAL 37 3HG1 VAL 37 -3.981 -3.472 0.856 286 1HG2 VAL 37 1HG2 VAL 37 -3.976 -1.458 -0.366 287 2HG2 VAL 37 2HG2 VAL 37 -5.450 -0.561 -0.715 288 3HG2 VAL 37 3HG2 VAL 37 -4.854 -0.634 0.938 289 H ALA 38 H ALA 38 -5.889 -5.487 -2.285 290 HA ALA 38 HA ALA 38 -8.732 -6.152 -1.844 291 1HB ALA 38 1HB ALA 38 -6.570 -7.321 -3.613 292 2HB ALA 38 2HB ALA 38 -8.255 -7.905 -3.522 293 3HB ALA 38 3HB ALA 38 -7.905 -6.262 -4.098 294 H LEU 39 H LEU 39 -8.700 -6.671 0.334 295 HA LEU 39 HA LEU 39 -7.146 -8.377 1.806 296 1HB LEU 39 2HB LEU 39 -9.141 -7.148 2.572 297 2HB LEU 39 3HB LEU 39 -10.203 -8.319 1.796 298 HG LEU 39 HG LEU 39 -8.131 -9.338 3.754 299 1HD1 LEU 39 1HD1 LEU 39 -9.050 -7.367 4.910 300 2HD1 LEU 39 2HD1 LEU 39 -10.702 -7.940 4.590 301 3HD1 LEU 39 3HD1 LEU 39 -9.618 -8.872 5.650 302 1HD2 LEU 39 1HD2 LEU 39 -9.961 -10.893 4.369 303 2HD2 LEU 39 2HD2 LEU 39 -11.064 -10.061 3.259 304 3HD2 LEU 39 3HD2 LEU 39 -9.677 -10.968 2.632 305 H ALA 40 H ALA 40 -9.473 -9.368 -0.667 306 HA ALA 40 HA ALA 40 -9.646 -12.127 -0.166 307 1HB ALA 40 1HB ALA 40 -9.576 -10.683 -2.849 308 2HB ALA 40 2HB ALA 40 -10.204 -12.317 -2.559 309 3HB ALA 40 3HB ALA 40 -11.021 -10.915 -1.830 310 H THR 41 H THR 41 -6.998 -10.265 -1.538 311 HA THR 41 HA THR 41 -5.394 -12.740 -1.963 312 HB THR 41 HB THR 41 -6.037 -11.924 -4.106 313 HG1 THR 41 1HG THR 41 -3.422 -11.292 -3.332 314 1HG2 THR 41 1HG2 THR 41 -6.871 -9.749 -3.624 315 2HG2 THR 41 2HG2 THR 41 -5.227 -9.147 -3.303 316 3HG2 THR 41 3HG2 THR 41 -5.713 -9.696 -4.933 317 H ASN 42 H ASN 42 -5.838 -10.600 0.257 318 HA ASN 42 HA ASN 42 -4.730 -8.989 1.428 319 1HB ASN 42 2HB ASN 42 -2.974 -11.459 1.675 320 2HB ASN 42 3HB ASN 42 -2.863 -10.056 2.746 321 1HD2 ASN 42 1HD2 ASN 42 -5.093 -9.293 3.693 322 2HD2 ASN 42 2HD2 ASN 42 -6.072 -10.618 4.312 323 H LYS 43 H LYS 43 -4.290 -8.046 -0.924 324 HA LYS 43 HA LYS 43 -1.402 -7.356 -0.994 325 1HB LYS 43 2HB LYS 43 -1.316 -8.831 -2.674 326 2HB LYS 43 3HB LYS 43 -3.022 -8.745 -3.051 327 1HG LYS 43 2HG LYS 43 -1.255 -6.407 -3.762 328 2HG LYS 43 3HG LYS 43 -1.194 -7.862 -4.737 329 1HD LYS 43 2HD LYS 43 -3.894 -6.609 -4.094 330 2HD LYS 43 3HD LYS 43 -2.888 -5.946 -5.387 331 1HE LYS 43 2HE LYS 43 -3.670 -8.871 -5.204 332 2HE LYS 43 3HE LYS 43 -4.664 -7.661 -6.040 333 1HZ LYS 43 1HZ LYS 43 -1.863 -8.291 -6.786 334 2HZ LYS 43 2HZ LYS 43 -3.210 -8.821 -7.582 335 3HZ LYS 43 3HZ LYS 43 -2.771 -7.224 -7.500 336 H ALA 44 H ALA 44 -0.905 -5.313 -1.589 337 HA ALA 44 HA ALA 44 -3.111 -3.287 -1.836 338 1HB ALA 44 1HB ALA 44 -0.319 -2.980 -0.659 339 2HB ALA 44 2HB ALA 44 -1.497 -1.689 -0.922 340 3HB ALA 44 3HB ALA 44 -1.827 -2.967 0.273 341 H HIS 45 H HIS 45 -3.305 -3.141 -3.970 342 HA HIS 45 HA HIS 45 -0.949 -2.882 -5.803 343 1HB HIS 45 2HB HIS 45 -3.187 -3.983 -6.388 344 2HB HIS 45 3HB HIS 45 -3.897 -2.366 -6.260 345 HD1 HIS 45 1HD HIS 45 -2.254 -4.583 -8.694 346 HD2 HIS 45 2HD HIS 45 -2.406 -0.485 -7.824 347 HE1 HIS 45 1HE HIS 45 -1.794 -3.380 -10.905 348 H ILE 46 H ILE 46 0.241 -1.157 -5.316 349 HA ILE 46 HA ILE 46 -1.199 1.426 -4.978 350 HB ILE 46 HB ILE 46 1.643 0.745 -4.178 351 1HG1 ILE 46 2HG1 ILE 46 -0.970 0.768 -2.601 352 2HG1 ILE 46 3HG1 ILE 46 0.127 -0.611 -2.840 353 1HG2 ILE 46 1HG2 ILE 46 -0.170 3.014 -3.280 354 2HG2 ILE 46 2HG2 ILE 46 1.596 2.896 -3.104 355 3HG2 ILE 46 3HG2 ILE 46 0.883 3.176 -4.694 356 1HD1 ILE 46 1HD1 ILE 46 0.524 0.209 -0.661 357 2HD1 ILE 46 2HD1 ILE 46 1.907 0.650 -1.703 358 3HD1 ILE 46 3HD1 ILE 46 0.678 1.883 -1.251 359 H LYS 47 H LYS 47 -1.145 2.630 -6.750 360 HA LYS 47 HA LYS 47 1.090 2.310 -8.697 361 1HB LYS 47 2HB LYS 47 -1.507 3.793 -8.956 362 2HB LYS 47 3HB LYS 47 -0.203 3.695 -10.162 363 1HG LYS 47 2HG LYS 47 -0.555 1.149 -10.067 364 2HG LYS 47 3HG LYS 47 -2.070 1.508 -9.208 365 1HD LYS 47 2HD LYS 47 -2.656 3.128 -11.085 366 2HD LYS 47 3HD LYS 47 -1.243 2.556 -11.976 367 1HE LYS 47 2HE LYS 47 -3.672 0.933 -11.107 368 2HE LYS 47 3HE LYS 47 -3.285 1.474 -12.757 369 1HZ LYS 47 1HZ LYS 47 -1.894 -0.543 -11.131 370 2HZ LYS 47 2HZ LYS 47 -2.653 -0.765 -12.561 371 3HZ LYS 47 3HZ LYS 47 -1.236 0.077 -12.523 372 H TYR 48 H TYR 48 2.710 3.747 -8.248 373 HA TYR 48 HA TYR 48 2.115 6.490 -7.403 374 1HB TYR 48 2HB TYR 48 2.988 6.436 -5.240 375 2HB TYR 48 3HB TYR 48 1.997 5.000 -5.299 376 HD1 TYR 48 HD1 TYR 48 5.398 6.352 -5.197 377 HD2 TYR 48 HD2 TYR 48 3.106 2.724 -5.368 378 HE1 TYR 48 HE1 TYR 48 7.356 5.094 -4.350 379 HE2 TYR 48 HE2 TYR 48 5.081 1.461 -4.565 380 HH TYR 48 HH TYR 48 8.265 3.013 -4.165 381 H ASP 49 H ASP 49 3.598 7.815 -8.428 382 HA ASP 49 HA ASP 49 5.887 6.721 -9.673 383 1HB ASP 49 2HB ASP 49 5.402 9.640 -9.003 384 2HB ASP 49 3HB ASP 49 6.400 8.979 -10.307 385 HA PRO 50 HA PRO 50 8.245 6.370 -5.955 386 1HB PRO 50 2HB PRO 50 10.845 6.167 -6.920 387 2HB PRO 50 3HB PRO 50 9.632 4.856 -6.934 388 1HG PRO 50 2HG PRO 50 10.320 6.757 -9.189 389 2HG PRO 50 3HG PRO 50 10.126 4.983 -9.264 390 1HD PRO 50 2HD PRO 50 8.109 6.608 -10.003 391 2HD PRO 50 3HD PRO 50 7.754 5.155 -9.005 392 H GLU 51 H GLU 51 9.694 8.669 -8.313 393 HA GLU 51 HA GLU 51 11.384 9.914 -6.530 394 1HB GLU 51 2HB GLU 51 11.531 11.707 -8.233 395 2HB GLU 51 3HB GLU 51 11.672 10.072 -8.886 396 1HG GLU 51 2HG GLU 51 9.234 10.202 -9.601 397 2HG GLU 51 3HG GLU 51 9.233 11.886 -9.048 398 H ILE 52 H ILE 52 7.927 10.411 -6.589 399 HA ILE 52 HA ILE 52 8.219 13.036 -5.205 400 HB ILE 52 HB ILE 52 5.839 13.284 -5.489 401 1HG1 ILE 52 2HG1 ILE 52 5.906 10.688 -7.068 402 2HG1 ILE 52 3HG1 ILE 52 5.166 10.891 -5.475 403 1HG2 ILE 52 1HG2 ILE 52 7.532 14.032 -7.217 404 2HG2 ILE 52 2HG2 ILE 52 7.131 12.576 -8.152 405 3HG2 ILE 52 3HG2 ILE 52 5.895 13.810 -7.836 406 1HD1 ILE 52 1HD1 ILE 52 3.427 10.996 -7.143 407 2HD1 ILE 52 2HD1 ILE 52 3.633 12.632 -6.484 408 3HD1 ILE 52 3HD1 ILE 52 4.294 12.210 -8.083 409 H ILE 53 H ILE 53 8.246 9.799 -4.299 410 HA ILE 53 HA ILE 53 7.417 10.596 -1.583 411 HB ILE 53 HB ILE 53 5.281 10.053 -2.811 412 1HG1 ILE 53 2HG1 ILE 53 6.003 8.204 -0.526 413 2HG1 ILE 53 3HG1 ILE 53 5.508 9.916 -0.401 414 1HG2 ILE 53 1HG2 ILE 53 4.764 7.942 -3.621 415 2HG2 ILE 53 2HG2 ILE 53 6.399 8.201 -4.213 416 3HG2 ILE 53 3HG2 ILE 53 6.129 7.158 -2.794 417 1HD1 ILE 53 1HD1 ILE 53 3.378 9.452 -1.410 418 2HD1 ILE 53 2HD1 ILE 53 3.839 7.750 -1.662 419 3HD1 ILE 53 3HD1 ILE 53 3.634 8.366 -0.022 420 H GLY 54 H GLY 54 8.461 7.881 -3.653 421 1HA GLY 54 2HA GLY 54 10.062 6.355 -3.297 422 2HA GLY 54 1HA GLY 54 10.412 6.996 -1.685 423 HA PRO 55 HA PRO 55 7.653 2.983 -1.644 424 1HB PRO 55 2HB PRO 55 9.715 1.153 -1.038 425 2HB PRO 55 3HB PRO 55 8.960 1.357 -2.622 426 1HG PRO 55 2HG PRO 55 11.567 2.438 -1.620 427 2HG PRO 55 3HG PRO 55 11.139 1.920 -3.276 428 1HD PRO 55 2HD PRO 55 11.319 4.544 -2.504 429 2HD PRO 55 3HD PRO 55 10.202 3.993 -3.782 430 H ARG 56 H ARG 56 10.645 3.705 0.153 431 HA ARG 56 HA ARG 56 10.145 2.454 2.523 432 1HB ARG 56 2HB ARG 56 12.253 3.571 1.933 433 2HB ARG 56 3HB ARG 56 11.486 5.152 2.121 434 1HG ARG 56 2HG ARG 56 12.882 4.626 4.016 435 2HG ARG 56 3HG ARG 56 11.212 4.777 4.546 436 1HD ARG 56 2HD ARG 56 12.522 2.084 3.929 437 2HD ARG 56 3HD ARG 56 12.638 2.875 5.517 438 HE ARG 56 HE ARG 56 9.898 2.799 4.823 439 1HH1 ARG 56 2HH2 ARG 56 12.478 0.484 5.655 440 2HH1 ARG 56 1HH2 ARG 56 11.363 -0.643 6.392 441 1HH2 ARG 56 2HH1 ARG 56 8.518 1.328 5.918 442 2HH2 ARG 56 1HH1 ARG 56 9.109 -0.194 6.484 443 H ASP 57 H ASP 57 8.906 5.686 1.600 444 HA ASP 57 HA ASP 57 7.787 6.393 4.116 445 1HB ASP 57 2HB ASP 57 8.171 8.042 2.363 446 2HB ASP 57 3HB ASP 57 7.080 7.190 1.260 447 H ILE 58 H ILE 58 6.276 4.898 1.198 448 HA ILE 58 HA ILE 58 3.681 4.627 2.367 449 HB ILE 58 HB ILE 58 5.060 3.227 0.038 450 1HG1 ILE 58 2HG1 ILE 58 2.521 4.681 -0.235 451 2HG1 ILE 58 3HG1 ILE 58 3.911 5.701 0.228 452 1HG2 ILE 58 1HG2 ILE 58 2.874 2.279 -0.525 453 2HG2 ILE 58 2HG2 ILE 58 3.586 1.516 0.895 454 3HG2 ILE 58 3HG2 ILE 58 2.270 2.702 1.092 455 1HD1 ILE 58 1HD1 ILE 58 3.688 5.563 -2.221 456 2HD1 ILE 58 2HD1 ILE 58 5.211 4.855 -1.659 457 3HD1 ILE 58 3HD1 ILE 58 3.860 3.799 -2.145 458 H ILE 59 H ILE 59 6.395 2.310 2.068 459 HA ILE 59 HA ILE 59 5.081 0.170 3.398 460 HB ILE 59 HB ILE 59 8.052 0.787 3.343 461 1HG1 ILE 59 2HG1 ILE 59 6.582 -1.145 1.503 462 2HG1 ILE 59 3HG1 ILE 59 6.771 0.542 1.051 463 1HG2 ILE 59 1HG2 ILE 59 7.343 -0.962 5.028 464 2HG2 ILE 59 2HG2 ILE 59 6.586 -1.877 3.727 465 3HG2 ILE 59 3HG2 ILE 59 8.345 -1.635 3.746 466 1HD1 ILE 59 1HD1 ILE 59 8.557 -0.655 0.055 467 2HD1 ILE 59 2HD1 ILE 59 9.253 0.329 1.351 468 3HD1 ILE 59 3HD1 ILE 59 9.025 -1.420 1.584 469 H HIS 60 H HIS 60 7.099 2.849 4.705 470 HA HIS 60 HA HIS 60 7.157 1.971 7.427 471 1HB HIS 60 2HB HIS 60 8.718 3.639 6.525 472 2HB HIS 60 3HB HIS 60 7.380 4.745 6.181 473 HD1 HIS 60 1HD HIS 60 6.395 6.080 8.287 474 HD2 HIS 60 2HD HIS 60 9.483 3.328 9.062 475 HE1 HIS 60 1HE HIS 60 7.174 6.516 10.684 476 H THR 61 H THR 61 4.913 4.045 5.545 477 HA THR 61 HA THR 61 3.303 4.736 7.794 478 HB THR 61 HB THR 61 2.604 4.648 4.843 479 HG1 THR 61 1HG THR 61 4.310 6.027 5.249 480 1HG2 THR 61 1HG2 THR 61 0.931 6.389 5.541 481 2HG2 THR 61 2HG2 THR 61 0.562 4.781 6.182 482 3HG2 THR 61 3HG2 THR 61 1.287 6.018 7.237 483 H ILE 62 H ILE 62 3.085 2.038 5.426 484 HA ILE 62 HA ILE 62 0.697 0.896 6.487 485 HB ILE 62 HB ILE 62 2.961 -0.247 4.833 486 1HG1 ILE 62 2HG1 ILE 62 0.086 0.505 4.116 487 2HG1 ILE 62 3HG1 ILE 62 1.443 1.615 3.926 488 1HG2 ILE 62 1HG2 ILE 62 0.279 -1.511 5.537 489 2HG2 ILE 62 2HG2 ILE 62 1.391 -2.113 4.297 490 3HG2 ILE 62 3HG2 ILE 62 1.900 -2.112 5.974 491 1HD1 ILE 62 1HD1 ILE 62 1.037 0.644 1.802 492 2HD1 ILE 62 2HD1 ILE 62 2.557 -0.036 2.419 493 3HD1 ILE 62 3HD1 ILE 62 1.061 -1.002 2.437 494 H GLU 63 H GLU 63 4.136 0.075 7.199 495 HA GLU 63 HA GLU 63 3.799 -1.775 9.297 496 1HB GLU 63 2HB GLU 63 5.793 0.490 8.919 497 2HB GLU 63 3HB GLU 63 5.941 -0.724 10.183 498 1HG GLU 63 2HG GLU 63 6.318 -2.483 8.610 499 2HG GLU 63 3HG GLU 63 5.849 -1.471 7.240 500 H SER 64 H SER 64 4.141 1.746 9.535 501 HA SER 64 HA SER 64 3.829 2.067 12.266 502 1HB SER 64 2HB SER 64 4.718 3.768 10.804 503 2HB SER 64 3HB SER 64 3.173 3.948 9.965 504 HG SER 64 HG SER 64 3.531 5.561 11.585 505 H LEU 65 H LEU 65 1.165 2.271 9.763 506 HA LEU 65 HA LEU 65 -0.919 2.672 11.634 507 1HB LEU 65 2HB LEU 65 -0.799 1.249 8.951 508 2HB LEU 65 3HB LEU 65 -2.313 1.596 9.788 509 HG LEU 65 HG LEU 65 -0.358 3.858 9.211 510 1HD1 LEU 65 1HD1 LEU 65 -2.403 2.675 7.294 511 2HD1 LEU 65 2HD1 LEU 65 -1.513 4.205 7.076 512 3HD1 LEU 65 3HD1 LEU 65 -0.626 2.670 7.138 513 1HD2 LEU 65 1HD2 LEU 65 -3.380 3.692 9.475 514 2HD2 LEU 65 2HD2 LEU 65 -2.260 4.319 10.707 515 3HD2 LEU 65 3HD2 LEU 65 -2.444 5.174 9.165 516 H GLY 66 H GLY 66 0.364 -0.391 10.230 517 1HA GLY 66 2HA GLY 66 -0.415 -1.841 12.648 518 2HA GLY 66 1HA GLY 66 -1.479 -2.183 11.281 519 H PHE 67 H PHE 67 0.778 -2.052 9.276 520 HA PHE 67 HA PHE 67 0.557 -4.987 9.585 521 1HB PHE 67 2HB PHE 67 0.311 -3.283 7.100 522 2HB PHE 67 3HB PHE 67 -0.353 -4.870 7.391 523 HD1 PHE 67 1HD PHE 67 -0.941 -1.273 7.597 524 HD2 PHE 67 2HD PHE 67 -2.176 -5.046 9.252 525 HE1 PHE 67 1HE PHE 67 -3.125 -0.292 8.195 526 HE2 PHE 67 2HE PHE 67 -4.379 -4.067 9.832 527 HZ PHE 67 HZ PHE 67 -4.925 -1.739 9.113 528 H GLU 68 H GLU 68 2.277 -6.368 8.944 529 HA GLU 68 HA GLU 68 4.691 -5.060 7.890 530 1HB GLU 68 2HB GLU 68 4.419 -8.049 7.956 531 2HB GLU 68 3HB GLU 68 5.797 -7.003 8.220 532 1HG GLU 68 2HG GLU 68 5.440 -7.723 10.368 533 2HG GLU 68 3HG GLU 68 4.454 -6.264 10.406 534 H ALA 69 H ALA 69 5.208 -4.997 5.677 535 HA ALA 69 HA ALA 69 3.458 -6.433 3.794 536 1HB ALA 69 1HB ALA 69 2.292 -4.318 4.318 537 2HB ALA 69 2HB ALA 69 3.746 -3.397 3.867 538 3HB ALA 69 3HB ALA 69 2.862 -4.337 2.641 539 H SER 70 H SER 70 4.310 -6.708 1.771 540 HA SER 70 HA SER 70 7.196 -5.985 1.401 541 1HB SER 70 2HB SER 70 6.709 -8.299 2.393 542 2HB SER 70 3HB SER 70 5.932 -8.704 0.883 543 HG SER 70 HG SER 70 7.800 -8.452 -0.223 544 H LEU 71 H LEU 71 7.141 -4.717 -0.409 545 HA LEU 71 HA LEU 71 5.535 -4.825 -2.738 546 1HB LEU 71 2HB LEU 71 7.525 -4.039 -3.901 547 2HB LEU 71 3HB LEU 71 7.058 -3.101 -2.484 548 HG LEU 71 HG LEU 71 9.049 -5.116 -1.722 549 1HD1 LEU 71 1HD1 LEU 71 10.954 -4.205 -2.971 550 2HD1 LEU 71 2HD1 LEU 71 9.768 -4.913 -4.087 551 3HD1 LEU 71 3HD1 LEU 71 9.868 -3.150 -3.899 552 1HD2 LEU 71 1HD2 LEU 71 9.128 -2.072 -1.753 553 2HD2 LEU 71 2HD2 LEU 71 8.465 -3.066 -0.437 554 3HD2 LEU 71 3HD2 LEU 71 10.193 -3.147 -0.827 555 H VAL 72 H VAL 72 5.027 -6.490 -3.991 556 HA VAL 72 HA VAL 72 6.374 -9.020 -3.843 557 HB VAL 72 HB VAL 72 4.840 -9.777 -5.439 558 1HG1 VAL 72 1HG1 VAL 72 3.329 -7.744 -3.783 559 2HG1 VAL 72 2HG1 VAL 72 2.707 -9.220 -4.534 560 3HG1 VAL 72 3HG1 VAL 72 3.927 -9.328 -3.247 561 1HG2 VAL 72 1HG2 VAL 72 4.227 -6.879 -6.163 562 2HG2 VAL 72 2HG2 VAL 72 4.980 -8.094 -7.200 563 3HG2 VAL 72 3HG2 VAL 72 3.294 -8.288 -6.721 564 H LYS 73 H LYS 73 7.653 -9.973 -5.680 565 HA LYS 73 HA LYS 73 8.880 -7.943 -7.529 566 1HB LYS 73 2HB LYS 73 10.023 -10.345 -6.139 567 2HB LYS 73 3HB LYS 73 10.508 -10.017 -7.797 568 1HG LYS 73 2HG LYS 73 12.076 -8.932 -6.350 569 2HG LYS 73 3HG LYS 73 11.196 -7.774 -7.319 570 1HD LYS 73 2HD LYS 73 11.455 -6.860 -5.135 571 2HD LYS 73 3HD LYS 73 9.741 -7.193 -5.371 572 1HE LYS 73 2HE LYS 73 9.987 -9.323 -4.065 573 2HE LYS 73 3HE LYS 73 11.726 -9.023 -3.900 574 1HZ LYS 73 1HZ LYS 73 11.151 -7.017 -2.656 575 2HZ LYS 73 2HZ LYS 73 9.549 -7.382 -2.798 576 3HZ LYS 73 3HZ LYS 73 10.539 -8.370 -1.942 577 H ILE 74 H ILE 74 7.030 -7.950 -8.775 578 HA ILE 74 HA ILE 74 6.564 -10.317 -10.493 579 HB ILE 74 HB ILE 74 5.271 -8.630 -11.886 580 1HG1 ILE 74 2HG1 ILE 74 5.478 -6.893 -9.371 581 2HG1 ILE 74 3HG1 ILE 74 6.177 -6.527 -10.958 582 1HG2 ILE 74 1HG2 ILE 74 4.289 -10.357 -10.428 583 2HG2 ILE 74 2HG2 ILE 74 4.303 -9.226 -9.066 584 3HG2 ILE 74 3HG2 ILE 74 3.285 -8.913 -10.488 585 1HD1 ILE 74 1HD1 ILE 74 3.228 -6.683 -10.253 586 2HD1 ILE 74 2HD1 ILE 74 4.172 -5.268 -10.721 587 3HD1 ILE 74 3HD1 ILE 74 3.857 -6.541 -11.917 588 H GLU 75 H GLU 75 8.133 -7.127 -10.611 589 HA GLU 75 HA GLU 75 9.648 -6.196 -11.953 590 1HB GLU 75 2HB GLU 75 10.820 -9.001 -12.071 591 2HB GLU 75 3HB GLU 75 11.652 -7.489 -12.450 592 1HG GLU 75 2HG GLU 75 11.200 -6.687 -10.100 593 2HG GLU 75 3HG GLU 75 10.509 -8.279 -9.729 Start of MODEL 11 1 1H MET 1 H1 MET 1 7.761 4.632 -14.567 2 2H MET 1 H2 MET 1 7.928 6.226 -14.136 3 3H MET 1 H3 MET 1 6.530 5.673 -14.674 4 HA MET 1 HA MET 1 7.867 6.896 -16.435 5 1HB MET 1 2HB MET 1 10.009 5.701 -16.175 6 2HB MET 1 3HB MET 1 9.214 4.151 -16.492 7 1HG MET 1 2HG MET 1 8.616 4.935 -18.791 8 2HG MET 1 3HG MET 1 9.448 6.462 -18.467 9 1HE MET 1 1HE MET 1 11.609 4.660 -21.204 10 2HE MET 1 2HE MET 1 9.842 4.594 -21.038 11 3HE MET 1 3HE MET 1 10.704 6.133 -20.787 12 H GLY 2 H GLY 2 5.797 7.018 -17.247 13 1HA GLY 2 2HA GLY 2 3.634 6.301 -17.602 14 2HA GLY 2 1HA GLY 2 4.217 4.680 -18.048 15 H ASP 3 H ASP 3 2.313 4.151 -16.420 16 HA ASP 3 HA ASP 3 2.281 4.623 -13.777 17 1HB ASP 3 2HB ASP 3 1.759 1.960 -15.159 18 2HB ASP 3 3HB ASP 3 1.134 2.478 -13.591 19 H GLY 4 H GLY 4 4.331 4.734 -12.635 20 1HA GLY 4 2HA GLY 4 5.839 2.318 -12.077 21 2HA GLY 4 1HA GLY 4 5.671 3.750 -11.052 22 H VAL 5 H VAL 5 5.541 1.082 -9.975 23 HA VAL 5 HA VAL 5 2.849 1.029 -8.879 24 HB VAL 5 HB VAL 5 2.530 -0.136 -11.010 25 1HG1 VAL 5 1HG1 VAL 5 3.640 -2.245 -11.535 26 2HG1 VAL 5 2HG1 VAL 5 4.829 -0.940 -11.428 27 3HG1 VAL 5 3HG1 VAL 5 4.667 -2.106 -10.098 28 1HG2 VAL 5 1HG2 VAL 5 1.285 -0.894 -8.987 29 2HG2 VAL 5 2HG2 VAL 5 1.537 -2.174 -10.191 30 3HG2 VAL 5 3HG2 VAL 5 2.529 -2.141 -8.727 31 H LEU 6 H LEU 6 2.700 -0.068 -7.002 32 HA LEU 6 HA LEU 6 5.042 -1.500 -5.889 33 1HB LEU 6 2HB LEU 6 4.425 0.892 -4.954 34 2HB LEU 6 3HB LEU 6 3.048 0.074 -4.268 35 HG LEU 6 HG LEU 6 4.836 -1.574 -3.255 36 1HD1 LEU 6 1HD1 LEU 6 6.491 0.920 -3.919 37 2HD1 LEU 6 2HD1 LEU 6 7.014 -0.356 -2.819 38 3HD1 LEU 6 3HD1 LEU 6 6.790 -0.716 -4.543 39 1HD2 LEU 6 1HD2 LEU 6 3.454 -0.024 -1.928 40 2HD2 LEU 6 2HD2 LEU 6 5.119 -0.038 -1.320 41 3HD2 LEU 6 3HD2 LEU 6 4.559 1.313 -2.321 42 H GLU 7 H GLU 7 4.351 -3.651 -5.796 43 HA GLU 7 HA GLU 7 1.575 -4.162 -4.833 44 1HB GLU 7 2HB GLU 7 3.064 -5.684 -6.989 45 2HB GLU 7 3HB GLU 7 1.790 -6.432 -5.994 46 1HG GLU 7 2HG GLU 7 0.262 -4.549 -6.556 47 2HG GLU 7 3HG GLU 7 1.605 -3.872 -7.480 48 H LEU 8 H LEU 8 1.833 -4.529 -2.823 49 HA LEU 8 HA LEU 8 3.798 -6.594 -2.062 50 1HB LEU 8 2HB LEU 8 3.993 -5.463 0.160 51 2HB LEU 8 3HB LEU 8 4.648 -4.577 -1.212 52 HG LEU 8 HG LEU 8 2.429 -3.211 -1.190 53 1HD1 LEU 8 1HD1 LEU 8 2.419 -4.446 1.616 54 2HD1 LEU 8 2HD1 LEU 8 1.551 -2.971 1.171 55 3HD1 LEU 8 3HD1 LEU 8 1.100 -4.500 0.436 56 1HD2 LEU 8 1HD2 LEU 8 4.444 -2.951 1.057 57 2HD2 LEU 8 2HD2 LEU 8 4.692 -2.395 -0.612 58 3HD2 LEU 8 3HD2 LEU 8 3.429 -1.662 0.379 59 H VAL 9 H VAL 9 3.135 -8.177 -0.761 60 HA VAL 9 HA VAL 9 0.282 -8.479 -0.192 61 HB VAL 9 HB VAL 9 2.738 -10.174 0.263 62 1HG1 VAL 9 1HG1 VAL 9 1.247 -11.864 1.336 63 2HG1 VAL 9 2HG1 VAL 9 1.471 -10.434 2.348 64 3HG1 VAL 9 3HG1 VAL 9 -0.040 -10.647 1.437 65 1HG2 VAL 9 1HG2 VAL 9 1.490 -10.182 -1.940 66 2HG2 VAL 9 2HG2 VAL 9 1.472 -11.757 -1.120 67 3HG2 VAL 9 3HG2 VAL 9 0.039 -10.711 -1.076 68 H VAL 10 H VAL 10 -0.579 -8.069 1.798 69 HA VAL 10 HA VAL 10 1.111 -6.779 3.871 70 HB VAL 10 HB VAL 10 -0.003 -5.113 2.466 71 1HG1 VAL 10 1HG1 VAL 10 -1.956 -6.266 1.665 72 2HG1 VAL 10 2HG1 VAL 10 -2.651 -6.311 3.295 73 3HG1 VAL 10 3HG1 VAL 10 -2.402 -4.763 2.469 74 1HG2 VAL 10 1HG2 VAL 10 -1.055 -3.838 4.299 75 2HG2 VAL 10 2HG2 VAL 10 -1.094 -5.307 5.290 76 3HG2 VAL 10 3HG2 VAL 10 0.459 -4.616 4.800 77 H ARG 11 H ARG 11 0.871 -7.771 5.778 78 HA ARG 11 HA ARG 11 -1.086 -9.999 5.908 79 1HB ARG 11 2HB ARG 11 1.486 -9.438 7.425 80 2HB ARG 11 3HB ARG 11 0.521 -10.915 7.560 81 1HG ARG 11 2HG ARG 11 0.957 -11.480 5.216 82 2HG ARG 11 3HG ARG 11 1.829 -9.948 4.972 83 1HD ARG 11 2HD ARG 11 3.451 -10.585 6.716 84 2HD ARG 11 3HD ARG 11 2.683 -12.161 6.893 85 HE ARG 11 HE ARG 11 3.231 -12.670 4.561 86 1HH1 ARG 11 2HH2 ARG 11 5.417 -10.376 6.214 87 2HH1 ARG 11 1HH2 ARG 11 6.242 -9.951 4.719 88 1HH2 ARG 11 2HH1 ARG 11 4.757 -12.457 2.788 89 2HH2 ARG 11 1HH1 ARG 11 6.010 -11.233 2.953 90 H GLY 12 H GLY 12 -2.356 -10.378 7.698 91 1HA GLY 12 2HA GLY 12 -3.183 -10.129 9.890 92 2HA GLY 12 1HA GLY 12 -2.287 -8.609 10.085 93 H MET 13 H MET 13 -2.809 -7.236 7.959 94 HA MET 13 HA MET 13 -5.045 -5.868 7.744 95 1HB MET 13 2HB MET 13 -2.863 -6.059 6.320 96 2HB MET 13 3HB MET 13 -3.803 -7.078 5.237 97 1HG MET 13 2HG MET 13 -4.388 -4.259 6.150 98 2HG MET 13 3HG MET 13 -3.695 -4.683 4.592 99 1HE MET 13 1HE MET 13 -5.631 -7.193 3.695 100 2HE MET 13 2HE MET 13 -6.748 -6.238 2.699 101 3HE MET 13 3HE MET 13 -5.004 -5.900 2.642 102 H THR 14 H THR 14 -7.172 -6.443 7.852 103 HA THR 14 HA THR 14 -8.271 -8.141 5.796 104 HB THR 14 HB THR 14 -7.574 -9.819 7.494 105 HG1 THR 14 1HG THR 14 -9.629 -10.771 7.604 106 1HG2 THR 14 1HG2 THR 14 -9.576 -8.450 9.356 107 2HG2 THR 14 2HG2 THR 14 -8.626 -9.910 9.686 108 3HG2 THR 14 3HG2 THR 14 -7.813 -8.344 9.527 109 H CYS 15 H CYS 15 -10.596 -8.171 5.945 110 HA CYS 15 HA CYS 15 -12.556 -7.097 5.794 111 1HB CYS 15 2HB CYS 15 -11.779 -6.247 8.605 112 2HB CYS 15 3HB CYS 15 -13.339 -5.843 7.868 113 HG CYS 15 HG CYS 15 -13.664 -7.844 9.432 114 H ALA 16 H ALA 16 -13.728 -5.216 5.435 115 HA ALA 16 HA ALA 16 -12.690 -3.247 3.850 116 1HB ALA 16 1HB ALA 16 -14.737 -1.982 4.344 117 2HB ALA 16 2HB ALA 16 -15.077 -3.707 4.110 118 3HB ALA 16 3HB ALA 16 -15.052 -3.020 5.751 119 H SER 17 H SER 17 -12.861 -3.294 7.387 120 HA SER 17 HA SER 17 -12.264 -0.661 8.087 121 1HB SER 17 2HB SER 17 -11.398 -1.970 10.151 122 2HB SER 17 3HB SER 17 -13.107 -2.113 9.678 123 HG SER 17 HG SER 17 -11.123 -3.939 8.769 124 H CYS 18 H CYS 18 -9.944 -3.398 7.308 125 HA CYS 18 HA CYS 18 -7.677 -1.689 8.201 126 1HB CYS 18 2HB CYS 18 -7.743 -4.409 6.851 127 2HB CYS 18 3HB CYS 18 -6.283 -3.472 7.218 128 HG CYS 18 HG CYS 18 -8.568 -4.570 9.290 129 H VAL 19 H VAL 19 -9.277 -2.992 5.337 130 HA VAL 19 HA VAL 19 -7.679 -2.073 3.340 131 HB VAL 19 HB VAL 19 -10.562 -2.733 3.666 132 1HG1 VAL 19 1HG1 VAL 19 -11.026 -2.464 1.259 133 2HG1 VAL 19 2HG1 VAL 19 -10.955 -0.960 2.169 134 3HG1 VAL 19 3HG1 VAL 19 -9.577 -1.434 1.127 135 1HG2 VAL 19 1HG2 VAL 19 -8.870 -4.472 3.403 136 2HG2 VAL 19 2HG2 VAL 19 -10.033 -4.462 2.068 137 3HG2 VAL 19 3HG2 VAL 19 -8.406 -3.792 1.826 138 H HIS 20 H HIS 20 -10.602 -0.220 4.459 139 HA HIS 20 HA HIS 20 -9.819 1.959 2.868 140 1HB HIS 20 2HB HIS 20 -11.626 3.177 3.491 141 2HB HIS 20 3HB HIS 20 -12.146 1.491 3.424 142 HD1 HIS 20 1HD HIS 20 -13.430 4.022 5.237 143 HD2 HIS 20 2HD HIS 20 -11.051 0.789 6.381 144 HE1 HIS 20 1HE HIS 20 -13.853 3.679 7.739 145 H LYS 21 H LYS 21 -9.090 1.147 6.233 146 HA LYS 21 HA LYS 21 -8.148 3.655 7.183 147 1HB LYS 21 2HB LYS 21 -8.493 1.783 8.675 148 2HB LYS 21 3HB LYS 21 -7.329 0.791 7.790 149 1HG LYS 21 2HG LYS 21 -5.510 2.391 8.486 150 2HG LYS 21 3HG LYS 21 -6.704 3.223 9.500 151 1HD LYS 21 2HD LYS 21 -7.122 1.079 10.722 152 2HD LYS 21 3HD LYS 21 -5.973 0.262 9.645 153 1HE LYS 21 2HE LYS 21 -4.210 1.947 10.455 154 2HE LYS 21 3HE LYS 21 -5.345 2.436 11.710 155 1HZ LYS 21 1HZ LYS 21 -3.641 0.704 12.290 156 2HZ LYS 21 2HZ LYS 21 -5.199 0.277 12.653 157 3HZ LYS 21 3HZ LYS 21 -4.423 -0.346 11.338 158 H ILE 22 H ILE 22 -6.417 0.923 5.580 159 HA ILE 22 HA ILE 22 -3.909 2.215 5.284 160 HB ILE 22 HB ILE 22 -5.309 0.079 3.618 161 1HG1 ILE 22 2HG1 ILE 22 -3.032 0.095 5.581 162 2HG1 ILE 22 3HG1 ILE 22 -4.660 -0.499 5.921 163 1HG2 ILE 22 1HG2 ILE 22 -3.702 1.275 2.121 164 2HG2 ILE 22 2HG2 ILE 22 -2.446 1.124 3.366 165 3HG2 ILE 22 3HG2 ILE 22 -3.080 -0.301 2.519 166 1HD1 ILE 22 1HD1 ILE 22 -2.669 -1.785 4.000 167 2HD1 ILE 22 2HD1 ILE 22 -3.214 -2.389 5.552 168 3HD1 ILE 22 3HD1 ILE 22 -4.370 -2.274 4.221 169 H GLU 23 H GLU 23 -6.583 1.970 2.863 170 HA GLU 23 HA GLU 23 -5.026 3.444 1.053 171 1HB GLU 23 2HB GLU 23 -6.794 3.164 -0.488 172 2HB GLU 23 3HB GLU 23 -6.947 1.802 0.648 173 1HG GLU 23 2HG GLU 23 -9.096 2.494 0.377 174 2HG GLU 23 3HG GLU 23 -8.534 3.183 1.926 175 H SER 24 H SER 24 -7.661 4.586 3.161 176 HA SER 24 HA SER 24 -7.658 7.262 2.203 177 1HB SER 24 2HB SER 24 -9.464 6.249 3.522 178 2HB SER 24 3HB SER 24 -8.408 6.168 4.951 179 HG SER 24 HG SER 24 -9.832 8.049 4.809 180 H SER 25 H SER 25 -5.890 5.652 4.915 181 HA SER 25 HA SER 25 -4.532 7.969 5.813 182 1HB SER 25 2HB SER 25 -4.614 5.793 7.037 183 2HB SER 25 3HB SER 25 -3.482 5.118 5.837 184 HG SER 25 HG SER 25 -3.066 7.309 7.613 185 H LEU 26 H LEU 26 -3.637 5.626 3.178 186 HA LEU 26 HA LEU 26 -1.181 7.074 2.747 187 1HB LEU 26 2HB LEU 26 -2.407 5.173 0.810 188 2HB LEU 26 3HB LEU 26 -0.767 5.919 0.810 189 HG LEU 26 HG LEU 26 -1.605 4.352 3.231 190 1HD1 LEU 26 1HD1 LEU 26 -0.601 2.339 2.089 191 2HD1 LEU 26 2HD1 LEU 26 -2.146 2.860 1.410 192 3HD1 LEU 26 3HD1 LEU 26 -0.630 3.260 0.571 193 1HD2 LEU 26 1HD2 LEU 26 0.512 5.649 3.249 194 2HD2 LEU 26 2HD2 LEU 26 0.813 3.904 3.303 195 3HD2 LEU 26 3HD2 LEU 26 1.051 4.803 1.791 196 H THR 27 H THR 27 -4.161 6.904 0.675 197 HA THR 27 HA THR 27 -3.208 8.260 -1.403 198 HB THR 27 HB THR 27 -6.048 8.463 -0.359 199 HG1 THR 27 1HG THR 27 -5.826 6.372 -0.550 200 1HG2 THR 27 1HG2 THR 27 -4.899 8.586 -3.194 201 2HG2 THR 27 2HG2 THR 27 -6.624 8.491 -2.785 202 3HG2 THR 27 3HG2 THR 27 -5.689 9.929 -2.336 203 H LYS 28 H LYS 28 -4.333 9.906 1.508 204 HA LYS 28 HA LYS 28 -4.350 12.575 0.838 205 1HB LYS 28 2HB LYS 28 -3.778 13.010 3.141 206 2HB LYS 28 3HB LYS 28 -4.841 11.601 3.017 207 1HG LYS 28 2HG LYS 28 -3.420 10.722 4.498 208 2HG LYS 28 3HG LYS 28 -2.553 10.303 3.030 209 1HD LYS 28 2HD LYS 28 -1.551 12.853 3.690 210 2HD LYS 28 3HD LYS 28 -1.798 12.099 5.260 211 1HE LYS 28 2HE LYS 28 -0.120 11.116 2.930 212 2HE LYS 28 3HE LYS 28 0.499 11.695 4.470 213 1HZ LYS 28 1HZ LYS 28 0.450 9.212 4.088 214 2HZ LYS 28 2HZ LYS 28 -0.253 9.715 5.503 215 3HZ LYS 28 3HZ LYS 28 -1.174 9.276 4.230 216 H HIS 29 H HIS 29 -1.444 10.546 0.820 217 HA HIS 29 HA HIS 29 0.582 12.543 0.899 218 1HB HIS 29 2HB HIS 29 0.419 9.938 -0.667 219 2HB HIS 29 3HB HIS 29 1.867 10.926 -0.546 220 HD1 HIS 29 1HD HIS 29 3.112 10.979 1.918 221 HD2 HIS 29 2HD HIS 29 0.209 8.055 1.190 222 HE1 HIS 29 1HE HIS 29 3.316 9.134 3.728 223 H ARG 30 H ARG 30 -1.550 11.435 -1.730 224 HA ARG 30 HA ARG 30 -1.902 12.032 -3.837 225 1HB ARG 30 2HB ARG 30 -0.200 14.502 -3.376 226 2HB ARG 30 3HB ARG 30 -1.277 14.186 -4.735 227 1HG ARG 30 2HG ARG 30 -3.239 14.227 -3.309 228 2HG ARG 30 3HG ARG 30 -2.255 14.336 -1.846 229 1HD ARG 30 2HD ARG 30 -3.225 16.498 -2.467 230 2HD ARG 30 3HD ARG 30 -1.480 16.552 -2.384 231 HE ARG 30 HE ARG 30 -3.248 16.715 -4.772 232 1HH1 ARG 30 2HH2 ARG 30 0.100 16.583 -3.635 233 2HH1 ARG 30 1HH2 ARG 30 0.786 17.242 -5.085 234 1HH2 ARG 30 2HH1 ARG 30 -2.362 17.562 -6.719 235 2HH2 ARG 30 1HH1 ARG 30 -0.652 17.789 -6.882 236 H GLY 31 H GLY 31 1.106 11.178 -2.667 237 1HA GLY 31 2HA GLY 31 2.551 11.050 -5.204 238 2HA GLY 31 1HA GLY 31 2.972 10.295 -3.676 239 H ILE 32 H ILE 32 0.338 9.058 -3.279 240 HA ILE 32 HA ILE 32 0.651 6.733 -5.065 241 HB ILE 32 HB ILE 32 -1.236 7.214 -2.708 242 1HG1 ILE 32 2HG1 ILE 32 0.145 5.354 -1.661 243 2HG1 ILE 32 3HG1 ILE 32 1.398 5.684 -2.875 244 1HG2 ILE 32 1HG2 ILE 32 -1.444 4.644 -2.978 245 2HG2 ILE 32 2HG2 ILE 32 -2.275 5.669 -4.169 246 3HG2 ILE 32 3HG2 ILE 32 -0.742 4.889 -4.585 247 1HD1 ILE 32 1HD1 ILE 32 1.594 6.793 -0.551 248 2HD1 ILE 32 2HD1 ILE 32 1.721 7.918 -1.908 249 3HD1 ILE 32 3HD1 ILE 32 0.187 7.763 -1.015 250 H LEU 33 H LEU 33 -0.448 6.786 -6.932 251 HA LEU 33 HA LEU 33 -2.552 8.783 -7.470 252 1HB LEU 33 2HB LEU 33 -1.442 6.577 -9.242 253 2HB LEU 33 3HB LEU 33 -2.372 7.995 -9.746 254 HG LEU 33 HG LEU 33 0.465 7.992 -8.591 255 1HD1 LEU 33 1HD1 LEU 33 0.290 7.164 -10.906 256 2HD1 LEU 33 2HD1 LEU 33 -0.579 8.642 -11.375 257 3HD1 LEU 33 3HD1 LEU 33 1.110 8.732 -10.836 258 1HD2 LEU 33 1HD2 LEU 33 -0.649 10.053 -7.871 259 2HD2 LEU 33 2HD2 LEU 33 0.469 10.416 -9.190 260 3HD2 LEU 33 3HD2 LEU 33 -1.274 10.324 -9.515 261 H TYR 34 H TYR 34 -2.289 5.269 -6.843 262 HA TYR 34 HA TYR 34 -5.190 5.125 -6.586 263 1HB TYR 34 2HB TYR 34 -4.306 4.614 -9.045 264 2HB TYR 34 3HB TYR 34 -3.673 3.131 -8.321 265 HD1 TYR 34 HD1 TYR 34 -6.840 5.151 -8.272 266 HD2 TYR 34 HD2 TYR 34 -5.016 1.262 -8.691 267 HE1 TYR 34 HE1 TYR 34 -9.040 4.169 -8.585 268 HE2 TYR 34 HE2 TYR 34 -7.218 0.273 -9.105 269 HH TYR 34 HH TYR 34 -10.248 2.209 -9.036 270 H CYS 35 H CYS 35 -5.647 3.701 -4.905 271 HA CYS 35 HA CYS 35 -3.378 2.151 -3.689 272 1HB CYS 35 2HB CYS 35 -3.708 4.501 -2.756 273 2HB CYS 35 3HB CYS 35 -5.288 3.985 -2.168 274 HG CYS 35 HG CYS 35 -4.557 2.313 -0.524 275 H SER 36 H SER 36 -4.614 0.509 -4.944 276 HA SER 36 HA SER 36 -7.268 -0.233 -3.854 277 1HB SER 36 2HB SER 36 -5.602 -1.340 -6.133 278 2HB SER 36 3HB SER 36 -7.166 -1.999 -5.609 279 HG SER 36 HG SER 36 -6.742 0.721 -6.315 280 H VAL 37 H VAL 37 -6.832 -0.875 -1.790 281 HA VAL 37 HA VAL 37 -4.892 -2.996 -1.249 282 HB VAL 37 HB VAL 37 -7.011 -1.945 0.675 283 1HG1 VAL 37 1HG1 VAL 37 -5.720 -4.040 1.219 284 2HG1 VAL 37 2HG1 VAL 37 -4.220 -3.094 1.051 285 3HG1 VAL 37 3HG1 VAL 37 -5.402 -2.684 2.315 286 1HG2 VAL 37 1HG2 VAL 37 -4.228 -0.825 0.128 287 2HG2 VAL 37 2HG2 VAL 37 -5.759 0.010 -0.205 288 3HG2 VAL 37 3HG2 VAL 37 -5.330 -0.374 1.448 289 H ALA 38 H ALA 38 -5.387 -4.582 -2.580 290 HA ALA 38 HA ALA 38 -8.103 -5.621 -2.926 291 1HB ALA 38 1HB ALA 38 -5.399 -6.504 -4.004 292 2HB ALA 38 2HB ALA 38 -6.977 -7.175 -4.483 293 3HB ALA 38 3HB ALA 38 -6.587 -5.479 -4.833 294 H LEU 39 H LEU 39 -8.293 -5.956 -0.657 295 HA LEU 39 HA LEU 39 -7.344 -7.780 1.088 296 1HB LEU 39 2HB LEU 39 -9.600 -6.381 0.918 297 2HB LEU 39 3HB LEU 39 -10.282 -7.899 0.363 298 HG LEU 39 HG LEU 39 -9.005 -7.257 3.056 299 1HD1 LEU 39 1HD1 LEU 39 -11.286 -7.842 3.868 300 2HD1 LEU 39 2HD1 LEU 39 -11.320 -6.492 2.720 301 3HD1 LEU 39 3HD1 LEU 39 -11.804 -8.122 2.201 302 1HD2 LEU 39 1HD2 LEU 39 -9.674 -9.583 3.743 303 2HD2 LEU 39 2HD2 LEU 39 -9.919 -9.978 2.030 304 3HD2 LEU 39 3HD2 LEU 39 -8.303 -9.530 2.643 305 H ALA 40 H ALA 40 -9.177 -8.590 -1.866 306 HA ALA 40 HA ALA 40 -9.592 -11.343 -1.471 307 1HB ALA 40 1HB ALA 40 -9.005 -9.861 -4.070 308 2HB ALA 40 2HB ALA 40 -9.755 -11.463 -3.929 309 3HB ALA 40 3HB ALA 40 -10.603 -10.033 -3.304 310 H THR 41 H THR 41 -6.691 -9.611 -2.469 311 HA THR 41 HA THR 41 -5.115 -12.142 -2.672 312 HB THR 41 HB THR 41 -3.577 -10.536 -4.003 313 HG1 THR 41 1HG THR 41 -5.157 -8.715 -3.232 314 1HG2 THR 41 1HG2 THR 41 -6.324 -11.212 -5.149 315 2HG2 THR 41 2HG2 THR 41 -4.865 -10.833 -6.084 316 3HG2 THR 41 3HG2 THR 41 -4.923 -12.303 -5.092 317 H ASN 42 H ASN 42 -5.901 -10.094 -0.354 318 HA ASN 42 HA ASN 42 -4.883 -8.824 1.233 319 1HB ASN 42 2HB ASN 42 -4.124 -11.630 1.311 320 2HB ASN 42 3HB ASN 42 -2.805 -10.688 1.987 321 1HD2 ASN 42 1HD2 ASN 42 -3.354 -9.070 3.682 322 2HD2 ASN 42 2HD2 ASN 42 -4.784 -9.348 4.688 323 H LYS 43 H LYS 43 -4.206 -7.740 -1.065 324 HA LYS 43 HA LYS 43 -1.340 -7.062 -0.735 325 1HB LYS 43 2HB LYS 43 -1.164 -8.567 -2.463 326 2HB LYS 43 3HB LYS 43 -2.757 -8.219 -3.106 327 1HG LYS 43 2HG LYS 43 -0.608 -6.085 -3.369 328 2HG LYS 43 3HG LYS 43 -0.523 -7.492 -4.386 329 1HD LYS 43 2HD LYS 43 -3.059 -5.810 -4.172 330 2HD LYS 43 3HD LYS 43 -1.728 -5.436 -5.276 331 1HE LYS 43 2HE LYS 43 -3.228 -8.074 -5.236 332 2HE LYS 43 3HE LYS 43 -3.693 -6.734 -6.254 333 1HZ LYS 43 1HZ LYS 43 -2.320 -8.248 -7.474 334 2HZ LYS 43 2HZ LYS 43 -1.511 -6.840 -7.322 335 3HZ LYS 43 3HZ LYS 43 -1.088 -8.118 -6.397 336 H ALA 44 H ALA 44 -0.697 -5.037 -1.340 337 HA ALA 44 HA ALA 44 -2.869 -3.004 -1.763 338 1HB ALA 44 1HB ALA 44 -0.020 -2.608 -0.794 339 2HB ALA 44 2HB ALA 44 -1.285 -1.380 -0.989 340 3HB ALA 44 3HB ALA 44 -1.460 -2.636 0.251 341 H HIS 45 H HIS 45 -3.186 -2.906 -3.921 342 HA HIS 45 HA HIS 45 -0.825 -2.755 -5.740 343 1HB HIS 45 2HB HIS 45 -2.883 -4.060 -6.474 344 2HB HIS 45 3HB HIS 45 -3.770 -2.549 -6.405 345 HD1 HIS 45 1HD HIS 45 -1.535 -4.518 -8.692 346 HD2 HIS 45 2HD HIS 45 -2.414 -0.500 -7.885 347 HE1 HIS 45 1HE HIS 45 -0.762 -3.197 -10.722 348 H ILE 46 H ILE 46 0.193 -1.006 -5.212 349 HA ILE 46 HA ILE 46 -1.309 1.549 -4.956 350 HB ILE 46 HB ILE 46 1.050 0.379 -3.545 351 1HG1 ILE 46 2HG1 ILE 46 -1.236 2.181 -2.700 352 2HG1 ILE 46 3HG1 ILE 46 -1.353 0.410 -2.768 353 1HG2 ILE 46 1HG2 ILE 46 2.114 2.395 -4.367 354 2HG2 ILE 46 2HG2 ILE 46 0.644 3.344 -4.104 355 3HG2 ILE 46 3HG2 ILE 46 1.573 2.751 -2.730 356 1HD1 ILE 46 1HD1 ILE 46 -0.897 0.989 -0.521 357 2HD1 ILE 46 2HD1 ILE 46 0.596 0.280 -1.192 358 3HD1 ILE 46 3HD1 ILE 46 0.445 2.047 -0.984 359 H LYS 47 H LYS 47 -1.296 2.567 -6.814 360 HA LYS 47 HA LYS 47 0.992 2.378 -8.705 361 1HB LYS 47 2HB LYS 47 -1.666 3.795 -8.680 362 2HB LYS 47 3HB LYS 47 -0.447 4.125 -9.911 363 1HG LYS 47 2HG LYS 47 -1.613 1.347 -9.393 364 2HG LYS 47 3HG LYS 47 -2.237 2.505 -10.581 365 1HD LYS 47 2HD LYS 47 0.224 2.593 -11.497 366 2HD LYS 47 3HD LYS 47 0.496 1.153 -10.522 367 1HE LYS 47 2HE LYS 47 0.040 0.444 -12.756 368 2HE LYS 47 3HE LYS 47 -1.340 -0.027 -11.755 369 1HZ LYS 47 1HZ LYS 47 -1.975 0.961 -13.879 370 2HZ LYS 47 2HZ LYS 47 -2.535 1.885 -12.636 371 3HZ LYS 47 3HZ LYS 47 -1.234 2.353 -13.517 372 H TYR 48 H TYR 48 2.730 3.604 -8.244 373 HA TYR 48 HA TYR 48 2.435 6.377 -7.433 374 1HB TYR 48 2HB TYR 48 3.698 6.311 -5.511 375 2HB TYR 48 3HB TYR 48 2.798 4.823 -5.292 376 HD1 TYR 48 HD1 TYR 48 4.043 2.669 -6.456 377 HD2 TYR 48 HD2 TYR 48 6.033 6.306 -5.310 378 HE1 TYR 48 HE1 TYR 48 6.242 1.541 -6.629 379 HE2 TYR 48 HE2 TYR 48 8.199 5.138 -5.326 380 HH TYR 48 HH TYR 48 8.520 1.781 -6.503 381 H ASP 49 H ASP 49 4.661 7.400 -7.854 382 HA ASP 49 HA ASP 49 6.342 5.730 -9.648 383 1HB ASP 49 2HB ASP 49 4.877 8.091 -10.460 384 2HB ASP 49 3HB ASP 49 6.590 8.405 -10.567 385 HA PRO 50 HA PRO 50 9.168 6.856 -6.518 386 1HB PRO 50 2HB PRO 50 11.555 6.085 -7.546 387 2HB PRO 50 3HB PRO 50 10.228 4.931 -7.250 388 1HG PRO 50 2HG PRO 50 10.875 6.322 -9.871 389 2HG PRO 50 3HG PRO 50 10.694 4.563 -9.593 390 1HD PRO 50 2HD PRO 50 8.615 6.059 -10.494 391 2HD PRO 50 3HD PRO 50 8.352 4.774 -9.274 392 H GLU 51 H GLU 51 8.414 9.084 -7.015 393 HA GLU 51 HA GLU 51 10.654 10.933 -7.082 394 1HB GLU 51 2HB GLU 51 9.665 12.286 -9.009 395 2HB GLU 51 3HB GLU 51 10.567 10.829 -9.432 396 1HG GLU 51 2HG GLU 51 8.539 9.592 -9.891 397 2HG GLU 51 3HG GLU 51 7.520 10.928 -9.319 398 H ILE 52 H ILE 52 7.103 10.527 -7.294 399 HA ILE 52 HA ILE 52 6.645 13.035 -5.818 400 HB ILE 52 HB ILE 52 4.263 12.348 -5.985 401 1HG1 ILE 52 2HG1 ILE 52 5.302 10.175 -7.882 402 2HG1 ILE 52 3HG1 ILE 52 4.483 9.918 -6.335 403 1HG2 ILE 52 1HG2 ILE 52 5.730 12.599 -8.651 404 2HG2 ILE 52 2HG2 ILE 52 4.074 13.135 -8.291 405 3HG2 ILE 52 3HG2 ILE 52 5.439 13.941 -7.527 406 1HD1 ILE 52 1HD1 ILE 52 3.342 11.085 -8.911 407 2HD1 ILE 52 2HD1 ILE 52 2.912 9.571 -8.122 408 3HD1 ILE 52 3HD1 ILE 52 2.455 11.112 -7.373 409 H ILE 53 H ILE 53 6.990 9.584 -5.238 410 HA ILE 53 HA ILE 53 7.375 10.172 -2.487 411 HB ILE 53 HB ILE 53 4.828 9.886 -2.693 412 1HG1 ILE 53 2HG1 ILE 53 6.317 7.999 -0.875 413 2HG1 ILE 53 3HG1 ILE 53 6.103 9.767 -0.715 414 1HG2 ILE 53 1HG2 ILE 53 3.882 7.689 -2.975 415 2HG2 ILE 53 2HG2 ILE 53 4.901 8.035 -4.369 416 3HG2 ILE 53 3HG2 ILE 53 5.491 6.949 -3.077 417 1HD1 ILE 53 1HD1 ILE 53 4.470 8.577 0.688 418 2HD1 ILE 53 2HD1 ILE 53 3.635 9.413 -0.646 419 3HD1 ILE 53 3HD1 ILE 53 3.898 7.657 -0.715 420 H GLY 54 H GLY 54 8.433 8.235 -1.421 421 1HA GLY 54 2HA GLY 54 9.734 6.507 -3.453 422 2HA GLY 54 1HA GLY 54 10.224 6.763 -1.780 423 HA PRO 55 HA PRO 55 7.410 2.930 -2.302 424 1HB PRO 55 2HB PRO 55 9.266 0.902 -2.193 425 2HB PRO 55 3HB PRO 55 8.762 1.701 -3.704 426 1HG PRO 55 2HG PRO 55 11.241 2.264 -2.072 427 2HG PRO 55 3HG PRO 55 11.096 2.067 -3.839 428 1HD PRO 55 2HD PRO 55 11.160 4.535 -2.658 429 2HD PRO 55 3HD PRO 55 10.167 4.212 -4.107 430 H ARG 56 H ARG 56 10.444 3.246 -0.383 431 HA ARG 56 HA ARG 56 9.527 1.579 1.717 432 1HB ARG 56 2HB ARG 56 11.893 1.988 1.332 433 2HB ARG 56 3HB ARG 56 11.714 3.681 1.855 434 1HG ARG 56 2HG ARG 56 11.125 3.039 4.074 435 2HG ARG 56 3HG ARG 56 10.768 1.372 3.598 436 1HD ARG 56 2HD ARG 56 13.139 0.919 3.220 437 2HD ARG 56 3HD ARG 56 13.545 2.590 3.704 438 HE ARG 56 HE ARG 56 11.925 1.578 5.744 439 1HH1 ARG 56 2HH2 ARG 56 15.071 0.628 4.470 440 2HH1 ARG 56 1HH2 ARG 56 15.654 0.032 5.998 441 1HH2 ARG 56 2HH1 ARG 56 12.602 0.964 7.651 442 2HH2 ARG 56 1HH1 ARG 56 14.151 0.181 7.929 443 H ASP 57 H ASP 57 9.236 5.088 1.212 444 HA ASP 57 HA ASP 57 8.185 5.947 3.562 445 1HB ASP 57 2HB ASP 57 6.780 6.707 0.984 446 2HB ASP 57 3HB ASP 57 7.236 7.723 2.338 447 H ILE 58 H ILE 58 6.389 4.533 0.828 448 HA ILE 58 HA ILE 58 3.841 4.396 2.095 449 HB ILE 58 HB ILE 58 5.000 2.808 -0.236 450 1HG1 ILE 58 2HG1 ILE 58 2.897 4.941 -0.433 451 2HG1 ILE 58 3HG1 ILE 58 4.580 5.453 -0.240 452 1HG2 ILE 58 1HG2 ILE 58 2.141 2.956 0.764 453 2HG2 ILE 58 2HG2 ILE 58 2.673 2.267 -0.787 454 3HG2 ILE 58 3HG2 ILE 58 3.177 1.511 0.714 455 1HD1 ILE 58 1HD1 ILE 58 5.293 4.224 -2.168 456 2HD1 ILE 58 2HD1 ILE 58 3.680 3.528 -2.402 457 3HD1 ILE 58 3HD1 ILE 58 3.925 5.268 -2.618 458 H ILE 59 H ILE 59 6.383 1.890 1.647 459 HA ILE 59 HA ILE 59 5.038 -0.223 2.932 460 HB ILE 59 HB ILE 59 7.999 0.401 2.785 461 1HG1 ILE 59 2HG1 ILE 59 6.383 -1.714 1.308 462 2HG1 ILE 59 3HG1 ILE 59 6.535 -0.077 0.672 463 1HG2 ILE 59 1HG2 ILE 59 8.343 -2.031 3.344 464 2HG2 ILE 59 2HG2 ILE 59 7.709 -1.095 4.688 465 3HG2 ILE 59 3HG2 ILE 59 6.620 -2.135 3.750 466 1HD1 ILE 59 1HD1 ILE 59 8.852 -1.977 1.178 467 2HD1 ILE 59 2HD1 ILE 59 8.159 -1.506 -0.384 468 3HD1 ILE 59 3HD1 ILE 59 8.986 -0.296 0.611 469 H HIS 60 H HIS 60 7.348 2.075 4.482 470 HA HIS 60 HA HIS 60 7.008 1.274 7.161 471 1HB HIS 60 2HB HIS 60 7.504 4.008 5.882 472 2HB HIS 60 3HB HIS 60 7.401 3.785 7.624 473 HD1 HIS 60 1HD HIS 60 9.987 4.943 6.620 474 HD2 HIS 60 2HD HIS 60 9.214 0.872 7.319 475 HE1 HIS 60 1HE HIS 60 12.220 3.876 7.239 476 H THR 61 H THR 61 5.047 3.580 5.174 477 HA THR 61 HA THR 61 3.459 4.354 7.426 478 HB THR 61 HB THR 61 2.725 4.438 4.478 479 HG1 THR 61 1HG THR 61 4.613 5.576 4.944 480 1HG2 THR 61 1HG2 THR 61 1.619 5.866 6.946 481 2HG2 THR 61 2HG2 THR 61 1.310 6.386 5.281 482 3HG2 THR 61 3HG2 THR 61 0.730 4.803 5.831 483 H ILE 62 H ILE 62 2.856 1.873 4.893 484 HA ILE 62 HA ILE 62 0.357 0.921 5.844 485 HB ILE 62 HB ILE 62 2.602 -0.430 4.302 486 1HG1 ILE 62 2HG1 ILE 62 -0.138 0.655 3.519 487 2HG1 ILE 62 3HG1 ILE 62 1.395 1.501 3.259 488 1HG2 ILE 62 1HG2 ILE 62 -0.209 -1.480 4.862 489 2HG2 ILE 62 2HG2 ILE 62 0.955 -2.199 3.727 490 3HG2 ILE 62 3HG2 ILE 62 1.306 -2.209 5.442 491 1HD1 ILE 62 1HD1 ILE 62 0.437 -1.026 1.897 492 2HD1 ILE 62 2HD1 ILE 62 0.877 0.531 1.193 493 3HD1 ILE 62 3HD1 ILE 62 2.144 -0.499 1.880 494 H GLU 63 H GLU 63 3.668 -0.387 6.510 495 HA GLU 63 HA GLU 63 2.695 -2.374 8.247 496 1HB GLU 63 2HB GLU 63 5.440 -1.035 8.143 497 2HB GLU 63 3HB GLU 63 5.053 -2.496 9.074 498 1HG GLU 63 2HG GLU 63 4.283 -3.608 6.978 499 2HG GLU 63 3HG GLU 63 4.809 -2.206 6.041 500 H SER 64 H SER 64 4.028 0.849 8.988 501 HA SER 64 HA SER 64 3.714 0.856 11.763 502 1HB SER 64 2HB SER 64 4.962 2.534 10.526 503 2HB SER 64 3HB SER 64 3.494 3.163 9.782 504 HG SER 64 HG SER 64 2.833 3.511 12.114 505 H LEU 65 H LEU 65 1.139 1.667 9.251 506 HA LEU 65 HA LEU 65 -0.768 2.433 11.157 507 1HB LEU 65 2HB LEU 65 -0.933 1.176 8.416 508 2HB LEU 65 3HB LEU 65 -2.391 1.590 9.292 509 HG LEU 65 HG LEU 65 -0.210 3.677 9.008 510 1HD1 LEU 65 1HD1 LEU 65 -2.311 2.957 6.933 511 2HD1 LEU 65 2HD1 LEU 65 -1.262 4.397 6.901 512 3HD1 LEU 65 3HD1 LEU 65 -0.545 2.773 6.805 513 1HD2 LEU 65 1HD2 LEU 65 -2.055 5.224 9.186 514 2HD2 LEU 65 2HD2 LEU 65 -3.247 3.909 9.106 515 3HD2 LEU 65 3HD2 LEU 65 -2.179 4.072 10.520 516 H GLY 66 H GLY 66 -0.139 -0.931 9.960 517 1HA GLY 66 2HA GLY 66 -1.121 -1.883 12.531 518 2HA GLY 66 1HA GLY 66 -2.286 -2.209 11.249 519 H PHE 67 H PHE 67 0.950 -2.572 10.024 520 HA PHE 67 HA PHE 67 0.241 -5.482 9.902 521 1HB PHE 67 2HB PHE 67 0.617 -3.626 7.536 522 2HB PHE 67 3HB PHE 67 0.035 -5.288 7.508 523 HD1 PHE 67 1HD PHE 67 -1.046 -1.944 7.304 524 HD2 PHE 67 2HD PHE 67 -2.046 -5.630 9.295 525 HE1 PHE 67 1HE PHE 67 -3.221 -0.999 7.965 526 HE2 PHE 67 2HE PHE 67 -4.256 -4.715 9.886 527 HZ PHE 67 HZ PHE 67 -4.850 -2.395 9.230 528 H GLU 68 H GLU 68 1.655 -6.595 8.214 529 HA GLU 68 HA GLU 68 4.502 -5.727 8.298 530 1HB GLU 68 2HB GLU 68 4.094 -7.725 9.793 531 2HB GLU 68 3HB GLU 68 3.413 -8.578 8.403 532 1HG GLU 68 2HG GLU 68 5.684 -8.202 7.242 533 2HG GLU 68 3HG GLU 68 6.277 -7.649 8.812 534 H ALA 69 H ALA 69 5.379 -5.739 6.182 535 HA ALA 69 HA ALA 69 3.471 -6.422 3.976 536 1HB ALA 69 1HB ALA 69 3.748 -4.016 4.363 537 2HB ALA 69 2HB ALA 69 5.512 -4.192 4.204 538 3HB ALA 69 3HB ALA 69 4.462 -4.504 2.811 539 H SER 70 H SER 70 4.359 -6.998 1.929 540 HA SER 70 HA SER 70 7.269 -7.426 1.623 541 1HB SER 70 2HB SER 70 5.172 -9.631 1.565 542 2HB SER 70 3HB SER 70 6.747 -9.801 0.799 543 HG SER 70 HG SER 70 7.075 -8.822 3.288 544 H LEU 71 H LEU 71 7.603 -6.432 -0.359 545 HA LEU 71 HA LEU 71 5.812 -6.114 -2.610 546 1HB LEU 71 2HB LEU 71 8.811 -6.479 -2.390 547 2HB LEU 71 3HB LEU 71 7.954 -5.965 -3.849 548 HG LEU 71 HG LEU 71 7.721 -4.411 -1.237 549 1HD1 LEU 71 1HD1 LEU 71 9.470 -2.916 -2.080 550 2HD1 LEU 71 2HD1 LEU 71 10.109 -4.552 -1.839 551 3HD1 LEU 71 3HD1 LEU 71 9.732 -3.979 -3.476 552 1HD2 LEU 71 1HD2 LEU 71 7.349 -3.600 -4.157 553 2HD2 LEU 71 2HD2 LEU 71 6.019 -3.948 -3.034 554 3HD2 LEU 71 3HD2 LEU 71 7.101 -2.590 -2.718 555 H VAL 72 H VAL 72 5.209 -7.517 -4.163 556 HA VAL 72 HA VAL 72 6.466 -10.218 -4.362 557 HB VAL 72 HB VAL 72 4.197 -11.151 -4.697 558 1HG1 VAL 72 1HG1 VAL 72 5.324 -11.063 -2.446 559 2HG1 VAL 72 2HG1 VAL 72 4.345 -9.615 -2.124 560 3HG1 VAL 72 3HG1 VAL 72 3.556 -11.187 -2.393 561 1HG2 VAL 72 1HG2 VAL 72 2.181 -9.915 -4.180 562 2HG2 VAL 72 2HG2 VAL 72 3.094 -8.454 -3.772 563 3HG2 VAL 72 3HG2 VAL 72 3.017 -9.021 -5.448 564 H LYS 73 H LYS 73 7.323 -8.137 -5.934 565 HA LYS 73 HA LYS 73 6.685 -8.910 -8.604 566 1HB LYS 73 2HB LYS 73 4.995 -6.802 -7.386 567 2HB LYS 73 3HB LYS 73 5.767 -6.247 -8.860 568 1HG LYS 73 2HG LYS 73 4.363 -8.914 -8.976 569 2HG LYS 73 3HG LYS 73 3.403 -7.448 -8.857 570 1HD LYS 73 2HD LYS 73 3.699 -8.065 -11.172 571 2HD LYS 73 3HD LYS 73 4.426 -6.491 -10.825 572 1HE LYS 73 2HE LYS 73 6.691 -7.548 -10.725 573 2HE LYS 73 3HE LYS 73 5.966 -9.142 -11.000 574 1HZ LYS 73 1HZ LYS 73 5.927 -6.873 -12.879 575 2HZ LYS 73 2HZ LYS 73 6.894 -8.199 -12.982 576 3HZ LYS 73 3HZ LYS 73 5.265 -8.356 -13.159 577 H ILE 74 H ILE 74 7.453 -5.910 -6.796 578 HA ILE 74 HA ILE 74 9.738 -5.381 -8.625 579 HB ILE 74 HB ILE 74 8.718 -3.584 -6.392 580 1HG1 ILE 74 2HG1 ILE 74 7.764 -2.314 -8.525 581 2HG1 ILE 74 3HG1 ILE 74 7.624 -3.942 -9.191 582 1HG2 ILE 74 1HG2 ILE 74 10.296 -3.028 -8.939 583 2HG2 ILE 74 2HG2 ILE 74 9.879 -1.857 -7.670 584 3HG2 ILE 74 3HG2 ILE 74 11.003 -3.173 -7.317 585 1HD1 ILE 74 1HD1 ILE 74 6.490 -2.983 -6.523 586 2HD1 ILE 74 2HD1 ILE 74 5.557 -3.077 -8.033 587 3HD1 ILE 74 3HD1 ILE 74 6.131 -4.547 -7.256 588 H GLU 75 H GLU 75 10.362 -7.506 -7.622 589 HA GLU 75 HA GLU 75 11.322 -8.900 -6.141 590 1HB GLU 75 2HB GLU 75 12.283 -6.512 -4.509 591 2HB GLU 75 3HB GLU 75 12.790 -8.191 -4.367 592 1HG GLU 75 2HG GLU 75 13.705 -8.109 -6.695 593 2HG GLU 75 3HG GLU 75 13.259 -6.394 -6.794 Start of MODEL 12 1 1H MET 1 H1 MET 1 4.962 4.800 -18.330 2 2H MET 1 H2 MET 1 4.485 4.369 -19.869 3 3H MET 1 H3 MET 1 4.652 3.299 -18.605 4 HA MET 1 HA MET 1 6.456 2.912 -20.024 5 1HB MET 1 2HB MET 1 6.311 5.264 -21.007 6 2HB MET 1 3HB MET 1 7.278 5.820 -19.642 7 1HG MET 1 2HG MET 1 8.023 3.721 -21.729 8 2HG MET 1 3HG MET 1 8.637 5.369 -21.660 9 1HE MET 1 1HE MET 1 10.467 6.224 -19.968 10 2HE MET 1 2HE MET 1 9.413 5.801 -18.597 11 3HE MET 1 3HE MET 1 11.096 5.239 -18.627 12 H GLY 2 H GLY 2 7.273 1.561 -18.439 13 1HA GLY 2 2HA GLY 2 8.287 0.836 -16.522 14 2HA GLY 2 1HA GLY 2 9.325 2.261 -16.711 15 H ASP 3 H ASP 3 5.819 2.102 -16.048 16 HA ASP 3 HA ASP 3 6.018 4.361 -14.412 17 1HB ASP 3 2HB ASP 3 3.614 2.517 -14.638 18 2HB ASP 3 3HB ASP 3 3.622 4.271 -14.371 19 H GLY 4 H GLY 4 5.309 4.676 -12.174 20 1HA GLY 4 2HA GLY 4 6.490 2.747 -10.390 21 2HA GLY 4 1HA GLY 4 5.658 4.232 -9.956 22 H VAL 5 H VAL 5 5.051 0.928 -11.161 23 HA VAL 5 HA VAL 5 2.554 0.713 -9.557 24 HB VAL 5 HB VAL 5 2.439 -1.563 -10.288 25 1HG1 VAL 5 1HG1 VAL 5 1.589 0.199 -11.819 26 2HG1 VAL 5 2HG1 VAL 5 3.149 0.212 -12.667 27 3HG1 VAL 5 3HG1 VAL 5 2.135 -1.242 -12.687 28 1HG2 VAL 5 1HG2 VAL 5 4.041 -2.539 -11.900 29 2HG2 VAL 5 2HG2 VAL 5 5.119 -1.148 -11.682 30 3HG2 VAL 5 3HG2 VAL 5 4.783 -2.250 -10.326 31 H LEU 6 H LEU 6 2.510 -0.228 -7.517 32 HA LEU 6 HA LEU 6 4.915 -1.615 -6.542 33 1HB LEU 6 2HB LEU 6 5.121 0.721 -5.704 34 2HB LEU 6 3HB LEU 6 3.518 0.601 -4.984 35 HG LEU 6 HG LEU 6 4.457 -1.339 -3.580 36 1HD1 LEU 6 1HD1 LEU 6 6.418 -1.967 -4.910 37 2HD1 LEU 6 2HD1 LEU 6 7.085 -0.326 -4.759 38 3HD1 LEU 6 3HD1 LEU 6 6.950 -1.374 -3.334 39 1HD2 LEU 6 1HD2 LEU 6 5.766 1.404 -3.326 40 2HD2 LEU 6 2HD2 LEU 6 4.169 0.936 -2.706 41 3HD2 LEU 6 3HD2 LEU 6 5.628 0.194 -2.027 42 H GLU 7 H GLU 7 3.889 -3.447 -6.855 43 HA GLU 7 HA GLU 7 1.339 -3.993 -5.506 44 1HB GLU 7 2HB GLU 7 2.457 -4.892 -7.877 45 2HB GLU 7 3HB GLU 7 2.896 -6.188 -6.766 46 1HG GLU 7 2HG GLU 7 0.805 -6.716 -7.715 47 2HG GLU 7 3HG GLU 7 0.408 -6.205 -6.055 48 H LEU 8 H LEU 8 1.475 -4.474 -3.334 49 HA LEU 8 HA LEU 8 3.771 -6.144 -2.465 50 1HB LEU 8 2HB LEU 8 4.077 -5.023 -0.419 51 2HB LEU 8 3HB LEU 8 4.332 -3.902 -1.752 52 HG LEU 8 HG LEU 8 3.429 -2.912 0.218 53 1HD1 LEU 8 1HD1 LEU 8 1.607 -2.667 -2.177 54 2HD1 LEU 8 2HD1 LEU 8 1.681 -1.563 -0.787 55 3HD1 LEU 8 3HD1 LEU 8 3.091 -1.767 -1.831 56 1HD2 LEU 8 1HD2 LEU 8 0.771 -4.275 -0.205 57 2HD2 LEU 8 2HD2 LEU 8 2.009 -4.857 0.929 58 3HD2 LEU 8 3HD2 LEU 8 1.294 -3.249 1.122 59 H VAL 9 H VAL 9 3.430 -7.754 -1.050 60 HA VAL 9 HA VAL 9 0.593 -8.463 -0.637 61 HB VAL 9 HB VAL 9 2.219 -10.174 -1.374 62 1HG1 VAL 9 1HG1 VAL 9 3.248 -10.065 1.484 63 2HG1 VAL 9 2HG1 VAL 9 3.625 -11.304 0.275 64 3HG1 VAL 9 3HG1 VAL 9 4.164 -9.649 0.008 65 1HG2 VAL 9 1HG2 VAL 9 0.730 -10.683 1.230 66 2HG2 VAL 9 2HG2 VAL 9 0.065 -10.779 -0.418 67 3HG2 VAL 9 3HG2 VAL 9 1.301 -11.928 0.103 68 H VAL 10 H VAL 10 -0.350 -8.412 1.449 69 HA VAL 10 HA VAL 10 1.191 -7.059 3.582 70 HB VAL 10 HB VAL 10 0.146 -5.313 2.156 71 1HG1 VAL 10 1HG1 VAL 10 -2.472 -6.652 2.885 72 2HG1 VAL 10 2HG1 VAL 10 -2.301 -5.043 2.150 73 3HG1 VAL 10 3HG1 VAL 10 -1.770 -6.478 1.268 74 1HG2 VAL 10 1HG2 VAL 10 -1.187 -5.522 4.868 75 2HG2 VAL 10 2HG2 VAL 10 0.467 -4.933 4.582 76 3HG2 VAL 10 3HG2 VAL 10 -0.922 -4.050 3.921 77 H ARG 11 H ARG 11 0.240 -7.260 5.661 78 HA ARG 11 HA ARG 11 -1.776 -9.382 5.990 79 1HB ARG 11 2HB ARG 11 -0.089 -10.608 7.404 80 2HB ARG 11 3HB ARG 11 0.181 -10.694 5.660 81 1HG ARG 11 2HG ARG 11 1.954 -8.983 5.904 82 2HG ARG 11 3HG ARG 11 1.627 -8.940 7.658 83 1HD ARG 11 2HD ARG 11 2.205 -11.372 7.777 84 2HD ARG 11 3HD ARG 11 2.582 -11.373 6.055 85 HE ARG 11 HE ARG 11 4.197 -10.302 8.268 86 1HH1 ARG 11 2HH2 ARG 11 3.761 -9.990 4.781 87 2HH1 ARG 11 1HH2 ARG 11 5.390 -9.441 4.497 88 1HH2 ARG 11 2HH1 ARG 11 6.107 -9.578 7.994 89 2HH2 ARG 11 1HH1 ARG 11 6.867 -9.276 6.420 90 H GLY 12 H GLY 12 -2.170 -9.706 8.381 91 1HA GLY 12 2HA GLY 12 -2.405 -8.813 10.549 92 2HA GLY 12 1HA GLY 12 -1.741 -7.259 10.028 93 H MET 13 H MET 13 -3.126 -6.529 7.849 94 HA MET 13 HA MET 13 -5.745 -5.901 8.761 95 1HB MET 13 2HB MET 13 -6.171 -5.238 6.366 96 2HB MET 13 3HB MET 13 -4.802 -4.436 7.119 97 1HG MET 13 2HG MET 13 -3.250 -5.438 5.836 98 2HG MET 13 3HG MET 13 -4.134 -6.947 5.618 99 1HE MET 13 1HE MET 13 -5.773 -7.494 3.750 100 2HE MET 13 2HE MET 13 -6.884 -6.301 4.465 101 3HE MET 13 3HE MET 13 -6.534 -6.256 2.720 102 H THR 14 H THR 14 -7.720 -6.801 8.430 103 HA THR 14 HA THR 14 -8.010 -9.344 6.944 104 HB THR 14 HB THR 14 -6.805 -9.929 9.003 105 HG1 THR 14 1HG THR 14 -9.533 -10.630 8.937 106 1HG2 THR 14 1HG2 THR 14 -7.433 -8.021 10.450 107 2HG2 THR 14 2HG2 THR 14 -9.108 -8.610 10.517 108 3HG2 THR 14 3HG2 THR 14 -7.795 -9.570 11.221 109 H CYS 15 H CYS 15 -9.395 -6.529 7.098 110 HA CYS 15 HA CYS 15 -12.108 -7.410 6.988 111 1HB CYS 15 2HB CYS 15 -12.943 -6.251 9.018 112 2HB CYS 15 3HB CYS 15 -11.863 -7.573 9.478 113 HG CYS 15 HG CYS 15 -11.481 -5.490 11.021 114 H ALA 16 H ALA 16 -13.564 -5.612 6.662 115 HA ALA 16 HA ALA 16 -12.791 -3.953 4.652 116 1HB ALA 16 1HB ALA 16 -15.086 -3.513 6.595 117 2HB ALA 16 2HB ALA 16 -14.935 -2.803 4.974 118 3HB ALA 16 3HB ALA 16 -15.101 -4.560 5.158 119 H SER 17 H SER 17 -13.003 -3.041 8.082 120 HA SER 17 HA SER 17 -12.371 -0.283 7.787 121 1HB SER 17 2HB SER 17 -11.797 -0.429 10.205 122 2HB SER 17 3HB SER 17 -13.366 -1.145 9.794 123 HG SER 17 HG SER 17 -11.901 -3.158 9.479 124 H CYS 18 H CYS 18 -10.058 -2.744 9.168 125 HA CYS 18 HA CYS 18 -7.701 -1.457 8.804 126 1HB CYS 18 2HB CYS 18 -8.310 -4.405 8.248 127 2HB CYS 18 3HB CYS 18 -6.680 -3.720 8.370 128 HG CYS 18 HG CYS 18 -6.968 -2.717 10.764 129 H VAL 19 H VAL 19 -9.496 -3.215 6.272 130 HA VAL 19 HA VAL 19 -7.714 -2.814 4.198 131 HB VAL 19 HB VAL 19 -10.655 -3.290 4.382 132 1HG1 VAL 19 1HG1 VAL 19 -9.306 -2.702 1.735 133 2HG1 VAL 19 2HG1 VAL 19 -10.835 -3.576 1.932 134 3HG1 VAL 19 3HG1 VAL 19 -10.729 -1.894 2.427 135 1HG2 VAL 19 1HG2 VAL 19 -8.463 -4.820 2.989 136 2HG2 VAL 19 2HG2 VAL 19 -8.952 -5.087 4.677 137 3HG2 VAL 19 3HG2 VAL 19 -10.111 -5.373 3.368 138 H HIS 20 H HIS 20 -10.707 -0.792 4.613 139 HA HIS 20 HA HIS 20 -9.719 1.032 2.696 140 1HB HIS 20 2HB HIS 20 -11.650 2.109 2.747 141 2HB HIS 20 3HB HIS 20 -12.138 0.530 3.346 142 HD1 HIS 20 1HD HIS 20 -13.873 3.133 3.761 143 HD2 HIS 20 2HD HIS 20 -11.167 1.544 6.542 144 HE1 HIS 20 1HE HIS 20 -14.594 3.946 6.078 145 H LYS 21 H LYS 21 -9.096 0.853 6.077 146 HA LYS 21 HA LYS 21 -8.301 3.492 6.617 147 1HB LYS 21 2HB LYS 21 -8.549 1.676 8.306 148 2HB LYS 21 3HB LYS 21 -7.137 0.858 7.630 149 1HG LYS 21 2HG LYS 21 -6.509 2.006 9.633 150 2HG LYS 21 3HG LYS 21 -5.713 2.793 8.260 151 1HD LYS 21 2HD LYS 21 -7.316 4.613 8.284 152 2HD LYS 21 3HD LYS 21 -8.342 3.752 9.455 153 1HE LYS 21 2HE LYS 21 -6.460 3.908 11.136 154 2HE LYS 21 3HE LYS 21 -5.535 4.862 9.962 155 1HZ LYS 21 1HZ LYS 21 -8.128 5.627 11.131 156 2HZ LYS 21 2HZ LYS 21 -6.662 6.247 11.536 157 3HZ LYS 21 3HZ LYS 21 -7.277 6.515 10.035 158 H ILE 22 H ILE 22 -6.496 0.745 5.125 159 HA ILE 22 HA ILE 22 -3.948 2.125 4.909 160 HB ILE 22 HB ILE 22 -5.191 -0.178 3.361 161 1HG1 ILE 22 2HG1 ILE 22 -2.956 -0.317 5.411 162 2HG1 ILE 22 3HG1 ILE 22 -4.652 -0.359 5.906 163 1HG2 ILE 22 1HG2 ILE 22 -2.362 0.929 3.297 164 2HG2 ILE 22 2HG2 ILE 22 -2.802 -0.673 2.670 165 3HG2 ILE 22 3HG2 ILE 22 -3.494 0.768 1.934 166 1HD1 ILE 22 1HD1 ILE 22 -3.885 -2.614 5.727 167 2HD1 ILE 22 2HD1 ILE 22 -5.094 -2.289 4.479 168 3HD1 ILE 22 3HD1 ILE 22 -3.364 -2.371 4.050 169 H GLU 23 H GLU 23 -6.604 1.558 2.584 170 HA GLU 23 HA GLU 23 -5.517 2.983 0.462 171 1HB GLU 23 2HB GLU 23 -8.511 2.874 1.069 172 2HB GLU 23 3HB GLU 23 -7.692 2.994 -0.495 173 1HG GLU 23 2HG GLU 23 -6.612 0.727 0.068 174 2HG GLU 23 3HG GLU 23 -7.789 0.606 1.386 175 H SER 24 H SER 24 -7.925 4.170 2.806 176 HA SER 24 HA SER 24 -8.021 6.866 2.107 177 1HB SER 24 2HB SER 24 -9.580 5.732 3.648 178 2HB SER 24 3HB SER 24 -8.308 5.597 4.869 179 HG SER 24 HG SER 24 -9.391 8.004 3.805 180 H SER 25 H SER 25 -5.829 5.273 4.488 181 HA SER 25 HA SER 25 -4.488 7.642 5.314 182 1HB SER 25 2HB SER 25 -4.423 5.414 6.482 183 2HB SER 25 3HB SER 25 -3.334 4.832 5.199 184 HG SER 25 HG SER 25 -2.164 5.647 6.988 185 H LEU 26 H LEU 26 -3.576 5.270 2.691 186 HA LEU 26 HA LEU 26 -1.288 6.838 2.085 187 1HB LEU 26 2HB LEU 26 -2.739 5.039 0.141 188 2HB LEU 26 3HB LEU 26 -1.065 5.673 0.063 189 HG LEU 26 HG LEU 26 -1.718 4.061 2.471 190 1HD1 LEU 26 1HD1 LEU 26 -1.191 1.979 1.224 191 2HD1 LEU 26 2HD1 LEU 26 -2.738 2.710 0.758 192 3HD1 LEU 26 3HD1 LEU 26 -1.321 2.899 -0.297 193 1HD2 LEU 26 1HD2 LEU 26 0.617 3.364 2.136 194 2HD2 LEU 26 2HD2 LEU 26 0.693 4.307 0.635 195 3HD2 LEU 26 3HD2 LEU 26 0.468 5.126 2.193 196 H THR 27 H THR 27 -4.668 6.959 0.900 197 HA THR 27 HA THR 27 -4.273 9.047 -0.992 198 HB THR 27 HB THR 27 -6.761 8.235 0.558 199 HG1 THR 27 1HG THR 27 -5.656 7.372 -1.906 200 1HG2 THR 27 1HG2 THR 27 -7.288 10.310 -0.607 201 2HG2 THR 27 2HG2 THR 27 -6.424 9.764 -2.067 202 3HG2 THR 27 3HG2 THR 27 -7.928 8.972 -1.557 203 H LYS 28 H LYS 28 -3.472 9.371 2.223 204 HA LYS 28 HA LYS 28 -4.102 12.226 2.421 205 1HB LYS 28 2HB LYS 28 -1.970 10.500 3.722 206 2HB LYS 28 3HB LYS 28 -2.309 12.161 4.149 207 1HG LYS 28 2HG LYS 28 -4.435 9.968 4.293 208 2HG LYS 28 3HG LYS 28 -3.313 10.246 5.606 209 1HD LYS 28 2HD LYS 28 -5.239 12.334 4.457 210 2HD LYS 28 3HD LYS 28 -5.563 11.315 5.864 211 1HE LYS 28 2HE LYS 28 -3.549 12.284 7.019 212 2HE LYS 28 3HE LYS 28 -3.318 13.391 5.658 213 1HZ LYS 28 1HZ LYS 28 -5.468 14.327 6.110 214 2HZ LYS 28 2HZ LYS 28 -5.692 13.311 7.388 215 3HZ LYS 28 3HZ LYS 28 -4.493 14.434 7.427 216 H HIS 29 H HIS 29 -1.413 10.146 1.208 217 HA HIS 29 HA HIS 29 0.460 12.280 0.811 218 1HB HIS 29 2HB HIS 29 0.314 9.710 -0.773 219 2HB HIS 29 3HB HIS 29 1.742 10.693 -0.464 220 HD1 HIS 29 1HD HIS 29 2.671 10.466 2.255 221 HD2 HIS 29 2HD HIS 29 0.163 7.570 0.539 222 HE1 HIS 29 1HE HIS 29 2.944 8.303 3.585 223 H ARG 30 H ARG 30 1.246 13.029 -1.348 224 HA ARG 30 HA ARG 30 -0.779 12.835 -3.555 225 1HB ARG 30 2HB ARG 30 0.122 15.216 -2.222 226 2HB ARG 30 3HB ARG 30 1.010 15.136 -3.738 227 1HG ARG 30 2HG ARG 30 -0.848 16.317 -4.376 228 2HG ARG 30 3HG ARG 30 -1.342 14.690 -4.832 229 1HD ARG 30 2HD ARG 30 -2.137 16.277 -2.336 230 2HD ARG 30 3HD ARG 30 -3.163 15.878 -3.731 231 HE ARG 30 HE ARG 30 -2.065 13.530 -2.363 232 1HH1 ARG 30 2HH2 ARG 30 -4.703 15.865 -2.105 233 2HH1 ARG 30 1HH2 ARG 30 -5.763 14.738 -1.303 234 1HH2 ARG 30 2HH1 ARG 30 -3.314 12.149 -1.389 235 2HH2 ARG 30 1HH1 ARG 30 -4.885 12.488 -0.748 236 H GLY 31 H GLY 31 2.172 11.689 -2.628 237 1HA GLY 31 2HA GLY 31 3.268 11.681 -5.355 238 2HA GLY 31 1HA GLY 31 3.987 10.962 -3.919 239 H ILE 32 H ILE 32 1.015 9.892 -3.522 240 HA ILE 32 HA ILE 32 1.378 7.428 -5.107 241 HB ILE 32 HB ILE 32 0.161 6.275 -3.537 242 1HG1 ILE 32 2HG1 ILE 32 -0.890 7.534 -1.547 243 2HG1 ILE 32 3HG1 ILE 32 -1.001 8.918 -2.643 244 1HG2 ILE 32 1HG2 ILE 32 2.388 6.946 -2.813 245 2HG2 ILE 32 2HG2 ILE 32 1.673 8.265 -1.868 246 3HG2 ILE 32 3HG2 ILE 32 1.273 6.582 -1.488 247 1HD1 ILE 32 1HD1 ILE 32 -2.449 7.550 -4.149 248 2HD1 ILE 32 2HD1 ILE 32 -2.127 6.115 -3.162 249 3HD1 ILE 32 3HD1 ILE 32 -3.066 7.464 -2.498 250 H LEU 33 H LEU 33 -0.255 6.809 -6.551 251 HA LEU 33 HA LEU 33 -2.269 8.906 -7.289 252 1HB LEU 33 2HB LEU 33 -1.003 6.652 -8.914 253 2HB LEU 33 3HB LEU 33 -2.363 7.638 -9.434 254 HG LEU 33 HG LEU 33 -0.504 8.466 -10.534 255 1HD1 LEU 33 1HD1 LEU 33 -0.898 10.437 -8.246 256 2HD1 LEU 33 2HD1 LEU 33 -0.414 10.788 -9.912 257 3HD1 LEU 33 3HD1 LEU 33 -2.052 10.196 -9.582 258 1HD2 LEU 33 1HD2 LEU 33 1.036 8.826 -7.943 259 2HD2 LEU 33 2HD2 LEU 33 1.282 7.541 -9.159 260 3HD2 LEU 33 3HD2 LEU 33 1.568 9.235 -9.579 261 H TYR 34 H TYR 34 -1.796 5.373 -6.746 262 HA TYR 34 HA TYR 34 -4.709 5.100 -6.270 263 1HB TYR 34 2HB TYR 34 -3.606 4.452 -8.688 264 2HB TYR 34 3HB TYR 34 -3.234 2.971 -7.798 265 HD1 TYR 34 HD1 TYR 34 -4.848 1.254 -8.024 266 HD2 TYR 34 HD2 TYR 34 -6.066 5.379 -8.365 267 HE1 TYR 34 HE1 TYR 34 -7.076 0.535 -8.787 268 HE2 TYR 34 HE2 TYR 34 -8.328 4.656 -9.021 269 HH TYR 34 HH TYR 34 -9.231 1.197 -9.309 270 H CYS 35 H CYS 35 -5.204 3.220 -4.968 271 HA CYS 35 HA CYS 35 -3.016 1.874 -3.547 272 1HB CYS 35 2HB CYS 35 -3.730 2.834 -1.358 273 2HB CYS 35 3HB CYS 35 -3.005 4.042 -2.426 274 HG CYS 35 HG CYS 35 -5.053 5.033 -1.013 275 H SER 36 H SER 36 -4.497 0.288 -4.881 276 HA SER 36 HA SER 36 -7.069 -0.207 -3.544 277 1HB SER 36 2HB SER 36 -5.832 -1.647 -5.888 278 2HB SER 36 3HB SER 36 -7.494 -1.785 -5.291 279 HG SER 36 HG SER 36 -7.598 0.561 -5.637 280 H VAL 37 H VAL 37 -6.890 -1.301 -1.566 281 HA VAL 37 HA VAL 37 -4.972 -3.570 -1.447 282 HB VAL 37 HB VAL 37 -4.823 -1.779 0.278 283 1HG1 VAL 37 1HG1 VAL 37 -7.291 -1.685 0.894 284 2HG1 VAL 37 2HG1 VAL 37 -7.070 -3.269 1.675 285 3HG1 VAL 37 3HG1 VAL 37 -6.161 -1.884 2.250 286 1HG2 VAL 37 1HG2 VAL 37 -3.712 -3.986 0.379 287 2HG2 VAL 37 2HG2 VAL 37 -4.196 -3.402 1.973 288 3HG2 VAL 37 3HG2 VAL 37 -5.146 -4.672 1.155 289 H ALA 38 H ALA 38 -5.709 -5.250 -2.450 290 HA ALA 38 HA ALA 38 -8.577 -5.951 -2.202 291 1HB ALA 38 1HB ALA 38 -7.992 -7.625 -3.916 292 2HB ALA 38 2HB ALA 38 -7.638 -5.962 -4.426 293 3HB ALA 38 3HB ALA 38 -6.311 -7.018 -3.909 294 H LEU 39 H LEU 39 -8.516 -6.467 0.016 295 HA LEU 39 HA LEU 39 -7.034 -8.299 1.428 296 1HB LEU 39 2HB LEU 39 -8.919 -7.070 2.296 297 2HB LEU 39 3HB LEU 39 -10.074 -8.016 1.357 298 HG LEU 39 HG LEU 39 -8.199 -9.470 3.233 299 1HD1 LEU 39 1HD1 LEU 39 -9.789 -9.103 5.107 300 2HD1 LEU 39 2HD1 LEU 39 -8.951 -7.619 4.625 301 3HD1 LEU 39 3HD1 LEU 39 -10.641 -7.885 4.135 302 1HD2 LEU 39 1HD2 LEU 39 -10.193 -10.897 3.596 303 2HD2 LEU 39 2HD2 LEU 39 -11.169 -9.828 2.572 304 3HD2 LEU 39 3HD2 LEU 39 -9.857 -10.792 1.871 305 H ALA 40 H ALA 40 -9.316 -9.022 -1.177 306 HA ALA 40 HA ALA 40 -9.670 -11.792 -0.874 307 1HB ALA 40 1HB ALA 40 -10.096 -11.793 -3.301 308 2HB ALA 40 2HB ALA 40 -10.877 -10.398 -2.523 309 3HB ALA 40 3HB ALA 40 -9.367 -10.182 -3.445 310 H THR 41 H THR 41 -6.868 -9.993 -2.039 311 HA THR 41 HA THR 41 -5.360 -12.527 -2.456 312 HB THR 41 HB THR 41 -5.813 -11.575 -4.614 313 HG1 THR 41 1HG THR 41 -3.227 -11.159 -3.632 314 1HG2 THR 41 1HG2 THR 41 -6.543 -9.388 -4.095 315 2HG2 THR 41 2HG2 THR 41 -4.908 -8.894 -3.595 316 3HG2 THR 41 3HG2 THR 41 -5.267 -9.325 -5.292 317 H ASN 42 H ASN 42 -5.835 -10.510 -0.159 318 HA ASN 42 HA ASN 42 -4.680 -9.125 1.235 319 1HB ASN 42 2HB ASN 42 -3.874 -11.930 1.359 320 2HB ASN 42 3HB ASN 42 -2.588 -10.918 1.995 321 1HD2 ASN 42 1HD2 ASN 42 -3.093 -9.376 3.697 322 2HD2 ASN 42 2HD2 ASN 42 -4.479 -9.669 4.764 323 H LYS 43 H LYS 43 -4.167 -8.010 -1.021 324 HA LYS 43 HA LYS 43 -1.302 -7.284 -0.872 325 1HB LYS 43 2HB LYS 43 -1.053 -8.776 -2.570 326 2HB LYS 43 3HB LYS 43 -2.703 -8.643 -3.138 327 1HG LYS 43 2HG LYS 43 -0.795 -6.322 -3.578 328 2HG LYS 43 3HG LYS 43 -0.691 -7.745 -4.574 329 1HD LYS 43 2HD LYS 43 -3.416 -6.437 -4.178 330 2HD LYS 43 3HD LYS 43 -2.254 -5.718 -5.299 331 1HE LYS 43 2HE LYS 43 -3.136 -8.622 -5.378 332 2HE LYS 43 3HE LYS 43 -3.950 -7.331 -6.278 333 1HZ LYS 43 1HZ LYS 43 -1.903 -6.883 -7.424 334 2HZ LYS 43 2HZ LYS 43 -1.124 -8.083 -6.642 335 3HZ LYS 43 3HZ LYS 43 -2.362 -8.441 -7.666 336 H ALA 44 H ALA 44 -0.821 -5.250 -1.466 337 HA ALA 44 HA ALA 44 -3.073 -3.394 -2.083 338 1HB ALA 44 1HB ALA 44 -1.777 -2.828 0.006 339 2HB ALA 44 2HB ALA 44 -0.378 -2.571 -1.046 340 3HB ALA 44 3HB ALA 44 -1.828 -1.590 -1.259 341 H HIS 45 H HIS 45 -3.249 -2.994 -4.126 342 HA HIS 45 HA HIS 45 -0.885 -2.922 -5.942 343 1HB HIS 45 2HB HIS 45 -3.077 -4.009 -6.675 344 2HB HIS 45 3HB HIS 45 -3.826 -2.419 -6.490 345 HD1 HIS 45 1HD HIS 45 -2.343 -4.441 -9.080 346 HD2 HIS 45 2HD HIS 45 -1.987 -0.528 -7.898 347 HE1 HIS 45 1HE HIS 45 -1.805 -3.135 -11.222 348 H ILE 46 H ILE 46 0.216 -1.160 -5.090 349 HA ILE 46 HA ILE 46 -1.311 1.394 -4.946 350 HB ILE 46 HB ILE 46 1.421 0.579 -3.941 351 1HG1 ILE 46 2HG1 ILE 46 -1.063 1.722 -2.581 352 2HG1 ILE 46 3HG1 ILE 46 -0.662 -0.004 -2.647 353 1HG2 ILE 46 1HG2 ILE 46 0.211 3.381 -4.017 354 2HG2 ILE 46 2HG2 ILE 46 1.695 2.913 -3.169 355 3HG2 ILE 46 3HG2 ILE 46 1.639 2.833 -4.924 356 1HD1 ILE 46 1HD1 ILE 46 0.805 2.193 -1.204 357 2HD1 ILE 46 2HD1 ILE 46 0.017 0.744 -0.548 358 3HD1 ILE 46 3HD1 ILE 46 1.513 0.577 -1.494 359 H LYS 47 H LYS 47 -0.886 2.981 -6.412 360 HA LYS 47 HA LYS 47 1.273 2.480 -8.351 361 1HB LYS 47 2HB LYS 47 -1.472 3.531 -9.036 362 2HB LYS 47 3HB LYS 47 -0.035 3.952 -9.974 363 1HG LYS 47 2HG LYS 47 0.481 1.603 -10.351 364 2HG LYS 47 3HG LYS 47 -0.953 1.090 -9.463 365 1HD LYS 47 2HD LYS 47 -1.079 2.995 -11.854 366 2HD LYS 47 3HD LYS 47 -1.006 1.257 -12.115 367 1HE LYS 47 2HE LYS 47 -3.123 2.472 -10.289 368 2HE LYS 47 3HE LYS 47 -3.350 2.435 -12.040 369 1HZ LYS 47 1HZ LYS 47 -2.734 -0.014 -10.514 370 2HZ LYS 47 2HZ LYS 47 -4.274 0.511 -10.803 371 3HZ LYS 47 3HZ LYS 47 -3.272 0.119 -12.046 372 H TYR 48 H TYR 48 2.623 4.320 -8.492 373 HA TYR 48 HA TYR 48 1.970 6.775 -7.054 374 1HB TYR 48 2HB TYR 48 3.583 6.503 -5.342 375 2HB TYR 48 3HB TYR 48 2.615 5.044 -5.286 376 HD1 TYR 48 HD1 TYR 48 3.688 3.052 -6.946 377 HD2 TYR 48 HD2 TYR 48 5.851 6.195 -4.951 378 HE1 TYR 48 HE1 TYR 48 5.831 1.959 -7.510 379 HE2 TYR 48 HE2 TYR 48 7.893 4.786 -5.030 380 HH TYR 48 HH TYR 48 8.065 1.827 -7.009 381 H ASP 49 H ASP 49 4.072 8.167 -7.070 382 HA ASP 49 HA ASP 49 5.825 7.427 -9.401 383 1HB ASP 49 2HB ASP 49 4.745 9.437 -9.976 384 2HB ASP 49 3HB ASP 49 4.988 10.113 -8.379 385 HA PRO 50 HA PRO 50 8.482 6.787 -5.807 386 1HB PRO 50 2HB PRO 50 10.906 6.430 -7.122 387 2HB PRO 50 3HB PRO 50 9.675 5.154 -6.887 388 1HG PRO 50 2HG PRO 50 10.095 6.919 -9.297 389 2HG PRO 50 3HG PRO 50 9.831 5.153 -9.268 390 1HD PRO 50 2HD PRO 50 7.843 6.869 -9.814 391 2HD PRO 50 3HD PRO 50 7.504 5.444 -8.783 392 H GLU 51 H GLU 51 9.184 9.159 -8.440 393 HA GLU 51 HA GLU 51 11.410 10.272 -7.005 394 1HB GLU 51 2HB GLU 51 9.787 11.478 -9.278 395 2HB GLU 51 3HB GLU 51 11.425 11.937 -8.764 396 1HG GLU 51 2HG GLU 51 10.577 9.286 -10.023 397 2HG GLU 51 3HG GLU 51 11.591 10.537 -10.734 398 H ILE 52 H ILE 52 8.064 10.648 -6.470 399 HA ILE 52 HA ILE 52 8.580 13.097 -4.809 400 HB ILE 52 HB ILE 52 6.137 13.541 -5.074 401 1HG1 ILE 52 2HG1 ILE 52 6.381 11.551 -7.369 402 2HG1 ILE 52 3HG1 ILE 52 5.461 11.291 -5.888 403 1HG2 ILE 52 1HG2 ILE 52 7.995 14.714 -6.326 404 2HG2 ILE 52 2HG2 ILE 52 7.748 13.568 -7.664 405 3HG2 ILE 52 3HG2 ILE 52 6.459 14.704 -7.202 406 1HD1 ILE 52 1HD1 ILE 52 3.893 11.980 -7.567 407 2HD1 ILE 52 2HD1 ILE 52 4.138 13.422 -6.556 408 3HD1 ILE 52 3HD1 ILE 52 4.941 13.283 -8.138 409 H ILE 53 H ILE 53 8.380 9.877 -4.411 410 HA ILE 53 HA ILE 53 7.794 10.435 -1.638 411 HB ILE 53 HB ILE 53 5.443 10.235 -2.465 412 1HG1 ILE 53 2HG1 ILE 53 6.282 8.004 -0.623 413 2HG1 ILE 53 3HG1 ILE 53 6.172 9.743 -0.207 414 1HG2 ILE 53 1HG2 ILE 53 5.862 8.655 -4.288 415 2HG2 ILE 53 2HG2 ILE 53 6.056 7.350 -3.066 416 3HG2 ILE 53 3HG2 ILE 53 4.513 8.205 -3.256 417 1HD1 ILE 53 1HD1 ILE 53 3.777 9.708 -0.848 418 2HD1 ILE 53 2HD1 ILE 53 3.891 7.944 -1.079 419 3HD1 ILE 53 3HD1 ILE 53 4.163 8.640 0.525 420 H GLY 54 H GLY 54 8.454 7.925 -4.054 421 1HA GLY 54 2HA GLY 54 9.763 6.073 -3.928 422 2HA GLY 54 1HA GLY 54 10.384 6.623 -2.365 423 HA PRO 55 HA PRO 55 7.229 3.019 -1.956 424 1HB PRO 55 2HB PRO 55 8.930 0.921 -1.462 425 2HB PRO 55 3HB PRO 55 8.386 1.395 -3.096 426 1HG PRO 55 2HG PRO 55 10.984 2.150 -1.738 427 2HG PRO 55 3HG PRO 55 10.752 1.511 -3.391 428 1HD PRO 55 2HD PRO 55 11.031 4.173 -2.938 429 2HD PRO 55 3HD PRO 55 9.879 3.573 -4.165 430 H ARG 56 H ARG 56 10.267 3.901 -0.303 431 HA ARG 56 HA ARG 56 9.799 2.701 2.143 432 1HB ARG 56 2HB ARG 56 11.476 5.007 1.231 433 2HB ARG 56 3HB ARG 56 11.080 4.949 2.944 434 1HG ARG 56 2HG ARG 56 11.819 2.476 2.928 435 2HG ARG 56 3HG ARG 56 12.374 2.732 1.293 436 1HD ARG 56 2HD ARG 56 14.135 2.834 3.159 437 2HD ARG 56 3HD ARG 56 14.141 4.099 1.935 438 HE ARG 56 HE ARG 56 14.161 5.533 3.638 439 1HH1 ARG 56 2HH2 ARG 56 11.944 2.953 4.771 440 2HH1 ARG 56 1HH2 ARG 56 11.223 4.033 5.952 441 1HH2 ARG 56 2HH1 ARG 56 13.440 6.676 5.521 442 2HH2 ARG 56 1HH1 ARG 56 12.134 5.966 6.449 443 H ASP 57 H ASP 57 8.496 5.954 1.195 444 HA ASP 57 HA ASP 57 7.476 6.244 3.872 445 1HB ASP 57 2HB ASP 57 8.058 8.165 2.301 446 2HB ASP 57 3HB ASP 57 6.487 7.848 1.539 447 H ILE 58 H ILE 58 6.167 4.905 0.906 448 HA ILE 58 HA ILE 58 3.426 4.657 1.789 449 HB ILE 58 HB ILE 58 5.202 3.200 -0.196 450 1HG1 ILE 58 2HG1 ILE 58 2.666 4.693 -0.822 451 2HG1 ILE 58 3HG1 ILE 58 4.124 5.623 -0.448 452 1HG2 ILE 58 1HG2 ILE 58 2.328 2.577 0.501 453 2HG2 ILE 58 2HG2 ILE 58 3.129 2.094 -1.013 454 3HG2 ILE 58 3HG2 ILE 58 3.719 1.468 0.523 455 1HD1 ILE 58 1HD1 ILE 58 3.984 3.497 -2.617 456 2HD1 ILE 58 2HD1 ILE 58 3.942 5.255 -2.864 457 3HD1 ILE 58 3HD1 ILE 58 5.388 4.495 -2.185 458 H ILE 59 H ILE 59 6.328 2.595 2.007 459 HA ILE 59 HA ILE 59 5.154 0.512 3.554 460 HB ILE 59 HB ILE 59 8.007 1.484 3.312 461 1HG1 ILE 59 2HG1 ILE 59 6.781 -1.102 2.279 462 2HG1 ILE 59 3HG1 ILE 59 6.604 0.391 1.355 463 1HG2 ILE 59 1HG2 ILE 59 8.656 -0.711 4.333 464 2HG2 ILE 59 2HG2 ILE 59 7.846 0.360 5.468 465 3HG2 ILE 59 3HG2 ILE 59 6.953 -0.992 4.734 466 1HD1 ILE 59 1HD1 ILE 59 9.035 0.720 1.343 467 2HD1 ILE 59 2HD1 ILE 59 9.253 -0.844 2.162 468 3HD1 ILE 59 3HD1 ILE 59 8.528 -0.776 0.540 469 H HIS 60 H HIS 60 6.875 3.524 4.681 470 HA HIS 60 HA HIS 60 6.549 3.177 7.431 471 1HB HIS 60 2HB HIS 60 5.947 5.809 5.994 472 2HB HIS 60 3HB HIS 60 6.261 5.580 7.695 473 HD1 HIS 60 1HD HIS 60 7.893 7.480 5.675 474 HD2 HIS 60 2HD HIS 60 8.974 3.769 7.362 475 HE1 HIS 60 1HE HIS 60 10.441 7.466 5.841 476 H THR 61 H THR 61 4.107 4.432 5.057 477 HA THR 61 HA THR 61 2.145 4.943 7.050 478 HB THR 61 HB THR 61 1.652 4.144 4.152 479 HG1 THR 61 1HG THR 61 1.876 6.345 3.772 480 1HG2 THR 61 1HG2 THR 61 -0.427 4.196 5.483 481 2HG2 THR 61 2HG2 THR 61 0.029 5.787 6.141 482 3HG2 THR 61 3HG2 THR 61 -0.357 5.612 4.421 483 H ILE 62 H ILE 62 2.566 2.056 4.961 484 HA ILE 62 HA ILE 62 0.259 0.733 5.977 485 HB ILE 62 HB ILE 62 2.660 -0.394 4.510 486 1HG1 ILE 62 2HG1 ILE 62 -0.066 0.334 3.366 487 2HG1 ILE 62 3HG1 ILE 62 1.235 1.514 3.421 488 1HG2 ILE 62 1HG2 ILE 62 -0.121 -1.490 5.135 489 2HG2 ILE 62 2HG2 ILE 62 0.846 -2.128 3.812 490 3HG2 ILE 62 3HG2 ILE 62 1.467 -2.239 5.461 491 1HD1 ILE 62 1HD1 ILE 62 2.716 -0.072 2.168 492 2HD1 ILE 62 2HD1 ILE 62 1.293 -1.109 1.914 493 3HD1 ILE 62 3HD1 ILE 62 1.312 0.537 1.280 494 H GLU 63 H GLU 63 3.728 0.374 6.847 495 HA GLU 63 HA GLU 63 3.353 -1.603 8.895 496 1HB GLU 63 2HB GLU 63 5.485 0.537 8.481 497 2HB GLU 63 3HB GLU 63 5.568 -0.751 9.691 498 1HG GLU 63 2HG GLU 63 5.466 -2.467 7.923 499 2HG GLU 63 3HG GLU 63 5.380 -1.210 6.681 500 H SER 64 H SER 64 3.638 1.976 9.048 501 HA SER 64 HA SER 64 3.427 2.057 11.864 502 1HB SER 64 2HB SER 64 4.478 3.844 10.530 503 2HB SER 64 3HB SER 64 2.887 4.322 9.908 504 HG SER 64 HG SER 64 2.406 4.373 12.355 505 H LEU 65 H LEU 65 0.770 1.932 9.423 506 HA LEU 65 HA LEU 65 -1.248 2.394 11.447 507 1HB LEU 65 2HB LEU 65 -1.184 0.769 8.892 508 2HB LEU 65 3HB LEU 65 -2.648 1.028 9.854 509 HG LEU 65 HG LEU 65 -0.988 3.408 8.903 510 1HD1 LEU 65 1HD1 LEU 65 -3.074 1.896 7.302 511 2HD1 LEU 65 2HD1 LEU 65 -2.336 3.457 6.866 512 3HD1 LEU 65 3HD1 LEU 65 -1.318 2.011 6.998 513 1HD2 LEU 65 1HD2 LEU 65 -2.690 3.926 10.528 514 2HD2 LEU 65 2HD2 LEU 65 -3.220 4.502 8.939 515 3HD2 LEU 65 3HD2 LEU 65 -3.906 3.005 9.622 516 H GLY 66 H GLY 66 -0.760 -0.875 10.022 517 1HA GLY 66 2HA GLY 66 0.435 -1.850 12.475 518 2HA GLY 66 1HA GLY 66 -1.251 -2.365 12.322 519 H PHE 67 H PHE 67 0.638 -2.067 9.302 520 HA PHE 67 HA PHE 67 0.171 -5.015 9.097 521 1HB PHE 67 2HB PHE 67 0.018 -2.923 6.960 522 2HB PHE 67 3HB PHE 67 -0.630 -4.556 6.925 523 HD1 PHE 67 1HD PHE 67 -2.183 -4.919 9.273 524 HD2 PHE 67 2HD PHE 67 -1.522 -1.197 7.219 525 HE1 PHE 67 1HE PHE 67 -4.392 -4.102 10.051 526 HE2 PHE 67 2HE PHE 67 -3.717 -0.369 8.025 527 HZ PHE 67 HZ PHE 67 -5.228 -1.893 9.236 528 H GLU 68 H GLU 68 1.831 -6.326 8.603 529 HA GLU 68 HA GLU 68 4.453 -5.162 8.038 530 1HB GLU 68 2HB GLU 68 3.542 -8.035 7.975 531 2HB GLU 68 3HB GLU 68 5.212 -7.437 8.012 532 1HG GLU 68 2HG GLU 68 4.920 -6.781 10.305 533 2HG GLU 68 3HG GLU 68 3.192 -7.188 10.280 534 H ALA 69 H ALA 69 3.989 -4.119 5.921 535 HA ALA 69 HA ALA 69 2.981 -5.802 3.799 536 1HB ALA 69 1HB ALA 69 3.639 -3.824 2.336 537 2HB ALA 69 2HB ALA 69 2.639 -3.389 3.730 538 3HB ALA 69 3HB ALA 69 4.387 -3.074 3.756 539 H SER 70 H SER 70 4.157 -6.321 1.768 540 HA SER 70 HA SER 70 7.125 -6.488 1.895 541 1HB SER 70 2HB SER 70 5.154 -8.800 1.823 542 2HB SER 70 3HB SER 70 6.873 -8.975 1.481 543 HG SER 70 HG SER 70 6.575 -7.620 3.779 544 H LEU 71 H LEU 71 7.538 -5.426 -0.027 545 HA LEU 71 HA LEU 71 5.766 -5.424 -2.267 546 1HB LEU 71 2HB LEU 71 7.672 -4.481 -3.525 547 2HB LEU 71 3HB LEU 71 7.081 -3.566 -2.149 548 HG LEU 71 HG LEU 71 9.335 -5.381 -1.457 549 1HD1 LEU 71 1HD1 LEU 71 10.043 -4.760 -3.729 550 2HD1 LEU 71 2HD1 LEU 71 9.771 -3.041 -3.361 551 3HD1 LEU 71 3HD1 LEU 71 11.044 -3.946 -2.513 552 1HD2 LEU 71 1HD2 LEU 71 8.377 -3.578 0.056 553 2HD2 LEU 71 2HD2 LEU 71 10.102 -3.354 -0.280 554 3HD2 LEU 71 3HD2 LEU 71 8.896 -2.369 -1.129 555 H VAL 72 H VAL 72 5.429 -6.756 -3.935 556 HA VAL 72 HA VAL 72 7.054 -9.253 -3.930 557 HB VAL 72 HB VAL 72 5.099 -10.233 -5.099 558 1HG1 VAL 72 1HG1 VAL 72 4.634 -9.130 -2.322 559 2HG1 VAL 72 2HG1 VAL 72 3.863 -10.568 -3.025 560 3HG1 VAL 72 3HG1 VAL 72 5.604 -10.568 -2.703 561 1HG2 VAL 72 1HG2 VAL 72 3.922 -8.089 -5.788 562 2HG2 VAL 72 2HG2 VAL 72 2.914 -9.249 -4.910 563 3HG2 VAL 72 3HG2 VAL 72 3.540 -7.829 -4.073 564 H LYS 73 H LYS 73 8.590 -9.336 -5.363 565 HA LYS 73 HA LYS 73 8.552 -7.966 -7.939 566 1HB LYS 73 2HB LYS 73 10.304 -10.050 -6.598 567 2HB LYS 73 3HB LYS 73 10.554 -9.622 -8.272 568 1HG LYS 73 2HG LYS 73 10.637 -7.665 -5.922 569 2HG LYS 73 3HG LYS 73 12.036 -8.399 -6.708 570 1HD LYS 73 2HD LYS 73 10.128 -6.340 -7.889 571 2HD LYS 73 3HD LYS 73 11.857 -6.186 -7.553 572 1HE LYS 73 2HE LYS 73 12.253 -8.064 -9.279 573 2HE LYS 73 3HE LYS 73 10.534 -7.933 -9.680 574 1HZ LYS 73 1HZ LYS 73 10.904 -5.672 -10.353 575 2HZ LYS 73 2HZ LYS 73 12.539 -5.821 -10.069 576 3HZ LYS 73 3HZ LYS 73 11.759 -6.738 -11.199 577 H ILE 74 H ILE 74 6.345 -8.731 -8.436 578 HA ILE 74 HA ILE 74 6.008 -11.467 -9.407 579 HB ILE 74 HB ILE 74 4.438 -8.932 -10.013 580 1HG1 ILE 74 2HG1 ILE 74 3.823 -11.198 -8.056 581 2HG1 ILE 74 3HG1 ILE 74 4.463 -9.620 -7.591 582 1HG2 ILE 74 1HG2 ILE 74 2.677 -10.458 -10.825 583 2HG2 ILE 74 2HG2 ILE 74 4.144 -10.741 -11.742 584 3HG2 ILE 74 3HG2 ILE 74 3.694 -11.866 -10.449 585 1HD1 ILE 74 1HD1 ILE 74 2.459 -8.514 -8.584 586 2HD1 ILE 74 2HD1 ILE 74 1.745 -10.125 -8.847 587 3HD1 ILE 74 3HD1 ILE 74 2.107 -9.578 -7.208 588 H GLU 75 H GLU 75 7.786 -11.936 -10.753 589 HA GLU 75 HA GLU 75 7.695 -10.897 -13.460 590 1HB GLU 75 2HB GLU 75 10.196 -10.924 -11.696 591 2HB GLU 75 3HB GLU 75 10.235 -10.861 -13.463 592 1HG GLU 75 2HG GLU 75 9.045 -8.715 -13.476 593 2HG GLU 75 3HG GLU 75 8.872 -8.765 -11.716 Start of MODEL 13 1 1H MET 1 H1 MET 1 11.407 8.055 -13.116 2 2H MET 1 H2 MET 1 12.501 7.996 -14.347 3 3H MET 1 H3 MET 1 11.011 8.695 -14.560 4 HA MET 1 HA MET 1 11.094 6.579 -15.612 5 1HB MET 1 2HB MET 1 11.350 4.549 -14.355 6 2HB MET 1 3HB MET 1 12.774 5.569 -14.225 7 1HG MET 1 2HG MET 1 12.114 6.235 -11.924 8 2HG MET 1 3HG MET 1 10.639 5.277 -12.069 9 1HE MET 1 1HE MET 1 14.873 3.522 -11.633 10 2HE MET 1 2HE MET 1 14.392 4.338 -13.134 11 3HE MET 1 3HE MET 1 14.497 5.261 -11.609 12 H GLY 2 H GLY 2 9.652 7.361 -12.409 13 1HA GLY 2 2HA GLY 2 7.499 7.717 -11.832 14 2HA GLY 2 1HA GLY 2 7.046 7.752 -13.541 15 H ASP 3 H ASP 3 7.032 5.556 -14.594 16 HA ASP 3 HA ASP 3 6.111 3.539 -14.922 17 1HB ASP 3 2HB ASP 3 7.154 2.929 -12.125 18 2HB ASP 3 3HB ASP 3 6.643 1.751 -13.337 19 H GLY 4 H GLY 4 5.287 4.254 -11.508 20 1HA GLY 4 2HA GLY 4 3.270 4.404 -10.443 21 2HA GLY 4 1HA GLY 4 2.506 4.605 -12.005 22 H VAL 5 H VAL 5 4.394 1.839 -10.729 23 HA VAL 5 HA VAL 5 2.016 0.299 -10.040 24 HB VAL 5 HB VAL 5 2.988 -1.692 -11.375 25 1HG1 VAL 5 1HG1 VAL 5 0.766 -0.625 -11.775 26 2HG1 VAL 5 2HG1 VAL 5 1.532 0.391 -13.023 27 3HG1 VAL 5 3HG1 VAL 5 1.508 -1.368 -13.201 28 1HG2 VAL 5 1HG2 VAL 5 3.988 -1.203 -13.544 29 2HG2 VAL 5 2HG2 VAL 5 4.007 0.533 -13.205 30 3HG2 VAL 5 3HG2 VAL 5 5.041 -0.570 -12.276 31 H LEU 6 H LEU 6 2.570 -0.398 -8.002 32 HA LEU 6 HA LEU 6 4.773 -2.142 -7.958 33 1HB LEU 6 2HB LEU 6 5.962 0.042 -7.464 34 2HB LEU 6 3HB LEU 6 5.088 0.089 -5.953 35 HG LEU 6 HG LEU 6 6.559 -2.452 -6.601 36 1HD1 LEU 6 1HD1 LEU 6 8.197 -0.759 -7.290 37 2HD1 LEU 6 2HD1 LEU 6 7.969 0.116 -5.761 38 3HD1 LEU 6 3HD1 LEU 6 8.692 -1.507 -5.760 39 1HD2 LEU 6 1HD2 LEU 6 5.247 -2.051 -4.474 40 2HD2 LEU 6 2HD2 LEU 6 6.923 -2.535 -4.252 41 3HD2 LEU 6 3HD2 LEU 6 6.452 -0.834 -4.027 42 H GLU 7 H GLU 7 4.547 -3.753 -6.595 43 HA GLU 7 HA GLU 7 1.902 -3.941 -5.305 44 1HB GLU 7 2HB GLU 7 3.261 -5.511 -7.172 45 2HB GLU 7 3HB GLU 7 3.559 -6.361 -5.653 46 1HG GLU 7 2HG GLU 7 1.498 -7.188 -6.496 47 2HG GLU 7 3HG GLU 7 1.048 -6.045 -5.203 48 H LEU 8 H LEU 8 1.776 -3.731 -3.178 49 HA LEU 8 HA LEU 8 4.092 -4.459 -1.420 50 1HB LEU 8 2HB LEU 8 1.685 -2.667 -1.184 51 2HB LEU 8 3HB LEU 8 2.370 -3.371 0.280 52 HG LEU 8 HG LEU 8 3.087 -1.035 -0.270 53 1HD1 LEU 8 1HD1 LEU 8 4.356 -2.370 1.316 54 2HD1 LEU 8 2HD1 LEU 8 5.281 -3.124 0.000 55 3HD1 LEU 8 3HD1 LEU 8 5.440 -1.390 0.306 56 1HD2 LEU 8 1HD2 LEU 8 4.850 -2.337 -2.345 57 2HD2 LEU 8 2HD2 LEU 8 3.389 -1.395 -2.750 58 3HD2 LEU 8 3HD2 LEU 8 4.761 -0.613 -1.941 59 H VAL 9 H VAL 9 3.897 -6.467 -0.410 60 HA VAL 9 HA VAL 9 1.219 -7.721 -0.192 61 HB VAL 9 HB VAL 9 3.313 -9.099 -0.543 62 1HG1 VAL 9 1HG1 VAL 9 4.679 -9.682 1.356 63 2HG1 VAL 9 2HG1 VAL 9 4.734 -7.924 1.162 64 3HG1 VAL 9 3HG1 VAL 9 3.742 -8.643 2.443 65 1HG2 VAL 9 1HG2 VAL 9 1.525 -9.709 1.837 66 2HG2 VAL 9 2HG2 VAL 9 1.186 -10.075 0.131 67 3HG2 VAL 9 3HG2 VAL 9 2.526 -10.884 0.958 68 H VAL 10 H VAL 10 0.049 -7.550 1.745 69 HA VAL 10 HA VAL 10 1.214 -5.945 3.955 70 HB VAL 10 HB VAL 10 -1.606 -5.506 2.888 71 1HG1 VAL 10 1HG1 VAL 10 -1.319 -5.090 5.303 72 2HG1 VAL 10 2HG1 VAL 10 0.153 -4.159 4.998 73 3HG1 VAL 10 3HG1 VAL 10 -1.414 -3.538 4.462 74 1HG2 VAL 10 1HG2 VAL 10 -0.122 -4.615 1.214 75 2HG2 VAL 10 2HG2 VAL 10 -0.716 -3.264 2.190 76 3HG2 VAL 10 3HG2 VAL 10 0.931 -3.894 2.451 77 H ARG 11 H ARG 11 1.259 -7.362 5.559 78 HA ARG 11 HA ARG 11 -0.756 -9.558 5.678 79 1HB ARG 11 2HB ARG 11 2.034 -9.197 6.836 80 2HB ARG 11 3HB ARG 11 1.012 -10.602 7.160 81 1HG ARG 11 2HG ARG 11 1.158 -11.366 4.914 82 2HG ARG 11 3HG ARG 11 1.750 -9.803 4.311 83 1HD ARG 11 2HD ARG 11 3.831 -10.011 5.499 84 2HD ARG 11 3HD ARG 11 3.311 -11.514 6.285 85 HE ARG 11 HE ARG 11 3.117 -11.897 3.495 86 1HH1 ARG 11 2HH2 ARG 11 5.642 -11.289 5.924 87 2HH1 ARG 11 1HH2 ARG 11 6.868 -12.192 5.106 88 1HH2 ARG 11 2HH1 ARG 11 4.752 -13.088 2.365 89 2HH2 ARG 11 1HH1 ARG 11 6.353 -13.215 3.020 90 H GLY 12 H GLY 12 -2.356 -9.057 6.992 91 1HA GLY 12 2HA GLY 12 -2.569 -9.132 9.581 92 2HA GLY 12 1HA GLY 12 -1.937 -7.480 9.500 93 H MET 13 H MET 13 -3.100 -6.554 7.173 94 HA MET 13 HA MET 13 -5.720 -5.872 7.901 95 1HB MET 13 2HB MET 13 -5.909 -4.928 5.636 96 2HB MET 13 3HB MET 13 -4.395 -4.532 6.418 97 1HG MET 13 2HG MET 13 -3.747 -4.964 4.262 98 2HG MET 13 3HG MET 13 -3.289 -6.428 5.117 99 1HE MET 13 1HE MET 13 -6.800 -6.024 2.184 100 2HE MET 13 2HE MET 13 -7.053 -5.771 3.926 101 3HE MET 13 3HE MET 13 -5.967 -4.687 3.019 102 H THR 14 H THR 14 -7.709 -6.698 7.502 103 HA THR 14 HA THR 14 -8.095 -9.209 6.005 104 HB THR 14 HB THR 14 -6.793 -9.874 8.006 105 HG1 THR 14 1HG THR 14 -9.515 -10.591 7.959 106 1HG2 THR 14 1HG2 THR 14 -7.455 -8.000 9.531 107 2HG2 THR 14 2HG2 THR 14 -9.079 -8.705 9.659 108 3HG2 THR 14 3HG2 THR 14 -7.671 -9.599 10.253 109 H CYS 15 H CYS 15 -9.455 -6.344 6.575 110 HA CYS 15 HA CYS 15 -12.208 -7.227 6.567 111 1HB CYS 15 2HB CYS 15 -11.863 -7.618 8.960 112 2HB CYS 15 3HB CYS 15 -10.962 -6.093 9.120 113 HG CYS 15 HG CYS 15 -13.223 -5.755 10.266 114 H ALA 16 H ALA 16 -13.495 -5.491 5.949 115 HA ALA 16 HA ALA 16 -12.965 -3.375 4.473 116 1HB ALA 16 1HB ALA 16 -14.980 -2.298 5.349 117 2HB ALA 16 2HB ALA 16 -15.198 -4.044 5.128 118 3HB ALA 16 3HB ALA 16 -14.958 -3.379 6.759 119 H SER 17 H SER 17 -12.953 -3.126 8.022 120 HA SER 17 HA SER 17 -12.300 -0.425 8.335 121 1HB SER 17 2HB SER 17 -11.586 -1.181 10.601 122 2HB SER 17 3HB SER 17 -13.148 -1.846 10.063 123 HG SER 17 HG SER 17 -11.613 -3.663 9.253 124 H CYS 18 H CYS 18 -10.055 -3.209 8.105 125 HA CYS 18 HA CYS 18 -7.621 -1.605 8.427 126 1HB CYS 18 2HB CYS 18 -8.106 -4.493 7.534 127 2HB CYS 18 3HB CYS 18 -6.525 -3.722 7.725 128 HG CYS 18 HG CYS 18 -6.874 -3.069 10.253 129 H VAL 19 H VAL 19 -9.415 -3.342 5.942 130 HA VAL 19 HA VAL 19 -7.920 -3.049 3.705 131 HB VAL 19 HB VAL 19 -10.824 -3.239 4.311 132 1HG1 VAL 19 1HG1 VAL 19 -11.122 -1.863 2.431 133 2HG1 VAL 19 2HG1 VAL 19 -9.861 -2.729 1.500 134 3HG1 VAL 19 3HG1 VAL 19 -11.406 -3.518 1.918 135 1HG2 VAL 19 1HG2 VAL 19 -10.679 -5.367 3.279 136 2HG2 VAL 19 2HG2 VAL 19 -9.064 -5.017 2.624 137 3HG2 VAL 19 3HG2 VAL 19 -9.304 -5.206 4.381 138 H HIS 20 H HIS 20 -10.603 -0.735 4.544 139 HA HIS 20 HA HIS 20 -9.737 0.974 2.495 140 1HB HIS 20 2HB HIS 20 -11.430 2.451 2.971 141 2HB HIS 20 3HB HIS 20 -12.063 0.838 3.285 142 HD1 HIS 20 1HD HIS 20 -13.407 3.439 4.577 143 HD2 HIS 20 2HD HIS 20 -10.285 1.239 6.208 144 HE1 HIS 20 1HE HIS 20 -13.346 4.041 7.065 145 H LYS 21 H LYS 21 -8.181 0.451 5.449 146 HA LYS 21 HA LYS 21 -7.740 3.165 6.314 147 1HB LYS 21 2HB LYS 21 -7.586 0.878 7.688 148 2HB LYS 21 3HB LYS 21 -5.984 0.780 6.990 149 1HG LYS 21 2HG LYS 21 -5.350 1.839 8.812 150 2HG LYS 21 3HG LYS 21 -5.834 3.301 7.948 151 1HD LYS 21 2HD LYS 21 -7.406 1.744 10.077 152 2HD LYS 21 3HD LYS 21 -6.630 3.315 10.235 153 1HE LYS 21 2HE LYS 21 -8.751 4.057 9.920 154 2HE LYS 21 3HE LYS 21 -8.221 4.027 8.249 155 1HZ LYS 21 1HZ LYS 21 -10.315 2.899 8.273 156 2HZ LYS 21 2HZ LYS 21 -9.295 1.630 8.322 157 3HZ LYS 21 3HZ LYS 21 -9.983 2.148 9.689 158 H ILE 22 H ILE 22 -5.973 0.680 4.557 159 HA ILE 22 HA ILE 22 -3.487 2.014 4.296 160 HB ILE 22 HB ILE 22 -4.848 -0.148 2.638 161 1HG1 ILE 22 2HG1 ILE 22 -2.601 -0.418 4.671 162 2HG1 ILE 22 3HG1 ILE 22 -4.290 -0.456 5.182 163 1HG2 ILE 22 1HG2 ILE 22 -2.482 -0.685 1.881 164 2HG2 ILE 22 2HG2 ILE 22 -3.112 0.839 1.258 165 3HG2 ILE 22 3HG2 ILE 22 -1.972 0.855 2.610 166 1HD1 ILE 22 1HD1 ILE 22 -3.541 -2.698 4.916 167 2HD1 ILE 22 2HD1 ILE 22 -4.790 -2.331 3.720 168 3HD1 ILE 22 3HD1 ILE 22 -3.078 -2.412 3.224 169 H GLU 23 H GLU 23 -6.146 1.644 1.906 170 HA GLU 23 HA GLU 23 -5.215 3.502 0.040 171 1HB GLU 23 2HB GLU 23 -7.706 3.713 -0.574 172 2HB GLU 23 3HB GLU 23 -6.884 2.141 -0.703 173 1HG GLU 23 2HG GLU 23 -8.594 1.268 0.240 174 2HG GLU 23 3HG GLU 23 -8.013 1.954 1.752 175 H SER 24 H SER 24 -7.965 4.409 2.189 176 HA SER 24 HA SER 24 -7.856 7.027 1.871 177 1HB SER 24 2HB SER 24 -8.836 7.343 4.096 178 2HB SER 24 3HB SER 24 -9.485 5.897 3.299 179 HG SER 24 HG SER 24 -8.147 4.643 4.549 180 H SER 25 H SER 25 -5.715 5.406 4.265 181 HA SER 25 HA SER 25 -4.422 7.760 5.168 182 1HB SER 25 2HB SER 25 -4.306 5.562 6.296 183 2HB SER 25 3HB SER 25 -3.264 4.944 5.002 184 HG SER 25 HG SER 25 -1.740 6.560 5.607 185 H LEU 26 H LEU 26 -3.152 5.353 2.716 186 HA LEU 26 HA LEU 26 -0.875 6.946 2.194 187 1HB LEU 26 2HB LEU 26 -2.159 4.957 0.311 188 2HB LEU 26 3HB LEU 26 -0.525 5.661 0.195 189 HG LEU 26 HG LEU 26 -1.424 3.923 2.504 190 1HD1 LEU 26 1HD1 LEU 26 0.216 3.288 0.033 191 2HD1 LEU 26 2HD1 LEU 26 -0.029 2.199 1.423 192 3HD1 LEU 26 3HD1 LEU 26 -1.402 2.670 0.418 193 1HD2 LEU 26 1HD2 LEU 26 0.357 5.398 3.200 194 2HD2 LEU 26 2HD2 LEU 26 1.040 3.796 2.913 195 3HD2 LEU 26 3HD2 LEU 26 1.268 5.086 1.713 196 H THR 27 H THR 27 -4.120 7.030 0.752 197 HA THR 27 HA THR 27 -3.500 8.539 -1.519 198 HB THR 27 HB THR 27 -6.052 8.588 0.132 199 HG1 THR 27 1HG THR 27 -5.466 6.530 -0.606 200 1HG2 THR 27 1HG2 THR 27 -6.078 10.450 -1.492 201 2HG2 THR 27 2HG2 THR 27 -5.510 9.355 -2.776 202 3HG2 THR 27 3HG2 THR 27 -7.119 9.136 -2.062 203 H LYS 28 H LYS 28 -3.506 9.660 1.866 204 HA LYS 28 HA LYS 28 -3.753 12.456 1.146 205 1HB LYS 28 2HB LYS 28 -3.273 12.986 3.365 206 2HB LYS 28 3HB LYS 28 -4.260 11.527 3.387 207 1HG LYS 28 2HG LYS 28 -2.724 10.667 4.807 208 2HG LYS 28 3HG LYS 28 -1.722 10.467 3.385 209 1HD LYS 28 2HD LYS 28 -0.321 11.489 4.913 210 2HD LYS 28 3HD LYS 28 -0.766 12.784 3.788 211 1HE LYS 28 2HE LYS 28 -2.485 13.593 5.434 212 2HE LYS 28 3HE LYS 28 -2.069 12.257 6.518 213 1HZ LYS 28 1HZ LYS 28 -0.997 14.281 7.164 214 2HZ LYS 28 2HZ LYS 28 0.134 13.176 6.716 215 3HZ LYS 28 3HZ LYS 28 -0.247 14.422 5.707 216 H HIS 29 H HIS 29 -1.163 10.210 0.725 217 HA HIS 29 HA HIS 29 0.952 12.283 0.697 218 1HB HIS 29 2HB HIS 29 1.134 9.374 -0.161 219 2HB HIS 29 3HB HIS 29 2.438 10.538 0.096 220 HD1 HIS 29 1HD HIS 29 3.776 9.394 2.021 221 HD2 HIS 29 2HD HIS 29 -0.386 9.093 2.371 222 HE1 HIS 29 1HE HIS 29 3.303 7.957 4.002 223 H ARG 30 H ARG 30 1.103 13.485 -1.166 224 HA ARG 30 HA ARG 30 -0.606 12.942 -3.355 225 1HB ARG 30 2HB ARG 30 0.289 15.160 -2.438 226 2HB ARG 30 3HB ARG 30 1.775 14.849 -3.351 227 1HG ARG 30 2HG ARG 30 0.487 14.911 -5.461 228 2HG ARG 30 3HG ARG 30 -1.031 15.043 -4.545 229 1HD ARG 30 2HD ARG 30 -0.245 17.187 -3.576 230 2HD ARG 30 3HD ARG 30 1.271 17.045 -4.509 231 HE ARG 30 HE ARG 30 -0.875 16.840 -6.328 232 1HH1 ARG 30 2HH2 ARG 30 0.552 19.234 -4.182 233 2HH1 ARG 30 1HH2 ARG 30 0.042 20.622 -5.091 234 1HH2 ARG 30 2HH1 ARG 30 -1.588 18.656 -7.586 235 2HH2 ARG 30 1HH1 ARG 30 -1.207 20.272 -7.088 236 H GLY 31 H GLY 31 2.179 11.242 -2.765 237 1HA GLY 31 2HA GLY 31 3.223 11.118 -5.488 238 2HA GLY 31 1HA GLY 31 3.739 10.175 -4.095 239 H ILE 32 H ILE 32 0.685 9.490 -3.712 240 HA ILE 32 HA ILE 32 0.838 7.119 -5.482 241 HB ILE 32 HB ILE 32 0.682 6.420 -3.305 242 1HG1 ILE 32 2HG1 ILE 32 -1.015 5.398 -4.957 243 2HG1 ILE 32 3HG1 ILE 32 -1.147 5.054 -3.236 244 1HG2 ILE 32 1HG2 ILE 32 0.209 8.254 -2.029 245 2HG2 ILE 32 2HG2 ILE 32 -1.408 8.494 -2.755 246 3HG2 ILE 32 3HG2 ILE 32 -1.059 7.072 -1.730 247 1HD1 ILE 32 1HD1 ILE 32 -2.858 7.166 -4.613 248 2HD1 ILE 32 2HD1 ILE 32 -3.352 5.515 -4.262 249 3HD1 ILE 32 3HD1 ILE 32 -2.978 6.607 -2.939 250 H LEU 33 H LEU 33 -0.576 6.589 -6.972 251 HA LEU 33 HA LEU 33 -2.627 8.588 -7.795 252 1HB LEU 33 2HB LEU 33 -1.497 6.230 -9.345 253 2HB LEU 33 3HB LEU 33 -2.502 7.545 -9.955 254 HG LEU 33 HG LEU 33 0.383 7.792 -8.966 255 1HD1 LEU 33 1HD1 LEU 33 0.878 8.209 -11.342 256 2HD1 LEU 33 2HD1 LEU 33 0.158 6.608 -11.109 257 3HD1 LEU 33 3HD1 LEU 33 -0.827 7.940 -11.758 258 1HD2 LEU 33 1HD2 LEU 33 -1.479 9.890 -10.173 259 2HD2 LEU 33 2HD2 LEU 33 -0.824 9.889 -8.518 260 3HD2 LEU 33 3HD2 LEU 33 0.265 10.091 -9.895 261 H TYR 34 H TYR 34 -2.125 5.056 -7.057 262 HA TYR 34 HA TYR 34 -4.997 4.847 -6.524 263 1HB TYR 34 2HB TYR 34 -4.337 4.336 -9.042 264 2HB TYR 34 3HB TYR 34 -3.598 2.879 -8.363 265 HD1 TYR 34 HD1 TYR 34 -6.815 4.784 -8.016 266 HD2 TYR 34 HD2 TYR 34 -4.894 0.963 -8.589 267 HE1 TYR 34 HE1 TYR 34 -8.999 3.700 -8.058 268 HE2 TYR 34 HE2 TYR 34 -7.078 -0.103 -8.829 269 HH TYR 34 HH TYR 34 -9.397 0.165 -8.648 270 H CYS 35 H CYS 35 -5.492 3.014 -5.211 271 HA CYS 35 HA CYS 35 -3.180 1.561 -4.027 272 1HB CYS 35 2HB CYS 35 -3.570 3.698 -2.731 273 2HB CYS 35 3HB CYS 35 -5.201 3.092 -2.359 274 HG CYS 35 HG CYS 35 -2.197 2.033 -1.688 275 H SER 36 H SER 36 -4.172 -0.160 -5.293 276 HA SER 36 HA SER 36 -6.919 -0.981 -4.608 277 1HB SER 36 2HB SER 36 -6.516 -1.068 -6.865 278 2HB SER 36 3HB SER 36 -4.922 -1.798 -6.694 279 HG SER 36 HG SER 36 -5.986 -3.675 -5.893 280 H VAL 37 H VAL 37 -6.467 -1.456 -2.325 281 HA VAL 37 HA VAL 37 -4.852 -3.864 -1.878 282 HB VAL 37 HB VAL 37 -4.744 -1.904 -0.322 283 1HG1 VAL 37 1HG1 VAL 37 -7.320 -3.068 0.817 284 2HG1 VAL 37 2HG1 VAL 37 -6.300 -1.804 1.513 285 3HG1 VAL 37 3HG1 VAL 37 -7.177 -1.491 0.000 286 1HG2 VAL 37 1HG2 VAL 37 -4.500 -3.410 1.641 287 2HG2 VAL 37 2HG2 VAL 37 -5.291 -4.708 0.724 288 3HG2 VAL 37 3HG2 VAL 37 -3.737 -4.050 0.191 289 H ALA 38 H ALA 38 -5.408 -5.832 -1.795 290 HA ALA 38 HA ALA 38 -8.309 -6.557 -1.627 291 1HB ALA 38 1HB ALA 38 -7.598 -6.728 -3.936 292 2HB ALA 38 2HB ALA 38 -6.132 -7.611 -3.464 293 3HB ALA 38 3HB ALA 38 -7.731 -8.362 -3.248 294 H LEU 39 H LEU 39 -8.360 -7.303 0.448 295 HA LEU 39 HA LEU 39 -6.365 -8.682 1.837 296 1HB LEU 39 2HB LEU 39 -8.007 -9.281 3.412 297 2HB LEU 39 3HB LEU 39 -8.454 -7.706 2.778 298 HG LEU 39 HG LEU 39 -9.949 -9.263 1.107 299 1HD1 LEU 39 1HD1 LEU 39 -9.221 -11.412 2.235 300 2HD1 LEU 39 2HD1 LEU 39 -9.864 -10.784 3.762 301 3HD1 LEU 39 3HD1 LEU 39 -10.953 -11.107 2.401 302 1HD2 LEU 39 1HD2 LEU 39 -10.672 -8.364 3.921 303 2HD2 LEU 39 2HD2 LEU 39 -10.830 -7.440 2.407 304 3HD2 LEU 39 3HD2 LEU 39 -11.840 -8.865 2.677 305 H ALA 40 H ALA 40 -8.466 -9.824 -0.699 306 HA ALA 40 HA ALA 40 -8.476 -12.612 -0.249 307 1HB ALA 40 1HB ALA 40 -9.858 -11.464 -1.956 308 2HB ALA 40 2HB ALA 40 -8.385 -11.078 -2.884 309 3HB ALA 40 3HB ALA 40 -8.887 -12.767 -2.674 310 H THR 41 H THR 41 -5.949 -10.462 -1.446 311 HA THR 41 HA THR 41 -4.102 -12.784 -1.756 312 HB THR 41 HB THR 41 -4.609 -12.044 -3.944 313 HG1 THR 41 1HG THR 41 -2.156 -11.198 -2.931 314 1HG2 THR 41 1HG2 THR 41 -5.688 -9.922 -3.554 315 2HG2 THR 41 2HG2 THR 41 -4.150 -9.180 -3.052 316 3HG2 THR 41 3HG2 THR 41 -4.401 -9.735 -4.728 317 H ASN 42 H ASN 42 -4.906 -10.721 0.445 318 HA ASN 42 HA ASN 42 -3.999 -9.053 1.721 319 1HB ASN 42 2HB ASN 42 -2.615 -11.648 2.069 320 2HB ASN 42 3HB ASN 42 -1.751 -10.296 2.792 321 1HD2 ASN 42 1HD2 ASN 42 -2.904 -8.836 4.258 322 2HD2 ASN 42 2HD2 ASN 42 -4.314 -9.424 5.149 323 H LYS 43 H LYS 43 -3.594 -7.966 -0.542 324 HA LYS 43 HA LYS 43 -0.872 -6.861 -0.421 325 1HB LYS 43 2HB LYS 43 -0.305 -8.560 -1.873 326 2HB LYS 43 3HB LYS 43 -1.907 -8.692 -2.567 327 1HG LYS 43 2HG LYS 43 -0.305 -6.249 -3.226 328 2HG LYS 43 3HG LYS 43 0.078 -7.780 -3.974 329 1HD LYS 43 2HD LYS 43 -2.838 -6.904 -3.935 330 2HD LYS 43 3HD LYS 43 -1.732 -6.142 -5.084 331 1HE LYS 43 2HE LYS 43 -2.154 -9.150 -4.827 332 2HE LYS 43 3HE LYS 43 -3.036 -8.104 -5.954 333 1HZ LYS 43 1HZ LYS 43 -0.945 -7.516 -6.968 334 2HZ LYS 43 2HZ LYS 43 -0.124 -8.516 -5.977 335 3HZ LYS 43 3HZ LYS 43 -1.204 -9.134 -7.051 336 H ALA 44 H ALA 44 -0.647 -4.891 -1.235 337 HA ALA 44 HA ALA 44 -2.973 -3.400 -2.338 338 1HB ALA 44 1HB ALA 44 -1.813 -1.391 -1.703 339 2HB ALA 44 2HB ALA 44 -2.055 -2.408 -0.278 340 3HB ALA 44 3HB ALA 44 -0.462 -2.325 -1.041 341 H HIS 45 H HIS 45 -2.993 -3.536 -4.462 342 HA HIS 45 HA HIS 45 -0.466 -3.261 -6.059 343 1HB HIS 45 2HB HIS 45 -2.405 -4.697 -6.858 344 2HB HIS 45 3HB HIS 45 -3.342 -3.212 -6.979 345 HD1 HIS 45 1HD HIS 45 -1.254 -5.317 -9.038 346 HD2 HIS 45 2HD HIS 45 -1.372 -1.287 -8.308 347 HE1 HIS 45 1HE HIS 45 -0.359 -4.216 -11.171 348 H ILE 46 H ILE 46 0.425 -1.430 -5.384 349 HA ILE 46 HA ILE 46 -1.296 0.976 -5.229 350 HB ILE 46 HB ILE 46 1.656 0.758 -4.604 351 1HG1 ILE 46 2HG1 ILE 46 -0.737 0.412 -2.755 352 2HG1 ILE 46 3HG1 ILE 46 0.502 -0.812 -3.132 353 1HG2 ILE 46 1HG2 ILE 46 -0.474 2.714 -3.615 354 2HG2 ILE 46 2HG2 ILE 46 1.295 2.877 -3.483 355 3HG2 ILE 46 3HG2 ILE 46 0.508 3.032 -5.048 356 1HD1 ILE 46 1HD1 ILE 46 0.894 1.746 -1.590 357 2HD1 ILE 46 2HD1 ILE 46 1.044 0.075 -1.015 358 3HD1 ILE 46 3HD1 ILE 46 2.229 0.715 -2.185 359 H LYS 47 H LYS 47 -1.012 2.590 -6.728 360 HA LYS 47 HA LYS 47 1.089 2.213 -8.807 361 1HB LYS 47 2HB LYS 47 -1.706 3.309 -9.155 362 2HB LYS 47 3HB LYS 47 -0.434 3.347 -10.372 363 1HG LYS 47 2HG LYS 47 -0.355 0.713 -9.866 364 2HG LYS 47 3HG LYS 47 -1.999 0.982 -9.287 365 1HD LYS 47 2HD LYS 47 -0.849 1.598 -12.042 366 2HD LYS 47 3HD LYS 47 -1.916 0.248 -11.639 367 1HE LYS 47 2HE LYS 47 -3.758 1.820 -11.124 368 2HE LYS 47 3HE LYS 47 -2.688 3.208 -11.394 369 1HZ LYS 47 1HZ LYS 47 -2.447 2.542 -13.666 370 2HZ LYS 47 2HZ LYS 47 -3.447 1.252 -13.451 371 3HZ LYS 47 3HZ LYS 47 -4.033 2.785 -13.306 372 H TYR 48 H TYR 48 2.615 3.733 -8.210 373 HA TYR 48 HA TYR 48 1.821 6.426 -7.448 374 1HB TYR 48 2HB TYR 48 2.955 6.354 -5.291 375 2HB TYR 48 3HB TYR 48 1.775 5.051 -5.298 376 HD1 TYR 48 HD1 TYR 48 5.342 5.965 -5.257 377 HD2 TYR 48 HD2 TYR 48 2.615 2.666 -5.600 378 HE1 TYR 48 HE1 TYR 48 7.092 4.418 -4.452 379 HE2 TYR 48 HE2 TYR 48 4.200 1.218 -4.398 380 HH TYR 48 HH TYR 48 7.604 2.251 -3.924 381 H ASP 49 H ASP 49 3.652 7.842 -7.452 382 HA ASP 49 HA ASP 49 5.755 6.901 -9.348 383 1HB ASP 49 2HB ASP 49 4.777 9.634 -8.522 384 2HB ASP 49 3HB ASP 49 6.217 9.374 -9.516 385 HA PRO 50 HA PRO 50 7.963 6.448 -5.392 386 1HB PRO 50 2HB PRO 50 10.394 5.473 -6.383 387 2HB PRO 50 3HB PRO 50 8.958 4.499 -5.964 388 1HG PRO 50 2HG PRO 50 9.825 5.464 -8.669 389 2HG PRO 50 3HG PRO 50 9.113 3.894 -8.233 390 1HD PRO 50 2HD PRO 50 7.697 5.905 -9.370 391 2HD PRO 50 3HD PRO 50 6.942 4.791 -8.182 392 H GLU 51 H GLU 51 9.753 7.818 -8.221 393 HA GLU 51 HA GLU 51 11.369 9.620 -7.633 394 1HB GLU 51 2HB GLU 51 8.943 10.940 -8.778 395 2HB GLU 51 3HB GLU 51 10.604 10.917 -9.360 396 1HG GLU 51 2HG GLU 51 8.511 8.700 -9.649 397 2HG GLU 51 3HG GLU 51 9.023 9.835 -10.884 398 H ILE 52 H ILE 52 8.001 10.172 -6.501 399 HA ILE 52 HA ILE 52 8.927 12.592 -4.975 400 HB ILE 52 HB ILE 52 6.533 13.325 -5.258 401 1HG1 ILE 52 2HG1 ILE 52 6.441 11.198 -7.449 402 2HG1 ILE 52 3HG1 ILE 52 5.669 11.017 -5.864 403 1HG2 ILE 52 1HG2 ILE 52 6.938 14.241 -7.477 404 2HG2 ILE 52 2HG2 ILE 52 8.461 14.191 -6.588 405 3HG2 ILE 52 3HG2 ILE 52 8.125 12.970 -7.831 406 1HD1 ILE 52 1HD1 ILE 52 4.315 13.056 -6.328 407 2HD1 ILE 52 2HD1 ILE 52 5.037 13.142 -7.957 408 3HD1 ILE 52 3HD1 ILE 52 4.052 11.747 -7.502 409 H ILE 53 H ILE 53 8.618 9.590 -4.128 410 HA ILE 53 HA ILE 53 7.591 10.286 -1.482 411 HB ILE 53 HB ILE 53 5.541 9.985 -2.835 412 1HG1 ILE 53 2HG1 ILE 53 5.860 7.916 -0.648 413 2HG1 ILE 53 3HG1 ILE 53 5.572 9.662 -0.437 414 1HG2 ILE 53 1HG2 ILE 53 6.491 8.142 -4.315 415 2HG2 ILE 53 2HG2 ILE 53 6.136 7.016 -2.975 416 3HG2 ILE 53 3HG2 ILE 53 4.837 7.936 -3.771 417 1HD1 ILE 53 1HD1 ILE 53 3.458 9.494 -1.672 418 2HD1 ILE 53 2HD1 ILE 53 3.683 7.750 -1.868 419 3HD1 ILE 53 3HD1 ILE 53 3.482 8.417 -0.249 420 H GLY 54 H GLY 54 8.554 7.660 -3.680 421 1HA GLY 54 2HA GLY 54 9.978 5.956 -3.411 422 2HA GLY 54 1HA GLY 54 10.434 6.550 -1.802 423 HA PRO 55 HA PRO 55 7.511 2.721 -1.604 424 1HB PRO 55 2HB PRO 55 9.423 0.836 -0.875 425 2HB PRO 55 3HB PRO 55 8.843 1.097 -2.533 426 1HG PRO 55 2HG PRO 55 11.357 2.161 -1.253 427 2HG PRO 55 3HG PRO 55 11.148 1.478 -2.891 428 1HD PRO 55 2HD PRO 55 11.240 4.160 -2.458 429 2HD PRO 55 3HD PRO 55 10.159 3.462 -3.697 430 H ARG 56 H ARG 56 10.461 3.558 0.223 431 HA ARG 56 HA ARG 56 9.985 2.507 2.662 432 1HB ARG 56 2HB ARG 56 11.108 5.320 2.373 433 2HB ARG 56 3HB ARG 56 11.419 4.127 3.629 434 1HG ARG 56 2HG ARG 56 13.262 3.611 2.475 435 2HG ARG 56 3HG ARG 56 12.196 2.707 1.397 436 1HD ARG 56 2HD ARG 56 11.976 4.881 0.021 437 2HD ARG 56 3HD ARG 56 13.180 5.587 1.115 438 HE ARG 56 HE ARG 56 14.241 3.167 0.113 439 1HH1 ARG 56 2HH2 ARG 56 13.395 6.398 -1.018 440 2HH1 ARG 56 1HH2 ARG 56 14.534 6.425 -2.326 441 1HH2 ARG 56 2HH1 ARG 56 15.796 3.166 -1.605 442 2HH2 ARG 56 1HH1 ARG 56 15.947 4.539 -2.652 443 H ASP 57 H ASP 57 8.846 5.802 1.764 444 HA ASP 57 HA ASP 57 7.644 6.474 4.223 445 1HB ASP 57 2HB ASP 57 8.166 8.094 2.469 446 2HB ASP 57 3HB ASP 57 7.049 7.302 1.348 447 H ILE 58 H ILE 58 6.275 4.920 1.314 448 HA ILE 58 HA ILE 58 3.578 4.755 2.321 449 HB ILE 58 HB ILE 58 5.115 3.401 0.092 450 1HG1 ILE 58 2HG1 ILE 58 2.541 4.937 -0.211 451 2HG1 ILE 58 3HG1 ILE 58 4.021 5.858 0.137 452 1HG2 ILE 58 1HG2 ILE 58 2.293 2.808 1.025 453 2HG2 ILE 58 2HG2 ILE 58 2.882 2.429 -0.604 454 3HG2 ILE 58 3HG2 ILE 58 3.622 1.646 0.790 455 1HD1 ILE 58 1HD1 ILE 58 3.792 3.827 -2.109 456 2HD1 ILE 58 2HD1 ILE 58 3.578 5.576 -2.302 457 3HD1 ILE 58 3HD1 ILE 58 5.147 4.925 -1.757 458 H ILE 59 H ILE 59 6.288 2.426 2.170 459 HA ILE 59 HA ILE 59 5.053 0.238 3.444 460 HB ILE 59 HB ILE 59 7.938 1.183 3.498 461 1HG1 ILE 59 2HG1 ILE 59 6.716 -1.249 2.161 462 2HG1 ILE 59 3HG1 ILE 59 6.690 0.336 1.368 463 1HG2 ILE 59 1HG2 ILE 59 7.654 -0.168 5.527 464 2HG2 ILE 59 2HG2 ILE 59 6.769 -1.408 4.614 465 3HG2 ILE 59 3HG2 ILE 59 8.496 -1.129 4.324 466 1HD1 ILE 59 1HD1 ILE 59 9.171 0.461 1.580 467 2HD1 ILE 59 2HD1 ILE 59 9.173 -1.212 2.183 468 3HD1 ILE 59 3HD1 ILE 59 8.559 -0.854 0.554 469 H HIS 60 H HIS 60 7.065 2.758 5.048 470 HA HIS 60 HA HIS 60 6.642 2.079 7.697 471 1HB HIS 60 2HB HIS 60 6.688 4.892 6.510 472 2HB HIS 60 3HB HIS 60 6.932 4.487 8.210 473 HD1 HIS 60 1HD HIS 60 9.075 5.855 6.067 474 HD2 HIS 60 2HD HIS 60 8.991 2.008 7.765 475 HE1 HIS 60 1HE HIS 60 11.483 4.993 6.037 476 H THR 61 H THR 61 4.509 4.094 5.578 477 HA THR 61 HA THR 61 2.683 4.637 7.725 478 HB THR 61 HB THR 61 2.204 4.699 4.727 479 HG1 THR 61 1HG THR 61 3.925 6.004 5.284 480 1HG2 THR 61 1HG2 THR 61 0.801 6.063 7.079 481 2HG2 THR 61 2HG2 THR 61 0.527 6.442 5.371 482 3HG2 THR 61 3HG2 THR 61 0.086 4.843 6.002 483 H ILE 62 H ILE 62 2.682 2.108 5.170 484 HA ILE 62 HA ILE 62 0.197 0.899 5.798 485 HB ILE 62 HB ILE 62 2.750 -0.290 4.650 486 1HG1 ILE 62 2HG1 ILE 62 0.081 0.392 3.369 487 2HG1 ILE 62 3HG1 ILE 62 1.451 1.498 3.369 488 1HG2 ILE 62 1HG2 ILE 62 -0.033 -1.522 4.801 489 2HG2 ILE 62 2HG2 ILE 62 1.370 -2.201 3.958 490 3HG2 ILE 62 3HG2 ILE 62 1.385 -2.098 5.705 491 1HD1 ILE 62 1HD1 ILE 62 2.828 -0.270 2.209 492 2HD1 ILE 62 2HD1 ILE 62 1.336 -1.219 2.001 493 3HD1 ILE 62 3HD1 ILE 62 1.474 0.375 1.264 494 H GLU 63 H GLU 63 3.503 -0.149 6.902 495 HA GLU 63 HA GLU 63 2.339 -2.096 8.621 496 1HB GLU 63 2HB GLU 63 4.741 -1.761 9.831 497 2HB GLU 63 3HB GLU 63 4.469 -2.764 8.415 498 1HG GLU 63 2HG GLU 63 5.301 -1.144 6.917 499 2HG GLU 63 3HG GLU 63 5.349 0.124 8.185 500 H SER 64 H SER 64 3.499 1.220 9.267 501 HA SER 64 HA SER 64 3.044 1.138 12.039 502 1HB SER 64 2HB SER 64 4.464 2.810 10.944 503 2HB SER 64 3HB SER 64 3.036 3.583 10.238 504 HG SER 64 HG SER 64 2.349 3.563 12.637 505 H LEU 65 H LEU 65 0.510 1.510 9.478 506 HA LEU 65 HA LEU 65 -1.450 2.454 11.382 507 1HB LEU 65 2HB LEU 65 -1.682 0.767 8.889 508 2HB LEU 65 3HB LEU 65 -3.070 1.347 9.812 509 HG LEU 65 HG LEU 65 -0.983 3.358 8.937 510 1HD1 LEU 65 1HD1 LEU 65 -2.094 3.619 6.786 511 2HD1 LEU 65 2HD1 LEU 65 -1.377 2.011 7.007 512 3HD1 LEU 65 3HD1 LEU 65 -3.146 2.222 7.143 513 1HD2 LEU 65 1HD2 LEU 65 -2.687 4.168 10.425 514 2HD2 LEU 65 2HD2 LEU 65 -2.888 4.867 8.811 515 3HD2 LEU 65 3HD2 LEU 65 -3.966 3.569 9.359 516 H GLY 66 H GLY 66 -1.020 -0.966 10.169 517 1HA GLY 66 2HA GLY 66 -0.875 -1.890 12.908 518 2HA GLY 66 1HA GLY 66 -2.463 -2.227 12.208 519 H PHE 67 H PHE 67 0.551 -2.392 10.225 520 HA PHE 67 HA PHE 67 -0.028 -5.351 9.997 521 1HB PHE 67 2HB PHE 67 0.619 -3.523 7.693 522 2HB PHE 67 3HB PHE 67 -0.023 -5.158 7.633 523 HD1 PHE 67 1HD PHE 67 -2.313 -5.194 9.395 524 HD2 PHE 67 2HD PHE 67 -0.932 -1.930 6.950 525 HE1 PHE 67 1HE PHE 67 -4.540 -4.158 9.531 526 HE2 PHE 67 2HE PHE 67 -3.125 -0.833 7.184 527 HZ PHE 67 HZ PHE 67 -4.977 -1.994 8.355 528 H GLU 68 H GLU 68 1.547 -6.490 8.619 529 HA GLU 68 HA GLU 68 4.356 -5.467 8.750 530 1HB GLU 68 2HB GLU 68 4.180 -7.677 9.785 531 2HB GLU 68 3HB GLU 68 3.189 -8.273 8.461 532 1HG GLU 68 2HG GLU 68 5.189 -7.956 6.916 533 2HG GLU 68 3HG GLU 68 6.142 -7.549 8.356 534 H ALA 69 H ALA 69 5.368 -5.456 6.534 535 HA ALA 69 HA ALA 69 3.640 -6.109 4.306 536 1HB ALA 69 1HB ALA 69 3.672 -3.812 3.325 537 2HB ALA 69 2HB ALA 69 2.832 -3.839 4.886 538 3HB ALA 69 3HB ALA 69 4.490 -3.209 4.784 539 H SER 70 H SER 70 4.744 -5.805 2.178 540 HA SER 70 HA SER 70 7.605 -5.270 2.270 541 1HB SER 70 2HB SER 70 7.067 -7.838 2.944 542 2HB SER 70 3HB SER 70 7.032 -8.017 1.186 543 HG SER 70 HG SER 70 9.139 -7.004 2.786 544 H LEU 71 H LEU 71 8.471 -4.789 0.256 545 HA LEU 71 HA LEU 71 6.539 -4.176 -1.875 546 1HB LEU 71 2HB LEU 71 8.545 -3.189 -2.967 547 2HB LEU 71 3HB LEU 71 8.175 -2.495 -1.397 548 HG LEU 71 HG LEU 71 10.140 -4.745 -1.307 549 1HD1 LEU 71 1HD1 LEU 71 10.804 -3.750 -3.455 550 2HD1 LEU 71 2HD1 LEU 71 10.834 -2.133 -2.716 551 3HD1 LEU 71 3HD1 LEU 71 11.996 -3.374 -2.198 552 1HD2 LEU 71 1HD2 LEU 71 10.358 -1.870 -0.321 553 2HD2 LEU 71 2HD2 LEU 71 9.590 -3.162 0.624 554 3HD2 LEU 71 3HD2 LEU 71 11.309 -3.265 0.208 555 H VAL 72 H VAL 72 5.978 -6.461 -2.039 556 HA VAL 72 HA VAL 72 7.695 -8.217 -3.594 557 HB VAL 72 HB VAL 72 5.784 -9.659 -3.791 558 1HG1 VAL 72 1HG1 VAL 72 5.811 -8.473 -1.000 559 2HG1 VAL 72 2HG1 VAL 72 5.359 -10.119 -1.480 560 3HG1 VAL 72 3HG1 VAL 72 7.038 -9.581 -1.652 561 1HG2 VAL 72 1HG2 VAL 72 3.963 -8.113 -4.272 562 2HG2 VAL 72 2HG2 VAL 72 3.568 -9.053 -2.841 563 3HG2 VAL 72 3HG2 VAL 72 4.119 -7.371 -2.671 564 H LYS 73 H LYS 73 5.675 -8.958 -5.699 565 HA LYS 73 HA LYS 73 5.780 -6.721 -7.528 566 1HB LYS 73 2HB LYS 73 7.814 -8.868 -7.413 567 2HB LYS 73 3HB LYS 73 6.825 -9.073 -8.826 568 1HG LYS 73 2HG LYS 73 8.836 -7.798 -9.322 569 2HG LYS 73 3HG LYS 73 7.356 -6.949 -9.721 570 1HD LYS 73 2HD LYS 73 9.013 -5.417 -8.769 571 2HD LYS 73 3HD LYS 73 7.572 -5.501 -7.771 572 1HE LYS 73 2HE LYS 73 9.006 -7.327 -6.416 573 2HE LYS 73 3HE LYS 73 10.375 -6.535 -7.195 574 1HZ LYS 73 1HZ LYS 73 9.623 -5.661 -4.939 575 2HZ LYS 73 2HZ LYS 73 9.666 -4.481 -6.121 576 3HZ LYS 73 3HZ LYS 73 8.258 -5.219 -5.634 577 H ILE 74 H ILE 74 4.577 -7.254 -9.293 578 HA ILE 74 HA ILE 74 3.116 -9.777 -9.428 579 HB ILE 74 HB ILE 74 1.428 -8.092 -8.789 580 1HG1 ILE 74 2HG1 ILE 74 1.192 -8.929 -11.711 581 2HG1 ILE 74 3HG1 ILE 74 0.894 -9.971 -10.310 582 1HG2 ILE 74 1HG2 ILE 74 2.094 -6.589 -11.357 583 2HG2 ILE 74 2HG2 ILE 74 0.884 -6.164 -10.139 584 3HG2 ILE 74 3HG2 ILE 74 2.592 -6.059 -9.735 585 1HD1 ILE 74 1HD1 ILE 74 -0.689 -7.488 -11.088 586 2HD1 ILE 74 2HD1 ILE 74 -1.226 -9.172 -11.116 587 3HD1 ILE 74 3HD1 ILE 74 -0.906 -8.377 -9.562 588 H GLU 75 H GLU 75 3.596 -10.656 -11.399 589 HA GLU 75 HA GLU 75 5.150 -11.156 -12.902 590 1HB GLU 75 2HB GLU 75 5.172 -9.692 -14.986 591 2HB GLU 75 3HB GLU 75 3.678 -10.488 -14.507 592 1HG GLU 75 2HG GLU 75 2.820 -8.355 -13.556 593 2HG GLU 75 3HG GLU 75 4.308 -7.551 -14.094 Start of MODEL 14 1 1H MET 1 H1 MET 1 -0.577 6.070 -17.054 2 2H MET 1 H2 MET 1 -1.135 4.563 -17.550 3 3H MET 1 H3 MET 1 -0.040 4.722 -16.309 4 HA MET 1 HA MET 1 1.375 4.184 -17.980 5 1HB MET 1 2HB MET 1 -0.261 6.100 -19.714 6 2HB MET 1 3HB MET 1 1.258 5.334 -20.205 7 1HG MET 1 2HG MET 1 0.195 3.086 -19.830 8 2HG MET 1 3HG MET 1 -1.358 3.900 -19.600 9 1HE MET 1 1HE MET 1 -1.988 5.398 -23.180 10 2HE MET 1 2HE MET 1 -2.592 5.284 -21.512 11 3HE MET 1 3HE MET 1 -1.139 6.254 -21.879 12 H GLY 2 H GLY 2 3.361 5.519 -18.454 13 1HA GLY 2 2HA GLY 2 4.868 7.043 -17.614 14 2HA GLY 2 1HA GLY 2 3.593 8.275 -17.736 15 H ASP 3 H ASP 3 4.059 5.247 -15.827 16 HA ASP 3 HA ASP 3 3.763 6.597 -13.272 17 1HB ASP 3 2HB ASP 3 1.789 5.449 -12.598 18 2HB ASP 3 3HB ASP 3 1.386 6.213 -14.133 19 H GLY 4 H GLY 4 3.848 4.808 -11.547 20 1HA GLY 4 2HA GLY 4 5.299 2.361 -12.441 21 2HA GLY 4 1HA GLY 4 5.649 3.202 -10.917 22 H VAL 5 H VAL 5 4.802 0.548 -11.038 23 HA VAL 5 HA VAL 5 2.171 0.630 -9.653 24 HB VAL 5 HB VAL 5 1.963 -0.670 -11.693 25 1HG1 VAL 5 1HG1 VAL 5 3.253 -2.716 -12.101 26 2HG1 VAL 5 2HG1 VAL 5 4.311 -1.301 -12.115 27 3HG1 VAL 5 3HG1 VAL 5 4.285 -2.376 -10.700 28 1HG2 VAL 5 1HG2 VAL 5 0.834 -1.442 -9.591 29 2HG2 VAL 5 2HG2 VAL 5 1.144 -2.733 -10.769 30 3HG2 VAL 5 3HG2 VAL 5 2.169 -2.588 -9.336 31 H LEU 6 H LEU 6 2.128 -0.537 -7.680 32 HA LEU 6 HA LEU 6 4.698 -1.552 -6.587 33 1HB LEU 6 2HB LEU 6 4.575 0.780 -5.928 34 2HB LEU 6 3HB LEU 6 2.882 0.615 -5.473 35 HG LEU 6 HG LEU 6 3.512 -0.864 -3.583 36 1HD1 LEU 6 1HD1 LEU 6 5.546 -1.895 -4.482 37 2HD1 LEU 6 2HD1 LEU 6 6.352 -0.315 -4.564 38 3HD1 LEU 6 3HD1 LEU 6 5.930 -1.024 -2.988 39 1HD2 LEU 6 1HD2 LEU 6 3.350 1.558 -3.213 40 2HD2 LEU 6 2HD2 LEU 6 4.652 0.870 -2.228 41 3HD2 LEU 6 3HD2 LEU 6 5.040 1.770 -3.710 42 H GLU 7 H GLU 7 4.138 -3.655 -6.140 43 HA GLU 7 HA GLU 7 1.442 -4.195 -4.974 44 1HB GLU 7 2HB GLU 7 2.924 -5.645 -7.145 45 2HB GLU 7 3HB GLU 7 1.761 -6.507 -6.105 46 1HG GLU 7 2HG GLU 7 0.030 -4.843 -6.572 47 2HG GLU 7 3HG GLU 7 1.228 -3.901 -7.465 48 H LEU 8 H LEU 8 1.628 -4.629 -2.984 49 HA LEU 8 HA LEU 8 3.701 -6.550 -2.128 50 1HB LEU 8 2HB LEU 8 3.828 -5.308 0.050 51 2HB LEU 8 3HB LEU 8 4.370 -4.378 -1.346 52 HG LEU 8 HG LEU 8 1.888 -3.427 -1.278 53 1HD1 LEU 8 1HD1 LEU 8 1.111 -3.172 1.054 54 2HD1 LEU 8 2HD1 LEU 8 1.174 -4.888 0.667 55 3HD1 LEU 8 3HD1 LEU 8 2.455 -4.164 1.640 56 1HD2 LEU 8 1HD2 LEU 8 3.983 -2.142 -1.099 57 2HD2 LEU 8 2HD2 LEU 8 2.740 -1.554 0.004 58 3HD2 LEU 8 3HD2 LEU 8 4.079 -2.546 0.629 59 H VAL 9 H VAL 9 3.140 -8.121 -0.759 60 HA VAL 9 HA VAL 9 0.276 -8.586 -0.337 61 HB VAL 9 HB VAL 9 1.777 -10.449 -0.919 62 1HG1 VAL 9 1HG1 VAL 9 3.234 -11.464 0.762 63 2HG1 VAL 9 2HG1 VAL 9 3.802 -9.846 0.358 64 3HG1 VAL 9 3HG1 VAL 9 2.935 -10.128 1.885 65 1HG2 VAL 9 1HG2 VAL 9 -0.345 -10.897 0.170 66 2HG2 VAL 9 2HG2 VAL 9 0.880 -12.034 0.739 67 3HG2 VAL 9 3HG2 VAL 9 0.389 -10.682 1.777 68 H VAL 10 H VAL 10 -0.720 -8.299 1.670 69 HA VAL 10 HA VAL 10 0.865 -6.827 3.728 70 HB VAL 10 HB VAL 10 -2.003 -6.616 4.083 71 1HG1 VAL 10 1HG1 VAL 10 -0.302 -5.205 5.168 72 2HG1 VAL 10 2HG1 VAL 10 0.178 -4.569 3.580 73 3HG1 VAL 10 3HG1 VAL 10 -1.432 -4.209 4.236 74 1HG2 VAL 10 1HG2 VAL 10 -1.025 -5.490 1.446 75 2HG2 VAL 10 2HG2 VAL 10 -2.298 -6.713 1.710 76 3HG2 VAL 10 3HG2 VAL 10 -2.537 -5.063 2.277 77 H ARG 11 H ARG 11 0.476 -7.381 5.905 78 HA ARG 11 HA ARG 11 -0.748 -10.055 6.358 79 1HB ARG 11 2HB ARG 11 2.048 -9.010 6.758 80 2HB ARG 11 3HB ARG 11 1.464 -10.255 7.874 81 1HG ARG 11 2HG ARG 11 1.341 -10.653 4.863 82 2HG ARG 11 3HG ARG 11 2.854 -10.873 5.746 83 1HD ARG 11 2HD ARG 11 1.790 -12.554 7.239 84 2HD ARG 11 3HD ARG 11 0.239 -12.242 6.477 85 HE ARG 11 HE ARG 11 0.773 -13.607 4.733 86 1HH1 ARG 11 2HH2 ARG 11 3.764 -12.714 6.368 87 2HH1 ARG 11 1HH2 ARG 11 4.775 -13.837 5.518 88 1HH2 ARG 11 2HH1 ARG 11 2.073 -15.126 3.568 89 2HH2 ARG 11 1HH1 ARG 11 3.774 -15.241 3.874 90 H GLY 12 H GLY 12 -1.940 -10.158 8.080 91 1HA GLY 12 2HA GLY 12 -2.785 -9.686 10.220 92 2HA GLY 12 1HA GLY 12 -1.666 -8.324 10.395 93 H MET 13 H MET 13 -3.167 -8.439 7.330 94 HA MET 13 HA MET 13 -4.812 -6.064 7.929 95 1HB MET 13 2HB MET 13 -2.797 -6.251 6.288 96 2HB MET 13 3HB MET 13 -3.878 -7.197 5.259 97 1HG MET 13 2HG MET 13 -4.242 -4.380 6.277 98 2HG MET 13 3HG MET 13 -3.728 -4.805 4.647 99 1HE MET 13 1HE MET 13 -5.196 -6.023 2.879 100 2HE MET 13 2HE MET 13 -5.877 -7.250 3.978 101 3HE MET 13 3HE MET 13 -6.960 -6.230 3.011 102 H THR 14 H THR 14 -7.073 -6.354 7.845 103 HA THR 14 HA THR 14 -8.233 -8.325 6.079 104 HB THR 14 HB THR 14 -7.605 -9.828 7.888 105 HG1 THR 14 1HG THR 14 -9.641 -10.616 8.305 106 1HG2 THR 14 1HG2 THR 14 -8.467 -9.562 10.182 107 2HG2 THR 14 2HG2 THR 14 -7.410 -8.208 9.761 108 3HG2 THR 14 3HG2 THR 14 -9.171 -7.989 9.763 109 H CYS 15 H CYS 15 -10.485 -8.201 6.043 110 HA CYS 15 HA CYS 15 -12.490 -7.183 5.905 111 1HB CYS 15 2HB CYS 15 -11.730 -6.131 8.666 112 2HB CYS 15 3HB CYS 15 -13.349 -6.060 7.953 113 HG CYS 15 HG CYS 15 -11.485 -8.744 8.364 114 H ALA 16 H ALA 16 -13.745 -5.216 5.782 115 HA ALA 16 HA ALA 16 -12.708 -3.384 3.997 116 1HB ALA 16 1HB ALA 16 -14.680 -2.005 4.542 117 2HB ALA 16 2HB ALA 16 -15.100 -3.730 4.409 118 3HB ALA 16 3HB ALA 16 -14.957 -2.969 6.011 119 H SER 17 H SER 17 -12.967 -3.071 7.515 120 HA SER 17 HA SER 17 -12.166 -0.558 8.142 121 1HB SER 17 2HB SER 17 -11.175 -1.563 10.150 122 2HB SER 17 3HB SER 17 -12.814 -2.105 9.732 123 HG SER 17 HG SER 17 -11.446 -3.875 8.535 124 H CYS 18 H CYS 18 -9.647 -3.097 8.374 125 HA CYS 18 HA CYS 18 -7.420 -1.476 8.290 126 1HB CYS 18 2HB CYS 18 -7.734 -4.253 7.095 127 2HB CYS 18 3HB CYS 18 -6.185 -3.461 7.427 128 HG CYS 18 HG CYS 18 -6.491 -3.168 9.963 129 H VAL 19 H VAL 19 -9.195 -2.892 5.520 130 HA VAL 19 HA VAL 19 -7.528 -2.011 3.478 131 HB VAL 19 HB VAL 19 -10.401 -2.822 3.687 132 1HG1 VAL 19 1HG1 VAL 19 -9.258 -1.552 1.197 133 2HG1 VAL 19 2HG1 VAL 19 -10.689 -2.613 1.249 134 3HG1 VAL 19 3HG1 VAL 19 -10.718 -1.082 2.118 135 1HG2 VAL 19 1HG2 VAL 19 -9.642 -4.549 2.127 136 2HG2 VAL 19 2HG2 VAL 19 -8.013 -3.841 2.153 137 3HG2 VAL 19 3HG2 VAL 19 -8.718 -4.516 3.637 138 H HIS 20 H HIS 20 -10.559 -0.245 4.454 139 HA HIS 20 HA HIS 20 -9.769 1.967 2.833 140 1HB HIS 20 2HB HIS 20 -11.668 3.072 3.370 141 2HB HIS 20 3HB HIS 20 -12.155 1.386 3.518 142 HD1 HIS 20 1HD HIS 20 -12.614 4.530 5.301 143 HD2 HIS 20 2HD HIS 20 -11.890 0.546 6.296 144 HE1 HIS 20 1HE HIS 20 -13.372 4.204 7.744 145 H LYS 21 H LYS 21 -9.113 1.161 6.217 146 HA LYS 21 HA LYS 21 -8.174 3.702 7.059 147 1HB LYS 21 2HB LYS 21 -8.523 1.907 8.631 148 2HB LYS 21 3HB LYS 21 -7.349 0.878 7.809 149 1HG LYS 21 2HG LYS 21 -6.457 1.751 9.871 150 2HG LYS 21 3HG LYS 21 -5.500 2.289 8.489 151 1HD LYS 21 2HD LYS 21 -6.610 4.509 8.566 152 2HD LYS 21 3HD LYS 21 -7.629 3.950 9.915 153 1HE LYS 21 2HE LYS 21 -5.541 3.570 11.274 154 2HE LYS 21 3HE LYS 21 -4.574 4.163 9.912 155 1HZ LYS 21 1HZ LYS 21 -4.916 5.849 11.546 156 2HZ LYS 21 2HZ LYS 21 -5.639 6.288 10.139 157 3HZ LYS 21 3HZ LYS 21 -6.550 5.750 11.404 158 H ILE 22 H ILE 22 -6.407 0.957 5.474 159 HA ILE 22 HA ILE 22 -3.919 2.310 5.178 160 HB ILE 22 HB ILE 22 -5.221 0.112 3.525 161 1HG1 ILE 22 2HG1 ILE 22 -2.834 0.003 5.418 162 2HG1 ILE 22 3HG1 ILE 22 -4.495 -0.301 5.942 163 1HG2 ILE 22 1HG2 ILE 22 -3.658 1.296 2.056 164 2HG2 ILE 22 2HG2 ILE 22 -2.415 1.282 3.326 165 3HG2 ILE 22 3HG2 ILE 22 -2.921 -0.218 2.538 166 1HD1 ILE 22 1HD1 ILE 22 -3.361 -2.391 5.503 167 2HD1 ILE 22 2HD1 ILE 22 -4.740 -2.160 4.419 168 3HD1 ILE 22 3HD1 ILE 22 -3.071 -1.949 3.826 169 H GLU 23 H GLU 23 -6.584 1.939 2.756 170 HA GLU 23 HA GLU 23 -5.379 3.549 0.813 171 1HB GLU 23 2HB GLU 23 -8.305 2.954 1.392 172 2HB GLU 23 3HB GLU 23 -7.773 3.791 -0.073 173 1HG GLU 23 2HG GLU 23 -6.382 1.976 -0.747 174 2HG GLU 23 3HG GLU 23 -6.597 1.121 0.789 175 H SER 24 H SER 24 -7.841 4.591 3.178 176 HA SER 24 HA SER 24 -7.902 7.326 2.524 177 1HB SER 24 2HB SER 24 -9.536 6.158 3.972 178 2HB SER 24 3HB SER 24 -8.316 6.021 5.255 179 HG SER 24 HG SER 24 -9.761 7.836 5.465 180 H SER 25 H SER 25 -5.535 5.522 4.563 181 HA SER 25 HA SER 25 -4.216 7.955 5.447 182 1HB SER 25 2HB SER 25 -4.100 5.721 6.582 183 2HB SER 25 3HB SER 25 -3.030 5.151 5.296 184 HG SER 25 HG SER 25 -1.585 6.837 5.897 185 H LEU 26 H LEU 26 -3.237 5.427 3.066 186 HA LEU 26 HA LEU 26 -0.905 6.684 2.184 187 1HB LEU 26 2HB LEU 26 -2.780 4.668 0.966 188 2HB LEU 26 3HB LEU 26 -1.407 5.292 0.040 189 HG LEU 26 HG LEU 26 0.217 4.484 1.490 190 1HD1 LEU 26 1HD1 LEU 26 -1.913 3.544 3.447 191 2HD1 LEU 26 2HD1 LEU 26 -0.177 3.233 3.547 192 3HD1 LEU 26 3HD1 LEU 26 -0.778 4.882 3.713 193 1HD2 LEU 26 1HD2 LEU 26 -0.679 2.871 -0.063 194 2HD2 LEU 26 2HD2 LEU 26 -0.419 2.011 1.472 195 3HD2 LEU 26 3HD2 LEU 26 -2.049 2.504 1.000 196 H THR 27 H THR 27 -4.197 6.954 0.795 197 HA THR 27 HA THR 27 -3.488 8.408 -1.510 198 HB THR 27 HB THR 27 -5.879 9.189 -1.440 199 HG1 THR 27 1HG THR 27 -6.047 7.619 0.899 200 1HG2 THR 27 1HG2 THR 27 -6.855 6.924 -1.609 201 2HG2 THR 27 2HG2 THR 27 -5.368 7.143 -2.549 202 3HG2 THR 27 3HG2 THR 27 -5.317 6.246 -1.029 203 H LYS 28 H LYS 28 -3.504 9.528 1.824 204 HA LYS 28 HA LYS 28 -3.843 12.332 1.256 205 1HB LYS 28 2HB LYS 28 -2.499 11.034 3.638 206 2HB LYS 28 3HB LYS 28 -3.174 12.658 3.572 207 1HG LYS 28 2HG LYS 28 -5.115 10.502 2.875 208 2HG LYS 28 3HG LYS 28 -4.450 10.378 4.499 209 1HD LYS 28 2HD LYS 28 -5.246 12.664 4.989 210 2HD LYS 28 3HD LYS 28 -5.801 12.839 3.302 211 1HE LYS 28 2HE LYS 28 -7.330 10.878 3.600 212 2HE LYS 28 3HE LYS 28 -6.783 10.697 5.271 213 1HZ LYS 28 1HZ LYS 28 -8.859 11.839 5.126 214 2HZ LYS 28 2HZ LYS 28 -7.723 12.859 5.740 215 3HZ LYS 28 3HZ LYS 28 -8.226 13.021 4.177 216 H HIS 29 H HIS 29 -1.131 10.139 0.890 217 HA HIS 29 HA HIS 29 0.999 12.054 1.285 218 1HB HIS 29 2HB HIS 29 0.888 9.558 -0.460 219 2HB HIS 29 3HB HIS 29 2.334 10.495 -0.078 220 HD1 HIS 29 1HD HIS 29 3.693 8.679 1.313 221 HD2 HIS 29 2HD HIS 29 -0.341 9.115 2.452 222 HE1 HIS 29 1HE HIS 29 3.247 7.007 3.113 223 H ARG 30 H ARG 30 -1.041 11.064 -1.432 224 HA ARG 30 HA ARG 30 -1.682 11.987 -3.332 225 1HB ARG 30 2HB ARG 30 -0.311 14.529 -2.372 226 2HB ARG 30 3HB ARG 30 -1.317 14.377 -3.811 227 1HG ARG 30 2HG ARG 30 -3.262 13.702 -2.450 228 2HG ARG 30 3HG ARG 30 -2.275 13.746 -0.988 229 1HD ARG 30 2HD ARG 30 -3.578 15.792 -1.145 230 2HD ARG 30 3HD ARG 30 -1.836 16.127 -1.284 231 HE ARG 30 HE ARG 30 -3.072 15.730 -3.869 232 1HH1 ARG 30 2HH2 ARG 30 -2.722 18.119 -1.312 233 2HH1 ARG 30 1HH2 ARG 30 -2.871 19.508 -2.344 234 1HH2 ARG 30 2HH1 ARG 30 -3.273 17.540 -5.296 235 2HH2 ARG 30 1HH1 ARG 30 -3.213 19.156 -4.677 236 H GLY 31 H GLY 31 1.558 11.375 -2.677 237 1HA GLY 31 2HA GLY 31 2.361 11.804 -5.475 238 2HA GLY 31 1HA GLY 31 3.363 11.139 -4.174 239 H ILE 32 H ILE 32 0.064 10.248 -5.176 240 HA ILE 32 HA ILE 32 0.830 7.508 -5.950 241 HB ILE 32 HB ILE 32 -1.132 8.281 -3.745 242 1HG1 ILE 32 2HG1 ILE 32 1.524 6.815 -3.680 243 2HG1 ILE 32 3HG1 ILE 32 1.044 8.322 -2.856 244 1HG2 ILE 32 1HG2 ILE 32 -2.013 6.415 -5.164 245 2HG2 ILE 32 2HG2 ILE 32 -0.496 5.532 -4.885 246 3HG2 ILE 32 3HG2 ILE 32 -1.623 5.856 -3.554 247 1HD1 ILE 32 1HD1 ILE 32 0.153 5.509 -2.217 248 2HD1 ILE 32 2HD1 ILE 32 0.987 6.678 -1.173 249 3HD1 ILE 32 3HD1 ILE 32 -0.708 6.958 -1.642 250 H LEU 33 H LEU 33 -0.615 6.775 -7.531 251 HA LEU 33 HA LEU 33 -2.691 8.721 -8.440 252 1HB LEU 33 2HB LEU 33 -1.359 6.373 -9.887 253 2HB LEU 33 3HB LEU 33 -2.683 7.345 -10.516 254 HG LEU 33 HG LEU 33 -0.800 8.112 -11.610 255 1HD1 LEU 33 1HD1 LEU 33 -1.178 10.160 -9.390 256 2HD1 LEU 33 2HD1 LEU 33 -0.638 10.448 -11.051 257 3HD1 LEU 33 3HD1 LEU 33 -2.303 9.915 -10.750 258 1HD2 LEU 33 1HD2 LEU 33 0.937 7.171 -10.153 259 2HD2 LEU 33 2HD2 LEU 33 1.287 8.829 -10.660 260 3HD2 LEU 33 3HD2 LEU 33 0.717 8.528 -9.014 261 H TYR 34 H TYR 34 -2.220 5.311 -7.407 262 HA TYR 34 HA TYR 34 -5.055 5.314 -6.765 263 1HB TYR 34 2HB TYR 34 -4.892 4.783 -9.285 264 2HB TYR 34 3HB TYR 34 -4.042 3.310 -8.818 265 HD1 TYR 34 HD1 TYR 34 -7.170 5.152 -7.836 266 HD2 TYR 34 HD2 TYR 34 -5.287 1.371 -8.719 267 HE1 TYR 34 HE1 TYR 34 -9.093 3.974 -6.884 268 HE2 TYR 34 HE2 TYR 34 -7.286 0.196 -7.958 269 HH TYR 34 HH TYR 34 -9.008 0.497 -6.321 270 H CYS 35 H CYS 35 -5.761 3.268 -5.813 271 HA CYS 35 HA CYS 35 -3.808 1.507 -4.481 272 1HB CYS 35 2HB CYS 35 -4.549 2.112 -2.286 273 2HB CYS 35 3HB CYS 35 -3.734 3.481 -3.060 274 HG CYS 35 HG CYS 35 -5.728 4.263 -1.549 275 H SER 36 H SER 36 -4.723 -0.410 -4.671 276 HA SER 36 HA SER 36 -7.546 -0.691 -3.784 277 1HB SER 36 2HB SER 36 -6.331 -1.983 -6.248 278 2HB SER 36 3HB SER 36 -7.542 -2.828 -5.268 279 HG SER 36 HG SER 36 -8.597 -1.692 -6.864 280 H VAL 37 H VAL 37 -7.062 -1.365 -1.772 281 HA VAL 37 HA VAL 37 -4.961 -3.418 -1.379 282 HB VAL 37 HB VAL 37 -6.705 -2.070 0.726 283 1HG1 VAL 37 1HG1 VAL 37 -5.470 -4.167 1.358 284 2HG1 VAL 37 2HG1 VAL 37 -3.966 -3.401 0.777 285 3HG1 VAL 37 3HG1 VAL 37 -4.830 -2.727 2.178 286 1HG2 VAL 37 1HG2 VAL 37 -5.399 -0.334 -0.565 287 2HG2 VAL 37 2HG2 VAL 37 -4.823 -0.554 1.085 288 3HG2 VAL 37 3HG2 VAL 37 -3.927 -1.264 -0.272 289 H ALA 38 H ALA 38 -5.724 -5.102 -2.549 290 HA ALA 38 HA ALA 38 -8.546 -5.870 -2.290 291 1HB ALA 38 1HB ALA 38 -6.243 -6.912 -3.956 292 2HB ALA 38 2HB ALA 38 -7.922 -7.528 -4.008 293 3HB ALA 38 3HB ALA 38 -7.563 -5.856 -4.487 294 H LEU 39 H LEU 39 -8.477 -6.338 -0.091 295 HA LEU 39 HA LEU 39 -7.384 -8.222 1.482 296 1HB LEU 39 2HB LEU 39 -9.690 -6.927 1.549 297 2HB LEU 39 3HB LEU 39 -10.346 -8.415 0.883 298 HG LEU 39 HG LEU 39 -9.050 -7.893 3.575 299 1HD1 LEU 39 1HD1 LEU 39 -11.743 -9.004 2.660 300 2HD1 LEU 39 2HD1 LEU 39 -11.252 -8.859 4.346 301 3HD1 LEU 39 3HD1 LEU 39 -11.433 -7.397 3.354 302 1HD2 LEU 39 1HD2 LEU 39 -9.658 -10.646 2.424 303 2HD2 LEU 39 2HD2 LEU 39 -8.078 -10.029 2.991 304 3HD2 LEU 39 3HD2 LEU 39 -9.380 -10.300 4.141 305 H ALA 40 H ALA 40 -9.285 -8.916 -1.431 306 HA ALA 40 HA ALA 40 -9.723 -11.690 -1.160 307 1HB ALA 40 1HB ALA 40 -10.068 -11.648 -3.603 308 2HB ALA 40 2HB ALA 40 -10.849 -10.254 -2.828 309 3HB ALA 40 3HB ALA 40 -9.308 -10.046 -3.697 310 H THR 41 H THR 41 -6.886 -9.919 -2.265 311 HA THR 41 HA THR 41 -5.366 -12.456 -2.703 312 HB THR 41 HB THR 41 -5.702 -11.402 -4.819 313 HG1 THR 41 1HG THR 41 -3.175 -10.990 -3.680 314 1HG2 THR 41 1HG2 THR 41 -6.482 -9.251 -4.230 315 2HG2 THR 41 2HG2 THR 41 -4.869 -8.765 -3.644 316 3HG2 THR 41 3HG2 THR 41 -5.167 -9.128 -5.371 317 H ASN 42 H ASN 42 -5.994 -10.629 -0.344 318 HA ASN 42 HA ASN 42 -5.157 -8.972 0.899 319 1HB ASN 42 2HB ASN 42 -4.950 -11.304 1.938 320 2HB ASN 42 3HB ASN 42 -3.198 -11.111 1.776 321 1HD2 ASN 42 1HD2 ASN 42 -5.026 -11.211 4.196 322 2HD2 ASN 42 2HD2 ASN 42 -4.845 -9.681 5.035 323 H LYS 43 H LYS 43 -4.318 -7.886 -1.156 324 HA LYS 43 HA LYS 43 -1.477 -7.206 -0.704 325 1HB LYS 43 2HB LYS 43 -1.033 -8.658 -2.396 326 2HB LYS 43 3HB LYS 43 -2.631 -8.559 -3.100 327 1HG LYS 43 2HG LYS 43 -0.736 -6.200 -3.409 328 2HG LYS 43 3HG LYS 43 -0.519 -7.622 -4.380 329 1HD LYS 43 2HD LYS 43 -3.266 -6.296 -4.203 330 2HD LYS 43 3HD LYS 43 -1.989 -5.670 -5.260 331 1HE LYS 43 2HE LYS 43 -3.056 -8.496 -5.284 332 2HE LYS 43 3HE LYS 43 -3.667 -7.217 -6.340 333 1HZ LYS 43 1HZ LYS 43 -1.470 -7.057 -7.343 334 2HZ LYS 43 2HZ LYS 43 -0.899 -8.245 -6.369 335 3HZ LYS 43 3HZ LYS 43 -2.062 -8.569 -7.477 336 H ALA 44 H ALA 44 -0.862 -5.199 -1.299 337 HA ALA 44 HA ALA 44 -3.019 -3.210 -1.895 338 1HB ALA 44 1HB ALA 44 -0.227 -2.663 -0.892 339 2HB ALA 44 2HB ALA 44 -1.605 -1.558 -1.036 340 3HB ALA 44 3HB ALA 44 -1.634 -2.844 0.180 341 H HIS 45 H HIS 45 -3.276 -3.147 -4.014 342 HA HIS 45 HA HIS 45 -0.880 -2.924 -5.812 343 1HB HIS 45 2HB HIS 45 -2.955 -4.268 -6.536 344 2HB HIS 45 3HB HIS 45 -3.836 -2.747 -6.485 345 HD1 HIS 45 1HD HIS 45 -1.772 -4.788 -8.821 346 HD2 HIS 45 2HD HIS 45 -2.566 -0.746 -8.031 347 HE1 HIS 45 1HE HIS 45 -1.284 -3.534 -10.981 348 H ILE 46 H ILE 46 0.045 -1.049 -5.252 349 HA ILE 46 HA ILE 46 -1.618 1.417 -5.282 350 HB ILE 46 HB ILE 46 1.066 0.740 -4.099 351 1HG1 ILE 46 2HG1 ILE 46 0.252 2.298 -2.342 352 2HG1 ILE 46 3HG1 ILE 46 -1.237 2.569 -3.254 353 1HG2 ILE 46 1HG2 ILE 46 1.629 3.169 -3.981 354 2HG2 ILE 46 2HG2 ILE 46 1.688 2.557 -5.633 355 3HG2 ILE 46 3HG2 ILE 46 0.287 3.500 -5.088 356 1HD1 ILE 46 1HD1 ILE 46 -1.426 0.909 -1.371 357 2HD1 ILE 46 2HD1 ILE 46 -1.890 0.232 -2.935 358 3HD1 ILE 46 3HD1 ILE 46 -0.287 -0.141 -2.245 359 H LYS 47 H LYS 47 -1.196 2.916 -6.859 360 HA LYS 47 HA LYS 47 0.781 2.271 -8.972 361 1HB LYS 47 2HB LYS 47 -2.024 3.308 -9.260 362 2HB LYS 47 3HB LYS 47 -0.814 3.587 -10.507 363 1HG LYS 47 2HG LYS 47 -1.310 0.779 -9.510 364 2HG LYS 47 3HG LYS 47 -2.497 1.479 -10.607 365 1HD LYS 47 2HD LYS 47 0.480 1.397 -11.239 366 2HD LYS 47 3HD LYS 47 -0.631 0.074 -11.651 367 1HE LYS 47 2HE LYS 47 -1.991 1.593 -13.055 368 2HE LYS 47 3HE LYS 47 -0.986 2.969 -12.580 369 1HZ LYS 47 1HZ LYS 47 -0.128 0.744 -14.295 370 2HZ LYS 47 2HZ LYS 47 -0.139 2.403 -14.572 371 3HZ LYS 47 3HZ LYS 47 0.907 1.826 -13.562 372 H TYR 48 H TYR 48 2.100 4.120 -9.338 373 HA TYR 48 HA TYR 48 1.592 6.604 -7.899 374 1HB TYR 48 2HB TYR 48 3.111 6.289 -6.139 375 2HB TYR 48 3HB TYR 48 2.010 4.937 -6.057 376 HD1 TYR 48 HD1 TYR 48 4.727 5.247 -4.716 377 HD2 TYR 48 HD2 TYR 48 3.516 3.168 -8.274 378 HE1 TYR 48 HE1 TYR 48 6.895 4.072 -4.781 379 HE2 TYR 48 HE2 TYR 48 5.683 2.037 -8.369 380 HH TYR 48 HH TYR 48 7.696 1.691 -7.330 381 H ASP 49 H ASP 49 3.707 7.875 -7.751 382 HA ASP 49 HA ASP 49 5.522 7.307 -10.046 383 1HB ASP 49 2HB ASP 49 4.817 9.594 -10.109 384 2HB ASP 49 3HB ASP 49 5.047 9.777 -8.365 385 HA PRO 50 HA PRO 50 7.859 5.573 -6.671 386 1HB PRO 50 2HB PRO 50 10.279 5.090 -7.815 387 2HB PRO 50 3HB PRO 50 8.797 4.225 -8.317 388 1HG PRO 50 2HG PRO 50 10.041 6.659 -9.634 389 2HG PRO 50 3HG PRO 50 9.524 5.136 -10.415 390 1HD PRO 50 2HD PRO 50 7.925 7.344 -10.364 391 2HD PRO 50 3HD PRO 50 7.231 5.705 -10.186 392 H GLU 51 H GLU 51 9.051 8.624 -8.160 393 HA GLU 51 HA GLU 51 11.299 8.613 -6.203 394 1HB GLU 51 2HB GLU 51 12.304 10.328 -7.614 395 2HB GLU 51 3HB GLU 51 12.076 8.774 -8.423 396 1HG GLU 51 2HG GLU 51 10.141 9.664 -9.665 397 2HG GLU 51 3HG GLU 51 10.290 11.210 -8.814 398 H ILE 52 H ILE 52 8.302 10.359 -7.012 399 HA ILE 52 HA ILE 52 8.999 12.631 -5.315 400 HB ILE 52 HB ILE 52 6.710 13.284 -5.447 401 1HG1 ILE 52 2HG1 ILE 52 6.189 10.530 -6.613 402 2HG1 ILE 52 3HG1 ILE 52 5.557 11.212 -5.123 403 1HG2 ILE 52 1HG2 ILE 52 8.293 13.649 -7.365 404 2HG2 ILE 52 2HG2 ILE 52 7.563 12.258 -8.182 405 3HG2 ILE 52 3HG2 ILE 52 6.587 13.692 -7.808 406 1HD1 ILE 52 1HD1 ILE 52 3.870 11.202 -6.884 407 2HD1 ILE 52 2HD1 ILE 52 4.231 12.854 -6.332 408 3HD1 ILE 52 3HD1 ILE 52 4.855 12.255 -7.894 409 H ILE 53 H ILE 53 7.897 9.409 -4.727 410 HA ILE 53 HA ILE 53 7.234 10.135 -1.912 411 HB ILE 53 HB ILE 53 5.391 9.539 -3.569 412 1HG1 ILE 53 2HG1 ILE 53 5.446 7.834 -1.087 413 2HG1 ILE 53 3HG1 ILE 53 5.250 9.610 -1.095 414 1HG2 ILE 53 1HG2 ILE 53 6.172 6.661 -3.078 415 2HG2 ILE 53 2HG2 ILE 53 4.995 7.356 -4.219 416 3HG2 ILE 53 3HG2 ILE 53 6.722 7.546 -4.511 417 1HD1 ILE 53 1HD1 ILE 53 3.433 7.842 -2.716 418 2HD1 ILE 53 2HD1 ILE 53 3.084 8.365 -1.059 419 3HD1 ILE 53 3HD1 ILE 53 3.290 9.570 -2.354 420 H GLY 54 H GLY 54 8.773 7.559 -3.931 421 1HA GLY 54 2HA GLY 54 10.322 6.014 -3.292 422 2HA GLY 54 1HA GLY 54 10.289 6.589 -1.626 423 HA PRO 55 HA PRO 55 6.758 3.268 -2.552 424 1HB PRO 55 2HB PRO 55 8.044 0.801 -2.654 425 2HB PRO 55 3HB PRO 55 7.520 1.739 -4.074 426 1HG PRO 55 2HG PRO 55 10.259 1.633 -2.833 427 2HG PRO 55 3HG PRO 55 9.833 1.556 -4.566 428 1HD PRO 55 2HD PRO 55 10.701 3.850 -3.430 429 2HD PRO 55 3HD PRO 55 9.393 3.902 -4.648 430 H ARG 56 H ARG 56 9.854 2.846 -0.854 431 HA ARG 56 HA ARG 56 8.788 1.455 1.334 432 1HB ARG 56 2HB ARG 56 10.866 1.963 2.505 433 2HB ARG 56 3HB ARG 56 11.036 1.309 0.882 434 1HG ARG 56 2HG ARG 56 11.234 3.990 0.295 435 2HG ARG 56 3HG ARG 56 11.807 3.976 1.960 436 1HD ARG 56 2HD ARG 56 13.761 3.634 0.750 437 2HD ARG 56 3HD ARG 56 13.362 1.988 1.205 438 HE ARG 56 HE ARG 56 13.199 3.332 -1.442 439 1HH1 ARG 56 2HH2 ARG 56 12.700 0.151 0.211 440 2HH1 ARG 56 1HH2 ARG 56 12.630 -0.680 -1.335 441 1HH2 ARG 56 2HH1 ARG 56 13.195 2.075 -3.384 442 2HH2 ARG 56 1HH1 ARG 56 12.919 0.343 -3.210 443 H ASP 57 H ASP 57 8.375 4.864 0.651 444 HA ASP 57 HA ASP 57 7.749 5.692 3.354 445 1HB ASP 57 2HB ASP 57 8.083 7.348 1.601 446 2HB ASP 57 3HB ASP 57 6.806 6.626 0.611 447 H ILE 58 H ILE 58 5.846 4.419 0.602 448 HA ILE 58 HA ILE 58 3.395 4.136 2.038 449 HB ILE 58 HB ILE 58 4.358 2.635 -0.442 450 1HG1 ILE 58 2HG1 ILE 58 2.244 4.216 -1.169 451 2HG1 ILE 58 3HG1 ILE 58 2.972 5.249 0.060 452 1HG2 ILE 58 1HG2 ILE 58 1.684 2.688 0.946 453 2HG2 ILE 58 2HG2 ILE 58 1.962 2.034 -0.686 454 3HG2 ILE 58 3HG2 ILE 58 2.721 1.265 0.703 455 1HD1 ILE 58 1HD1 ILE 58 3.792 5.688 -2.232 456 2HD1 ILE 58 2HD1 ILE 58 5.123 5.165 -1.182 457 3HD1 ILE 58 3HD1 ILE 58 4.397 4.033 -2.354 458 H ILE 59 H ILE 59 6.084 1.768 1.505 459 HA ILE 59 HA ILE 59 4.926 -0.380 2.933 460 HB ILE 59 HB ILE 59 7.860 0.378 3.051 461 1HG1 ILE 59 2HG1 ILE 59 6.446 -1.526 1.117 462 2HG1 ILE 59 3HG1 ILE 59 6.987 0.093 0.690 463 1HG2 ILE 59 1HG2 ILE 59 7.189 -1.301 4.766 464 2HG2 ILE 59 2HG2 ILE 59 6.483 -2.302 3.485 465 3HG2 ILE 59 3HG2 ILE 59 8.230 -2.006 3.549 466 1HD1 ILE 59 1HD1 ILE 59 8.669 -2.312 1.342 467 2HD1 ILE 59 2HD1 ILE 59 8.795 -1.177 -0.019 468 3HD1 ILE 59 3HD1 ILE 59 9.328 -0.687 1.597 469 H HIS 60 H HIS 60 7.119 2.138 4.323 470 HA HIS 60 HA HIS 60 6.998 1.402 7.007 471 1HB HIS 60 2HB HIS 60 7.070 4.219 5.848 472 2HB HIS 60 3HB HIS 60 7.453 3.777 7.515 473 HD1 HIS 60 1HD HIS 60 9.401 4.981 5.022 474 HD2 HIS 60 2HD HIS 60 9.367 1.254 6.969 475 HE1 HIS 60 1HE HIS 60 11.743 3.990 4.741 476 H THR 61 H THR 61 4.851 3.591 5.176 477 HA THR 61 HA THR 61 3.204 4.276 7.387 478 HB THR 61 HB THR 61 2.433 4.179 4.439 479 HG1 THR 61 1HG THR 61 4.240 5.478 4.774 480 1HG2 THR 61 1HG2 THR 61 0.457 4.464 5.902 481 2HG2 THR 61 2HG2 THR 61 1.304 5.735 6.815 482 3HG2 THR 61 3HG2 THR 61 0.874 5.998 5.117 483 H ILE 62 H ILE 62 2.767 1.659 4.939 484 HA ILE 62 HA ILE 62 0.338 0.646 6.026 485 HB ILE 62 HB ILE 62 2.527 -0.670 4.385 486 1HG1 ILE 62 2HG1 ILE 62 -0.265 0.385 3.704 487 2HG1 ILE 62 3HG1 ILE 62 1.255 1.172 3.288 488 1HG2 ILE 62 1HG2 ILE 62 1.242 -2.418 5.676 489 2HG2 ILE 62 2HG2 ILE 62 -0.252 -1.787 4.949 490 3HG2 ILE 62 3HG2 ILE 62 1.024 -2.508 3.945 491 1HD1 ILE 62 1HD1 ILE 62 0.145 -1.421 2.194 492 2HD1 ILE 62 2HD1 ILE 62 0.602 0.031 1.308 493 3HD1 ILE 62 3HD1 ILE 62 1.868 -0.976 2.033 494 H GLU 63 H GLU 63 3.762 -0.504 6.640 495 HA GLU 63 HA GLU 63 2.791 -2.468 8.442 496 1HB GLU 63 2HB GLU 63 5.068 -2.802 9.210 497 2HB GLU 63 3HB GLU 63 4.913 -2.774 7.460 498 1HG GLU 63 2HG GLU 63 6.898 -1.632 7.853 499 2HG GLU 63 3HG GLU 63 5.734 -0.349 7.542 500 H SER 64 H SER 64 4.156 0.753 9.073 501 HA SER 64 HA SER 64 3.949 0.745 11.838 502 1HB SER 64 2HB SER 64 5.224 2.360 10.516 503 2HB SER 64 3HB SER 64 3.732 3.105 9.922 504 HG SER 64 HG SER 64 4.538 2.922 12.646 505 H LEU 65 H LEU 65 1.371 1.539 9.435 506 HA LEU 65 HA LEU 65 -0.597 2.419 11.237 507 1HB LEU 65 2HB LEU 65 -0.502 1.303 8.506 508 2HB LEU 65 3HB LEU 65 -1.920 0.761 9.381 509 HG LEU 65 HG LEU 65 -2.612 2.996 9.859 510 1HD1 LEU 65 1HD1 LEU 65 -1.551 4.979 8.852 511 2HD1 LEU 65 2HD1 LEU 65 -0.411 4.213 9.963 512 3HD1 LEU 65 3HD1 LEU 65 -0.235 3.987 8.216 513 1HD2 LEU 65 1HD2 LEU 65 -3.235 1.862 7.721 514 2HD2 LEU 65 2HD2 LEU 65 -3.158 3.624 7.513 515 3HD2 LEU 65 3HD2 LEU 65 -1.821 2.597 6.941 516 H GLY 66 H GLY 66 -0.325 -1.033 10.128 517 1HA GLY 66 2HA GLY 66 -0.664 -1.898 12.888 518 2HA GLY 66 1HA GLY 66 -2.147 -2.107 11.946 519 H PHE 67 H PHE 67 0.944 -2.570 10.257 520 HA PHE 67 HA PHE 67 0.093 -5.452 10.018 521 1HB PHE 67 2HB PHE 67 0.678 -3.553 7.737 522 2HB PHE 67 3HB PHE 67 0.036 -5.185 7.611 523 HD1 PHE 67 1HD PHE 67 -2.149 -5.443 9.367 524 HD2 PHE 67 2HD PHE 67 -0.948 -1.913 7.216 525 HE1 PHE 67 1HE PHE 67 -4.321 -4.409 9.865 526 HE2 PHE 67 2HE PHE 67 -3.070 -0.821 7.825 527 HZ PHE 67 HZ PHE 67 -4.773 -2.053 9.110 528 H GLU 68 H GLU 68 1.423 -6.640 8.477 529 HA GLU 68 HA GLU 68 4.300 -5.874 8.373 530 1HB GLU 68 2HB GLU 68 4.328 -7.948 9.465 531 2HB GLU 68 3HB GLU 68 2.925 -8.549 8.644 532 1HG GLU 68 2HG GLU 68 4.819 -9.784 7.875 533 2HG GLU 68 3HG GLU 68 4.365 -8.753 6.517 534 H ALA 69 H ALA 69 5.144 -6.156 6.162 535 HA ALA 69 HA ALA 69 3.148 -5.995 3.968 536 1HB ALA 69 1HB ALA 69 4.924 -3.675 4.847 537 2HB ALA 69 2HB ALA 69 3.994 -3.723 3.336 538 3HB ALA 69 3HB ALA 69 3.151 -3.722 4.901 539 H SER 70 H SER 70 4.072 -6.676 2.021 540 HA SER 70 HA SER 70 7.047 -6.640 1.717 541 1HB SER 70 2HB SER 70 5.262 -9.067 2.059 542 2HB SER 70 3HB SER 70 6.749 -9.170 1.123 543 HG SER 70 HG SER 70 6.853 -7.940 3.664 544 H LEU 71 H LEU 71 7.244 -5.669 -0.243 545 HA LEU 71 HA LEU 71 5.589 -5.781 -2.601 546 1HB LEU 71 2HB LEU 71 8.560 -5.493 -2.154 547 2HB LEU 71 3HB LEU 71 7.779 -5.532 -3.739 548 HG LEU 71 HG LEU 71 6.330 -3.631 -3.126 549 1HD1 LEU 71 1HD1 LEU 71 8.158 -3.472 -0.693 550 2HD1 LEU 71 2HD1 LEU 71 7.103 -2.152 -1.255 551 3HD1 LEU 71 3HD1 LEU 71 6.390 -3.645 -0.661 552 1HD2 LEU 71 1HD2 LEU 71 9.287 -2.972 -2.863 553 2HD2 LEU 71 2HD2 LEU 71 8.506 -3.410 -4.399 554 3HD2 LEU 71 3HD2 LEU 71 8.030 -1.945 -3.530 555 H VAL 72 H VAL 72 5.356 -7.353 -4.128 556 HA VAL 72 HA VAL 72 6.856 -9.942 -3.772 557 HB VAL 72 HB VAL 72 4.837 -11.110 -4.471 558 1HG1 VAL 72 1HG1 VAL 72 5.309 -10.652 -2.054 559 2HG1 VAL 72 2HG1 VAL 72 4.182 -9.281 -2.175 560 3HG1 VAL 72 3HG1 VAL 72 3.599 -10.934 -2.443 561 1HG2 VAL 72 1HG2 VAL 72 3.692 -9.328 -5.813 562 2HG2 VAL 72 2HG2 VAL 72 2.647 -10.034 -4.577 563 3HG2 VAL 72 3HG2 VAL 72 3.365 -8.440 -4.310 564 H LYS 73 H LYS 73 7.865 -7.819 -5.289 565 HA LYS 73 HA LYS 73 8.619 -8.498 -7.703 566 1HB LYS 73 2HB LYS 73 7.050 -7.407 -9.335 567 2HB LYS 73 3HB LYS 73 6.481 -8.944 -8.711 568 1HG LYS 73 2HG LYS 73 4.953 -7.757 -7.148 569 2HG LYS 73 3HG LYS 73 5.541 -6.199 -7.706 570 1HD LYS 73 2HD LYS 73 4.362 -8.276 -9.613 571 2HD LYS 73 3HD LYS 73 3.327 -7.215 -8.665 572 1HE LYS 73 2HE LYS 73 4.579 -5.218 -9.617 573 2HE LYS 73 3HE LYS 73 5.398 -6.332 -10.731 574 1HZ LYS 73 1HZ LYS 73 3.429 -5.299 -11.689 575 2HZ LYS 73 2HZ LYS 73 3.189 -6.928 -11.562 576 3HZ LYS 73 3HZ LYS 73 2.490 -5.904 -10.487 577 H ILE 74 H ILE 74 9.701 -6.727 -8.636 578 HA ILE 74 HA ILE 74 10.601 -4.660 -8.812 579 HB ILE 74 HB ILE 74 8.662 -3.515 -6.778 580 1HG1 ILE 74 2HG1 ILE 74 8.246 -2.982 -9.697 581 2HG1 ILE 74 3HG1 ILE 74 7.695 -4.556 -9.142 582 1HG2 ILE 74 1HG2 ILE 74 10.651 -2.179 -7.138 583 2HG2 ILE 74 2HG2 ILE 74 10.402 -2.226 -8.894 584 3HG2 ILE 74 3HG2 ILE 74 9.239 -1.386 -7.848 585 1HD1 ILE 74 1HD1 ILE 74 6.339 -3.549 -7.370 586 2HD1 ILE 74 2HD1 ILE 74 6.887 -1.932 -7.863 587 3HD1 ILE 74 3HD1 ILE 74 5.897 -2.920 -8.965 588 H GLU 75 H GLU 75 9.545 -5.475 -5.468 589 HA GLU 75 HA GLU 75 12.288 -6.134 -4.843 590 1HB GLU 75 2HB GLU 75 10.601 -4.689 -2.770 591 2HB GLU 75 3HB GLU 75 12.255 -5.246 -2.618 592 1HG GLU 75 2HG GLU 75 13.002 -3.592 -4.308 593 2HG GLU 75 3HG GLU 75 11.342 -3.017 -4.504 Start of MODEL 15 1 1H MET 1 H1 MET 1 5.522 7.028 -14.630 2 2H MET 1 H2 MET 1 6.162 8.517 -14.252 3 3H MET 1 H3 MET 1 4.739 8.046 -13.649 4 HA MET 1 HA MET 1 4.070 9.504 -15.247 5 1HB MET 1 2HB MET 1 6.204 9.802 -16.361 6 2HB MET 1 3HB MET 1 6.098 8.221 -17.135 7 1HG MET 1 2HG MET 1 3.985 9.000 -18.297 8 2HG MET 1 3HG MET 1 4.213 10.589 -17.569 9 1HE MET 1 1HE MET 1 7.375 11.101 -17.922 10 2HE MET 1 2HE MET 1 7.342 11.901 -19.508 11 3HE MET 1 3HE MET 1 6.086 12.274 -18.305 12 H GLY 2 H GLY 2 4.801 6.744 -17.368 13 1HA GLY 2 2HA GLY 2 2.369 5.222 -16.763 14 2HA GLY 2 1HA GLY 2 3.920 4.619 -17.410 15 H ASP 3 H ASP 3 2.148 4.210 -14.697 16 HA ASP 3 HA ASP 3 3.776 5.503 -12.724 17 1HB ASP 3 2HB ASP 3 2.208 4.460 -11.155 18 2HB ASP 3 3HB ASP 3 1.369 5.274 -12.488 19 H GLY 4 H GLY 4 4.961 4.589 -11.067 20 1HA GLY 4 2HA GLY 4 6.251 1.968 -11.379 21 2HA GLY 4 1HA GLY 4 6.355 3.099 -10.015 22 H VAL 5 H VAL 5 4.777 0.274 -11.199 23 HA VAL 5 HA VAL 5 2.616 0.314 -9.211 24 HB VAL 5 HB VAL 5 3.750 -1.907 -10.950 25 1HG1 VAL 5 1HG1 VAL 5 2.876 -2.946 -8.938 26 2HG1 VAL 5 2HG1 VAL 5 1.409 -1.950 -9.014 27 3HG1 VAL 5 3HG1 VAL 5 1.734 -3.190 -10.252 28 1HG2 VAL 5 1HG2 VAL 5 1.131 -0.383 -11.074 29 2HG2 VAL 5 2HG2 VAL 5 2.504 -0.155 -12.186 30 3HG2 VAL 5 3HG2 VAL 5 1.625 -1.694 -12.165 31 H LEU 6 H LEU 6 2.877 -0.212 -7.142 32 HA LEU 6 HA LEU 6 5.138 -1.923 -6.240 33 1HB LEU 6 2HB LEU 6 4.736 0.603 -5.367 34 2HB LEU 6 3HB LEU 6 3.504 -0.184 -4.404 35 HG LEU 6 HG LEU 6 5.361 -1.786 -3.603 36 1HD1 LEU 6 1HD1 LEU 6 7.075 -1.291 -5.338 37 2HD1 LEU 6 2HD1 LEU 6 7.063 0.420 -4.881 38 3HD1 LEU 6 3HD1 LEU 6 7.684 -0.787 -3.756 39 1HD2 LEU 6 1HD2 LEU 6 5.560 1.192 -2.956 40 2HD2 LEU 6 2HD2 LEU 6 4.428 0.038 -2.220 41 3HD2 LEU 6 3HD2 LEU 6 6.170 -0.133 -1.941 42 H GLU 7 H GLU 7 4.384 -3.920 -5.563 43 HA GLU 7 HA GLU 7 1.608 -4.090 -4.542 44 1HB GLU 7 2HB GLU 7 2.828 -6.442 -5.985 45 2HB GLU 7 3HB GLU 7 1.290 -6.294 -5.158 46 1HG GLU 7 2HG GLU 7 0.893 -4.250 -6.806 47 2HG GLU 7 3HG GLU 7 2.239 -5.039 -7.649 48 H LEU 8 H LEU 8 1.978 -3.988 -2.494 49 HA LEU 8 HA LEU 8 4.014 -5.762 -1.281 50 1HB LEU 8 2HB LEU 8 2.058 -3.763 -0.078 51 2HB LEU 8 3HB LEU 8 3.251 -4.703 0.821 52 HG LEU 8 HG LEU 8 4.119 -2.850 -1.445 53 1HD1 LEU 8 1HD1 LEU 8 3.718 -2.041 1.447 54 2HD1 LEU 8 2HD1 LEU 8 4.424 -1.047 0.152 55 3HD1 LEU 8 3HD1 LEU 8 2.720 -1.510 0.069 56 1HD2 LEU 8 1HD2 LEU 8 5.512 -3.750 1.121 57 2HD2 LEU 8 2HD2 LEU 8 5.737 -4.486 -0.475 58 3HD2 LEU 8 3HD2 LEU 8 6.215 -2.808 -0.214 59 H VAL 9 H VAL 9 3.285 -7.839 -0.642 60 HA VAL 9 HA VAL 9 0.403 -8.241 -0.209 61 HB VAL 9 HB VAL 9 1.694 -10.135 -1.027 62 1HG1 VAL 9 1HG1 VAL 9 3.120 -11.441 0.454 63 2HG1 VAL 9 2HG1 VAL 9 3.816 -9.833 0.246 64 3HG1 VAL 9 3HG1 VAL 9 2.954 -10.244 1.748 65 1HG2 VAL 9 1HG2 VAL 9 0.691 -11.775 0.489 66 2HG2 VAL 9 2HG2 VAL 9 0.409 -10.508 1.698 67 3HG2 VAL 9 3HG2 VAL 9 -0.422 -10.452 0.128 68 H VAL 10 H VAL 10 -0.514 -7.947 1.720 69 HA VAL 10 HA VAL 10 1.084 -6.736 3.932 70 HB VAL 10 HB VAL 10 -1.758 -6.313 2.931 71 1HG1 VAL 10 1HG1 VAL 10 -1.768 -6.174 5.409 72 2HG1 VAL 10 2HG1 VAL 10 -0.340 -5.110 5.325 73 3HG1 VAL 10 3HG1 VAL 10 -1.907 -4.553 4.719 74 1HG2 VAL 10 1HG2 VAL 10 -0.081 -5.120 1.602 75 2HG2 VAL 10 2HG2 VAL 10 -1.013 -3.984 2.587 76 3HG2 VAL 10 3HG2 VAL 10 0.629 -4.444 3.086 77 H ARG 11 H ARG 11 0.522 -7.486 6.056 78 HA ARG 11 HA ARG 11 -1.414 -9.717 6.189 79 1HB ARG 11 2HB ARG 11 0.175 -10.882 7.728 80 2HB ARG 11 3HB ARG 11 0.517 -10.969 5.992 81 1HG ARG 11 2HG ARG 11 2.285 -9.264 6.304 82 2HG ARG 11 3HG ARG 11 1.920 -9.251 8.051 83 1HD ARG 11 2HD ARG 11 2.460 -11.663 8.187 84 2HD ARG 11 3HD ARG 11 2.781 -11.728 6.457 85 HE ARG 11 HE ARG 11 4.523 -10.684 8.579 86 1HH1 ARG 11 2HH2 ARG 11 3.938 -10.431 5.116 87 2HH1 ARG 11 1HH2 ARG 11 5.545 -9.874 4.752 88 1HH2 ARG 11 2HH1 ARG 11 6.449 -10.045 8.205 89 2HH2 ARG 11 1HH1 ARG 11 7.146 -9.798 6.591 90 H GLY 12 H GLY 12 -2.822 -9.336 7.651 91 1HA GLY 12 2HA GLY 12 -3.059 -9.156 10.121 92 2HA GLY 12 1HA GLY 12 -2.219 -7.613 10.038 93 H MET 13 H MET 13 -3.902 -7.414 7.249 94 HA MET 13 HA MET 13 -5.980 -5.784 8.365 95 1HB MET 13 2HB MET 13 -6.656 -5.359 6.164 96 2HB MET 13 3HB MET 13 -4.907 -5.581 6.052 97 1HG MET 13 2HG MET 13 -5.381 -7.997 5.352 98 2HG MET 13 3HG MET 13 -7.099 -7.587 5.361 99 1HE MET 13 1HE MET 13 -4.028 -5.493 3.865 100 2HE MET 13 2HE MET 13 -3.742 -7.240 3.626 101 3HE MET 13 3HE MET 13 -4.081 -6.196 2.230 102 H THR 14 H THR 14 -8.230 -6.184 8.519 103 HA THR 14 HA THR 14 -9.457 -8.490 7.406 104 HB THR 14 HB THR 14 -8.606 -9.676 9.323 105 HG1 THR 14 1HG THR 14 -11.242 -9.062 10.066 106 1HG2 THR 14 1HG2 THR 14 -9.811 -7.511 11.110 107 2HG2 THR 14 2HG2 THR 14 -9.095 -9.042 11.646 108 3HG2 THR 14 3HG2 THR 14 -8.081 -7.824 10.862 109 H CYS 15 H CYS 15 -11.611 -8.003 7.132 110 HA CYS 15 HA CYS 15 -13.538 -6.867 7.057 111 1HB CYS 15 2HB CYS 15 -13.651 -6.801 9.480 112 2HB CYS 15 3HB CYS 15 -12.636 -5.347 9.544 113 HG CYS 15 HG CYS 15 -14.993 -4.585 10.020 114 H ALA 16 H ALA 16 -14.347 -5.195 5.930 115 HA ALA 16 HA ALA 16 -13.022 -3.662 4.144 116 1HB ALA 16 1HB ALA 16 -15.037 -2.264 4.056 117 2HB ALA 16 2HB ALA 16 -15.444 -3.985 4.191 118 3HB ALA 16 3HB ALA 16 -15.578 -2.925 5.613 119 H SER 17 H SER 17 -13.653 -2.747 7.517 120 HA SER 17 HA SER 17 -12.754 -0.075 7.505 121 1HB SER 17 2HB SER 17 -12.359 -0.498 9.918 122 2HB SER 17 3HB SER 17 -13.930 -1.095 9.348 123 HG SER 17 HG SER 17 -12.665 -3.184 9.023 124 H CYS 18 H CYS 18 -10.749 -2.654 8.987 125 HA CYS 18 HA CYS 18 -8.335 -1.284 8.889 126 1HB CYS 18 2HB CYS 18 -8.722 -4.272 8.689 127 2HB CYS 18 3HB CYS 18 -7.229 -3.478 9.174 128 HG CYS 18 HG CYS 18 -8.274 -2.213 11.236 129 H VAL 19 H VAL 19 -9.854 -3.329 6.413 130 HA VAL 19 HA VAL 19 -7.801 -3.346 4.468 131 HB VAL 19 HB VAL 19 -10.813 -3.370 4.415 132 1HG1 VAL 19 1HG1 VAL 19 -10.316 -2.305 2.268 133 2HG1 VAL 19 2HG1 VAL 19 -9.097 -3.553 1.923 134 3HG1 VAL 19 3HG1 VAL 19 -10.813 -3.974 2.047 135 1HG2 VAL 19 1HG2 VAL 19 -9.516 -5.360 5.182 136 2HG2 VAL 19 2HG2 VAL 19 -10.494 -5.660 3.730 137 3HG2 VAL 19 3HG2 VAL 19 -8.737 -5.406 3.584 138 H HIS 20 H HIS 20 -10.636 -1.073 4.424 139 HA HIS 20 HA HIS 20 -9.245 0.428 2.542 140 1HB HIS 20 2HB HIS 20 -11.011 1.844 2.259 141 2HB HIS 20 3HB HIS 20 -11.630 0.216 2.494 142 HD1 HIS 20 1HD HIS 20 -13.864 1.996 2.860 143 HD2 HIS 20 2HD HIS 20 -10.902 1.828 5.792 144 HE1 HIS 20 1HE HIS 20 -14.801 3.131 4.954 145 H LYS 21 H LYS 21 -9.042 0.556 5.938 146 HA LYS 21 HA LYS 21 -8.328 3.186 6.476 147 1HB LYS 21 2HB LYS 21 -8.603 1.666 8.268 148 2HB LYS 21 3HB LYS 21 -7.451 0.511 7.593 149 1HG LYS 21 2HG LYS 21 -5.563 1.819 8.194 150 2HG LYS 21 3HG LYS 21 -6.570 3.210 8.647 151 1HD LYS 21 2HD LYS 21 -7.486 2.118 10.527 152 2HD LYS 21 3HD LYS 21 -6.972 0.516 10.015 153 1HE LYS 21 2HE LYS 21 -4.952 2.687 10.742 154 2HE LYS 21 3HE LYS 21 -5.704 1.664 11.970 155 1HZ LYS 21 1HZ LYS 21 -4.812 -0.269 10.907 156 2HZ LYS 21 2HZ LYS 21 -4.128 0.629 9.715 157 3HZ LYS 21 3HZ LYS 21 -3.592 0.754 11.259 158 H ILE 22 H ILE 22 -6.418 0.496 5.096 159 HA ILE 22 HA ILE 22 -3.875 1.836 5.021 160 HB ILE 22 HB ILE 22 -5.052 -0.383 3.310 161 1HG1 ILE 22 2HG1 ILE 22 -3.001 -0.718 5.504 162 2HG1 ILE 22 3HG1 ILE 22 -4.723 -0.662 5.908 163 1HG2 ILE 22 1HG2 ILE 22 -2.662 -0.930 2.774 164 2HG2 ILE 22 2HG2 ILE 22 -3.173 0.621 2.109 165 3HG2 ILE 22 3HG2 ILE 22 -2.177 0.577 3.578 166 1HD1 ILE 22 1HD1 ILE 22 -5.199 -2.522 4.381 167 2HD1 ILE 22 2HD1 ILE 22 -3.450 -2.687 4.062 168 3HD1 ILE 22 3HD1 ILE 22 -4.095 -2.954 5.693 169 H GLU 23 H GLU 23 -6.277 1.241 2.400 170 HA GLU 23 HA GLU 23 -4.870 2.872 0.609 171 1HB GLU 23 2HB GLU 23 -7.255 2.863 -0.612 172 2HB GLU 23 3HB GLU 23 -6.190 1.437 -0.562 173 1HG GLU 23 2HG GLU 23 -7.533 0.497 1.243 174 2HG GLU 23 3HG GLU 23 -8.605 1.936 1.130 175 H SER 24 H SER 24 -7.762 3.682 2.454 176 HA SER 24 HA SER 24 -8.084 6.361 1.674 177 1HB SER 24 2HB SER 24 -9.663 5.105 3.094 178 2HB SER 24 3HB SER 24 -8.514 5.138 4.442 179 HG SER 24 HG SER 24 -10.114 6.829 4.488 180 H SER 25 H SER 25 -5.989 5.007 4.338 181 HA SER 25 HA SER 25 -4.930 7.510 5.114 182 1HB SER 25 2HB SER 25 -4.713 5.475 6.465 183 2HB SER 25 3HB SER 25 -3.577 4.788 5.287 184 HG SER 25 HG SER 25 -2.228 6.636 5.757 185 H LEU 26 H LEU 26 -3.534 5.114 2.732 186 HA LEU 26 HA LEU 26 -1.293 6.843 2.400 187 1HB LEU 26 2HB LEU 26 -2.105 4.761 0.406 188 2HB LEU 26 3HB LEU 26 -0.502 5.511 0.685 189 HG LEU 26 HG LEU 26 -1.882 3.865 2.818 190 1HD1 LEU 26 1HD1 LEU 26 -0.460 2.017 2.127 191 2HD1 LEU 26 2HD1 LEU 26 -1.592 2.479 0.851 192 3HD1 LEU 26 3HD1 LEU 26 0.111 2.984 0.745 193 1HD2 LEU 26 1HD2 LEU 26 1.002 4.743 2.437 194 2HD2 LEU 26 2HD2 LEU 26 -0.142 5.364 3.648 195 3HD2 LEU 26 3HD2 LEU 26 0.390 3.682 3.728 196 H THR 27 H THR 27 -4.372 6.622 0.669 197 HA THR 27 HA THR 27 -3.709 8.452 -1.425 198 HB THR 27 HB THR 27 -6.332 7.840 -0.078 199 HG1 THR 27 1HG THR 27 -5.489 5.989 -0.848 200 1HG2 THR 27 1HG2 THR 27 -6.643 9.797 -1.550 201 2HG2 THR 27 2HG2 THR 27 -5.733 8.989 -2.848 202 3HG2 THR 27 3HG2 THR 27 -7.317 8.368 -2.344 203 H LYS 28 H LYS 28 -3.871 9.084 1.993 204 HA LYS 28 HA LYS 28 -4.628 11.891 1.746 205 1HB LYS 28 2HB LYS 28 -3.193 10.429 3.986 206 2HB LYS 28 3HB LYS 28 -3.810 12.047 4.053 207 1HG LYS 28 2HG LYS 28 -5.790 9.960 3.199 208 2HG LYS 28 3HG LYS 28 -5.218 9.804 4.848 209 1HD LYS 28 2HD LYS 28 -6.344 12.386 3.656 210 2HD LYS 28 3HD LYS 28 -7.359 11.143 4.410 211 1HE LYS 28 2HE LYS 28 -6.119 11.361 6.543 212 2HE LYS 28 3HE LYS 28 -5.077 12.605 5.838 213 1HZ LYS 28 1HZ LYS 28 -6.841 13.556 7.124 214 2HZ LYS 28 2HZ LYS 28 -7.014 13.984 5.546 215 3HZ LYS 28 3HZ LYS 28 -7.991 12.829 6.200 216 H HIS 29 H HIS 29 -1.689 10.064 1.143 217 HA HIS 29 HA HIS 29 0.074 12.424 1.384 218 1HB HIS 29 2HB HIS 29 0.484 9.933 -0.233 219 2HB HIS 29 3HB HIS 29 1.734 11.034 0.282 220 HD1 HIS 29 1HD HIS 29 2.234 10.919 3.113 221 HD2 HIS 29 2HD HIS 29 0.357 7.750 1.121 222 HE1 HIS 29 1HE HIS 29 2.596 8.770 4.497 223 H ARG 30 H ARG 30 1.280 12.564 -1.087 224 HA ARG 30 HA ARG 30 -0.939 13.018 -3.058 225 1HB ARG 30 2HB ARG 30 -0.014 15.056 -1.796 226 2HB ARG 30 3HB ARG 30 1.511 14.787 -2.655 227 1HG ARG 30 2HG ARG 30 0.357 15.162 -4.813 228 2HG ARG 30 3HG ARG 30 -1.205 15.272 -3.971 229 1HD ARG 30 2HD ARG 30 -0.394 17.248 -2.726 230 2HD ARG 30 3HD ARG 30 1.187 17.114 -3.546 231 HE ARG 30 HE ARG 30 -0.844 17.241 -5.520 232 1HH1 ARG 30 2HH2 ARG 30 0.639 19.290 -3.075 233 2HH1 ARG 30 1HH2 ARG 30 0.352 20.792 -3.898 234 1HH2 ARG 30 2HH1 ARG 30 -1.260 19.215 -6.666 235 2HH2 ARG 30 1HH1 ARG 30 -0.764 20.738 -6.002 236 H GLY 31 H GLY 31 1.751 11.154 -2.508 237 1HA GLY 31 2HA GLY 31 2.702 11.263 -5.310 238 2HA GLY 31 1HA GLY 31 3.454 10.430 -3.971 239 H ILE 32 H ILE 32 0.576 9.354 -3.284 240 HA ILE 32 HA ILE 32 0.904 6.931 -4.902 241 HB ILE 32 HB ILE 32 -1.048 7.567 -2.638 242 1HG1 ILE 32 2HG1 ILE 32 0.204 5.684 -1.544 243 2HG1 ILE 32 3HG1 ILE 32 1.453 5.805 -2.802 244 1HG2 ILE 32 1HG2 ILE 32 -0.580 5.110 -4.346 245 2HG2 ILE 32 2HG2 ILE 32 -1.439 5.098 -2.796 246 3HG2 ILE 32 3HG2 ILE 32 -2.094 6.038 -4.158 247 1HD1 ILE 32 1HD1 ILE 32 1.998 8.073 -1.979 248 2HD1 ILE 32 2HD1 ILE 32 0.488 8.046 -1.040 249 3HD1 ILE 32 3HD1 ILE 32 1.852 7.013 -0.568 250 H LEU 33 H LEU 33 0.044 6.858 -6.854 251 HA LEU 33 HA LEU 33 -1.920 8.830 -7.786 252 1HB LEU 33 2HB LEU 33 -0.574 6.480 -9.178 253 2HB LEU 33 3HB LEU 33 -1.510 7.749 -9.970 254 HG LEU 33 HG LEU 33 1.082 8.238 -8.417 255 1HD1 LEU 33 1HD1 LEU 33 2.138 8.473 -10.619 256 2HD1 LEU 33 2HD1 LEU 33 1.495 6.841 -10.387 257 3HD1 LEU 33 3HD1 LEU 33 0.621 8.001 -11.415 258 1HD2 LEU 33 1HD2 LEU 33 -0.303 10.256 -8.511 259 2HD2 LEU 33 2HD2 LEU 33 1.049 10.416 -9.635 260 3HD2 LEU 33 3HD2 LEU 33 -0.568 10.028 -10.255 261 H TYR 34 H TYR 34 -1.815 5.318 -6.955 262 HA TYR 34 HA TYR 34 -4.689 5.316 -6.790 263 1HB TYR 34 2HB TYR 34 -3.952 4.793 -9.281 264 2HB TYR 34 3HB TYR 34 -3.363 3.270 -8.608 265 HD1 TYR 34 HD1 TYR 34 -6.409 5.459 -8.449 266 HD2 TYR 34 HD2 TYR 34 -4.845 1.449 -8.745 267 HE1 TYR 34 HE1 TYR 34 -8.683 4.578 -8.409 268 HE2 TYR 34 HE2 TYR 34 -7.132 0.569 -8.871 269 HH TYR 34 HH TYR 34 -10.025 2.674 -8.579 270 H CYS 35 H CYS 35 -5.377 3.411 -5.561 271 HA CYS 35 HA CYS 35 -3.249 1.923 -4.097 272 1HB CYS 35 2HB CYS 35 -3.412 4.352 -3.286 273 2HB CYS 35 3HB CYS 35 -5.017 3.976 -2.679 274 HG CYS 35 HG CYS 35 -4.351 2.079 -1.135 275 H SER 36 H SER 36 -4.352 0.080 -4.860 276 HA SER 36 HA SER 36 -7.100 -0.323 -3.726 277 1HB SER 36 2HB SER 36 -5.774 -1.714 -6.068 278 2HB SER 36 3HB SER 36 -7.427 -1.952 -5.473 279 HG SER 36 HG SER 36 -7.674 0.385 -5.848 280 H VAL 37 H VAL 37 -6.861 -1.333 -1.757 281 HA VAL 37 HA VAL 37 -4.843 -3.502 -1.581 282 HB VAL 37 HB VAL 37 -4.848 -1.592 0.060 283 1HG1 VAL 37 1HG1 VAL 37 -6.285 -1.499 1.847 284 2HG1 VAL 37 2HG1 VAL 37 -7.416 -1.805 0.521 285 3HG1 VAL 37 3HG1 VAL 37 -6.923 -3.126 1.603 286 1HG2 VAL 37 1HG2 VAL 37 -4.175 -3.074 1.874 287 2HG2 VAL 37 2HG2 VAL 37 -4.978 -4.445 1.066 288 3HG2 VAL 37 3HG2 VAL 37 -3.574 -3.656 0.313 289 H ALA 38 H ALA 38 -5.625 -5.210 -2.594 290 HA ALA 38 HA ALA 38 -8.509 -5.838 -2.380 291 1HB ALA 38 1HB ALA 38 -7.561 -5.839 -4.582 292 2HB ALA 38 2HB ALA 38 -6.257 -6.930 -4.091 293 3HB ALA 38 3HB ALA 38 -7.944 -7.511 -4.128 294 H LEU 39 H LEU 39 -8.592 -6.456 -0.214 295 HA LEU 39 HA LEU 39 -7.213 -8.200 1.304 296 1HB LEU 39 2HB LEU 39 -9.233 -7.115 2.016 297 2HB LEU 39 3HB LEU 39 -10.239 -8.104 0.958 298 HG LEU 39 HG LEU 39 -8.486 -9.551 2.931 299 1HD1 LEU 39 1HD1 LEU 39 -10.143 -9.279 4.744 300 2HD1 LEU 39 2HD1 LEU 39 -9.321 -7.769 4.343 301 3HD1 LEU 39 3HD1 LEU 39 -10.988 -8.052 3.778 302 1HD2 LEU 39 1HD2 LEU 39 -10.468 -11.018 3.120 303 2HD2 LEU 39 2HD2 LEU 39 -11.406 -9.917 2.094 304 3HD2 LEU 39 3HD2 LEU 39 -10.045 -10.830 1.419 305 H ALA 40 H ALA 40 -9.197 -9.177 -1.460 306 HA ALA 40 HA ALA 40 -9.398 -11.958 -0.960 307 1HB ALA 40 1HB ALA 40 -9.800 -12.140 -3.384 308 2HB ALA 40 2HB ALA 40 -10.693 -10.768 -2.696 309 3HB ALA 40 3HB ALA 40 -9.197 -10.488 -3.624 310 H THR 41 H THR 41 -6.758 -10.014 -2.227 311 HA THR 41 HA THR 41 -5.021 -12.423 -2.535 312 HB THR 41 HB THR 41 -5.441 -11.539 -4.688 313 HG1 THR 41 1HG THR 41 -2.972 -10.864 -3.585 314 1HG2 THR 41 1HG2 THR 41 -6.447 -9.409 -4.209 315 2HG2 THR 41 2HG2 THR 41 -4.872 -8.750 -3.707 316 3HG2 THR 41 3HG2 THR 41 -5.172 -9.260 -5.391 317 H ASN 42 H ASN 42 -5.786 -10.333 -0.316 318 HA ASN 42 HA ASN 42 -4.892 -8.775 1.044 319 1HB ASN 42 2HB ASN 42 -3.865 -11.453 1.464 320 2HB ASN 42 3HB ASN 42 -2.662 -10.316 2.030 321 1HD2 ASN 42 1HD2 ASN 42 -6.289 -10.686 2.125 322 2HD2 ASN 42 2HD2 ASN 42 -6.383 -10.276 3.833 323 H LYS 43 H LYS 43 -4.141 -7.970 -1.446 324 HA LYS 43 HA LYS 43 -1.294 -7.137 -1.120 325 1HB LYS 43 2HB LYS 43 -1.017 -8.621 -2.765 326 2HB LYS 43 3HB LYS 43 -2.663 -8.524 -3.350 327 1HG LYS 43 2HG LYS 43 -0.761 -6.211 -3.856 328 2HG LYS 43 3HG LYS 43 -0.668 -7.664 -4.824 329 1HD LYS 43 2HD LYS 43 -3.386 -6.356 -4.447 330 2HD LYS 43 3HD LYS 43 -2.215 -5.662 -5.579 331 1HE LYS 43 2HE LYS 43 -3.084 -8.558 -5.580 332 2HE LYS 43 3HE LYS 43 -3.936 -7.310 -6.504 333 1HZ LYS 43 1HZ LYS 43 -1.077 -8.003 -6.945 334 2HZ LYS 43 2HZ LYS 43 -2.337 -8.457 -7.903 335 3HZ LYS 43 3HZ LYS 43 -1.863 -6.883 -7.715 336 H ALA 44 H ALA 44 -0.699 -5.126 -1.658 337 HA ALA 44 HA ALA 44 -2.843 -3.059 -2.043 338 1HB ALA 44 1HB ALA 44 -1.489 -2.810 0.037 339 2HB ALA 44 2HB ALA 44 -0.013 -2.813 -0.945 340 3HB ALA 44 3HB ALA 44 -1.202 -1.513 -1.139 341 H HIS 45 H HIS 45 -3.071 -3.062 -4.251 342 HA HIS 45 HA HIS 45 -0.660 -2.750 -6.003 343 1HB HIS 45 2HB HIS 45 -2.746 -3.948 -6.784 344 2HB HIS 45 3HB HIS 45 -3.588 -2.403 -6.684 345 HD1 HIS 45 1HD HIS 45 -1.369 -4.392 -8.933 346 HD2 HIS 45 2HD HIS 45 -2.060 -0.372 -8.065 347 HE1 HIS 45 1HE HIS 45 -0.598 -3.080 -10.996 348 H ILE 46 H ILE 46 0.381 -1.031 -5.351 349 HA ILE 46 HA ILE 46 -1.050 1.567 -5.081 350 HB ILE 46 HB ILE 46 1.417 0.391 -3.813 351 1HG1 ILE 46 2HG1 ILE 46 -0.969 1.965 -2.787 352 2HG1 ILE 46 3HG1 ILE 46 -0.932 0.194 -2.873 353 1HG2 ILE 46 1HG2 ILE 46 0.721 3.351 -4.034 354 2HG2 ILE 46 2HG2 ILE 46 1.910 2.681 -2.908 355 3HG2 ILE 46 3HG2 ILE 46 2.199 2.576 -4.635 356 1HD1 ILE 46 1HD1 ILE 46 -0.417 0.780 -0.641 357 2HD1 ILE 46 2HD1 ILE 46 1.111 0.250 -1.387 358 3HD1 ILE 46 3HD1 ILE 46 0.767 1.989 -1.159 359 H LYS 47 H LYS 47 -0.959 2.696 -6.863 360 HA LYS 47 HA LYS 47 1.331 2.452 -8.767 361 1HB LYS 47 2HB LYS 47 -1.297 3.960 -8.892 362 2HB LYS 47 3HB LYS 47 -0.033 3.951 -10.134 363 1HG LYS 47 2HG LYS 47 -0.307 1.410 -10.175 364 2HG LYS 47 3HG LYS 47 -1.763 1.614 -9.220 365 1HD LYS 47 2HD LYS 47 -2.954 2.696 -10.920 366 2HD LYS 47 3HD LYS 47 -1.505 3.280 -11.740 367 1HE LYS 47 2HE LYS 47 -2.276 0.337 -11.631 368 2HE LYS 47 3HE LYS 47 -2.740 1.424 -12.949 369 1HZ LYS 47 1HZ LYS 47 -0.453 1.812 -13.459 370 2HZ LYS 47 2HZ LYS 47 0.086 1.096 -12.176 371 3HZ LYS 47 3HZ LYS 47 -0.625 0.162 -13.356 372 H TYR 48 H TYR 48 2.986 3.908 -8.472 373 HA TYR 48 HA TYR 48 2.480 6.594 -7.425 374 1HB TYR 48 2HB TYR 48 3.858 6.488 -5.568 375 2HB TYR 48 3HB TYR 48 2.951 4.998 -5.428 376 HD1 TYR 48 HD1 TYR 48 6.218 6.461 -5.492 377 HD2 TYR 48 HD2 TYR 48 4.104 2.840 -6.485 378 HE1 TYR 48 HE1 TYR 48 8.356 5.252 -5.598 379 HE2 TYR 48 HE2 TYR 48 6.272 1.683 -6.815 380 HH TYR 48 HH TYR 48 9.405 3.290 -6.220 381 H ASP 49 H ASP 49 4.910 7.706 -7.524 382 HA ASP 49 HA ASP 49 6.503 6.333 -9.587 383 1HB ASP 49 2HB ASP 49 5.385 9.129 -9.872 384 2HB ASP 49 3HB ASP 49 6.967 8.724 -10.540 385 HA PRO 50 HA PRO 50 9.517 7.140 -6.487 386 1HB PRO 50 2HB PRO 50 11.790 6.353 -7.726 387 2HB PRO 50 3HB PRO 50 10.452 5.215 -7.416 388 1HG PRO 50 2HG PRO 50 10.967 6.759 -9.981 389 2HG PRO 50 3HG PRO 50 10.753 4.992 -9.804 390 1HD PRO 50 2HD PRO 50 8.669 6.605 -10.464 391 2HD PRO 50 3HD PRO 50 8.445 5.233 -9.335 392 H GLU 51 H GLU 51 8.786 9.390 -6.855 393 HA GLU 51 HA GLU 51 10.922 11.306 -7.127 394 1HB GLU 51 2HB GLU 51 9.854 12.511 -9.114 395 2HB GLU 51 3HB GLU 51 10.820 11.081 -9.469 396 1HG GLU 51 2HG GLU 51 8.834 9.715 -9.780 397 2HG GLU 51 3HG GLU 51 7.772 11.077 -9.361 398 H ILE 52 H ILE 52 7.398 10.702 -7.273 399 HA ILE 52 HA ILE 52 6.837 13.215 -5.825 400 HB ILE 52 HB ILE 52 4.482 12.466 -6.028 401 1HG1 ILE 52 2HG1 ILE 52 5.633 10.338 -7.900 402 2HG1 ILE 52 3HG1 ILE 52 4.755 10.047 -6.390 403 1HG2 ILE 52 1HG2 ILE 52 5.625 14.099 -7.543 404 2HG2 ILE 52 2HG2 ILE 52 5.980 12.773 -8.668 405 3HG2 ILE 52 3HG2 ILE 52 4.300 13.252 -8.334 406 1HD1 ILE 52 1HD1 ILE 52 3.280 9.649 -8.236 407 2HD1 ILE 52 2HD1 ILE 52 2.752 11.194 -7.539 408 3HD1 ILE 52 3HD1 ILE 52 3.717 11.161 -9.030 409 H ILE 53 H ILE 53 7.169 9.716 -5.280 410 HA ILE 53 HA ILE 53 7.610 10.334 -2.529 411 HB ILE 53 HB ILE 53 5.070 10.085 -2.698 412 1HG1 ILE 53 2HG1 ILE 53 6.494 8.208 -0.844 413 2HG1 ILE 53 3HG1 ILE 53 6.320 9.979 -0.716 414 1HG2 ILE 53 1HG2 ILE 53 5.677 7.122 -3.058 415 2HG2 ILE 53 2HG2 ILE 53 4.084 7.891 -2.959 416 3HG2 ILE 53 3HG2 ILE 53 5.108 8.200 -4.360 417 1HD1 ILE 53 1HD1 ILE 53 4.662 8.891 0.708 418 2HD1 ILE 53 2HD1 ILE 53 3.844 9.715 -0.637 419 3HD1 ILE 53 3HD1 ILE 53 4.058 7.949 -0.663 420 H GLY 54 H GLY 54 8.653 8.415 -1.428 421 1HA GLY 54 2HA GLY 54 9.892 6.598 -3.420 422 2HA GLY 54 1HA GLY 54 10.404 6.883 -1.759 423 HA PRO 55 HA PRO 55 7.419 3.173 -2.134 424 1HB PRO 55 2HB PRO 55 9.131 1.035 -2.148 425 2HB PRO 55 3HB PRO 55 8.625 1.903 -3.624 426 1HG PRO 55 2HG PRO 55 11.194 2.269 -2.068 427 2HG PRO 55 3HG PRO 55 10.986 2.101 -3.831 428 1HD PRO 55 2HD PRO 55 11.245 4.549 -2.617 429 2HD PRO 55 3HD PRO 55 10.201 4.313 -4.047 430 H ARG 56 H ARG 56 10.546 3.358 -0.334 431 HA ARG 56 HA ARG 56 9.624 1.769 1.822 432 1HB ARG 56 2HB ARG 56 12.013 2.100 1.357 433 2HB ARG 56 3HB ARG 56 11.863 3.809 1.791 434 1HG ARG 56 2HG ARG 56 12.856 2.583 3.634 435 2HG ARG 56 3HG ARG 56 11.267 3.195 4.083 436 1HD ARG 56 2HD ARG 56 10.338 0.874 3.614 437 2HD ARG 56 3HD ARG 56 12.013 0.313 3.409 438 HE ARG 56 HE ARG 56 11.865 1.638 5.894 439 1HH1 ARG 56 2HH2 ARG 56 10.260 -1.196 4.464 440 2HH1 ARG 56 1HH2 ARG 56 9.545 -1.670 5.995 441 1HH2 ARG 56 2HH1 ARG 56 11.076 0.903 7.837 442 2HH2 ARG 56 1HH1 ARG 56 9.885 -0.374 7.876 443 H ASP 57 H ASP 57 9.356 5.257 1.202 444 HA ASP 57 HA ASP 57 8.346 6.181 3.572 445 1HB ASP 57 2HB ASP 57 6.973 6.961 0.995 446 2HB ASP 57 3HB ASP 57 7.469 7.969 2.339 447 H ILE 58 H ILE 58 6.504 4.779 0.842 448 HA ILE 58 HA ILE 58 3.944 4.690 2.100 449 HB ILE 58 HB ILE 58 5.193 3.152 -0.210 450 1HG1 ILE 58 2HG1 ILE 58 2.782 4.877 -0.441 451 2HG1 ILE 58 3HG1 ILE 58 4.327 5.700 -0.142 452 1HG2 ILE 58 1HG2 ILE 58 3.625 1.577 0.714 453 2HG2 ILE 58 2HG2 ILE 58 2.395 2.852 0.888 454 3HG2 ILE 58 3HG2 ILE 58 2.934 2.314 -0.724 455 1HD1 ILE 58 1HD1 ILE 58 5.355 4.663 -2.066 456 2HD1 ILE 58 2HD1 ILE 58 3.911 3.688 -2.385 457 3HD1 ILE 58 3HD1 ILE 58 3.850 5.454 -2.570 458 H ILE 59 H ILE 59 6.527 2.210 1.827 459 HA ILE 59 HA ILE 59 5.118 0.214 3.252 460 HB ILE 59 HB ILE 59 8.105 0.621 3.041 461 1HG1 ILE 59 2HG1 ILE 59 6.300 -1.320 1.552 462 2HG1 ILE 59 3HG1 ILE 59 6.649 0.273 0.892 463 1HG2 ILE 59 1HG2 ILE 59 7.558 -0.865 4.931 464 2HG2 ILE 59 2HG2 ILE 59 6.468 -1.810 3.908 465 3HG2 ILE 59 3HG2 ILE 59 8.213 -1.831 3.611 466 1HD1 ILE 59 1HD1 ILE 59 9.090 -0.237 0.968 467 2HD1 ILE 59 2HD1 ILE 59 8.693 -1.905 1.436 468 3HD1 ILE 59 3HD1 ILE 59 8.158 -1.268 -0.128 469 H HIS 60 H HIS 60 7.353 2.731 4.591 470 HA HIS 60 HA HIS 60 7.201 1.977 7.319 471 1HB HIS 60 2HB HIS 60 7.556 4.664 5.894 472 2HB HIS 60 3HB HIS 60 7.460 4.544 7.648 473 HD1 HIS 60 1HD HIS 60 10.097 5.134 5.519 474 HD2 HIS 60 2HD HIS 60 9.270 2.205 8.414 475 HE1 HIS 60 1HE HIS 60 12.357 4.234 6.319 476 H THR 61 H THR 61 5.088 3.967 5.212 477 HA THR 61 HA THR 61 3.413 4.759 7.393 478 HB THR 61 HB THR 61 2.564 4.610 4.488 479 HG1 THR 61 1HG THR 61 4.525 5.781 4.727 480 1HG2 THR 61 1HG2 THR 61 0.765 5.076 6.153 481 2HG2 THR 61 2HG2 THR 61 1.759 6.360 6.871 482 3HG2 THR 61 3HG2 THR 61 1.146 6.531 5.223 483 H ILE 62 H ILE 62 3.249 1.947 5.149 484 HA ILE 62 HA ILE 62 0.768 0.940 6.207 485 HB ILE 62 HB ILE 62 2.975 -0.430 4.651 486 1HG1 ILE 62 2HG1 ILE 62 0.208 0.479 3.748 487 2HG1 ILE 62 3HG1 ILE 62 1.605 1.550 3.634 488 1HG2 ILE 62 1HG2 ILE 62 1.193 -2.149 4.163 489 2HG2 ILE 62 2HG2 ILE 62 1.666 -2.125 5.860 490 3HG2 ILE 62 3HG2 ILE 62 0.147 -1.357 5.343 491 1HD1 ILE 62 1HD1 ILE 62 2.796 -0.071 2.247 492 2HD1 ILE 62 2HD1 ILE 62 1.359 -1.127 2.222 493 3HD1 ILE 62 3HD1 ILE 62 1.290 0.487 1.502 494 H GLU 63 H GLU 63 4.178 0.109 6.973 495 HA GLU 63 HA GLU 63 3.752 -1.799 9.023 496 1HB GLU 63 2HB GLU 63 5.887 0.349 8.654 497 2HB GLU 63 3HB GLU 63 5.959 -0.904 9.896 498 1HG GLU 63 2HG GLU 63 6.038 -2.668 8.240 499 2HG GLU 63 3HG GLU 63 5.766 -1.530 6.920 500 H SER 64 H SER 64 4.110 1.724 9.240 501 HA SER 64 HA SER 64 3.587 2.081 11.955 502 1HB SER 64 2HB SER 64 4.558 3.780 10.510 503 2HB SER 64 3HB SER 64 3.080 3.916 9.572 504 HG SER 64 HG SER 64 3.345 4.493 12.354 505 H LEU 65 H LEU 65 1.125 2.254 9.232 506 HA LEU 65 HA LEU 65 -1.091 2.611 10.922 507 1HB LEU 65 2HB LEU 65 -0.722 1.308 8.211 508 2HB LEU 65 3HB LEU 65 -2.319 1.550 8.916 509 HG LEU 65 HG LEU 65 -0.433 3.915 8.691 510 1HD1 LEU 65 1HD1 LEU 65 -1.395 4.354 6.461 511 2HD1 LEU 65 2HD1 LEU 65 -0.455 2.852 6.520 512 3HD1 LEU 65 3HD1 LEU 65 -2.234 2.784 6.512 513 1HD2 LEU 65 1HD2 LEU 65 -2.511 5.169 8.610 514 2HD2 LEU 65 2HD2 LEU 65 -3.471 3.676 8.571 515 3HD2 LEU 65 3HD2 LEU 65 -2.540 4.112 10.024 516 H GLY 66 H GLY 66 0.469 -0.450 9.839 517 1HA GLY 66 2HA GLY 66 -0.592 -1.745 12.185 518 2HA GLY 66 1HA GLY 66 -1.441 -2.303 10.741 519 H PHE 67 H PHE 67 0.918 -2.212 8.974 520 HA PHE 67 HA PHE 67 0.799 -5.084 9.693 521 1HB PHE 67 2HB PHE 67 0.479 -3.777 7.000 522 2HB PHE 67 3HB PHE 67 -0.060 -5.371 7.528 523 HD1 PHE 67 1HD PHE 67 -1.968 -5.530 9.191 524 HD2 PHE 67 2HD PHE 67 -0.869 -1.788 7.381 525 HE1 PHE 67 1HE PHE 67 -4.247 -4.641 9.644 526 HE2 PHE 67 2HE PHE 67 -3.127 -0.902 7.826 527 HZ PHE 67 HZ PHE 67 -4.880 -2.384 8.794 528 H GLU 68 H GLU 68 2.287 -6.643 8.923 529 HA GLU 68 HA GLU 68 4.950 -5.597 8.320 530 1HB GLU 68 2HB GLU 68 3.901 -8.422 8.284 531 2HB GLU 68 3HB GLU 68 5.600 -7.899 8.258 532 1HG GLU 68 2HG GLU 68 5.365 -7.133 10.551 533 2HG GLU 68 3HG GLU 68 3.658 -7.611 10.586 534 H ALA 69 H ALA 69 4.295 -4.498 6.268 535 HA ALA 69 HA ALA 69 3.204 -6.090 4.163 536 1HB ALA 69 1HB ALA 69 3.485 -4.025 2.821 537 2HB ALA 69 2HB ALA 69 2.915 -3.636 4.445 538 3HB ALA 69 3HB ALA 69 4.619 -3.378 4.022 539 H SER 70 H SER 70 4.204 -6.615 2.046 540 HA SER 70 HA SER 70 7.176 -6.963 2.022 541 1HB SER 70 2HB SER 70 5.009 -9.093 2.148 542 2HB SER 70 3HB SER 70 6.670 -9.441 1.684 543 HG SER 70 HG SER 70 6.602 -7.961 3.964 544 H LEU 71 H LEU 71 7.859 -6.436 -0.012 545 HA LEU 71 HA LEU 71 6.160 -6.049 -2.300 546 1HB LEU 71 2HB LEU 71 9.159 -6.503 -2.037 547 2HB LEU 71 3HB LEU 71 8.357 -5.949 -3.507 548 HG LEU 71 HG LEU 71 8.186 -4.409 -0.880 549 1HD1 LEU 71 1HD1 LEU 71 10.173 -4.070 -3.161 550 2HD1 LEU 71 2HD1 LEU 71 9.964 -2.959 -1.788 551 3HD1 LEU 71 3HD1 LEU 71 10.546 -4.609 -1.509 552 1HD2 LEU 71 1HD2 LEU 71 7.577 -2.547 -2.322 553 2HD2 LEU 71 2HD2 LEU 71 7.804 -3.534 -3.783 554 3HD2 LEU 71 3HD2 LEU 71 6.470 -3.878 -2.671 555 H VAL 72 H VAL 72 5.152 -7.536 -3.451 556 HA VAL 72 HA VAL 72 6.646 -9.939 -4.378 557 HB VAL 72 HB VAL 72 4.557 -11.246 -4.151 558 1HG1 VAL 72 1HG1 VAL 72 4.610 -11.522 -1.723 559 2HG1 VAL 72 2HG1 VAL 72 6.256 -11.241 -2.333 560 3HG1 VAL 72 3HG1 VAL 72 5.360 -9.918 -1.555 561 1HG2 VAL 72 1HG2 VAL 72 2.650 -10.497 -2.942 562 2HG2 VAL 72 2HG2 VAL 72 3.403 -8.930 -2.557 563 3HG2 VAL 72 3HG2 VAL 72 2.893 -9.302 -4.205 564 H LYS 73 H LYS 73 6.729 -7.678 -5.887 565 HA LYS 73 HA LYS 73 4.280 -7.627 -7.620 566 1HB LYS 73 2HB LYS 73 4.929 -5.330 -8.132 567 2HB LYS 73 3HB LYS 73 4.824 -5.588 -6.407 568 1HG LYS 73 2HG LYS 73 7.040 -5.438 -5.971 569 2HG LYS 73 3HG LYS 73 7.511 -5.997 -7.566 570 1HD LYS 73 2HD LYS 73 6.123 -3.393 -7.603 571 2HD LYS 73 3HD LYS 73 7.632 -3.371 -6.681 572 1HE LYS 73 2HE LYS 73 7.349 -4.392 -9.536 573 2HE LYS 73 3HE LYS 73 7.914 -2.775 -9.119 574 1HZ LYS 73 1HZ LYS 73 9.306 -5.033 -7.896 575 2HZ LYS 73 2HZ LYS 73 9.541 -4.796 -9.494 576 3HZ LYS 73 3HZ LYS 73 9.910 -3.607 -8.390 577 H ILE 74 H ILE 74 5.931 -6.178 -9.578 578 HA ILE 74 HA ILE 74 7.128 -8.411 -11.048 579 HB ILE 74 HB ILE 74 7.021 -5.445 -11.776 580 1HG1 ILE 74 2HG1 ILE 74 5.150 -6.222 -13.334 581 2HG1 ILE 74 3HG1 ILE 74 4.959 -7.631 -12.293 582 1HG2 ILE 74 1HG2 ILE 74 7.347 -6.295 -14.053 583 2HG2 ILE 74 2HG2 ILE 74 8.652 -6.880 -13.019 584 3HG2 ILE 74 3HG2 ILE 74 7.325 -7.968 -13.461 585 1HD1 ILE 74 1HD1 ILE 74 3.385 -5.618 -11.966 586 2HD1 ILE 74 2HD1 ILE 74 4.113 -6.219 -10.491 587 3HD1 ILE 74 3HD1 ILE 74 4.758 -4.752 -11.265 588 H GLU 75 H GLU 75 8.497 -8.677 -9.042 589 HA GLU 75 HA GLU 75 10.917 -7.002 -8.783 590 1HB GLU 75 2HB GLU 75 9.862 -9.585 -7.627 591 2HB GLU 75 3HB GLU 75 11.609 -9.377 -7.745 592 1HG GLU 75 2HG GLU 75 10.702 -8.707 -5.529 593 2HG GLU 75 3HG GLU 75 11.612 -7.438 -6.357 Start of MODEL 16 1 1H MET 1 H1 MET 1 7.664 7.241 -12.958 2 2H MET 1 H2 MET 1 8.999 8.006 -12.233 3 3H MET 1 H3 MET 1 7.486 8.557 -12.042 4 HA MET 1 HA MET 1 8.411 10.023 -13.538 5 1HB MET 1 2HB MET 1 9.262 7.540 -15.118 6 2HB MET 1 3HB MET 1 9.242 9.191 -15.768 7 1HG MET 1 2HG MET 1 10.796 9.847 -13.876 8 2HG MET 1 3HG MET 1 10.945 8.117 -13.506 9 1HE MET 1 1HE MET 1 13.535 8.316 -13.645 10 2HE MET 1 2HE MET 1 14.399 8.988 -15.051 11 3HE MET 1 3HE MET 1 13.385 10.046 -14.038 12 H GLY 2 H GLY 2 7.399 7.452 -15.736 13 1HA GLY 2 2HA GLY 2 4.520 8.138 -15.518 14 2HA GLY 2 1HA GLY 2 5.257 6.808 -16.437 15 H ASP 3 H ASP 3 3.309 5.952 -14.917 16 HA ASP 3 HA ASP 3 3.137 5.390 -12.409 17 1HB ASP 3 2HB ASP 3 3.163 3.225 -14.556 18 2HB ASP 3 3HB ASP 3 2.318 3.168 -13.003 19 H GLY 4 H GLY 4 4.464 4.757 -10.742 20 1HA GLY 4 2HA GLY 4 6.462 2.594 -11.163 21 2HA GLY 4 1HA GLY 4 6.029 3.408 -9.652 22 H VAL 5 H VAL 5 5.957 0.608 -9.835 23 HA VAL 5 HA VAL 5 3.089 0.156 -9.239 24 HB VAL 5 HB VAL 5 3.272 -0.648 -11.444 25 1HG1 VAL 5 1HG1 VAL 5 5.717 -1.036 -11.626 26 2HG1 VAL 5 2HG1 VAL 5 5.536 -2.503 -10.640 27 3HG1 VAL 5 3HG1 VAL 5 4.743 -2.384 -12.217 28 1HG2 VAL 5 1HG2 VAL 5 1.907 -1.914 -9.810 29 2HG2 VAL 5 2HG2 VAL 5 2.498 -2.919 -11.143 30 3HG2 VAL 5 3HG2 VAL 5 3.262 -3.030 -9.549 31 H LEU 6 H LEU 6 3.696 0.579 -7.159 32 HA LEU 6 HA LEU 6 5.549 -1.297 -5.825 33 1HB LEU 6 2HB LEU 6 5.712 1.022 -5.152 34 2HB LEU 6 3HB LEU 6 3.982 1.108 -4.800 35 HG LEU 6 HG LEU 6 4.269 -0.440 -2.916 36 1HD1 LEU 6 1HD1 LEU 6 6.013 -1.962 -3.692 37 2HD1 LEU 6 2HD1 LEU 6 7.173 -0.617 -3.855 38 3HD1 LEU 6 3HD1 LEU 6 6.615 -1.132 -2.254 39 1HD2 LEU 6 1HD2 LEU 6 5.720 0.995 -1.520 40 2HD2 LEU 6 2HD2 LEU 6 6.418 1.706 -2.995 41 3HD2 LEU 6 3HD2 LEU 6 4.710 1.967 -2.609 42 H GLU 7 H GLU 7 4.386 -2.970 -6.636 43 HA GLU 7 HA GLU 7 1.908 -3.768 -5.313 44 1HB GLU 7 2HB GLU 7 3.216 -4.618 -7.578 45 2HB GLU 7 3HB GLU 7 3.876 -5.747 -6.397 46 1HG GLU 7 2HG GLU 7 1.927 -6.737 -7.230 47 2HG GLU 7 3HG GLU 7 1.413 -6.129 -5.652 48 H LEU 8 H LEU 8 1.964 -4.287 -3.120 49 HA LEU 8 HA LEU 8 4.329 -5.801 -2.166 50 1HB LEU 8 2HB LEU 8 4.474 -4.561 -0.071 51 2HB LEU 8 3HB LEU 8 4.882 -3.620 -1.503 52 HG LEU 8 HG LEU 8 2.550 -2.584 -1.386 53 1HD1 LEU 8 1HD1 LEU 8 1.689 -2.452 1.006 54 2HD1 LEU 8 2HD1 LEU 8 1.418 -4.011 0.249 55 3HD1 LEU 8 3HD1 LEU 8 2.739 -3.824 1.412 56 1HD2 LEU 8 1HD2 LEU 8 4.558 -2.078 0.843 57 2HD2 LEU 8 2HD2 LEU 8 4.647 -1.426 -0.804 58 3HD2 LEU 8 3HD2 LEU 8 3.327 -0.936 0.264 59 H VAL 9 H VAL 9 3.907 -7.415 -0.785 60 HA VAL 9 HA VAL 9 1.079 -8.160 -0.338 61 HB VAL 9 HB VAL 9 3.734 -9.532 0.144 62 1HG1 VAL 9 1HG1 VAL 9 0.950 -10.405 1.046 63 2HG1 VAL 9 2HG1 VAL 9 2.367 -11.473 0.964 64 3HG1 VAL 9 3HG1 VAL 9 2.359 -10.111 2.090 65 1HG2 VAL 9 1HG2 VAL 9 2.652 -9.526 -2.158 66 2HG2 VAL 9 2HG2 VAL 9 2.836 -11.143 -1.450 67 3HG2 VAL 9 3HG2 VAL 9 1.254 -10.341 -1.447 68 H VAL 10 H VAL 10 0.097 -7.248 1.289 69 HA VAL 10 HA VAL 10 1.492 -5.978 3.548 70 HB VAL 10 HB VAL 10 -1.469 -6.348 2.968 71 1HG1 VAL 10 1HG1 VAL 10 -1.136 -5.773 5.312 72 2HG1 VAL 10 2HG1 VAL 10 0.005 -4.482 4.866 73 3HG1 VAL 10 3HG1 VAL 10 -1.717 -4.335 4.484 74 1HG2 VAL 10 1HG2 VAL 10 0.237 -3.914 2.358 75 2HG2 VAL 10 2HG2 VAL 10 -0.497 -4.999 1.148 76 3HG2 VAL 10 3HG2 VAL 10 -1.525 -4.011 2.184 77 H ARG 11 H ARG 11 0.796 -6.856 5.761 78 HA ARG 11 HA ARG 11 -0.722 -9.409 5.597 79 1HB ARG 11 2HB ARG 11 1.646 -9.154 7.475 80 2HB ARG 11 3HB ARG 11 0.696 -10.572 7.104 81 1HG ARG 11 2HG ARG 11 1.575 -10.672 4.809 82 2HG ARG 11 3HG ARG 11 2.558 -9.233 5.122 83 1HD ARG 11 2HD ARG 11 3.584 -10.515 7.089 84 2HD ARG 11 3HD ARG 11 2.876 -11.972 6.418 85 HE ARG 11 HE ARG 11 5.040 -10.211 5.377 86 1HH1 ARG 11 2HH2 ARG 11 2.881 -12.864 4.550 87 2HH1 ARG 11 1HH2 ARG 11 3.851 -13.474 3.240 88 1HH2 ARG 11 2HH1 ARG 11 6.280 -10.883 3.590 89 2HH2 ARG 11 1HH1 ARG 11 5.893 -12.337 2.719 90 H GLY 12 H GLY 12 -2.363 -9.405 6.936 91 1HA GLY 12 2HA GLY 12 -3.128 -9.244 9.221 92 2HA GLY 12 1HA GLY 12 -2.337 -7.679 9.389 93 H MET 13 H MET 13 -3.806 -8.009 6.245 94 HA MET 13 HA MET 13 -5.893 -6.107 7.012 95 1HB MET 13 2HB MET 13 -5.609 -7.526 4.364 96 2HB MET 13 3HB MET 13 -6.513 -6.067 4.760 97 1HG MET 13 2HG MET 13 -4.513 -4.783 4.901 98 2HG MET 13 3HG MET 13 -3.478 -6.215 5.000 99 1HE MET 13 1HE MET 13 -6.500 -6.131 2.569 100 2HE MET 13 2HE MET 13 -6.046 -4.424 2.721 101 3HE MET 13 3HE MET 13 -5.833 -5.298 1.169 102 H THR 14 H THR 14 -6.949 -7.363 8.562 103 HA THR 14 HA THR 14 -8.045 -9.966 7.946 104 HB THR 14 HB THR 14 -7.169 -9.355 10.125 105 HG1 THR 14 1HG THR 14 -8.820 -10.316 11.294 106 1HG2 THR 14 1HG2 THR 14 -7.945 -7.004 10.318 107 2HG2 THR 14 2HG2 THR 14 -9.624 -7.575 10.456 108 3HG2 THR 14 3HG2 THR 14 -8.436 -7.980 11.704 109 H CYS 15 H CYS 15 -9.371 -6.682 7.747 110 HA CYS 15 HA CYS 15 -12.005 -7.725 6.869 111 1HB CYS 15 2HB CYS 15 -12.296 -7.726 9.265 112 2HB CYS 15 3HB CYS 15 -11.452 -6.177 9.434 113 HG CYS 15 HG CYS 15 -13.905 -5.739 9.954 114 H ALA 16 H ALA 16 -13.252 -6.170 5.827 115 HA ALA 16 HA ALA 16 -12.524 -4.325 4.091 116 1HB ALA 16 1HB ALA 16 -14.859 -4.022 6.011 117 2HB ALA 16 2HB ALA 16 -14.679 -3.192 4.454 118 3HB ALA 16 3HB ALA 16 -14.837 -4.961 4.499 119 H SER 17 H SER 17 -13.018 -3.513 7.517 120 HA SER 17 HA SER 17 -12.433 -0.861 7.808 121 1HB SER 17 2HB SER 17 -11.396 -1.552 9.941 122 2HB SER 17 3HB SER 17 -12.955 -2.333 9.598 123 HG SER 17 HG SER 17 -11.529 -4.072 8.617 124 H CYS 18 H CYS 18 -9.919 -3.417 7.747 125 HA CYS 18 HA CYS 18 -7.652 -1.671 7.928 126 1HB CYS 18 2HB CYS 18 -7.969 -4.540 6.889 127 2HB CYS 18 3HB CYS 18 -6.415 -3.737 7.154 128 HG CYS 18 HG CYS 18 -8.800 -4.051 9.416 129 H VAL 19 H VAL 19 -9.449 -3.254 5.330 130 HA VAL 19 HA VAL 19 -7.810 -2.568 3.223 131 HB VAL 19 HB VAL 19 -10.624 -3.429 3.527 132 1HG1 VAL 19 1HG1 VAL 19 -11.182 -1.791 1.921 133 2HG1 VAL 19 2HG1 VAL 19 -9.734 -2.160 0.938 134 3HG1 VAL 19 3HG1 VAL 19 -11.063 -3.333 1.087 135 1HG2 VAL 19 1HG2 VAL 19 -8.495 -4.442 1.685 136 2HG2 VAL 19 2HG2 VAL 19 -8.740 -4.974 3.368 137 3HG2 VAL 19 3HG2 VAL 19 -10.022 -5.205 2.160 138 H HIS 20 H HIS 20 -10.893 -0.808 4.014 139 HA HIS 20 HA HIS 20 -10.098 1.300 2.242 140 1HB HIS 20 2HB HIS 20 -12.040 2.404 2.663 141 2HB HIS 20 3HB HIS 20 -12.471 0.704 2.874 142 HD1 HIS 20 1HD HIS 20 -13.520 3.717 4.346 143 HD2 HIS 20 2HD HIS 20 -11.942 0.138 5.807 144 HE1 HIS 20 1HE HIS 20 -14.296 3.499 6.786 145 H LYS 21 H LYS 21 -9.530 0.790 5.710 146 HA LYS 21 HA LYS 21 -8.670 3.381 6.325 147 1HB LYS 21 2HB LYS 21 -8.919 1.696 8.051 148 2HB LYS 21 3HB LYS 21 -7.622 0.713 7.351 149 1HG LYS 21 2HG LYS 21 -6.913 1.949 9.353 150 2HG LYS 21 3HG LYS 21 -5.956 2.390 7.933 151 1HD LYS 21 2HD LYS 21 -7.236 4.443 7.637 152 2HD LYS 21 3HD LYS 21 -8.364 3.975 8.930 153 1HE LYS 21 2HE LYS 21 -6.551 4.174 10.595 154 2HE LYS 21 3HE LYS 21 -5.376 4.484 9.302 155 1HZ LYS 21 1HZ LYS 21 -7.618 6.261 9.934 156 2HZ LYS 21 2HZ LYS 21 -6.047 6.493 10.364 157 3HZ LYS 21 3HZ LYS 21 -6.463 6.494 8.776 158 H ILE 22 H ILE 22 -6.714 0.615 4.949 159 HA ILE 22 HA ILE 22 -4.297 2.139 4.671 160 HB ILE 22 HB ILE 22 -5.374 -0.301 3.255 161 1HG1 ILE 22 2HG1 ILE 22 -3.111 0.194 5.250 162 2HG1 ILE 22 3HG1 ILE 22 -4.719 -0.458 5.616 163 1HG2 ILE 22 1HG2 ILE 22 -2.704 1.102 2.820 164 2HG2 ILE 22 2HG2 ILE 22 -3.069 -0.542 2.251 165 3HG2 ILE 22 3HG2 ILE 22 -3.955 0.809 1.591 166 1HD1 ILE 22 1HD1 ILE 22 -3.274 -2.314 5.490 167 2HD1 ILE 22 2HD1 ILE 22 -4.241 -2.329 4.012 168 3HD1 ILE 22 3HD1 ILE 22 -2.542 -1.753 3.987 169 H GLU 23 H GLU 23 -6.894 1.541 2.213 170 HA GLU 23 HA GLU 23 -5.612 3.059 0.239 171 1HB GLU 23 2HB GLU 23 -8.636 2.816 0.567 172 2HB GLU 23 3HB GLU 23 -7.719 3.214 -0.896 173 1HG GLU 23 2HG GLU 23 -6.481 0.949 -0.495 174 2HG GLU 23 3HG GLU 23 -7.831 0.572 0.583 175 H SER 24 H SER 24 -8.032 4.199 2.631 176 HA SER 24 HA SER 24 -7.958 6.950 1.979 177 1HB SER 24 2HB SER 24 -9.625 5.851 3.445 178 2HB SER 24 3HB SER 24 -8.401 5.627 4.696 179 HG SER 24 HG SER 24 -8.212 8.121 4.297 180 H SER 25 H SER 25 -5.861 5.054 4.164 181 HA SER 25 HA SER 25 -4.461 7.281 5.328 182 1HB SER 25 2HB SER 25 -3.826 4.348 5.031 183 2HB SER 25 3HB SER 25 -2.820 5.384 5.998 184 HG SER 25 HG SER 25 -5.550 4.760 6.346 185 H LEU 26 H LEU 26 -3.719 5.214 2.467 186 HA LEU 26 HA LEU 26 -1.257 6.700 2.063 187 1HB LEU 26 2HB LEU 26 -2.643 5.092 -0.056 188 2HB LEU 26 3HB LEU 26 -0.940 5.635 0.100 189 HG LEU 26 HG LEU 26 -1.923 3.868 2.285 190 1HD1 LEU 26 1HD1 LEU 26 -1.424 1.860 0.867 191 2HD1 LEU 26 2HD1 LEU 26 -2.883 2.731 0.369 192 3HD1 LEU 26 3HD1 LEU 26 -1.377 2.923 -0.554 193 1HD2 LEU 26 1HD2 LEU 26 0.373 4.814 2.218 194 2HD2 LEU 26 2HD2 LEU 26 0.378 3.042 2.114 195 3HD2 LEU 26 3HD2 LEU 26 0.633 4.024 0.653 196 H THR 27 H THR 27 -4.572 6.817 0.689 197 HA THR 27 HA THR 27 -3.982 8.761 -1.299 198 HB THR 27 HB THR 27 -6.707 8.081 -0.170 199 HG1 THR 27 1HG THR 27 -5.883 6.215 -0.841 200 1HG2 THR 27 1HG2 THR 27 -6.691 10.057 -1.704 201 2HG2 THR 27 2HG2 THR 27 -5.782 9.106 -2.902 202 3HG2 THR 27 3HG2 THR 27 -7.438 8.646 -2.470 203 H LYS 28 H LYS 28 -2.782 10.116 0.049 204 HA LYS 28 HA LYS 28 -3.943 12.557 0.949 205 1HB LYS 28 2HB LYS 28 -3.632 12.427 3.323 206 2HB LYS 28 3HB LYS 28 -4.658 11.084 2.837 207 1HG LYS 28 2HG LYS 28 -3.395 9.926 4.180 208 2HG LYS 28 3HG LYS 28 -2.329 9.778 2.779 209 1HD LYS 28 2HD LYS 28 -0.965 11.698 3.674 210 2HD LYS 28 3HD LYS 28 -2.099 11.831 5.035 211 1HE LYS 28 2HE LYS 28 -1.564 9.469 5.690 212 2HE LYS 28 3HE LYS 28 -0.400 9.374 4.364 213 1HZ LYS 28 1HZ LYS 28 -0.257 11.203 6.675 214 2HZ LYS 28 2HZ LYS 28 0.659 9.858 6.444 215 3HZ LYS 28 3HZ LYS 28 0.835 11.155 5.444 216 H HIS 29 H HIS 29 -1.074 10.317 0.931 217 HA HIS 29 HA HIS 29 0.868 12.141 1.695 218 1HB HIS 29 2HB HIS 29 1.124 9.999 -0.458 219 2HB HIS 29 3HB HIS 29 2.449 10.853 0.323 220 HD1 HIS 29 1HD HIS 29 2.853 10.275 2.956 221 HD2 HIS 29 2HD HIS 29 0.309 7.799 0.708 222 HE1 HIS 29 1HE HIS 29 2.582 8.072 4.234 223 H ARG 30 H ARG 30 0.272 11.396 -1.693 224 HA ARG 30 HA ARG 30 -0.478 13.026 -3.249 225 1HB ARG 30 2HB ARG 30 1.799 14.709 -2.078 226 2HB ARG 30 3HB ARG 30 1.304 14.959 -3.707 227 1HG ARG 30 2HG ARG 30 -0.816 15.027 -1.552 228 2HG ARG 30 3HG ARG 30 0.202 16.429 -1.936 229 1HD ARG 30 2HD ARG 30 -0.416 16.243 -4.332 230 2HD ARG 30 3HD ARG 30 -1.535 14.915 -3.942 231 HE ARG 30 HE ARG 30 -2.234 17.065 -2.289 232 1HH1 ARG 30 2HH2 ARG 30 -2.094 16.344 -5.733 233 2HH1 ARG 30 1HH2 ARG 30 -3.318 17.477 -6.208 234 1HH2 ARG 30 2HH1 ARG 30 -3.890 18.600 -2.869 235 2HH2 ARG 30 1HH1 ARG 30 -4.375 18.782 -4.523 236 H GLY 31 H GLY 31 2.223 11.080 -2.740 237 1HA GLY 31 2HA GLY 31 2.950 11.274 -5.639 238 2HA GLY 31 1HA GLY 31 3.939 10.566 -4.377 239 H ILE 32 H ILE 32 0.563 9.962 -4.345 240 HA ILE 32 HA ILE 32 0.928 7.179 -5.301 241 HB ILE 32 HB ILE 32 -0.383 6.388 -3.639 242 1HG1 ILE 32 2HG1 ILE 32 -2.286 7.901 -3.614 243 2HG1 ILE 32 3HG1 ILE 32 -1.711 7.495 -2.013 244 1HG2 ILE 32 1HG2 ILE 32 0.669 6.952 -1.573 245 2HG2 ILE 32 2HG2 ILE 32 1.833 6.943 -2.907 246 3HG2 ILE 32 3HG2 ILE 32 1.268 8.483 -2.239 247 1HD1 ILE 32 1HD1 ILE 32 -0.672 9.656 -1.725 248 2HD1 ILE 32 2HD1 ILE 32 -1.073 10.147 -3.389 249 3HD1 ILE 32 3HD1 ILE 32 -2.346 9.892 -2.215 250 H LEU 33 H LEU 33 -0.186 6.753 -7.135 251 HA LEU 33 HA LEU 33 -2.304 8.657 -8.004 252 1HB LEU 33 2HB LEU 33 -1.039 6.377 -9.546 253 2HB LEU 33 3HB LEU 33 -1.977 7.727 -10.175 254 HG LEU 33 HG LEU 33 0.807 7.912 -8.914 255 1HD1 LEU 33 1HD1 LEU 33 -0.113 8.211 -11.800 256 2HD1 LEU 33 2HD1 LEU 33 1.542 8.437 -11.194 257 3HD1 LEU 33 3HD1 LEU 33 0.788 6.836 -11.125 258 1HD2 LEU 33 1HD2 LEU 33 -0.941 10.069 -10.189 259 2HD2 LEU 33 2HD2 LEU 33 -0.444 9.989 -8.482 260 3HD2 LEU 33 3HD2 LEU 33 0.768 10.260 -9.740 261 H TYR 34 H TYR 34 -1.853 5.199 -7.084 262 HA TYR 34 HA TYR 34 -4.635 5.031 -6.588 263 1HB TYR 34 2HB TYR 34 -4.349 4.580 -9.163 264 2HB TYR 34 3HB TYR 34 -3.519 3.098 -8.679 265 HD1 TYR 34 HD1 TYR 34 -6.631 4.956 -7.646 266 HD2 TYR 34 HD2 TYR 34 -4.889 1.215 -8.911 267 HE1 TYR 34 HE1 TYR 34 -8.693 3.819 -7.072 268 HE2 TYR 34 HE2 TYR 34 -7.056 0.107 -8.591 269 HH TYR 34 HH TYR 34 -9.846 1.765 -7.056 270 H CYS 35 H CYS 35 -5.081 2.959 -5.475 271 HA CYS 35 HA CYS 35 -2.721 1.696 -4.204 272 1HB CYS 35 2HB CYS 35 -3.353 2.655 -2.018 273 2HB CYS 35 3HB CYS 35 -2.908 3.920 -3.177 274 HG CYS 35 HG CYS 35 -4.799 5.003 -2.018 275 H SER 36 H SER 36 -4.103 0.014 -5.493 276 HA SER 36 HA SER 36 -6.718 -0.510 -4.286 277 1HB SER 36 2HB SER 36 -6.180 -0.770 -6.742 278 2HB SER 36 3HB SER 36 -5.366 -2.280 -6.329 279 HG SER 36 HG SER 36 -8.057 -1.637 -5.669 280 H VAL 37 H VAL 37 -6.618 -1.366 -2.229 281 HA VAL 37 HA VAL 37 -4.536 -3.419 -1.696 282 HB VAL 37 HB VAL 37 -4.924 -1.255 -0.280 283 1HG1 VAL 37 1HG1 VAL 37 -6.822 -3.042 1.212 284 2HG1 VAL 37 2HG1 VAL 37 -6.291 -1.416 1.607 285 3HG1 VAL 37 3HG1 VAL 37 -7.336 -1.685 0.197 286 1HG2 VAL 37 1HG2 VAL 37 -3.195 -2.544 0.345 287 2HG2 VAL 37 2HG2 VAL 37 -4.225 -2.710 1.767 288 3HG2 VAL 37 3HG2 VAL 37 -4.142 -4.012 0.555 289 H ALA 38 H ALA 38 -5.108 -5.337 -2.465 290 HA ALA 38 HA ALA 38 -7.942 -6.185 -2.285 291 1HB ALA 38 1HB ALA 38 -7.164 -7.988 -3.786 292 2HB ALA 38 2HB ALA 38 -6.910 -6.356 -4.438 293 3HB ALA 38 3HB ALA 38 -5.536 -7.255 -3.774 294 H LEU 39 H LEU 39 -8.125 -6.614 -0.108 295 HA LEU 39 HA LEU 39 -6.679 -8.130 1.666 296 1HB LEU 39 2HB LEU 39 -8.770 -7.061 2.135 297 2HB LEU 39 3HB LEU 39 -9.686 -8.184 1.130 298 HG LEU 39 HG LEU 39 -8.027 -9.268 3.412 299 1HD1 LEU 39 1HD1 LEU 39 -10.712 -7.868 3.748 300 2HD1 LEU 39 2HD1 LEU 39 -9.906 -8.863 4.978 301 3HD1 LEU 39 3HD1 LEU 39 -9.154 -7.355 4.438 302 1HD2 LEU 39 1HD2 LEU 39 -9.930 -10.845 3.618 303 2HD2 LEU 39 2HD2 LEU 39 -10.796 -9.990 2.328 304 3HD2 LEU 39 3HD2 LEU 39 -9.304 -10.878 1.971 305 H ALA 40 H ALA 40 -8.465 -9.347 -1.108 306 HA ALA 40 HA ALA 40 -8.631 -12.095 -0.481 307 1HB ALA 40 1HB ALA 40 -8.868 -12.393 -2.922 308 2HB ALA 40 2HB ALA 40 -9.829 -11.012 -2.356 309 3HB ALA 40 3HB ALA 40 -8.282 -10.738 -3.194 310 H THR 41 H THR 41 -5.967 -10.143 -1.716 311 HA THR 41 HA THR 41 -4.150 -12.518 -1.769 312 HB THR 41 HB THR 41 -4.490 -11.809 -4.000 313 HG1 THR 41 1HG THR 41 -2.101 -10.897 -2.856 314 1HG2 THR 41 1HG2 THR 41 -4.221 -9.567 -4.847 315 2HG2 THR 41 2HG2 THR 41 -5.592 -9.723 -3.774 316 3HG2 THR 41 3HG2 THR 41 -4.107 -8.946 -3.177 317 H ASN 42 H ASN 42 -5.097 -10.405 0.292 318 HA ASN 42 HA ASN 42 -4.377 -8.624 1.488 319 1HB ASN 42 2HB ASN 42 -3.354 -11.168 2.334 320 2HB ASN 42 3HB ASN 42 -2.141 -9.984 2.758 321 1HD2 ASN 42 1HD2 ASN 42 -5.757 -10.342 2.839 322 2HD2 ASN 42 2HD2 ASN 42 -5.923 -9.672 4.465 323 H LYS 43 H LYS 43 -3.654 -7.785 -0.857 324 HA LYS 43 HA LYS 43 -0.829 -6.856 -0.541 325 1HB LYS 43 2HB LYS 43 -0.430 -8.533 -2.028 326 2HB LYS 43 3HB LYS 43 -2.016 -8.463 -2.751 327 1HG LYS 43 2HG LYS 43 -0.133 -6.151 -3.264 328 2HG LYS 43 3HG LYS 43 0.142 -7.676 -4.050 329 1HD LYS 43 2HD LYS 43 -2.674 -6.494 -4.092 330 2HD LYS 43 3HD LYS 43 -1.435 -5.847 -5.185 331 1HE LYS 43 2HE LYS 43 -2.156 -8.777 -4.931 332 2HE LYS 43 3HE LYS 43 -2.896 -7.707 -6.129 333 1HZ LYS 43 1HZ LYS 43 -0.967 -9.018 -6.981 334 2HZ LYS 43 2HZ LYS 43 -0.709 -7.355 -7.092 335 3HZ LYS 43 3HZ LYS 43 0.000 -8.335 -5.964 336 H ALA 44 H ALA 44 -0.314 -4.922 -1.266 337 HA ALA 44 HA ALA 44 -2.502 -3.045 -2.022 338 1HB ALA 44 1HB ALA 44 -1.242 -1.326 -1.129 339 2HB ALA 44 2HB ALA 44 -1.001 -2.617 0.058 340 3HB ALA 44 3HB ALA 44 0.267 -2.263 -1.120 341 H HIS 45 H HIS 45 -2.669 -3.067 -4.182 342 HA HIS 45 HA HIS 45 -0.286 -2.941 -5.956 343 1HB HIS 45 2HB HIS 45 -2.396 -4.206 -6.566 344 2HB HIS 45 3HB HIS 45 -3.234 -2.658 -6.573 345 HD1 HIS 45 1HD HIS 45 -1.536 -4.903 -8.836 346 HD2 HIS 45 2HD HIS 45 -1.289 -0.865 -8.147 347 HE1 HIS 45 1HE HIS 45 -0.796 -3.886 -11.055 348 H ILE 46 H ILE 46 0.756 -1.091 -5.154 349 HA ILE 46 HA ILE 46 -0.864 1.391 -5.213 350 HB ILE 46 HB ILE 46 1.819 0.997 -3.923 351 1HG1 ILE 46 2HG1 ILE 46 -1.013 1.061 -2.751 352 2HG1 ILE 46 3HG1 ILE 46 0.013 -0.378 -2.875 353 1HG2 ILE 46 1HG2 ILE 46 -0.262 3.232 -3.717 354 2HG2 ILE 46 2HG2 ILE 46 1.343 3.210 -2.966 355 3HG2 ILE 46 3HG2 ILE 46 1.200 3.337 -4.708 356 1HD1 ILE 46 1HD1 ILE 46 1.678 0.598 -1.447 357 2HD1 ILE 46 2HD1 ILE 46 0.678 2.074 -1.253 358 3HD1 ILE 46 3HD1 ILE 46 0.101 0.520 -0.635 359 H LYS 47 H LYS 47 -0.886 2.386 -6.996 360 HA LYS 47 HA LYS 47 1.345 2.375 -8.937 361 1HB LYS 47 2HB LYS 47 -1.421 3.552 -8.750 362 2HB LYS 47 3HB LYS 47 -0.307 4.119 -9.988 363 1HG LYS 47 2HG LYS 47 -0.914 1.149 -9.710 364 2HG LYS 47 3HG LYS 47 -2.000 2.248 -10.583 365 1HD LYS 47 2HD LYS 47 -0.078 3.061 -11.950 366 2HD LYS 47 3HD LYS 47 0.962 1.841 -11.194 367 1HE LYS 47 2HE LYS 47 -0.382 0.035 -12.156 368 2HE LYS 47 3HE LYS 47 -1.605 1.194 -12.717 369 1HZ LYS 47 1HZ LYS 47 0.040 2.197 -14.132 370 2HZ LYS 47 2HZ LYS 47 1.167 1.109 -13.694 371 3HZ LYS 47 3HZ LYS 47 -0.172 0.611 -14.525 372 H TYR 48 H TYR 48 2.675 3.105 -7.032 373 HA TYR 48 HA TYR 48 2.437 5.926 -6.275 374 1HB TYR 48 2HB TYR 48 4.247 5.657 -4.952 375 2HB TYR 48 3HB TYR 48 3.508 4.068 -4.862 376 HD1 TYR 48 HD1 TYR 48 4.616 2.758 -7.384 377 HD2 TYR 48 HD2 TYR 48 6.492 5.310 -4.449 378 HE1 TYR 48 HE1 TYR 48 6.802 1.738 -7.875 379 HE2 TYR 48 HE2 TYR 48 8.667 4.307 -4.975 380 HH TYR 48 HH TYR 48 9.082 1.796 -7.478 381 H ASP 49 H ASP 49 4.126 7.533 -6.845 382 HA ASP 49 HA ASP 49 5.497 6.928 -9.436 383 1HB ASP 49 2HB ASP 49 3.846 8.638 -9.767 384 2HB ASP 49 3HB ASP 49 4.495 9.572 -8.409 385 HA PRO 50 HA PRO 50 8.592 6.755 -6.221 386 1HB PRO 50 2HB PRO 50 10.875 6.385 -7.852 387 2HB PRO 50 3HB PRO 50 9.834 5.132 -7.133 388 1HG PRO 50 2HG PRO 50 9.756 6.287 -9.896 389 2HG PRO 50 3HG PRO 50 9.453 4.602 -9.399 390 1HD PRO 50 2HD PRO 50 7.451 6.296 -10.037 391 2HD PRO 50 3HD PRO 50 7.246 5.132 -8.689 392 H GLU 51 H GLU 51 9.046 8.959 -9.009 393 HA GLU 51 HA GLU 51 11.127 10.481 -7.992 394 1HB GLU 51 2HB GLU 51 8.934 12.009 -9.319 395 2HB GLU 51 3HB GLU 51 10.677 12.041 -9.580 396 1HG GLU 51 2HG GLU 51 8.622 10.097 -10.652 397 2HG GLU 51 3HG GLU 51 9.610 11.238 -11.551 398 H ILE 52 H ILE 52 7.774 10.420 -6.875 399 HA ILE 52 HA ILE 52 8.229 12.889 -5.227 400 HB ILE 52 HB ILE 52 5.755 13.202 -5.456 401 1HG1 ILE 52 2HG1 ILE 52 6.054 11.225 -7.767 402 2HG1 ILE 52 3HG1 ILE 52 5.182 10.906 -6.268 403 1HG2 ILE 52 1HG2 ILE 52 7.315 13.259 -8.059 404 2HG2 ILE 52 2HG2 ILE 52 5.993 14.348 -7.578 405 3HG2 ILE 52 3HG2 ILE 52 7.548 14.430 -6.737 406 1HD1 ILE 52 1HD1 ILE 52 4.518 12.882 -8.489 407 2HD1 ILE 52 2HD1 ILE 52 3.533 11.552 -7.880 408 3HD1 ILE 52 3HD1 ILE 52 3.763 13.003 -6.882 409 H ILE 53 H ILE 53 7.911 9.566 -4.863 410 HA ILE 53 HA ILE 53 7.651 10.059 -2.043 411 HB ILE 53 HB ILE 53 5.208 9.956 -2.799 412 1HG1 ILE 53 2HG1 ILE 53 6.075 7.762 -0.942 413 2HG1 ILE 53 3HG1 ILE 53 5.987 9.508 -0.562 414 1HG2 ILE 53 1HG2 ILE 53 4.234 7.917 -3.509 415 2HG2 ILE 53 2HG2 ILE 53 5.586 8.266 -4.601 416 3HG2 ILE 53 3HG2 ILE 53 5.742 7.028 -3.290 417 1HD1 ILE 53 1HD1 ILE 53 3.970 8.483 0.252 418 2HD1 ILE 53 2HD1 ILE 53 3.573 9.490 -1.163 419 3HD1 ILE 53 3HD1 ILE 53 3.646 7.723 -1.314 420 H GLY 54 H GLY 54 8.889 8.411 -0.921 421 1HA GLY 54 2HA GLY 54 10.349 6.650 -2.748 422 2HA GLY 54 1HA GLY 54 10.579 6.859 -1.003 423 HA PRO 55 HA PRO 55 7.636 3.181 -1.846 424 1HB PRO 55 2HB PRO 55 9.401 1.068 -1.616 425 2HB PRO 55 3HB PRO 55 8.931 1.801 -3.175 426 1HG PRO 55 2HG PRO 55 11.435 2.320 -1.576 427 2HG PRO 55 3HG PRO 55 11.268 2.087 -3.339 428 1HD PRO 55 2HD PRO 55 11.464 4.566 -2.167 429 2HD PRO 55 3HD PRO 55 10.525 4.291 -3.655 430 H ARG 56 H ARG 56 10.617 3.632 0.037 431 HA ARG 56 HA ARG 56 9.980 2.452 2.439 432 1HB ARG 56 2HB ARG 56 11.586 3.939 3.462 433 2HB ARG 56 3HB ARG 56 12.133 3.367 1.891 434 1HG ARG 56 2HG ARG 56 12.688 5.541 1.552 435 2HG ARG 56 3HG ARG 56 10.995 5.702 1.089 436 1HD ARG 56 2HD ARG 56 10.618 6.182 3.657 437 2HD ARG 56 3HD ARG 56 12.361 6.434 3.701 438 HE ARG 56 HE ARG 56 10.442 7.859 1.841 439 1HH1 ARG 56 2HH2 ARG 56 13.304 8.241 3.854 440 2HH1 ARG 56 1HH2 ARG 56 13.040 9.932 4.152 441 1HH2 ARG 56 2HH1 ARG 56 9.893 9.932 2.518 442 2HH2 ARG 56 1HH1 ARG 56 11.127 10.995 3.148 443 H ASP 57 H ASP 57 8.817 5.723 1.340 444 HA ASP 57 HA ASP 57 7.679 6.517 3.818 445 1HB ASP 57 2HB ASP 57 6.730 7.100 0.986 446 2HB ASP 57 3HB ASP 57 6.238 7.980 2.432 447 H ILE 58 H ILE 58 6.257 4.917 0.982 448 HA ILE 58 HA ILE 58 3.628 4.556 2.030 449 HB ILE 58 HB ILE 58 5.248 3.258 -0.181 450 1HG1 ILE 58 2HG1 ILE 58 2.726 4.940 -0.330 451 2HG1 ILE 58 3HG1 ILE 58 4.314 5.696 -0.150 452 1HG2 ILE 58 1HG2 ILE 58 2.386 2.616 0.633 453 2HG2 ILE 58 2HG2 ILE 58 3.070 2.279 -0.969 454 3HG2 ILE 58 3HG2 ILE 58 3.742 1.488 0.454 455 1HD1 ILE 58 1HD1 ILE 58 3.500 3.904 -2.457 456 2HD1 ILE 58 2HD1 ILE 58 3.756 5.649 -2.496 457 3HD1 ILE 58 3HD1 ILE 58 5.129 4.570 -2.190 458 H ILE 59 H ILE 59 6.437 2.383 1.902 459 HA ILE 59 HA ILE 59 5.282 0.187 3.297 460 HB ILE 59 HB ILE 59 8.094 1.142 2.885 461 1HG1 ILE 59 2HG1 ILE 59 8.350 -1.285 2.272 462 2HG1 ILE 59 3HG1 ILE 59 6.646 -1.541 2.636 463 1HG2 ILE 59 1HG2 ILE 59 8.257 0.644 5.274 464 2HG2 ILE 59 2HG2 ILE 59 7.390 -0.893 5.039 465 3HG2 ILE 59 3HG2 ILE 59 9.006 -0.649 4.352 466 1HD1 ILE 59 1HD1 ILE 59 7.833 0.217 0.450 467 2HD1 ILE 59 2HD1 ILE 59 6.944 -1.296 0.250 468 3HD1 ILE 59 3HD1 ILE 59 6.089 0.143 0.819 469 H HIS 60 H HIS 60 6.977 3.056 4.697 470 HA HIS 60 HA HIS 60 6.530 2.370 7.382 471 1HB HIS 60 2HB HIS 60 6.598 5.180 6.238 472 2HB HIS 60 3HB HIS 60 6.781 4.719 7.927 473 HD1 HIS 60 1HD HIS 60 9.017 6.184 5.999 474 HD2 HIS 60 2HD HIS 60 8.867 2.218 7.393 475 HE1 HIS 60 1HE HIS 60 11.422 5.304 5.979 476 H THR 61 H THR 61 4.335 4.296 5.174 477 HA THR 61 HA THR 61 2.322 4.708 7.058 478 HB THR 61 HB THR 61 1.681 3.844 4.205 479 HG1 THR 61 1HG THR 61 2.153 6.002 3.637 480 1HG2 THR 61 1HG2 THR 61 0.544 5.993 6.053 481 2HG2 THR 61 2HG2 THR 61 -0.045 5.608 4.424 482 3HG2 THR 61 3HG2 THR 61 -0.201 4.415 5.727 483 H ILE 62 H ILE 62 2.770 1.846 4.928 484 HA ILE 62 HA ILE 62 0.449 0.481 5.830 485 HB ILE 62 HB ILE 62 2.995 -0.583 4.586 486 1HG1 ILE 62 2HG1 ILE 62 1.610 1.036 3.224 487 2HG1 ILE 62 3HG1 ILE 62 1.934 -0.546 2.525 488 1HG2 ILE 62 1HG2 ILE 62 1.904 -2.438 5.730 489 2HG2 ILE 62 2HG2 ILE 62 0.308 -1.933 5.159 490 3HG2 ILE 62 3HG2 ILE 62 1.500 -2.571 4.010 491 1HD1 ILE 62 1HD1 ILE 62 -0.346 -1.289 3.014 492 2HD1 ILE 62 2HD1 ILE 62 -0.686 0.240 3.866 493 3HD1 ILE 62 3HD1 ILE 62 -0.367 0.230 2.121 494 H GLU 63 H GLU 63 3.915 -0.038 6.910 495 HA GLU 63 HA GLU 63 2.950 -1.923 8.834 496 1HB GLU 63 2HB GLU 63 5.152 -2.004 9.794 497 2HB GLU 63 3HB GLU 63 5.156 -2.174 8.043 498 1HG GLU 63 2HG GLU 63 7.040 -0.857 8.584 499 2HG GLU 63 3HG GLU 63 5.869 0.243 7.869 500 H SER 64 H SER 64 3.792 1.519 9.140 501 HA SER 64 HA SER 64 3.451 1.678 11.896 502 1HB SER 64 2HB SER 64 4.550 3.405 10.541 503 2HB SER 64 3HB SER 64 2.972 3.888 9.878 504 HG SER 64 HG SER 64 2.475 3.989 12.338 505 H LEU 65 H LEU 65 0.822 1.492 9.437 506 HA LEU 65 HA LEU 65 -1.213 2.257 11.343 507 1HB LEU 65 2HB LEU 65 -1.202 0.469 8.905 508 2HB LEU 65 3HB LEU 65 -2.672 0.865 9.805 509 HG LEU 65 HG LEU 65 -0.877 3.128 8.856 510 1HD1 LEU 65 1HD1 LEU 65 -2.013 3.143 6.700 511 2HD1 LEU 65 2HD1 LEU 65 -1.134 1.623 6.963 512 3HD1 LEU 65 3HD1 LEU 65 -2.910 1.667 7.134 513 1HD2 LEU 65 1HD2 LEU 65 -2.775 3.638 10.333 514 2HD2 LEU 65 2HD2 LEU 65 -3.018 4.303 8.707 515 3HD2 LEU 65 3HD2 LEU 65 -3.871 2.815 9.199 516 H GLY 66 H GLY 66 -0.862 -1.137 10.169 517 1HA GLY 66 2HA GLY 66 -0.134 -2.068 12.823 518 2HA GLY 66 1HA GLY 66 -1.828 -2.411 12.433 519 H PHE 67 H PHE 67 0.672 -2.424 9.884 520 HA PHE 67 HA PHE 67 0.062 -5.339 9.571 521 1HB PHE 67 2HB PHE 67 0.619 -3.246 7.464 522 2HB PHE 67 3HB PHE 67 0.038 -4.882 7.203 523 HD1 PHE 67 1HD PHE 67 -2.184 -5.434 8.700 524 HD2 PHE 67 2HD PHE 67 -1.043 -1.522 7.295 525 HE1 PHE 67 1HE PHE 67 -4.490 -4.610 9.078 526 HE2 PHE 67 2HE PHE 67 -3.290 -0.680 7.810 527 HZ PHE 67 HZ PHE 67 -5.044 -2.223 8.590 528 H GLU 68 H GLU 68 1.531 -6.474 8.042 529 HA GLU 68 HA GLU 68 4.409 -5.622 8.225 530 1HB GLU 68 2HB GLU 68 3.549 -8.093 8.725 531 2HB GLU 68 3HB GLU 68 3.477 -8.176 6.948 532 1HG GLU 68 2HG GLU 68 5.990 -7.453 8.481 533 2HG GLU 68 3HG GLU 68 5.554 -9.105 8.039 534 H ALA 69 H ALA 69 5.488 -5.671 5.978 535 HA ALA 69 HA ALA 69 3.686 -5.586 3.722 536 1HB ALA 69 1HB ALA 69 3.593 -3.236 4.531 537 2HB ALA 69 2HB ALA 69 5.351 -3.120 4.492 538 3HB ALA 69 3HB ALA 69 4.443 -3.305 2.976 539 H SER 70 H SER 70 4.819 -7.262 2.804 540 HA SER 70 HA SER 70 7.752 -7.048 2.314 541 1HB SER 70 2HB SER 70 5.668 -9.164 1.671 542 2HB SER 70 3HB SER 70 7.386 -9.278 1.256 543 HG SER 70 HG SER 70 6.559 -8.815 3.958 544 H LEU 71 H LEU 71 8.392 -5.914 0.470 545 HA LEU 71 HA LEU 71 6.575 -5.095 -1.611 546 1HB LEU 71 2HB LEU 71 9.625 -5.289 -1.598 547 2HB LEU 71 3HB LEU 71 8.642 -4.600 -2.887 548 HG LEU 71 HG LEU 71 7.682 -2.978 -1.159 549 1HD1 LEU 71 1HD1 LEU 71 8.411 -3.860 0.966 550 2HD1 LEU 71 2HD1 LEU 71 10.084 -4.056 0.388 551 3HD1 LEU 71 3HD1 LEU 71 9.417 -2.444 0.663 552 1HD2 LEU 71 1HD2 LEU 71 9.602 -1.452 -1.470 553 2HD2 LEU 71 2HD2 LEU 71 10.625 -2.829 -1.933 554 3HD2 LEU 71 3HD2 LEU 71 9.251 -2.351 -2.953 555 H VAL 72 H VAL 72 6.094 -5.969 -3.609 556 HA VAL 72 HA VAL 72 7.581 -8.348 -4.529 557 HB VAL 72 HB VAL 72 5.638 -9.602 -4.974 558 1HG1 VAL 72 1HG1 VAL 72 4.787 -10.114 -2.830 559 2HG1 VAL 72 2HG1 VAL 72 6.486 -9.670 -2.655 560 3HG1 VAL 72 3HG1 VAL 72 5.214 -8.501 -2.212 561 1HG2 VAL 72 1HG2 VAL 72 3.953 -7.240 -4.048 562 2HG2 VAL 72 2HG2 VAL 72 4.011 -7.925 -5.691 563 3HG2 VAL 72 3HG2 VAL 72 3.341 -8.865 -4.362 564 H LYS 73 H LYS 73 6.102 -8.722 -6.945 565 HA LYS 73 HA LYS 73 6.204 -6.153 -8.338 566 1HB LYS 73 2HB LYS 73 8.631 -7.074 -7.921 567 2HB LYS 73 3HB LYS 73 8.185 -8.322 -9.073 568 1HG LYS 73 2HG LYS 73 9.294 -6.772 -10.347 569 2HG LYS 73 3HG LYS 73 7.625 -6.359 -10.701 570 1HD LYS 73 2HD LYS 73 9.414 -4.935 -8.623 571 2HD LYS 73 3HD LYS 73 9.270 -4.471 -10.310 572 1HE LYS 73 2HE LYS 73 7.736 -3.018 -9.610 573 2HE LYS 73 3HE LYS 73 6.640 -4.387 -9.728 574 1HZ LYS 73 1HZ LYS 73 7.012 -4.681 -7.270 575 2HZ LYS 73 2HZ LYS 73 7.971 -3.358 -7.294 576 3HZ LYS 73 3HZ LYS 73 6.388 -3.201 -7.714 577 H ILE 74 H ILE 74 4.027 -7.079 -8.252 578 HA ILE 74 HA ILE 74 2.218 -7.724 -9.372 579 HB ILE 74 HB ILE 74 3.933 -8.403 -11.788 580 1HG1 ILE 74 2HG1 ILE 74 2.841 -6.323 -12.692 581 2HG1 ILE 74 3HG1 ILE 74 2.225 -5.953 -11.080 582 1HG2 ILE 74 1HG2 ILE 74 0.918 -8.140 -11.402 583 2HG2 ILE 74 2HG2 ILE 74 1.729 -8.228 -12.976 584 3HG2 ILE 74 3HG2 ILE 74 1.781 -9.604 -11.901 585 1HD1 ILE 74 1HD1 ILE 74 4.287 -4.712 -11.906 586 2HD1 ILE 74 2HD1 ILE 74 4.447 -5.431 -10.308 587 3HD1 ILE 74 3HD1 ILE 74 5.193 -6.224 -11.729 588 H GLU 75 H GLU 75 2.886 -9.030 -7.424 589 HA GLU 75 HA GLU 75 1.842 -11.705 -8.097 590 1HB GLU 75 2HB GLU 75 3.600 -10.885 -5.713 591 2HB GLU 75 3HB GLU 75 2.653 -12.369 -5.833 592 1HG GLU 75 2HG GLU 75 4.808 -13.058 -6.423 593 2HG GLU 75 3HG GLU 75 3.982 -12.904 -7.975 Start of MODEL 17 1 1H MET 1 H1 MET 1 4.229 7.836 -19.337 2 2H MET 1 H2 MET 1 2.690 8.480 -19.261 3 3H MET 1 H3 MET 1 3.242 7.537 -18.049 4 HA MET 1 HA MET 1 1.850 6.153 -19.228 5 1HB MET 1 2HB MET 1 3.342 7.129 -21.694 6 2HB MET 1 3HB MET 1 2.271 5.720 -21.656 7 1HG MET 1 2HG MET 1 0.400 7.155 -20.875 8 2HG MET 1 3HG MET 1 1.443 8.580 -21.032 9 1HE MET 1 1HE MET 1 -0.397 9.749 -22.501 10 2HE MET 1 2HE MET 1 -1.116 9.001 -23.947 11 3HE MET 1 3HE MET 1 -1.431 8.305 -22.341 12 H GLY 2 H GLY 2 2.658 4.362 -18.294 13 1HA GLY 2 2HA GLY 2 3.990 2.313 -18.353 14 2HA GLY 2 1HA GLY 2 5.301 3.190 -19.165 15 H ASP 3 H ASP 3 3.149 3.908 -16.470 16 HA ASP 3 HA ASP 3 5.145 5.504 -15.184 17 1HB ASP 3 2HB ASP 3 2.253 5.046 -14.367 18 2HB ASP 3 3HB ASP 3 3.226 6.511 -14.183 19 H GLY 4 H GLY 4 5.036 5.599 -12.595 20 1HA GLY 4 2HA GLY 4 6.053 3.240 -11.565 21 2HA GLY 4 1HA GLY 4 5.335 4.550 -10.629 22 H VAL 5 H VAL 5 5.275 1.544 -10.350 23 HA VAL 5 HA VAL 5 2.581 1.428 -9.381 24 HB VAL 5 HB VAL 5 2.145 0.646 -11.648 25 1HG1 VAL 5 1HG1 VAL 5 3.193 -1.346 -12.605 26 2HG1 VAL 5 2HG1 VAL 5 4.404 -0.087 -12.325 27 3HG1 VAL 5 3HG1 VAL 5 4.288 -1.474 -11.220 28 1HG2 VAL 5 1HG2 VAL 5 1.187 -1.544 -11.159 29 2HG2 VAL 5 2HG2 VAL 5 2.238 -1.754 -9.761 30 3HG2 VAL 5 3HG2 VAL 5 0.995 -0.486 -9.738 31 H LEU 6 H LEU 6 2.489 -0.059 -7.666 32 HA LEU 6 HA LEU 6 4.855 -1.743 -7.064 33 1HB LEU 6 2HB LEU 6 5.284 0.328 -5.898 34 2HB LEU 6 3HB LEU 6 3.590 0.508 -5.445 35 HG LEU 6 HG LEU 6 3.794 -1.417 -3.879 36 1HD1 LEU 6 1HD1 LEU 6 6.753 -1.277 -4.634 37 2HD1 LEU 6 2HD1 LEU 6 6.060 -2.225 -3.301 38 3HD1 LEU 6 3HD1 LEU 6 5.658 -2.636 -4.975 39 1HD2 LEU 6 1HD2 LEU 6 5.192 -0.193 -2.229 40 2HD2 LEU 6 2HD2 LEU 6 5.819 0.835 -3.533 41 3HD2 LEU 6 3HD2 LEU 6 4.098 0.894 -3.103 42 H GLU 7 H GLU 7 4.123 -3.726 -6.231 43 HA GLU 7 HA GLU 7 1.463 -3.668 -4.957 44 1HB GLU 7 2HB GLU 7 2.625 -6.171 -6.201 45 2HB GLU 7 3HB GLU 7 1.140 -6.008 -5.242 46 1HG GLU 7 2HG GLU 7 0.518 -4.167 -7.049 47 2HG GLU 7 3HG GLU 7 1.842 -4.970 -7.893 48 H LEU 8 H LEU 8 1.412 -4.492 -2.964 49 HA LEU 8 HA LEU 8 3.718 -6.021 -2.019 50 1HB LEU 8 2HB LEU 8 3.622 -4.801 0.209 51 2HB LEU 8 3HB LEU 8 4.274 -3.880 -1.141 52 HG LEU 8 HG LEU 8 1.892 -2.845 -1.387 53 1HD1 LEU 8 1HD1 LEU 8 0.761 -2.647 0.845 54 2HD1 LEU 8 2HD1 LEU 8 0.685 -4.293 0.248 55 3HD1 LEU 8 3HD1 LEU 8 1.861 -3.873 1.497 56 1HD2 LEU 8 1HD2 LEU 8 2.514 -1.068 0.045 57 2HD2 LEU 8 2HD2 LEU 8 3.555 -2.124 1.021 58 3HD2 LEU 8 3HD2 LEU 8 3.997 -1.706 -0.655 59 H VAL 9 H VAL 9 3.209 -7.630 -0.644 60 HA VAL 9 HA VAL 9 0.357 -8.219 -0.152 61 HB VAL 9 HB VAL 9 2.946 -9.664 0.453 62 1HG1 VAL 9 1HG1 VAL 9 1.522 -10.044 2.408 63 2HG1 VAL 9 2HG1 VAL 9 0.122 -10.379 1.364 64 3HG1 VAL 9 3HG1 VAL 9 1.508 -11.487 1.390 65 1HG2 VAL 9 1HG2 VAL 9 0.455 -10.452 -1.136 66 2HG2 VAL 9 2HG2 VAL 9 1.927 -9.793 -1.863 67 3HG2 VAL 9 3HG2 VAL 9 1.978 -11.358 -1.029 68 H VAL 10 H VAL 10 -0.610 -7.649 1.738 69 HA VAL 10 HA VAL 10 0.997 -6.370 3.915 70 HB VAL 10 HB VAL 10 -2.008 -6.374 3.574 71 1HG1 VAL 10 1HG1 VAL 10 -0.155 -4.730 5.339 72 2HG1 VAL 10 2HG1 VAL 10 -1.895 -4.446 5.160 73 3HG1 VAL 10 3HG1 VAL 10 -1.334 -5.950 5.876 74 1HG2 VAL 10 1HG2 VAL 10 -0.048 -4.188 2.803 75 2HG2 VAL 10 2HG2 VAL 10 -1.088 -5.099 1.677 76 3HG2 VAL 10 3HG2 VAL 10 -1.807 -3.996 2.851 77 H ARG 11 H ARG 11 0.571 -7.304 6.076 78 HA ARG 11 HA ARG 11 -1.353 -9.524 6.125 79 1HB ARG 11 2HB ARG 11 0.142 -10.972 7.478 80 2HB ARG 11 3HB ARG 11 0.590 -10.802 5.775 81 1HG ARG 11 2HG ARG 11 2.287 -9.057 6.458 82 2HG ARG 11 3HG ARG 11 1.901 -9.452 8.152 83 1HD ARG 11 2HD ARG 11 2.642 -11.741 7.834 84 2HD ARG 11 3HD ARG 11 2.891 -11.508 6.106 85 HE ARG 11 HE ARG 11 4.549 -10.619 8.368 86 1HH1 ARG 11 2HH2 ARG 11 3.900 -10.101 4.934 87 2HH1 ARG 11 1HH2 ARG 11 5.439 -9.355 4.575 88 1HH2 ARG 11 2HH1 ARG 11 6.551 -9.550 7.952 89 2HH2 ARG 11 1HH1 ARG 11 7.010 -9.117 6.326 90 H GLY 12 H GLY 12 -2.579 -9.468 7.834 91 1HA GLY 12 2HA GLY 12 -3.026 -8.927 10.150 92 2HA GLY 12 1HA GLY 12 -2.072 -7.457 9.995 93 H MET 13 H MET 13 -4.011 -8.092 7.149 94 HA MET 13 HA MET 13 -5.896 -5.991 7.723 95 1HB MET 13 2HB MET 13 -6.153 -8.292 5.755 96 2HB MET 13 3HB MET 13 -7.168 -6.847 5.837 97 1HG MET 13 2HG MET 13 -5.035 -5.479 5.405 98 2HG MET 13 3HG MET 13 -4.267 -7.025 5.020 99 1HE MET 13 1HE MET 13 -3.792 -7.000 2.498 100 2HE MET 13 2HE MET 13 -4.721 -6.024 1.347 101 3HE MET 13 3HE MET 13 -3.927 -5.234 2.738 102 H THR 14 H THR 14 -8.153 -6.235 8.380 103 HA THR 14 HA THR 14 -9.174 -8.897 8.923 104 HB THR 14 HB THR 14 -7.898 -8.683 10.910 105 HG1 THR 14 1HG THR 14 -9.874 -9.611 11.198 106 1HG2 THR 14 1HG2 THR 14 -9.261 -6.030 11.507 107 2HG2 THR 14 2HG2 THR 14 -8.227 -6.962 12.598 108 3HG2 THR 14 3HG2 THR 14 -7.546 -6.288 11.113 109 H CYS 15 H CYS 15 -10.563 -8.290 7.314 110 HA CYS 15 HA CYS 15 -12.716 -8.016 6.727 111 1HB CYS 15 2HB CYS 15 -13.099 -8.664 9.119 112 2HB CYS 15 3HB CYS 15 -13.312 -6.958 9.522 113 HG CYS 15 HG CYS 15 -15.660 -7.964 9.265 114 H ALA 16 H ALA 16 -12.355 -6.395 5.163 115 HA ALA 16 HA ALA 16 -12.198 -4.316 4.251 116 1HB ALA 16 1HB ALA 16 -14.631 -4.431 4.586 117 2HB ALA 16 2HB ALA 16 -14.474 -3.696 6.190 118 3HB ALA 16 3HB ALA 16 -14.045 -2.769 4.729 119 H SER 17 H SER 17 -13.061 -2.062 6.483 120 HA SER 17 HA SER 17 -12.019 -0.620 7.872 121 1HB SER 17 2HB SER 17 -11.365 -1.655 9.930 122 2HB SER 17 3HB SER 17 -12.799 -2.444 9.242 123 HG SER 17 HG SER 17 -11.441 -4.124 8.512 124 H CYS 18 H CYS 18 -9.531 -3.086 8.175 125 HA CYS 18 HA CYS 18 -7.244 -1.387 8.082 126 1HB CYS 18 2HB CYS 18 -7.584 -4.285 7.143 127 2HB CYS 18 3HB CYS 18 -6.027 -3.465 7.347 128 HG CYS 18 HG CYS 18 -6.168 -4.907 9.415 129 H VAL 19 H VAL 19 -9.092 -2.972 5.520 130 HA VAL 19 HA VAL 19 -7.615 -2.333 3.298 131 HB VAL 19 HB VAL 19 -10.611 -2.531 3.700 132 1HG1 VAL 19 1HG1 VAL 19 -9.113 -2.309 1.068 133 2HG1 VAL 19 2HG1 VAL 19 -10.778 -2.906 1.245 134 3HG1 VAL 19 3HG1 VAL 19 -10.399 -1.239 1.669 135 1HG2 VAL 19 1HG2 VAL 19 -9.237 -4.591 4.097 136 2HG2 VAL 19 2HG2 VAL 19 -10.278 -4.751 2.675 137 3HG2 VAL 19 3HG2 VAL 19 -8.547 -4.416 2.475 138 H HIS 20 H HIS 20 -10.537 -0.384 4.135 139 HA HIS 20 HA HIS 20 -9.661 1.695 2.452 140 1HB HIS 20 2HB HIS 20 -11.554 2.888 2.927 141 2HB HIS 20 3HB HIS 20 -12.024 1.184 3.020 142 HD1 HIS 20 1HD HIS 20 -13.011 4.123 4.707 143 HD2 HIS 20 2HD HIS 20 -11.523 0.399 5.876 144 HE1 HIS 20 1HE HIS 20 -13.783 3.757 7.127 145 H LYS 21 H LYS 21 -9.146 1.177 5.911 146 HA LYS 21 HA LYS 21 -8.162 3.706 6.682 147 1HB LYS 21 2HB LYS 21 -8.536 1.868 8.234 148 2HB LYS 21 3HB LYS 21 -7.309 0.889 7.416 149 1HG LYS 21 2HG LYS 21 -5.594 2.529 8.078 150 2HG LYS 21 3HG LYS 21 -6.808 3.405 9.039 151 1HD LYS 21 2HD LYS 21 -7.222 1.303 10.353 152 2HD LYS 21 3HD LYS 21 -6.025 0.465 9.349 153 1HE LYS 21 2HE LYS 21 -4.322 2.214 10.136 154 2HE LYS 21 3HE LYS 21 -5.505 2.738 11.332 155 1HZ LYS 21 1HZ LYS 21 -3.807 1.072 12.069 156 2HZ LYS 21 2HZ LYS 21 -5.368 0.610 12.362 157 3HZ LYS 21 3HZ LYS 21 -4.504 -0.037 11.117 158 H ILE 22 H ILE 22 -6.374 0.911 5.186 159 HA ILE 22 HA ILE 22 -3.917 2.329 4.860 160 HB ILE 22 HB ILE 22 -5.060 -0.045 3.340 161 1HG1 ILE 22 2HG1 ILE 22 -2.798 -0.035 5.375 162 2HG1 ILE 22 3HG1 ILE 22 -4.480 -0.204 5.870 163 1HG2 ILE 22 1HG2 ILE 22 -2.678 -0.404 2.593 164 2HG2 ILE 22 2HG2 ILE 22 -3.360 1.080 1.942 165 3HG2 ILE 22 3HG2 ILE 22 -2.260 1.156 3.328 166 1HD1 ILE 22 1HD1 ILE 22 -3.060 -2.100 3.962 167 2HD1 ILE 22 2HD1 ILE 22 -3.475 -2.413 5.648 168 3HD1 ILE 22 3HD1 ILE 22 -4.764 -2.195 4.465 169 H GLU 23 H GLU 23 -6.510 1.621 2.443 170 HA GLU 23 HA GLU 23 -5.379 2.927 0.280 171 1HB GLU 23 2HB GLU 23 -8.310 2.662 1.065 172 2HB GLU 23 3HB GLU 23 -7.789 3.182 -0.533 173 1HG GLU 23 2HG GLU 23 -6.658 1.137 -0.976 174 2HG GLU 23 3HG GLU 23 -6.881 0.548 0.688 175 H SER 24 H SER 24 -7.713 4.325 2.561 176 HA SER 24 HA SER 24 -7.768 6.974 1.601 177 1HB SER 24 2HB SER 24 -9.393 6.041 3.185 178 2HB SER 24 3HB SER 24 -8.154 5.921 4.446 179 HG SER 24 HG SER 24 -9.482 7.845 4.538 180 H SER 25 H SER 25 -5.817 5.599 4.343 181 HA SER 25 HA SER 25 -4.496 7.965 5.000 182 1HB SER 25 2HB SER 25 -4.492 5.851 6.331 183 2HB SER 25 3HB SER 25 -3.312 5.172 5.188 184 HG SER 25 HG SER 25 -2.323 6.182 7.018 185 H LEU 26 H LEU 26 -3.431 5.410 2.689 186 HA LEU 26 HA LEU 26 -0.939 6.670 2.118 187 1HB LEU 26 2HB LEU 26 -2.583 4.731 0.469 188 2HB LEU 26 3HB LEU 26 -0.906 5.198 0.134 189 HG LEU 26 HG LEU 26 -1.817 3.779 2.680 190 1HD1 LEU 26 1HD1 LEU 26 -0.745 1.848 1.619 191 2HD1 LEU 26 2HD1 LEU 26 -2.022 2.495 0.567 192 3HD1 LEU 26 3HD1 LEU 26 -0.318 2.856 0.215 193 1HD2 LEU 26 1HD2 LEU 26 0.650 3.412 2.969 194 2HD2 LEU 26 2HD2 LEU 26 0.946 4.578 1.663 195 3HD2 LEU 26 3HD2 LEU 26 0.169 5.094 3.177 196 H THR 27 H THR 27 -4.085 6.813 0.261 197 HA THR 27 HA THR 27 -2.783 8.258 -1.821 198 HB THR 27 HB THR 27 -4.886 7.007 -2.068 199 HG1 THR 27 1HG THR 27 -4.042 8.449 -3.623 200 1HG2 THR 27 1HG2 THR 27 -6.187 7.941 -0.186 201 2HG2 THR 27 2HG2 THR 27 -6.192 9.536 -0.977 202 3HG2 THR 27 3HG2 THR 27 -7.009 8.157 -1.740 203 H LYS 28 H LYS 28 -3.914 9.381 1.278 204 HA LYS 28 HA LYS 28 -4.045 12.150 0.780 205 1HB LYS 28 2HB LYS 28 -2.828 10.991 3.297 206 2HB LYS 28 3HB LYS 28 -3.689 12.514 3.064 207 1HG LYS 28 2HG LYS 28 -5.555 10.546 2.258 208 2HG LYS 28 3HG LYS 28 -4.700 9.810 3.604 209 1HD LYS 28 2HD LYS 28 -6.015 12.546 3.714 210 2HD LYS 28 3HD LYS 28 -6.748 11.031 4.277 211 1HE LYS 28 2HE LYS 28 -4.881 10.695 5.888 212 2HE LYS 28 3HE LYS 28 -4.125 12.203 5.354 213 1HZ LYS 28 1HZ LYS 28 -6.055 13.386 6.140 214 2HZ LYS 28 2HZ LYS 28 -6.762 11.986 6.643 215 3HZ LYS 28 3HZ LYS 28 -5.374 12.511 7.352 216 H HIS 29 H HIS 29 -1.180 10.069 0.794 217 HA HIS 29 HA HIS 29 0.855 12.007 1.275 218 1HB HIS 29 2HB HIS 29 0.736 9.602 -0.581 219 2HB HIS 29 3HB HIS 29 2.182 10.580 -0.369 220 HD1 HIS 29 1HD HIS 29 3.822 9.084 0.838 221 HD2 HIS 29 2HD HIS 29 -0.092 8.842 2.345 222 HE1 HIS 29 1HE HIS 29 3.848 7.349 2.705 223 H ARG 30 H ARG 30 -1.307 11.532 -1.482 224 HA ARG 30 HA ARG 30 -1.482 12.353 -3.529 225 1HB ARG 30 2HB ARG 30 -1.410 14.530 -3.499 226 2HB ARG 30 3HB ARG 30 -0.287 14.601 -2.167 227 1HG ARG 30 2HG ARG 30 0.468 14.438 -5.114 228 2HG ARG 30 3HG ARG 30 0.399 15.890 -4.143 229 1HD ARG 30 2HD ARG 30 2.283 15.291 -2.797 230 2HD ARG 30 3HD ARG 30 2.228 13.626 -3.275 231 HE ARG 30 HE ARG 30 3.297 13.965 -5.222 232 1HH1 ARG 30 2HH2 ARG 30 2.433 17.089 -3.872 233 2HH1 ARG 30 1HH2 ARG 30 3.487 18.024 -4.892 234 1HH2 ARG 30 2HH1 ARG 30 4.701 15.152 -6.625 235 2HH2 ARG 30 1HH1 ARG 30 4.801 16.875 -6.518 236 H GLY 31 H GLY 31 1.223 10.865 -2.346 237 1HA GLY 31 2HA GLY 31 2.773 10.674 -4.807 238 2HA GLY 31 1HA GLY 31 2.985 9.797 -3.290 239 H ILE 32 H ILE 32 0.298 8.892 -3.021 240 HA ILE 32 HA ILE 32 0.436 6.527 -4.786 241 HB ILE 32 HB ILE 32 -0.978 7.091 -2.147 242 1HG1 ILE 32 2HG1 ILE 32 0.601 5.004 -1.642 243 2HG1 ILE 32 3HG1 ILE 32 1.513 5.639 -3.005 244 1HG2 ILE 32 1HG2 ILE 32 -2.444 5.651 -3.382 245 2HG2 ILE 32 2HG2 ILE 32 -1.083 4.716 -4.021 246 3HG2 ILE 32 3HG2 ILE 32 -1.520 4.613 -2.294 247 1HD1 ILE 32 1HD1 ILE 32 0.772 7.103 -0.425 248 2HD1 ILE 32 2HD1 ILE 32 2.374 6.534 -0.853 249 3HD1 ILE 32 3HD1 ILE 32 1.688 7.855 -1.747 250 H LEU 33 H LEU 33 -0.453 7.043 -6.669 251 HA LEU 33 HA LEU 33 -2.674 8.951 -6.854 252 1HB LEU 33 2HB LEU 33 -1.402 7.245 -9.033 253 2HB LEU 33 3HB LEU 33 -2.351 8.722 -9.239 254 HG LEU 33 HG LEU 33 0.436 8.504 -7.996 255 1HD1 LEU 33 1HD1 LEU 33 0.380 8.233 -10.440 256 2HD1 LEU 33 2HD1 LEU 33 -0.514 9.762 -10.597 257 3HD1 LEU 33 3HD1 LEU 33 1.150 9.760 -9.973 258 1HD2 LEU 33 1HD2 LEU 33 0.394 10.997 -7.989 259 2HD2 LEU 33 2HD2 LEU 33 -1.323 10.960 -8.443 260 3HD2 LEU 33 3HD2 LEU 33 -0.791 10.316 -6.873 261 H TYR 34 H TYR 34 -2.330 5.447 -6.652 262 HA TYR 34 HA TYR 34 -5.128 5.423 -6.269 263 1HB TYR 34 2HB TYR 34 -5.073 5.254 -8.804 264 2HB TYR 34 3HB TYR 34 -4.156 3.757 -8.639 265 HD1 TYR 34 HD1 TYR 34 -7.281 5.348 -7.291 266 HD2 TYR 34 HD2 TYR 34 -5.326 1.742 -8.616 267 HE1 TYR 34 HE1 TYR 34 -9.077 4.009 -6.288 268 HE2 TYR 34 HE2 TYR 34 -7.217 0.419 -7.814 269 HH TYR 34 HH TYR 34 -8.917 0.470 -6.156 270 H CYS 35 H CYS 35 -5.842 3.446 -5.362 271 HA CYS 35 HA CYS 35 -3.828 1.589 -4.227 272 1HB CYS 35 2HB CYS 35 -4.609 2.165 -1.967 273 2HB CYS 35 3HB CYS 35 -3.645 3.419 -2.761 274 HG CYS 35 HG CYS 35 -5.381 4.645 -1.390 275 H SER 36 H SER 36 -4.742 -0.303 -4.729 276 HA SER 36 HA SER 36 -7.576 -0.745 -3.850 277 1HB SER 36 2HB SER 36 -6.184 -1.869 -6.285 278 2HB SER 36 3HB SER 36 -7.374 -2.831 -5.392 279 HG SER 36 HG SER 36 -8.450 -1.700 -6.966 280 H VAL 37 H VAL 37 -7.227 -1.498 -1.841 281 HA VAL 37 HA VAL 37 -5.031 -3.445 -1.338 282 HB VAL 37 HB VAL 37 -6.740 -1.841 0.618 283 1HG1 VAL 37 1HG1 VAL 37 -4.245 -3.545 0.939 284 2HG1 VAL 37 2HG1 VAL 37 -4.953 -2.503 2.192 285 3HG1 VAL 37 3HG1 VAL 37 -5.870 -3.902 1.603 286 1HG2 VAL 37 1HG2 VAL 37 -4.761 -0.471 0.919 287 2HG2 VAL 37 2HG2 VAL 37 -3.825 -1.465 -0.203 288 3HG2 VAL 37 3HG2 VAL 37 -5.122 -0.441 -0.808 289 H ALA 38 H ALA 38 -5.879 -5.132 -2.478 290 HA ALA 38 HA ALA 38 -8.686 -5.904 -2.058 291 1HB ALA 38 1HB ALA 38 -6.473 -6.960 -3.842 292 2HB ALA 38 2HB ALA 38 -8.144 -7.590 -3.793 293 3HB ALA 38 3HB ALA 38 -7.830 -5.921 -4.308 294 H LEU 39 H LEU 39 -8.505 -6.353 0.146 295 HA LEU 39 HA LEU 39 -7.105 -8.110 1.623 296 1HB LEU 39 2HB LEU 39 -9.104 -6.865 2.283 297 2HB LEU 39 3HB LEU 39 -10.152 -8.025 1.470 298 HG LEU 39 HG LEU 39 -8.211 -8.955 3.617 299 1HD1 LEU 39 1HD1 LEU 39 -9.350 -7.014 4.599 300 2HD1 LEU 39 2HD1 LEU 39 -10.927 -7.682 4.121 301 3HD1 LEU 39 3HD1 LEU 39 -9.926 -8.520 5.328 302 1HD2 LEU 39 1HD2 LEU 39 -11.027 -9.858 2.820 303 2HD2 LEU 39 2HD2 LEU 39 -9.532 -10.721 2.421 304 3HD2 LEU 39 3HD2 LEU 39 -10.038 -10.579 4.101 305 H ALA 40 H ALA 40 -9.272 -9.095 -0.975 306 HA ALA 40 HA ALA 40 -9.504 -11.863 -0.449 307 1HB ALA 40 1HB ALA 40 -10.044 -12.035 -2.853 308 2HB ALA 40 2HB ALA 40 -10.860 -10.643 -2.113 309 3HB ALA 40 3HB ALA 40 -9.414 -10.395 -3.123 310 H THR 41 H THR 41 -6.916 -10.000 -1.956 311 HA THR 41 HA THR 41 -5.243 -12.452 -2.348 312 HB THR 41 HB THR 41 -5.766 -11.510 -4.463 313 HG1 THR 41 1HG THR 41 -3.208 -10.943 -3.486 314 1HG2 THR 41 1HG2 THR 41 -5.417 -9.245 -5.146 315 2HG2 THR 41 2HG2 THR 41 -6.630 -9.357 -3.897 316 3HG2 THR 41 3HG2 THR 41 -5.000 -8.773 -3.474 317 H ASN 42 H ASN 42 -5.845 -10.388 -0.066 318 HA ASN 42 HA ASN 42 -4.892 -8.799 1.168 319 1HB ASN 42 2HB ASN 42 -4.034 -11.448 1.774 320 2HB ASN 42 3HB ASN 42 -2.661 -10.419 2.132 321 1HD2 ASN 42 1HD2 ASN 42 -6.264 -10.500 2.544 322 2HD2 ASN 42 2HD2 ASN 42 -6.215 -9.865 4.185 323 H LYS 43 H LYS 43 -4.221 -8.054 -1.289 324 HA LYS 43 HA LYS 43 -1.413 -7.121 -1.011 325 1HB LYS 43 2HB LYS 43 -1.046 -8.515 -2.727 326 2HB LYS 43 3HB LYS 43 -2.709 -8.540 -3.268 327 1HG LYS 43 2HG LYS 43 -0.968 -6.099 -3.798 328 2HG LYS 43 3HG LYS 43 -0.871 -7.516 -4.798 329 1HD LYS 43 2HD LYS 43 -3.609 -6.293 -4.255 330 2HD LYS 43 3HD LYS 43 -2.521 -5.585 -5.458 331 1HE LYS 43 2HE LYS 43 -3.366 -8.486 -5.397 332 2HE LYS 43 3HE LYS 43 -4.241 -7.247 -6.308 333 1HZ LYS 43 1HZ LYS 43 -2.684 -8.444 -7.719 334 2HZ LYS 43 2HZ LYS 43 -2.228 -6.860 -7.611 335 3HZ LYS 43 3HZ LYS 43 -1.394 -7.938 -6.825 336 H ALA 44 H ALA 44 -0.923 -5.107 -1.790 337 HA ALA 44 HA ALA 44 -3.203 -3.205 -2.201 338 1HB ALA 44 1HB ALA 44 -1.854 -2.774 -0.104 339 2HB ALA 44 2HB ALA 44 -0.430 -2.603 -1.151 340 3HB ALA 44 3HB ALA 44 -1.786 -1.483 -1.328 341 H HIS 45 H HIS 45 -3.383 -2.993 -4.332 342 HA HIS 45 HA HIS 45 -0.961 -2.814 -6.086 343 1HB HIS 45 2HB HIS 45 -3.112 -3.969 -6.865 344 2HB HIS 45 3HB HIS 45 -3.902 -2.393 -6.731 345 HD1 HIS 45 1HD HIS 45 -1.628 -4.391 -8.946 346 HD2 HIS 45 2HD HIS 45 -2.546 -0.389 -8.165 347 HE1 HIS 45 1HE HIS 45 -0.838 -3.096 -10.984 348 H ILE 46 H ILE 46 0.084 -1.022 -5.887 349 HA ILE 46 HA ILE 46 -1.340 1.472 -5.127 350 HB ILE 46 HB ILE 46 1.478 0.617 -4.399 351 1HG1 ILE 46 2HG1 ILE 46 -1.180 0.491 -2.901 352 2HG1 ILE 46 3HG1 ILE 46 -0.025 -0.824 -3.213 353 1HG2 ILE 46 1HG2 ILE 46 1.514 2.625 -3.092 354 2HG2 ILE 46 2HG2 ILE 46 0.842 3.141 -4.638 355 3HG2 ILE 46 3HG2 ILE 46 -0.238 2.840 -3.266 356 1HD1 ILE 46 1HD1 ILE 46 0.403 1.560 -1.421 357 2HD1 ILE 46 2HD1 ILE 46 0.182 -0.127 -0.923 358 3HD1 ILE 46 3HD1 ILE 46 1.648 0.343 -1.828 359 H LYS 47 H LYS 47 -1.455 2.652 -6.867 360 HA LYS 47 HA LYS 47 0.661 2.707 -8.951 361 1HB LYS 47 2HB LYS 47 -2.046 3.873 -8.495 362 2HB LYS 47 3HB LYS 47 -1.010 4.568 -9.756 363 1HG LYS 47 2HG LYS 47 -1.578 1.578 -9.621 364 2HG LYS 47 3HG LYS 47 -2.725 2.695 -10.379 365 1HD LYS 47 2HD LYS 47 -0.994 3.579 -11.877 366 2HD LYS 47 3HD LYS 47 0.220 2.495 -11.212 367 1HE LYS 47 2HE LYS 47 -2.377 1.584 -12.573 368 2HE LYS 47 3HE LYS 47 -0.831 1.790 -13.408 369 1HZ LYS 47 1HZ LYS 47 -1.293 -0.138 -11.198 370 2HZ LYS 47 2HZ LYS 47 -1.154 -0.471 -12.796 371 3HZ LYS 47 3HZ LYS 47 0.126 0.145 -11.976 372 H TYR 48 H TYR 48 2.149 3.147 -7.183 373 HA TYR 48 HA TYR 48 2.260 5.929 -6.178 374 1HB TYR 48 2HB TYR 48 3.910 5.281 -4.811 375 2HB TYR 48 3HB TYR 48 3.057 3.757 -4.911 376 HD1 TYR 48 HD1 TYR 48 6.082 4.639 -4.224 377 HD2 TYR 48 HD2 TYR 48 4.196 2.745 -7.611 378 HE1 TYR 48 HE1 TYR 48 8.268 3.840 -4.998 379 HE2 TYR 48 HE2 TYR 48 6.415 1.964 -8.376 380 HH TYR 48 HH TYR 48 8.655 1.718 -7.843 381 H ASP 49 H ASP 49 4.613 6.986 -6.643 382 HA ASP 49 HA ASP 49 5.852 5.796 -8.930 383 1HB ASP 49 2HB ASP 49 4.206 7.481 -9.931 384 2HB ASP 49 3HB ASP 49 5.226 8.752 -9.245 385 HA PRO 50 HA PRO 50 9.123 6.391 -6.196 386 1HB PRO 50 2HB PRO 50 11.335 6.486 -7.905 387 2HB PRO 50 3HB PRO 50 10.507 5.027 -7.289 388 1HG PRO 50 2HG PRO 50 10.049 6.448 -9.921 389 2HG PRO 50 3HG PRO 50 10.229 4.687 -9.629 390 1HD PRO 50 2HD PRO 50 7.815 5.711 -9.936 391 2HD PRO 50 3HD PRO 50 8.069 4.584 -8.594 392 H GLU 51 H GLU 51 8.950 8.777 -8.918 393 HA GLU 51 HA GLU 51 10.867 10.527 -7.687 394 1HB GLU 51 2HB GLU 51 9.987 12.250 -9.196 395 2HB GLU 51 3HB GLU 51 10.490 10.782 -10.031 396 1HG GLU 51 2HG GLU 51 8.329 10.206 -10.635 397 2HG GLU 51 3HG GLU 51 7.577 11.049 -9.283 398 H ILE 52 H ILE 52 7.505 9.906 -6.826 399 HA ILE 52 HA ILE 52 7.444 12.493 -5.322 400 HB ILE 52 HB ILE 52 4.974 12.248 -5.416 401 1HG1 ILE 52 2HG1 ILE 52 5.576 10.185 -7.572 402 2HG1 ILE 52 3HG1 ILE 52 4.771 9.875 -6.024 403 1HG2 ILE 52 1HG2 ILE 52 4.819 13.302 -7.609 404 2HG2 ILE 52 2HG2 ILE 52 6.337 13.794 -6.843 405 3HG2 ILE 52 3HG2 ILE 52 6.347 12.565 -8.113 406 1HD1 ILE 52 1HD1 ILE 52 2.974 11.561 -6.850 407 2HD1 ILE 52 2HD1 ILE 52 3.763 11.433 -8.434 408 3HD1 ILE 52 3HD1 ILE 52 3.066 9.994 -7.682 409 H ILE 53 H ILE 53 7.365 8.961 -5.099 410 HA ILE 53 HA ILE 53 7.624 9.237 -2.224 411 HB ILE 53 HB ILE 53 5.124 9.408 -2.926 412 1HG1 ILE 53 2HG1 ILE 53 5.706 9.231 -0.643 413 2HG1 ILE 53 3HG1 ILE 53 4.274 8.310 -1.124 414 1HG2 ILE 53 1HG2 ILE 53 3.870 7.407 -3.271 415 2HG2 ILE 53 2HG2 ILE 53 5.093 7.563 -4.543 416 3HG2 ILE 53 3HG2 ILE 53 5.335 6.423 -3.202 417 1HD1 ILE 53 1HD1 ILE 53 7.050 7.295 -0.445 418 2HD1 ILE 53 2HD1 ILE 53 5.590 7.047 0.511 419 3HD1 ILE 53 3HD1 ILE 53 5.786 6.243 -1.067 420 H GLY 54 H GLY 54 8.948 7.469 -1.505 421 1HA GLY 54 2HA GLY 54 9.791 5.600 -3.618 422 2HA GLY 54 1HA GLY 54 10.505 5.841 -2.026 423 HA PRO 55 HA PRO 55 7.496 2.186 -2.234 424 1HB PRO 55 2HB PRO 55 9.215 0.041 -2.101 425 2HB PRO 55 3HB PRO 55 8.732 0.846 -3.618 426 1HG PRO 55 2HG PRO 55 11.287 1.254 -2.056 427 2HG PRO 55 3HG PRO 55 11.076 1.073 -3.815 428 1HD PRO 55 2HD PRO 55 11.335 3.528 -2.590 429 2HD PRO 55 3HD PRO 55 10.352 3.287 -4.061 430 H ARG 56 H ARG 56 10.575 2.063 -0.317 431 HA ARG 56 HA ARG 56 9.322 0.645 1.776 432 1HB ARG 56 2HB ARG 56 11.731 0.511 1.369 433 2HB ARG 56 3HB ARG 56 11.909 2.204 1.855 434 1HG ARG 56 2HG ARG 56 12.609 0.768 3.675 435 2HG ARG 56 3HG ARG 56 11.156 1.652 4.116 436 1HD ARG 56 2HD ARG 56 9.840 -0.471 3.518 437 2HD ARG 56 3HD ARG 56 11.402 -1.304 3.415 438 HE ARG 56 HE ARG 56 11.319 0.002 5.918 439 1HH1 ARG 56 2HH2 ARG 56 9.272 -2.500 4.337 440 2HH1 ARG 56 1HH2 ARG 56 8.447 -2.793 5.880 441 1HH2 ARG 56 2HH1 ARG 56 10.332 -0.755 7.866 442 2HH2 ARG 56 1HH1 ARG 56 8.990 -1.913 7.687 443 H ASP 57 H ASP 57 9.494 4.104 1.170 444 HA ASP 57 HA ASP 57 8.657 4.955 3.733 445 1HB ASP 57 2HB ASP 57 7.649 6.833 1.945 446 2HB ASP 57 3HB ASP 57 9.147 6.889 2.844 447 H ILE 58 H ILE 58 6.708 4.143 0.769 448 HA ILE 58 HA ILE 58 4.157 4.387 2.099 449 HB ILE 58 HB ILE 58 5.142 2.813 -0.284 450 1HG1 ILE 58 2HG1 ILE 58 2.644 4.438 -0.238 451 2HG1 ILE 58 3HG1 ILE 58 4.153 5.317 -0.027 452 1HG2 ILE 58 1HG2 ILE 58 2.410 2.482 1.046 453 2HG2 ILE 58 2HG2 ILE 58 2.776 2.005 -0.619 454 3HG2 ILE 58 3HG2 ILE 58 3.585 1.182 0.708 455 1HD1 ILE 58 1HD1 ILE 58 3.530 3.399 -2.322 456 2HD1 ILE 58 2HD1 ILE 58 3.585 5.169 -2.408 457 3HD1 ILE 58 3HD1 ILE 58 5.067 4.250 -2.090 458 H ILE 59 H ILE 59 6.339 1.586 1.678 459 HA ILE 59 HA ILE 59 4.664 -0.226 3.022 460 HB ILE 59 HB ILE 59 7.680 -0.299 2.952 461 1HG1 ILE 59 2HG1 ILE 59 5.714 -1.803 1.168 462 2HG1 ILE 59 3HG1 ILE 59 6.348 -0.244 0.687 463 1HG2 ILE 59 1HG2 ILE 59 6.683 -1.853 4.654 464 2HG2 ILE 59 2HG2 ILE 59 5.657 -2.536 3.384 465 3HG2 ILE 59 3HG2 ILE 59 7.405 -2.746 3.311 466 1HD1 ILE 59 1HD1 ILE 59 7.886 -2.814 1.111 467 2HD1 ILE 59 2HD1 ILE 59 7.698 -1.844 -0.365 468 3HD1 ILE 59 3HD1 ILE 59 8.686 -1.236 0.966 469 H HIS 60 H HIS 60 7.283 1.788 4.513 470 HA HIS 60 HA HIS 60 6.923 1.052 7.202 471 1HB HIS 60 2HB HIS 60 7.694 3.684 5.850 472 2HB HIS 60 3HB HIS 60 7.543 3.553 7.601 473 HD1 HIS 60 1HD HIS 60 10.289 3.755 5.529 474 HD2 HIS 60 2HD HIS 60 8.963 0.955 8.365 475 HE1 HIS 60 1HE HIS 60 12.364 2.492 6.340 476 H THR 61 H THR 61 5.130 3.401 5.178 477 HA THR 61 HA THR 61 3.574 4.421 7.356 478 HB THR 61 HB THR 61 2.716 4.310 4.435 479 HG1 THR 61 1HG THR 61 4.784 5.288 4.698 480 1HG2 THR 61 1HG2 THR 61 1.483 6.357 5.064 481 2HG2 THR 61 2HG2 THR 61 0.928 4.966 6.000 482 3HG2 THR 61 3HG2 THR 61 2.005 6.167 6.746 483 H ILE 62 H ILE 62 2.950 1.763 5.015 484 HA ILE 62 HA ILE 62 0.404 0.986 6.070 485 HB ILE 62 HB ILE 62 2.478 -0.667 4.592 486 1HG1 ILE 62 2HG1 ILE 62 0.030 0.938 3.720 487 2HG1 ILE 62 3HG1 ILE 62 1.718 1.297 3.340 488 1HG2 ILE 62 1HG2 ILE 62 0.613 -2.194 4.079 489 2HG2 ILE 62 2HG2 ILE 62 0.860 -2.114 5.809 490 3HG2 ILE 62 3HG2 ILE 62 -0.486 -1.214 5.068 491 1HD1 ILE 62 1HD1 ILE 62 1.812 -1.004 2.237 492 2HD1 ILE 62 2HD1 ILE 62 0.027 -0.950 2.265 493 3HD1 ILE 62 3HD1 ILE 62 0.941 0.289 1.387 494 H GLU 63 H GLU 63 3.682 -0.368 6.762 495 HA GLU 63 HA GLU 63 2.759 -2.235 8.613 496 1HB GLU 63 2HB GLU 63 5.497 -0.854 8.568 497 2HB GLU 63 3HB GLU 63 5.079 -2.336 9.455 498 1HG GLU 63 2HG GLU 63 4.303 -3.306 7.246 499 2HG GLU 63 3HG GLU 63 5.071 -1.962 6.432 500 H SER 64 H SER 64 4.019 1.028 9.179 501 HA SER 64 HA SER 64 3.612 1.320 11.917 502 1HB SER 64 2HB SER 64 4.822 2.905 10.535 503 2HB SER 64 3HB SER 64 3.359 3.371 9.670 504 HG SER 64 HG SER 64 2.568 4.098 11.782 505 H LEU 65 H LEU 65 1.110 1.938 9.269 506 HA LEU 65 HA LEU 65 -0.864 2.778 11.043 507 1HB LEU 65 2HB LEU 65 -0.912 1.382 8.364 508 2HB LEU 65 3HB LEU 65 -2.412 1.816 9.156 509 HG LEU 65 HG LEU 65 -0.249 3.919 8.859 510 1HD1 LEU 65 1HD1 LEU 65 -1.224 4.510 6.665 511 2HD1 LEU 65 2HD1 LEU 65 -0.478 2.906 6.696 512 3HD1 LEU 65 3HD1 LEU 65 -2.251 3.055 6.734 513 1HD2 LEU 65 1HD2 LEU 65 -2.296 4.344 10.266 514 2HD2 LEU 65 2HD2 LEU 65 -2.117 5.450 8.901 515 3HD2 LEU 65 3HD2 LEU 65 -3.291 4.118 8.810 516 H GLY 66 H GLY 66 -0.218 -0.668 10.062 517 1HA GLY 66 2HA GLY 66 -1.269 -1.430 12.662 518 2HA GLY 66 1HA GLY 66 -2.420 -1.829 11.389 519 H PHE 67 H PHE 67 0.880 -2.305 10.305 520 HA PHE 67 HA PHE 67 0.079 -5.204 10.272 521 1HB PHE 67 2HB PHE 67 0.650 -3.460 7.858 522 2HB PHE 67 3HB PHE 67 0.003 -5.091 7.859 523 HD1 PHE 67 1HD PHE 67 -0.947 -1.775 7.348 524 HD2 PHE 67 2HD PHE 67 -2.169 -5.218 9.616 525 HE1 PHE 67 1HE PHE 67 -3.096 -0.683 7.843 526 HE2 PHE 67 2HE PHE 67 -4.292 -4.121 10.143 527 HZ PHE 67 HZ PHE 67 -4.828 -1.896 9.164 528 H GLU 68 H GLU 68 1.571 -6.464 8.761 529 HA GLU 68 HA GLU 68 4.285 -5.222 8.573 530 1HB GLU 68 2HB GLU 68 3.637 -8.118 8.083 531 2HB GLU 68 3HB GLU 68 5.206 -7.317 7.967 532 1HG GLU 68 2HG GLU 68 5.250 -7.031 10.401 533 2HG GLU 68 3HG GLU 68 3.662 -7.823 10.545 534 H ALA 69 H ALA 69 5.086 -5.306 6.331 535 HA ALA 69 HA ALA 69 3.171 -6.090 4.235 536 1HB ALA 69 1HB ALA 69 4.033 -3.221 4.734 537 2HB ALA 69 2HB ALA 69 3.369 -3.782 3.187 538 3HB ALA 69 3HB ALA 69 2.388 -3.869 4.665 539 H SER 70 H SER 70 4.061 -6.207 2.147 540 HA SER 70 HA SER 70 7.040 -6.342 1.968 541 1HB SER 70 2HB SER 70 5.063 -8.668 1.911 542 2HB SER 70 3HB SER 70 6.772 -8.790 1.508 543 HG SER 70 HG SER 70 6.693 -7.546 3.823 544 H LEU 71 H LEU 71 7.237 -5.156 0.078 545 HA LEU 71 HA LEU 71 5.637 -5.160 -2.261 546 1HB LEU 71 2HB LEU 71 7.441 -4.304 -3.388 547 2HB LEU 71 3HB LEU 71 7.420 -3.596 -1.779 548 HG LEU 71 HG LEU 71 9.359 -5.686 -2.862 549 1HD1 LEU 71 1HD1 LEU 71 10.997 -3.866 -2.598 550 2HD1 LEU 71 2HD1 LEU 71 9.666 -3.345 -3.641 551 3HD1 LEU 71 3HD1 LEU 71 9.735 -2.793 -1.957 552 1HD2 LEU 71 1HD2 LEU 71 9.254 -4.459 -0.066 553 2HD2 LEU 71 2HD2 LEU 71 9.104 -6.189 -0.476 554 3HD2 LEU 71 3HD2 LEU 71 10.630 -5.351 -0.735 555 H VAL 72 H VAL 72 5.304 -6.459 -3.927 556 HA VAL 72 HA VAL 72 6.926 -8.934 -4.219 557 HB VAL 72 HB VAL 72 4.923 -10.214 -4.653 558 1HG1 VAL 72 1HG1 VAL 72 4.413 -8.719 -2.113 559 2HG1 VAL 72 2HG1 VAL 72 4.095 -10.433 -2.455 560 3HG1 VAL 72 3HG1 VAL 72 5.766 -9.864 -2.279 561 1HG2 VAL 72 1HG2 VAL 72 3.401 -8.545 -5.617 562 2HG2 VAL 72 2HG2 VAL 72 2.649 -9.325 -4.227 563 3HG2 VAL 72 3HG2 VAL 72 3.315 -7.692 -4.061 564 H LYS 73 H LYS 73 7.290 -9.537 -6.320 565 HA LYS 73 HA LYS 73 7.685 -9.231 -8.533 566 1HB LYS 73 2HB LYS 73 5.314 -10.123 -8.395 567 2HB LYS 73 3HB LYS 73 4.759 -8.452 -8.559 568 1HG LYS 73 2HG LYS 73 6.510 -8.687 -10.714 569 2HG LYS 73 3HG LYS 73 5.893 -10.319 -10.615 570 1HD LYS 73 2HD LYS 73 4.334 -7.687 -10.850 571 2HD LYS 73 3HD LYS 73 4.555 -8.867 -12.138 572 1HE LYS 73 2HE LYS 73 2.866 -9.159 -9.601 573 2HE LYS 73 3HE LYS 73 2.302 -9.079 -11.269 574 1HZ LYS 73 1HZ LYS 73 3.900 -11.252 -10.092 575 2HZ LYS 73 2HZ LYS 73 2.298 -11.317 -10.457 576 3HZ LYS 73 3HZ LYS 73 3.410 -11.190 -11.666 577 H ILE 74 H ILE 74 8.841 -7.115 -7.436 578 HA ILE 74 HA ILE 74 8.484 -5.069 -9.413 579 HB ILE 74 HB ILE 74 6.871 -4.692 -7.247 580 1HG1 ILE 74 2HG1 ILE 74 7.213 -2.172 -7.605 581 2HG1 ILE 74 3HG1 ILE 74 8.395 -2.632 -8.835 582 1HG2 ILE 74 1HG2 ILE 74 8.713 -4.831 -5.618 583 2HG2 ILE 74 2HG2 ILE 74 9.441 -3.368 -6.328 584 3HG2 ILE 74 3HG2 ILE 74 7.851 -3.287 -5.571 585 1HD1 ILE 74 1HD1 ILE 74 5.429 -3.406 -8.725 586 2HD1 ILE 74 2HD1 ILE 74 6.212 -2.311 -9.882 587 3HD1 ILE 74 3HD1 ILE 74 6.565 -4.032 -9.938 588 H GLU 75 H GLU 75 10.428 -3.684 -9.436 589 HA GLU 75 HA GLU 75 12.582 -3.975 -9.933 590 1HB GLU 75 2HB GLU 75 12.846 -3.653 -6.942 591 2HB GLU 75 3HB GLU 75 13.866 -2.993 -8.229 592 1HG GLU 75 2HG GLU 75 11.048 -2.136 -7.442 593 2HG GLU 75 3HG GLU 75 12.521 -1.172 -7.427 Start of MODEL 18 1 1H MET 1 H1 MET 1 2.013 -2.042 -17.180 2 2H MET 1 H2 MET 1 3.339 -3.055 -17.154 3 3H MET 1 H3 MET 1 3.036 -1.989 -15.921 4 HA MET 1 HA MET 1 4.687 -0.924 -17.143 5 1HB MET 1 2HB MET 1 2.928 -1.610 -19.545 6 2HB MET 1 3HB MET 1 4.237 -0.425 -19.588 7 1HG MET 1 2HG MET 1 5.888 -2.141 -19.024 8 2HG MET 1 3HG MET 1 4.615 -3.359 -18.875 9 1HE MET 1 1HE MET 1 5.930 -1.525 -22.909 10 2HE MET 1 2HE MET 1 4.957 -0.580 -21.768 11 3HE MET 1 3HE MET 1 6.624 -1.056 -21.342 12 H GLY 2 H GLY 2 4.472 1.410 -17.849 13 1HA GLY 2 2HA GLY 2 3.374 3.448 -17.836 14 2HA GLY 2 1HA GLY 2 1.812 2.659 -17.558 15 H ASP 3 H ASP 3 2.798 4.925 -16.138 16 HA ASP 3 HA ASP 3 3.176 5.852 -14.154 17 1HB ASP 3 2HB ASP 3 1.812 3.336 -13.116 18 2HB ASP 3 3HB ASP 3 2.007 4.834 -12.209 19 H GLY 4 H GLY 4 3.912 5.282 -11.729 20 1HA GLY 4 2HA GLY 4 6.328 3.518 -11.754 21 2HA GLY 4 1HA GLY 4 5.984 4.791 -10.566 22 H VAL 5 H VAL 5 6.000 1.564 -10.602 23 HA VAL 5 HA VAL 5 3.434 1.241 -9.147 24 HB VAL 5 HB VAL 5 2.924 -0.775 -10.359 25 1HG1 VAL 5 1HG1 VAL 5 2.204 0.164 -12.460 26 2HG1 VAL 5 2HG1 VAL 5 2.110 1.447 -11.239 27 3HG1 VAL 5 3HG1 VAL 5 3.449 1.423 -12.400 28 1HG2 VAL 5 1HG2 VAL 5 5.166 -1.569 -11.001 29 2HG2 VAL 5 2HG2 VAL 5 4.131 -1.421 -12.425 30 3HG2 VAL 5 3HG2 VAL 5 5.363 -0.186 -12.102 31 H LEU 6 H LEU 6 3.412 -0.275 -7.528 32 HA LEU 6 HA LEU 6 5.554 -2.203 -7.263 33 1HB LEU 6 2HB LEU 6 6.592 -0.244 -6.177 34 2HB LEU 6 3HB LEU 6 5.121 0.011 -5.214 35 HG LEU 6 HG LEU 6 5.540 -2.097 -4.002 36 1HD1 LEU 6 1HD1 LEU 6 8.145 -2.196 -5.609 37 2HD1 LEU 6 2HD1 LEU 6 7.710 -3.251 -4.248 38 3HD1 LEU 6 3HD1 LEU 6 6.823 -3.365 -5.765 39 1HD2 LEU 6 1HD2 LEU 6 6.418 0.057 -3.187 40 2HD2 LEU 6 2HD2 LEU 6 7.460 -1.300 -2.728 41 3HD2 LEU 6 3HD2 LEU 6 7.936 -0.241 -4.072 42 H GLU 7 H GLU 7 4.890 -3.869 -5.724 43 HA GLU 7 HA GLU 7 2.134 -3.567 -4.639 44 1HB GLU 7 2HB GLU 7 3.415 -6.149 -5.480 45 2HB GLU 7 3HB GLU 7 1.842 -5.884 -4.700 46 1HG GLU 7 2HG GLU 7 1.541 -4.167 -6.790 47 2HG GLU 7 3HG GLU 7 2.789 -5.241 -7.429 48 H LEU 8 H LEU 8 1.898 -4.152 -2.563 49 HA LEU 8 HA LEU 8 4.269 -5.270 -1.136 50 1HB LEU 8 2HB LEU 8 2.273 -3.200 -0.155 51 2HB LEU 8 3HB LEU 8 3.336 -4.110 0.920 52 HG LEU 8 HG LEU 8 4.409 -2.412 -1.383 53 1HD1 LEU 8 1HD1 LEU 8 4.079 -1.622 1.527 54 2HD1 LEU 8 2HD1 LEU 8 4.849 -0.654 0.251 55 3HD1 LEU 8 3HD1 LEU 8 3.112 -0.994 0.163 56 1HD2 LEU 8 1HD2 LEU 8 6.004 -4.080 -0.466 57 2HD2 LEU 8 2HD2 LEU 8 6.484 -2.441 -0.021 58 3HD2 LEU 8 3HD2 LEU 8 5.699 -3.490 1.177 59 H VAL 9 H VAL 9 3.770 -7.280 -0.369 60 HA VAL 9 HA VAL 9 0.943 -8.077 -0.109 61 HB VAL 9 HB VAL 9 2.773 -9.695 -0.715 62 1HG1 VAL 9 1HG1 VAL 9 3.355 -9.694 2.281 63 2HG1 VAL 9 2HG1 VAL 9 4.150 -10.647 1.014 64 3HG1 VAL 9 3HG1 VAL 9 4.373 -8.887 1.077 65 1HG2 VAL 9 1HG2 VAL 9 1.806 -11.523 0.631 66 2HG2 VAL 9 2HG2 VAL 9 0.995 -10.332 1.666 67 3HG2 VAL 9 3HG2 VAL 9 0.570 -10.463 -0.057 68 H VAL 10 H VAL 10 -0.086 -8.070 1.941 69 HA VAL 10 HA VAL 10 1.294 -6.635 4.157 70 HB VAL 10 HB VAL 10 -1.164 -5.529 4.274 71 1HG1 VAL 10 1HG1 VAL 10 0.947 -4.354 4.368 72 2HG1 VAL 10 2HG1 VAL 10 1.167 -4.510 2.608 73 3HG1 VAL 10 3HG1 VAL 10 -0.162 -3.523 3.258 74 1HG2 VAL 10 1HG2 VAL 10 -1.886 -6.583 2.068 75 2HG2 VAL 10 2HG2 VAL 10 -1.988 -4.817 2.133 76 3HG2 VAL 10 3HG2 VAL 10 -0.656 -5.593 1.265 77 H ARG 11 H ARG 11 1.098 -7.722 5.979 78 HA ARG 11 HA ARG 11 -1.258 -9.530 6.349 79 1HB ARG 11 2HB ARG 11 0.195 -11.041 7.610 80 2HB ARG 11 3HB ARG 11 0.449 -10.974 5.865 81 1HG ARG 11 2HG ARG 11 2.590 -10.746 6.205 82 2HG ARG 11 3HG ARG 11 2.347 -9.142 6.872 83 1HD ARG 11 2HD ARG 11 2.293 -11.732 8.503 84 2HD ARG 11 3HD ARG 11 3.684 -10.668 8.268 85 HE ARG 11 HE ARG 11 1.389 -9.190 9.235 86 1HH1 ARG 11 2HH2 ARG 11 4.383 -10.746 10.117 87 2HH1 ARG 11 1HH2 ARG 11 4.570 -9.872 11.488 88 1HH2 ARG 11 2HH1 ARG 11 1.439 -8.283 11.318 89 2HH2 ARG 11 1HH1 ARG 11 2.741 -8.680 12.405 90 H GLY 12 H GLY 12 -2.342 -9.350 8.152 91 1HA GLY 12 2HA GLY 12 -2.303 -8.776 10.609 92 2HA GLY 12 1HA GLY 12 -1.568 -7.240 10.120 93 H MET 13 H MET 13 -3.287 -7.551 7.503 94 HA MET 13 HA MET 13 -5.604 -6.069 8.297 95 1HB MET 13 2HB MET 13 -5.113 -7.712 5.784 96 2HB MET 13 3HB MET 13 -6.351 -6.463 5.998 97 1HG MET 13 2HG MET 13 -4.441 -4.817 6.438 98 2HG MET 13 3HG MET 13 -3.341 -6.070 5.864 99 1HE MET 13 1HE MET 13 -3.515 -7.140 3.503 100 2HE MET 13 2HE MET 13 -5.273 -7.374 3.505 101 3HE MET 13 3HE MET 13 -4.498 -6.511 2.158 102 H THR 14 H THR 14 -7.841 -6.845 7.931 103 HA THR 14 HA THR 14 -8.302 -9.737 8.037 104 HB THR 14 HB THR 14 -7.847 -9.256 10.372 105 HG1 THR 14 1HG THR 14 -9.467 -10.770 9.826 106 1HG2 THR 14 1HG2 THR 14 -8.520 -6.854 10.475 107 2HG2 THR 14 2HG2 THR 14 -10.228 -7.355 10.353 108 3HG2 THR 14 3HG2 THR 14 -9.254 -7.844 11.744 109 H CYS 15 H CYS 15 -9.802 -6.455 8.151 110 HA CYS 15 HA CYS 15 -11.920 -7.454 6.296 111 1HB CYS 15 2HB CYS 15 -12.439 -5.862 8.854 112 2HB CYS 15 3HB CYS 15 -13.626 -6.280 7.607 113 HG CYS 15 HG CYS 15 -12.962 -8.941 7.828 114 H ALA 16 H ALA 16 -13.177 -5.637 5.457 115 HA ALA 16 HA ALA 16 -11.839 -4.022 3.787 116 1HB ALA 16 1HB ALA 16 -14.233 -4.474 3.734 117 2HB ALA 16 2HB ALA 16 -14.489 -3.407 5.133 118 3HB ALA 16 3HB ALA 16 -13.917 -2.728 3.592 119 H SER 17 H SER 17 -12.652 -3.193 7.137 120 HA SER 17 HA SER 17 -12.107 -0.499 7.397 121 1HB SER 17 2HB SER 17 -11.341 -1.349 9.704 122 2HB SER 17 3HB SER 17 -13.005 -1.661 9.163 123 HG SER 17 HG SER 17 -10.986 -3.553 8.595 124 H CYS 18 H CYS 18 -9.755 -3.206 7.158 125 HA CYS 18 HA CYS 18 -7.460 -1.599 8.060 126 1HB CYS 18 2HB CYS 18 -7.791 -4.402 6.883 127 2HB CYS 18 3HB CYS 18 -6.226 -3.671 7.262 128 HG CYS 18 HG CYS 18 -8.750 -3.889 9.364 129 H VAL 19 H VAL 19 -8.880 -3.062 5.187 130 HA VAL 19 HA VAL 19 -7.029 -2.318 3.311 131 HB VAL 19 HB VAL 19 -9.848 -3.223 3.358 132 1HG1 VAL 19 1HG1 VAL 19 -10.301 -1.538 1.776 133 2HG1 VAL 19 2HG1 VAL 19 -8.807 -1.892 0.860 134 3HG1 VAL 19 3HG1 VAL 19 -10.143 -3.069 0.917 135 1HG2 VAL 19 1HG2 VAL 19 -7.432 -4.093 1.775 136 2HG2 VAL 19 2HG2 VAL 19 -7.967 -4.756 3.330 137 3HG2 VAL 19 3HG2 VAL 19 -8.986 -4.937 1.885 138 H HIS 20 H HIS 20 -10.144 -0.523 3.913 139 HA HIS 20 HA HIS 20 -9.211 1.561 2.211 140 1HB HIS 20 2HB HIS 20 -11.135 2.707 2.470 141 2HB HIS 20 3HB HIS 20 -11.617 1.019 2.631 142 HD1 HIS 20 1HD HIS 20 -12.875 3.939 3.954 143 HD2 HIS 20 2HD HIS 20 -11.086 0.588 5.705 144 HE1 HIS 20 1HE HIS 20 -13.684 3.870 6.382 145 H LYS 21 H LYS 21 -8.761 1.051 5.682 146 HA LYS 21 HA LYS 21 -7.837 3.651 6.360 147 1HB LYS 21 2HB LYS 21 -8.181 1.922 8.050 148 2HB LYS 21 3HB LYS 21 -6.859 0.956 7.373 149 1HG LYS 21 2HG LYS 21 -5.268 2.790 7.915 150 2HG LYS 21 3HG LYS 21 -6.600 3.745 8.552 151 1HD LYS 21 2HD LYS 21 -5.368 2.789 10.376 152 2HD LYS 21 3HD LYS 21 -6.977 2.051 10.325 153 1HE LYS 21 2HE LYS 21 -6.103 0.007 9.379 154 2HE LYS 21 3HE LYS 21 -4.524 0.736 9.059 155 1HZ LYS 21 1HZ LYS 21 -4.595 -0.729 11.000 156 2HZ LYS 21 2HZ LYS 21 -4.046 0.742 11.388 157 3HZ LYS 21 3HZ LYS 21 -5.593 0.315 11.776 158 H ILE 22 H ILE 22 -6.035 0.804 4.992 159 HA ILE 22 HA ILE 22 -3.579 2.193 4.573 160 HB ILE 22 HB ILE 22 -4.786 -0.124 3.009 161 1HG1 ILE 22 2HG1 ILE 22 -2.601 -0.087 5.132 162 2HG1 ILE 22 3HG1 ILE 22 -4.285 -0.553 5.426 163 1HG2 ILE 22 1HG2 ILE 22 -3.142 1.037 1.602 164 2HG2 ILE 22 2HG2 ILE 22 -1.978 1.053 2.944 165 3HG2 ILE 22 3HG2 ILE 22 -2.451 -0.469 2.162 166 1HD1 ILE 22 1HD1 ILE 22 -3.082 -2.572 5.162 167 2HD1 ILE 22 2HD1 ILE 22 -4.078 -2.333 3.721 168 3HD1 ILE 22 3HD1 ILE 22 -2.321 -2.039 3.663 169 H GLU 23 H GLU 23 -6.247 1.593 2.211 170 HA GLU 23 HA GLU 23 -5.061 2.950 0.099 171 1HB GLU 23 2HB GLU 23 -8.018 2.623 0.717 172 2HB GLU 23 3HB GLU 23 -7.381 3.143 -0.845 173 1HG GLU 23 2HG GLU 23 -6.167 1.122 -1.176 174 2HG GLU 23 3HG GLU 23 -6.508 0.529 0.463 175 H SER 24 H SER 24 -7.396 4.362 2.422 176 HA SER 24 HA SER 24 -7.318 7.014 1.375 177 1HB SER 24 2HB SER 24 -9.034 6.156 2.929 178 2HB SER 24 3HB SER 24 -7.833 6.049 4.227 179 HG SER 24 HG SER 24 -9.096 8.012 4.233 180 H SER 25 H SER 25 -5.494 5.496 4.089 181 HA SER 25 HA SER 25 -4.098 7.775 4.911 182 1HB SER 25 2HB SER 25 -4.273 5.712 6.212 183 2HB SER 25 3HB SER 25 -3.241 4.868 5.025 184 HG SER 25 HG SER 25 -2.431 7.164 6.499 185 H LEU 26 H LEU 26 -3.222 5.389 2.374 186 HA LEU 26 HA LEU 26 -0.737 6.801 1.790 187 1HB LEU 26 2HB LEU 26 -2.186 4.687 0.166 188 2HB LEU 26 3HB LEU 26 -0.519 5.266 -0.059 189 HG LEU 26 HG LEU 26 -1.505 3.856 2.452 190 1HD1 LEU 26 1HD1 LEU 26 -0.181 1.967 1.569 191 2HD1 LEU 26 2HD1 LEU 26 -1.507 2.392 0.477 192 3HD1 LEU 26 3HD1 LEU 26 0.141 2.905 0.089 193 1HD2 LEU 26 1HD2 LEU 26 0.336 5.297 3.023 194 2HD2 LEU 26 2HD2 LEU 26 0.957 3.651 2.892 195 3HD2 LEU 26 3HD2 LEU 26 1.240 4.816 1.578 196 H THR 27 H THR 27 -3.884 6.564 0.049 197 HA THR 27 HA THR 27 -3.025 8.059 -2.160 198 HB THR 27 HB THR 27 -5.815 7.932 -0.987 199 HG1 THR 27 1HG THR 27 -5.113 5.894 -1.377 200 1HG2 THR 27 1HG2 THR 27 -4.820 8.498 -3.824 201 2HG2 THR 27 2HG2 THR 27 -6.515 8.240 -3.367 202 3HG2 THR 27 3HG2 THR 27 -5.646 9.663 -2.765 203 H LYS 28 H LYS 28 -4.230 9.232 0.987 204 HA LYS 28 HA LYS 28 -4.524 11.940 0.409 205 1HB LYS 28 2HB LYS 28 -4.253 12.344 2.747 206 2HB LYS 28 3HB LYS 28 -5.101 10.802 2.526 207 1HG LYS 28 2HG LYS 28 -3.587 9.949 3.985 208 2HG LYS 28 3HG LYS 28 -2.555 9.940 2.567 209 1HD LYS 28 2HD LYS 28 -1.146 10.882 4.072 210 2HD LYS 28 3HD LYS 28 -1.791 12.339 3.325 211 1HE LYS 28 2HE LYS 28 -2.621 11.050 5.979 212 2HE LYS 28 3HE LYS 28 -1.695 12.544 5.781 213 1HZ LYS 28 1HZ LYS 28 -3.629 13.535 4.759 214 2HZ LYS 28 2HZ LYS 28 -4.485 12.140 4.933 215 3HZ LYS 28 3HZ LYS 28 -4.000 12.979 6.264 216 H HIS 29 H HIS 29 -1.423 10.195 0.487 217 HA HIS 29 HA HIS 29 0.260 12.486 1.019 218 1HB HIS 29 2HB HIS 29 0.741 9.980 -0.614 219 2HB HIS 29 3HB HIS 29 1.950 11.218 -0.273 220 HD1 HIS 29 1HD HIS 29 3.665 9.973 1.152 221 HD2 HIS 29 2HD HIS 29 -0.301 9.101 2.060 222 HE1 HIS 29 1HE HIS 29 3.692 8.083 2.868 223 H ARG 30 H ARG 30 -1.566 11.417 -1.788 224 HA ARG 30 HA ARG 30 -2.036 12.308 -3.763 225 1HB ARG 30 2HB ARG 30 -0.131 14.617 -3.237 226 2HB ARG 30 3HB ARG 30 -1.385 14.510 -4.461 227 1HG ARG 30 2HG ARG 30 -3.144 14.496 -2.760 228 2HG ARG 30 3HG ARG 30 -1.937 14.519 -1.462 229 1HD ARG 30 2HD ARG 30 -1.026 16.634 -2.212 230 2HD ARG 30 3HD ARG 30 -2.127 16.714 -3.578 231 HE ARG 30 HE ARG 30 -2.633 17.327 -0.770 232 1HH1 ARG 30 2HH2 ARG 30 -4.199 16.290 -3.736 233 2HH1 ARG 30 1HH2 ARG 30 -5.743 17.012 -3.396 234 1HH2 ARG 30 2HH1 ARG 30 -4.669 18.304 -0.243 235 2HH2 ARG 30 1HH1 ARG 30 -6.015 18.164 -1.325 236 H GLY 31 H GLY 31 1.064 11.253 -2.948 237 1HA GLY 31 2HA GLY 31 2.053 11.271 -5.761 238 2HA GLY 31 1HA GLY 31 2.922 10.719 -4.338 239 H ILE 32 H ILE 32 0.394 9.224 -3.431 240 HA ILE 32 HA ILE 32 0.752 6.767 -5.037 241 HB ILE 32 HB ILE 32 -0.815 7.443 -2.534 242 1HG1 ILE 32 2HG1 ILE 32 0.737 5.245 -1.970 243 2HG1 ILE 32 3HG1 ILE 32 1.747 6.058 -3.161 244 1HG2 ILE 32 1HG2 ILE 32 -0.765 4.835 -4.106 245 2HG2 ILE 32 2HG2 ILE 32 -1.427 5.039 -2.468 246 3HG2 ILE 32 3HG2 ILE 32 -2.194 5.862 -3.830 247 1HD1 ILE 32 1HD1 ILE 32 2.415 6.987 -1.092 248 2HD1 ILE 32 2HD1 ILE 32 1.293 8.187 -1.767 249 3HD1 ILE 32 3HD1 ILE 32 0.760 7.093 -0.486 250 H LEU 33 H LEU 33 -0.138 6.850 -6.951 251 HA LEU 33 HA LEU 33 -2.381 8.656 -7.560 252 1HB LEU 33 2HB LEU 33 -0.925 6.655 -9.336 253 2HB LEU 33 3HB LEU 33 -1.965 7.988 -9.852 254 HG LEU 33 HG LEU 33 0.771 8.231 -8.513 255 1HD1 LEU 33 1HD1 LEU 33 0.834 7.482 -10.858 256 2HD1 LEU 33 2HD1 LEU 33 -0.147 8.885 -11.337 257 3HD1 LEU 33 3HD1 LEU 33 1.484 9.119 -10.674 258 1HD2 LEU 33 1HD2 LEU 33 -0.607 10.126 -7.795 259 2HD2 LEU 33 2HD2 LEU 33 0.566 10.661 -8.998 260 3HD2 LEU 33 3HD2 LEU 33 -1.128 10.415 -9.473 261 H TYR 34 H TYR 34 -1.788 5.159 -6.975 262 HA TYR 34 HA TYR 34 -4.629 4.943 -6.605 263 1HB TYR 34 2HB TYR 34 -4.144 4.489 -9.134 264 2HB TYR 34 3HB TYR 34 -3.280 3.049 -8.582 265 HD1 TYR 34 HD1 TYR 34 -4.543 1.083 -8.845 266 HD2 TYR 34 HD2 TYR 34 -6.538 4.775 -7.829 267 HE1 TYR 34 HE1 TYR 34 -6.705 -0.088 -8.778 268 HE2 TYR 34 HE2 TYR 34 -8.612 3.570 -7.472 269 HH TYR 34 HH TYR 34 -9.693 1.477 -7.579 270 H CYS 35 H CYS 35 -5.078 3.367 -5.109 271 HA CYS 35 HA CYS 35 -2.994 1.392 -4.313 272 1HB CYS 35 2HB CYS 35 -2.902 3.298 -2.692 273 2HB CYS 35 3HB CYS 35 -4.631 3.030 -2.353 274 HG CYS 35 HG CYS 35 -3.348 1.872 -0.470 275 H SER 36 H SER 36 -3.981 -0.509 -4.702 276 HA SER 36 HA SER 36 -6.906 -0.770 -4.067 277 1HB SER 36 2HB SER 36 -6.631 -0.720 -6.484 278 2HB SER 36 3HB SER 36 -5.437 -2.039 -6.410 279 HG SER 36 HG SER 36 -7.636 -2.715 -6.862 280 H VAL 37 H VAL 37 -6.814 -1.816 -2.169 281 HA VAL 37 HA VAL 37 -4.678 -3.838 -1.768 282 HB VAL 37 HB VAL 37 -6.444 -2.567 0.343 283 1HG1 VAL 37 1HG1 VAL 37 -3.730 -3.969 0.378 284 2HG1 VAL 37 2HG1 VAL 37 -4.593 -3.327 1.789 285 3HG1 VAL 37 3HG1 VAL 37 -5.258 -4.717 0.903 286 1HG2 VAL 37 1HG2 VAL 37 -3.659 -1.751 -0.586 287 2HG2 VAL 37 2HG2 VAL 37 -5.134 -0.817 -0.821 288 3HG2 VAL 37 3HG2 VAL 37 -4.534 -1.102 0.815 289 H ALA 38 H ALA 38 -5.333 -5.571 -2.848 290 HA ALA 38 HA ALA 38 -8.120 -6.509 -2.607 291 1HB ALA 38 1HB ALA 38 -7.073 -6.604 -4.784 292 2HB ALA 38 2HB ALA 38 -5.703 -7.521 -4.135 293 3HB ALA 38 3HB ALA 38 -7.335 -8.249 -4.173 294 H LEU 39 H LEU 39 -7.974 -6.702 -0.328 295 HA LEU 39 HA LEU 39 -6.532 -8.266 1.315 296 1HB LEU 39 2HB LEU 39 -9.135 -7.230 1.335 297 2HB LEU 39 3HB LEU 39 -9.414 -8.950 1.565 298 HG LEU 39 HG LEU 39 -7.555 -7.197 3.224 299 1HD1 LEU 39 1HD1 LEU 39 -10.280 -8.360 3.928 300 2HD1 LEU 39 2HD1 LEU 39 -9.237 -7.382 4.983 301 3HD1 LEU 39 3HD1 LEU 39 -9.953 -6.657 3.536 302 1HD2 LEU 39 1HD2 LEU 39 -6.774 -9.542 3.267 303 2HD2 LEU 39 2HD2 LEU 39 -7.525 -9.131 4.812 304 3HD2 LEU 39 3HD2 LEU 39 -8.421 -10.101 3.626 305 H ALA 40 H ALA 40 -8.671 -9.485 -1.209 306 HA ALA 40 HA ALA 40 -8.830 -12.225 -0.616 307 1HB ALA 40 1HB ALA 40 -9.230 -12.502 -3.036 308 2HB ALA 40 2HB ALA 40 -10.111 -11.096 -2.403 309 3HB ALA 40 3HB ALA 40 -8.613 -10.865 -3.339 310 H THR 41 H THR 41 -6.167 -10.385 -2.047 311 HA THR 41 HA THR 41 -4.467 -12.836 -2.226 312 HB THR 41 HB THR 41 -4.919 -12.046 -4.424 313 HG1 THR 41 1HG THR 41 -2.383 -11.407 -3.395 314 1HG2 THR 41 1HG2 THR 41 -4.409 -9.831 -5.233 315 2HG2 THR 41 2HG2 THR 41 -5.729 -9.857 -4.078 316 3HG2 THR 41 3HG2 THR 41 -4.127 -9.271 -3.559 317 H ASN 42 H ASN 42 -5.173 -10.640 -0.086 318 HA ASN 42 HA ASN 42 -4.173 -9.139 1.290 319 1HB ASN 42 2HB ASN 42 -2.803 -11.780 1.428 320 2HB ASN 42 3HB ASN 42 -1.969 -10.483 2.265 321 1HD2 ASN 42 1HD2 ASN 42 -2.949 -9.356 4.026 322 2HD2 ASN 42 2HD2 ASN 42 -4.335 -10.080 4.849 323 H LYS 43 H LYS 43 -3.617 -8.269 -1.256 324 HA LYS 43 HA LYS 43 -0.867 -7.188 -0.934 325 1HB LYS 43 2HB LYS 43 -0.317 -8.626 -2.566 326 2HB LYS 43 3HB LYS 43 -1.931 -8.744 -3.222 327 1HG LYS 43 2HG LYS 43 -0.357 -6.236 -3.720 328 2HG LYS 43 3HG LYS 43 -0.086 -7.703 -4.620 329 1HD LYS 43 2HD LYS 43 -2.943 -6.705 -4.361 330 2HD LYS 43 3HD LYS 43 -1.843 -5.931 -5.506 331 1HE LYS 43 2HE LYS 43 -2.362 -8.913 -5.438 332 2HE LYS 43 3HE LYS 43 -3.331 -7.803 -6.409 333 1HZ LYS 43 1HZ LYS 43 -1.300 -7.172 -7.630 334 2HZ LYS 43 2HZ LYS 43 -0.408 -8.129 -6.754 335 3HZ LYS 43 3HZ LYS 43 -1.525 -8.772 -7.772 336 H ALA 44 H ALA 44 -0.477 -5.206 -1.587 337 HA ALA 44 HA ALA 44 -2.742 -3.355 -2.223 338 1HB ALA 44 1HB ALA 44 -1.275 -1.628 -1.302 339 2HB ALA 44 2HB ALA 44 -1.595 -2.854 -0.055 340 3HB ALA 44 3HB ALA 44 -0.041 -2.839 -0.902 341 H HIS 45 H HIS 45 -2.779 -3.310 -4.382 342 HA HIS 45 HA HIS 45 -0.281 -3.155 -6.006 343 1HB HIS 45 2HB HIS 45 -2.446 -4.214 -6.856 344 2HB HIS 45 3HB HIS 45 -3.148 -2.586 -6.793 345 HD1 HIS 45 1HD HIS 45 -0.735 -4.696 -8.783 346 HD2 HIS 45 2HD HIS 45 -1.781 -0.692 -8.233 347 HE1 HIS 45 1HE HIS 45 0.240 -3.440 -10.786 348 H ILE 46 H ILE 46 0.838 -1.300 -5.835 349 HA ILE 46 HA ILE 46 -0.668 1.211 -5.278 350 HB ILE 46 HB ILE 46 2.118 0.437 -4.372 351 1HG1 ILE 46 2HG1 ILE 46 -0.606 0.593 -2.996 352 2HG1 ILE 46 3HG1 ILE 46 0.443 -0.835 -3.158 353 1HG2 ILE 46 1HG2 ILE 46 2.086 2.574 -3.211 354 2HG2 ILE 46 2HG2 ILE 46 1.687 2.894 -4.888 355 3HG2 ILE 46 3HG2 ILE 46 0.393 2.859 -3.679 356 1HD1 ILE 46 1HD1 ILE 46 2.166 0.351 -1.809 357 2HD1 ILE 46 2HD1 ILE 46 0.936 1.627 -1.527 358 3HD1 ILE 46 3HD1 ILE 46 0.654 -0.021 -0.931 359 H LYS 47 H LYS 47 -0.704 2.429 -6.982 360 HA LYS 47 HA LYS 47 1.584 2.448 -8.879 361 1HB LYS 47 2HB LYS 47 -1.231 3.432 -9.150 362 2HB LYS 47 3HB LYS 47 0.064 3.595 -10.384 363 1HG LYS 47 2HG LYS 47 0.178 0.957 -10.068 364 2HG LYS 47 3HG LYS 47 -1.456 1.159 -9.451 365 1HD LYS 47 2HD LYS 47 -0.463 2.043 -12.209 366 2HD LYS 47 3HD LYS 47 -1.335 0.554 -11.846 367 1HE LYS 47 2HE LYS 47 -2.957 2.025 -12.728 368 2HE LYS 47 3HE LYS 47 -3.280 1.955 -10.989 369 1HZ LYS 47 1HZ LYS 47 -2.104 4.086 -10.818 370 2HZ LYS 47 2HZ LYS 47 -1.791 4.075 -12.411 371 3HZ LYS 47 3HZ LYS 47 -3.343 4.216 -11.898 372 H TYR 48 H TYR 48 3.022 4.137 -8.342 373 HA TYR 48 HA TYR 48 2.063 6.658 -7.319 374 1HB TYR 48 2HB TYR 48 3.135 6.502 -5.177 375 2HB TYR 48 3HB TYR 48 2.211 5.023 -5.320 376 HD1 TYR 48 HD1 TYR 48 3.571 2.940 -6.360 377 HD2 TYR 48 HD2 TYR 48 5.422 6.453 -4.687 378 HE1 TYR 48 HE1 TYR 48 5.769 1.875 -6.530 379 HE2 TYR 48 HE2 TYR 48 7.595 5.257 -4.606 380 HH TYR 48 HH TYR 48 8.009 2.026 -6.067 381 H ASP 49 H ASP 49 3.778 8.336 -7.600 382 HA ASP 49 HA ASP 49 6.016 7.377 -9.234 383 1HB ASP 49 2HB ASP 49 6.536 9.739 -9.531 384 2HB ASP 49 3HB ASP 49 4.907 9.312 -10.053 385 HA PRO 50 HA PRO 50 8.531 7.291 -5.547 386 1HB PRO 50 2HB PRO 50 11.047 7.120 -6.642 387 2HB PRO 50 3HB PRO 50 9.878 5.769 -6.581 388 1HG PRO 50 2HG PRO 50 10.471 7.611 -8.891 389 2HG PRO 50 3HG PRO 50 10.261 5.844 -8.921 390 1HD PRO 50 2HD PRO 50 8.263 7.599 -9.602 391 2HD PRO 50 3HD PRO 50 7.917 6.033 -8.800 392 H GLU 51 H GLU 51 9.112 9.695 -8.101 393 HA GLU 51 HA GLU 51 10.969 11.251 -6.552 394 1HB GLU 51 2HB GLU 51 9.562 12.013 -9.135 395 2HB GLU 51 3HB GLU 51 11.092 12.642 -8.495 396 1HG GLU 51 2HG GLU 51 10.562 9.804 -9.469 397 2HG GLU 51 3HG GLU 51 11.556 11.027 -10.268 398 H ILE 52 H ILE 52 8.900 11.048 -5.032 399 HA ILE 52 HA ILE 52 8.318 13.710 -4.203 400 HB ILE 52 HB ILE 52 6.572 13.536 -5.901 401 1HG1 ILE 52 2HG1 ILE 52 6.183 14.832 -3.795 402 2HG1 ILE 52 3HG1 ILE 52 4.768 14.383 -4.746 403 1HG2 ILE 52 1HG2 ILE 52 4.710 12.059 -5.843 404 2HG2 ILE 52 2HG2 ILE 52 6.215 11.130 -5.961 405 3HG2 ILE 52 3HG2 ILE 52 5.325 11.191 -4.437 406 1HD1 ILE 52 1HD1 ILE 52 5.610 13.049 -2.140 407 2HD1 ILE 52 2HD1 ILE 52 4.273 14.167 -2.393 408 3HD1 ILE 52 3HD1 ILE 52 4.221 12.567 -3.134 409 H ILE 53 H ILE 53 7.309 10.309 -4.136 410 HA ILE 53 HA ILE 53 7.348 10.286 -1.149 411 HB ILE 53 HB ILE 53 5.585 9.130 -3.264 412 1HG1 ILE 53 2HG1 ILE 53 5.072 9.551 -0.319 413 2HG1 ILE 53 3HG1 ILE 53 5.128 10.945 -1.383 414 1HG2 ILE 53 1HG2 ILE 53 6.307 7.471 -0.852 415 2HG2 ILE 53 2HG2 ILE 53 4.743 7.390 -1.676 416 3HG2 ILE 53 3HG2 ILE 53 6.174 6.947 -2.564 417 1HD1 ILE 53 1HD1 ILE 53 2.986 9.222 -0.965 418 2HD1 ILE 53 2HD1 ILE 53 3.065 10.614 -2.065 419 3HD1 ILE 53 3HD1 ILE 53 3.440 8.990 -2.664 420 H GLY 54 H GLY 54 7.774 7.562 -3.388 421 1HA GLY 54 2HA GLY 54 9.726 6.241 -3.593 422 2HA GLY 54 1HA GLY 54 10.470 7.020 -2.195 423 HA PRO 55 HA PRO 55 7.345 3.319 -1.617 424 1HB PRO 55 2HB PRO 55 8.946 1.071 -1.376 425 2HB PRO 55 3HB PRO 55 8.282 1.722 -2.901 426 1HG PRO 55 2HG PRO 55 11.039 2.212 -1.763 427 2HG PRO 55 3HG PRO 55 10.604 1.723 -3.428 428 1HD PRO 55 2HD PRO 55 11.088 4.314 -2.841 429 2HD PRO 55 3HD PRO 55 9.739 3.885 -3.929 430 H ARG 56 H ARG 56 10.465 3.661 0.035 431 HA ARG 56 HA ARG 56 10.136 2.658 2.535 432 1HB ARG 56 2HB ARG 56 11.289 4.824 3.343 433 2HB ARG 56 3HB ARG 56 12.133 3.778 2.197 434 1HG ARG 56 2HG ARG 56 11.752 5.233 0.368 435 2HG ARG 56 3HG ARG 56 10.507 6.147 1.232 436 1HD ARG 56 2HD ARG 56 12.166 7.142 2.713 437 2HD ARG 56 3HD ARG 56 13.431 6.084 2.070 438 HE ARG 56 HE ARG 56 13.732 7.496 0.303 439 1HH1 ARG 56 2HH2 ARG 56 10.568 8.364 1.796 440 2HH1 ARG 56 1HH2 ARG 56 9.992 9.140 0.401 441 1HH2 ARG 56 2HH1 ARG 56 12.979 8.860 -1.518 442 2HH2 ARG 56 1HH1 ARG 56 11.319 9.431 -1.402 443 H ASP 57 H ASP 57 8.544 5.723 1.443 444 HA ASP 57 HA ASP 57 7.658 6.371 4.101 445 1HB ASP 57 2HB ASP 57 6.496 7.319 1.451 446 2HB ASP 57 3HB ASP 57 6.328 8.097 3.031 447 H ILE 58 H ILE 58 6.183 4.824 1.285 448 HA ILE 58 HA ILE 58 3.535 4.522 2.354 449 HB ILE 58 HB ILE 58 5.097 3.154 0.133 450 1HG1 ILE 58 2HG1 ILE 58 2.637 4.800 -0.279 451 2HG1 ILE 58 3HG1 ILE 58 4.126 5.666 0.136 452 1HG2 ILE 58 1HG2 ILE 58 2.872 2.286 -0.607 453 2HG2 ILE 58 2HG2 ILE 58 3.524 1.488 0.825 454 3HG2 ILE 58 3HG2 ILE 58 2.234 2.699 0.999 455 1HD1 ILE 58 1HD1 ILE 58 3.941 3.641 -2.126 456 2HD1 ILE 58 2HD1 ILE 58 3.826 5.400 -2.319 457 3HD1 ILE 58 3HD1 ILE 58 5.324 4.673 -1.697 458 H ILE 59 H ILE 59 6.417 2.395 2.228 459 HA ILE 59 HA ILE 59 5.320 0.154 3.563 460 HB ILE 59 HB ILE 59 8.145 1.256 3.432 461 1HG1 ILE 59 2HG1 ILE 59 6.955 -1.202 2.087 462 2HG1 ILE 59 3HG1 ILE 59 6.860 0.393 1.337 463 1HG2 ILE 59 1HG2 ILE 59 8.041 -0.115 5.442 464 2HG2 ILE 59 2HG2 ILE 59 7.178 -1.402 4.570 465 3HG2 ILE 59 3HG2 ILE 59 8.872 -1.028 4.194 466 1HD1 ILE 59 1HD1 ILE 59 9.335 0.603 1.445 467 2HD1 ILE 59 2HD1 ILE 59 9.426 -1.072 2.030 468 3HD1 ILE 59 3HD1 ILE 59 8.757 -0.725 0.423 469 H HIS 60 H HIS 60 7.193 2.914 5.021 470 HA HIS 60 HA HIS 60 6.857 2.166 7.696 471 1HB HIS 60 2HB HIS 60 6.958 4.957 6.455 472 2HB HIS 60 3HB HIS 60 7.119 4.611 8.178 473 HD1 HIS 60 1HD HIS 60 9.334 5.551 5.636 474 HD2 HIS 60 2HD HIS 60 9.206 2.382 8.398 475 HE1 HIS 60 1HE HIS 60 11.748 4.773 5.966 476 H THR 61 H THR 61 4.697 4.103 5.568 477 HA THR 61 HA THR 61 2.861 4.778 7.636 478 HB THR 61 HB THR 61 2.342 4.514 4.650 479 HG1 THR 61 1HG THR 61 3.996 5.967 5.153 480 1HG2 THR 61 1HG2 THR 61 0.579 6.242 5.144 481 2HG2 THR 61 2HG2 THR 61 0.211 4.663 5.858 482 3HG2 THR 61 3HG2 THR 61 0.847 5.980 6.872 483 H ILE 62 H ILE 62 2.737 2.078 5.246 484 HA ILE 62 HA ILE 62 0.383 0.807 6.155 485 HB ILE 62 HB ILE 62 2.912 -0.124 4.773 486 1HG1 ILE 62 2HG1 ILE 62 0.019 -0.021 3.802 487 2HG1 ILE 62 3HG1 ILE 62 1.122 1.357 3.675 488 1HG2 ILE 62 1HG2 ILE 62 1.925 -2.270 4.291 489 2HG2 ILE 62 2HG2 ILE 62 2.140 -2.111 6.014 490 3HG2 ILE 62 3HG2 ILE 62 0.514 -1.909 5.308 491 1HD1 ILE 62 1HD1 ILE 62 1.528 -1.357 2.353 492 2HD1 ILE 62 2HD1 ILE 62 1.160 0.177 1.568 493 3HD1 ILE 62 3HD1 ILE 62 2.712 -0.025 2.398 494 H GLU 63 H GLU 63 3.798 0.134 7.088 495 HA GLU 63 HA GLU 63 3.232 -1.894 8.920 496 1HB GLU 63 2HB GLU 63 5.489 0.143 8.795 497 2HB GLU 63 3HB GLU 63 5.489 -1.233 9.910 498 1HG GLU 63 2HG GLU 63 5.421 -2.828 8.097 499 2HG GLU 63 3HG GLU 63 5.213 -1.560 6.884 500 H SER 64 H SER 64 3.843 1.542 9.552 501 HA SER 64 HA SER 64 3.271 1.651 12.290 502 1HB SER 64 2HB SER 64 4.414 3.390 11.006 503 2HB SER 64 3HB SER 64 2.956 3.761 10.101 504 HG SER 64 HG SER 64 2.033 4.216 12.310 505 H LEU 65 H LEU 65 1.001 1.819 9.508 506 HA LEU 65 HA LEU 65 -1.281 2.602 10.985 507 1HB LEU 65 2HB LEU 65 -0.639 1.640 8.269 508 2HB LEU 65 3HB LEU 65 -2.113 0.920 8.850 509 HG LEU 65 HG LEU 65 -3.104 3.056 9.307 510 1HD1 LEU 65 1HD1 LEU 65 -1.084 4.455 9.857 511 2HD1 LEU 65 2HD1 LEU 65 -0.567 4.325 8.170 512 3HD1 LEU 65 3HD1 LEU 65 -2.065 5.173 8.582 513 1HD2 LEU 65 1HD2 LEU 65 -3.167 1.937 7.045 514 2HD2 LEU 65 2HD2 LEU 65 -3.344 3.695 6.962 515 3HD2 LEU 65 3HD2 LEU 65 -1.783 2.937 6.558 516 H GLY 66 H GLY 66 -0.309 -0.687 9.980 517 1HA GLY 66 2HA GLY 66 -1.504 -1.753 12.437 518 2HA GLY 66 1HA GLY 66 -2.475 -2.119 11.011 519 H PHE 67 H PHE 67 0.774 -2.279 9.963 520 HA PHE 67 HA PHE 67 0.145 -5.206 9.812 521 1HB PHE 67 2HB PHE 67 0.758 -3.280 7.560 522 2HB PHE 67 3HB PHE 67 0.184 -4.939 7.408 523 HD1 PHE 67 1HD PHE 67 -0.893 -1.607 7.136 524 HD2 PHE 67 2HD PHE 67 -2.057 -5.292 9.022 525 HE1 PHE 67 1HE PHE 67 -3.156 -0.715 7.482 526 HE2 PHE 67 2HE PHE 67 -4.316 -4.380 9.425 527 HZ PHE 67 HZ PHE 67 -4.895 -2.105 8.583 528 H GLU 68 H GLU 68 1.750 -6.376 8.337 529 HA GLU 68 HA GLU 68 4.504 -5.242 8.473 530 1HB GLU 68 2HB GLU 68 4.027 -7.208 10.063 531 2HB GLU 68 3HB GLU 68 3.762 -8.166 8.583 532 1HG GLU 68 2HG GLU 68 6.113 -7.831 7.947 533 2HG GLU 68 3HG GLU 68 6.366 -6.848 9.412 534 H ALA 69 H ALA 69 5.637 -5.803 6.388 535 HA ALA 69 HA ALA 69 3.806 -6.656 4.262 536 1HB ALA 69 1HB ALA 69 3.400 -4.228 4.600 537 2HB ALA 69 2HB ALA 69 5.131 -3.907 4.364 538 3HB ALA 69 3HB ALA 69 4.148 -4.533 3.023 539 H SER 70 H SER 70 4.843 -6.727 2.078 540 HA SER 70 HA SER 70 7.781 -6.743 2.051 541 1HB SER 70 2HB SER 70 6.819 -9.073 2.870 542 2HB SER 70 3HB SER 70 6.500 -9.339 1.157 543 HG SER 70 HG SER 70 8.645 -9.156 0.704 544 H LEU 71 H LEU 71 8.608 -6.368 0.036 545 HA LEU 71 HA LEU 71 6.842 -5.423 -2.094 546 1HB LEU 71 2HB LEU 71 9.877 -5.748 -1.912 547 2HB LEU 71 3HB LEU 71 8.991 -4.986 -3.234 548 HG LEU 71 HG LEU 71 8.077 -3.303 -1.599 549 1HD1 LEU 71 1HD1 LEU 71 9.587 -2.938 0.442 550 2HD1 LEU 71 2HD1 LEU 71 8.450 -4.262 0.595 551 3HD1 LEU 71 3HD1 LEU 71 10.162 -4.597 0.222 552 1HD2 LEU 71 1HD2 LEU 71 9.926 -2.829 -3.168 553 2HD2 LEU 71 2HD2 LEU 71 10.133 -1.960 -1.643 554 3HD2 LEU 71 3HD2 LEU 71 11.097 -3.417 -1.965 555 H VAL 72 H VAL 72 5.805 -7.648 -2.111 556 HA VAL 72 HA VAL 72 6.976 -9.639 -3.836 557 HB VAL 72 HB VAL 72 4.666 -10.336 -4.273 558 1HG1 VAL 72 1HG1 VAL 72 5.884 -11.058 -2.237 559 2HG1 VAL 72 2HG1 VAL 72 5.131 -9.729 -1.332 560 3HG1 VAL 72 3HG1 VAL 72 4.130 -11.027 -2.026 561 1HG2 VAL 72 1HG2 VAL 72 2.766 -9.227 -3.127 562 2HG2 VAL 72 2HG2 VAL 72 3.828 -7.866 -2.708 563 3HG2 VAL 72 3HG2 VAL 72 3.474 -8.238 -4.405 564 H LYS 73 H LYS 73 6.712 -9.885 -6.101 565 HA LYS 73 HA LYS 73 6.086 -7.419 -7.675 566 1HB LYS 73 2HB LYS 73 8.563 -9.174 -7.754 567 2HB LYS 73 3HB LYS 73 8.075 -8.143 -9.106 568 1HG LYS 73 2HG LYS 73 8.247 -6.147 -7.868 569 2HG LYS 73 3HG LYS 73 8.360 -6.953 -6.314 570 1HD LYS 73 2HD LYS 73 10.445 -7.258 -8.518 571 2HD LYS 73 3HD LYS 73 10.535 -5.979 -7.310 572 1HE LYS 73 2HE LYS 73 10.535 -8.981 -6.677 573 2HE LYS 73 3HE LYS 73 11.963 -7.950 -6.765 574 1HZ LYS 73 1HZ LYS 73 9.759 -7.635 -4.803 575 2HZ LYS 73 2HZ LYS 73 11.259 -8.215 -4.518 576 3HZ LYS 73 3HZ LYS 73 11.057 -6.645 -4.947 577 H ILE 74 H ILE 74 4.110 -8.232 -8.204 578 HA ILE 74 HA ILE 74 3.890 -10.564 -9.947 579 HB ILE 74 HB ILE 74 2.047 -11.496 -8.600 580 1HG1 ILE 74 2HG1 ILE 74 2.702 -9.238 -6.663 581 2HG1 ILE 74 3HG1 ILE 74 1.214 -9.502 -7.600 582 1HG2 ILE 74 1HG2 ILE 74 4.399 -12.282 -8.162 583 2HG2 ILE 74 2HG2 ILE 74 4.448 -11.199 -6.753 584 3HG2 ILE 74 3HG2 ILE 74 3.275 -12.527 -6.820 585 1HD1 ILE 74 1HD1 ILE 74 0.707 -11.487 -6.253 586 2HD1 ILE 74 2HD1 ILE 74 2.144 -11.146 -5.246 587 3HD1 ILE 74 3HD1 ILE 74 0.815 -9.974 -5.322 588 H GLU 75 H GLU 75 1.261 -10.498 -10.427 589 HA GLU 75 HA GLU 75 0.622 -7.698 -11.187 590 1HB GLU 75 2HB GLU 75 -0.743 -10.290 -11.990 591 2HB GLU 75 3HB GLU 75 -0.965 -8.679 -12.691 592 1HG GLU 75 2HG GLU 75 1.578 -10.379 -12.872 593 2HG GLU 75 3HG GLU 75 0.410 -10.090 -14.161 Start of MODEL 19 1 1H MET 1 H1 MET 1 6.584 6.828 -17.238 2 2H MET 1 H2 MET 1 7.212 7.882 -18.363 3 3H MET 1 H3 MET 1 5.602 7.478 -18.373 4 HA MET 1 HA MET 1 6.648 6.326 -20.124 5 1HB MET 1 2HB MET 1 8.397 5.232 -17.878 6 2HB MET 1 3HB MET 1 8.229 4.452 -19.464 7 1HG MET 1 2HG MET 1 9.063 6.457 -20.591 8 2HG MET 1 3HG MET 1 9.247 7.285 -19.034 9 1HE MET 1 1HE MET 1 11.722 7.913 -19.682 10 2HE MET 1 2HE MET 1 12.936 6.713 -20.176 11 3HE MET 1 3HE MET 1 11.548 7.053 -21.235 12 H GLY 2 H GLY 2 6.867 3.710 -17.839 13 1HA GLY 2 2HA GLY 2 3.973 3.095 -17.996 14 2HA GLY 2 1HA GLY 2 5.230 2.194 -17.141 15 H ASP 3 H ASP 3 3.084 2.579 -15.623 16 HA ASP 3 HA ASP 3 3.367 4.932 -13.898 17 1HB ASP 3 2HB ASP 3 1.592 3.734 -12.620 18 2HB ASP 3 3HB ASP 3 1.138 4.046 -14.304 19 H GLY 4 H GLY 4 4.204 4.769 -11.751 20 1HA GLY 4 2HA GLY 4 6.301 2.788 -11.350 21 2HA GLY 4 1HA GLY 4 5.794 4.058 -10.242 22 H VAL 5 H VAL 5 5.042 0.793 -11.411 23 HA VAL 5 HA VAL 5 2.882 0.363 -9.558 24 HB VAL 5 HB VAL 5 3.125 -2.032 -10.135 25 1HG1 VAL 5 1HG1 VAL 5 3.150 -0.160 -12.531 26 2HG1 VAL 5 2HG1 VAL 5 2.482 -1.803 -12.482 27 3HG1 VAL 5 3HG1 VAL 5 1.764 -0.532 -11.483 28 1HG2 VAL 5 1HG2 VAL 5 5.473 -1.157 -11.878 29 2HG2 VAL 5 2HG2 VAL 5 5.551 -2.231 -10.466 30 3HG2 VAL 5 3HG2 VAL 5 4.673 -2.731 -11.915 31 H LEU 6 H LEU 6 2.807 -0.555 -7.560 32 HA LEU 6 HA LEU 6 5.245 -1.553 -6.251 33 1HB LEU 6 2HB LEU 6 4.829 0.937 -5.948 34 2HB LEU 6 3HB LEU 6 3.321 0.564 -5.147 35 HG LEU 6 HG LEU 6 5.045 1.192 -3.627 36 1HD1 LEU 6 1HD1 LEU 6 4.614 -1.792 -3.227 37 2HD1 LEU 6 2HD1 LEU 6 5.028 -0.566 -2.011 38 3HD1 LEU 6 3HD1 LEU 6 3.446 -0.515 -2.802 39 1HD2 LEU 6 1HD2 LEU 6 6.687 -1.196 -4.546 40 2HD2 LEU 6 2HD2 LEU 6 7.029 0.501 -4.944 41 3HD2 LEU 6 3HD2 LEU 6 7.110 -0.048 -3.261 42 H GLU 7 H GLU 7 4.356 -3.508 -6.656 43 HA GLU 7 HA GLU 7 1.802 -4.249 -5.392 44 1HB GLU 7 2HB GLU 7 3.076 -5.063 -7.701 45 2HB GLU 7 3HB GLU 7 3.609 -6.300 -6.566 46 1HG GLU 7 2HG GLU 7 1.577 -6.991 -7.569 47 2HG GLU 7 3HG GLU 7 1.159 -6.584 -5.890 48 H LEU 8 H LEU 8 1.862 -4.661 -3.226 49 HA LEU 8 HA LEU 8 4.204 -6.201 -2.221 50 1HB LEU 8 2HB LEU 8 4.219 -4.957 -0.115 51 2HB LEU 8 3HB LEU 8 4.688 -4.022 -1.534 52 HG LEU 8 HG LEU 8 2.502 -2.851 -1.528 53 1HD1 LEU 8 1HD1 LEU 8 2.172 -4.488 1.036 54 2HD1 LEU 8 2HD1 LEU 8 1.342 -2.939 0.798 55 3HD1 LEU 8 3HD1 LEU 8 0.999 -4.290 -0.269 56 1HD2 LEU 8 1HD2 LEU 8 4.010 -2.688 1.100 57 2HD2 LEU 8 2HD2 LEU 8 4.622 -2.067 -0.443 58 3HD2 LEU 8 3HD2 LEU 8 3.142 -1.388 0.246 59 H VAL 9 H VAL 9 3.834 -7.763 -0.749 60 HA VAL 9 HA VAL 9 1.004 -8.543 -0.334 61 HB VAL 9 HB VAL 9 2.564 -10.306 -0.956 62 1HG1 VAL 9 1HG1 VAL 9 4.206 -11.168 0.664 63 2HG1 VAL 9 2HG1 VAL 9 4.622 -9.547 0.104 64 3HG1 VAL 9 3HG1 VAL 9 3.923 -9.773 1.725 65 1HG2 VAL 9 1HG2 VAL 9 1.500 -10.641 1.876 66 2HG2 VAL 9 2HG2 VAL 9 0.532 -10.778 0.391 67 3HG2 VAL 9 3HG2 VAL 9 1.850 -11.921 0.703 68 H VAL 10 H VAL 10 0.086 -8.553 1.748 69 HA VAL 10 HA VAL 10 1.463 -6.922 3.823 70 HB VAL 10 HB VAL 10 -1.495 -6.952 3.089 71 1HG1 VAL 10 1HG1 VAL 10 -1.322 -6.466 5.436 72 2HG1 VAL 10 2HG1 VAL 10 0.117 -5.440 5.190 73 3HG1 VAL 10 3HG1 VAL 10 -1.473 -4.894 4.654 74 1HG2 VAL 10 1HG2 VAL 10 0.572 -4.763 2.693 75 2HG2 VAL 10 2HG2 VAL 10 -0.182 -5.719 1.388 76 3HG2 VAL 10 3HG2 VAL 10 -1.167 -4.625 2.363 77 H ARG 11 H ARG 11 0.795 -7.544 6.012 78 HA ARG 11 HA ARG 11 -1.161 -9.697 6.216 79 1HB ARG 11 2HB ARG 11 0.206 -10.819 8.023 80 2HB ARG 11 3HB ARG 11 0.717 -11.106 6.358 81 1HG ARG 11 2HG ARG 11 2.743 -10.218 6.622 82 2HG ARG 11 3HG ARG 11 2.146 -8.830 7.538 83 1HD ARG 11 2HD ARG 11 2.367 -11.618 8.732 84 2HD ARG 11 3HD ARG 11 3.653 -10.406 8.836 85 HE ARG 11 HE ARG 11 1.897 -8.840 9.814 86 1HH1 ARG 11 2HH2 ARG 11 1.916 -12.290 10.623 87 2HH1 ARG 11 1HH2 ARG 11 1.328 -12.012 12.237 88 1HH2 ARG 11 2HH1 ARG 11 1.444 -8.493 11.804 89 2HH2 ARG 11 1HH1 ARG 11 0.992 -9.717 12.968 90 H GLY 12 H GLY 12 -2.454 -9.431 7.912 91 1HA GLY 12 2HA GLY 12 -2.692 -8.592 10.274 92 2HA GLY 12 1HA GLY 12 -2.013 -7.065 9.707 93 H MET 13 H MET 13 -3.336 -7.234 7.058 94 HA MET 13 HA MET 13 -5.854 -6.007 7.514 95 1HB MET 13 2HB MET 13 -4.712 -7.545 5.165 96 2HB MET 13 3HB MET 13 -6.276 -6.716 5.120 97 1HG MET 13 2HG MET 13 -5.288 -4.597 5.283 98 2HG MET 13 3HG MET 13 -3.718 -5.231 5.786 99 1HE MET 13 1HE MET 13 -6.331 -5.522 2.787 100 2HE MET 13 2HE MET 13 -5.270 -6.201 1.527 101 3HE MET 13 3HE MET 13 -5.616 -7.146 2.977 102 H THR 14 H THR 14 -7.520 -6.983 8.508 103 HA THR 14 HA THR 14 -8.163 -9.845 7.900 104 HB THR 14 HB THR 14 -7.133 -9.470 10.090 105 HG1 THR 14 1HG THR 14 -8.702 -10.603 11.223 106 1HG2 THR 14 1HG2 THR 14 -8.361 -8.331 11.888 107 2HG2 THR 14 2HG2 THR 14 -7.923 -7.188 10.617 108 3HG2 THR 14 3HG2 THR 14 -9.596 -7.787 10.740 109 H CYS 15 H CYS 15 -9.410 -6.567 7.869 110 HA CYS 15 HA CYS 15 -12.102 -7.533 7.137 111 1HB CYS 15 2HB CYS 15 -12.320 -7.504 9.542 112 2HB CYS 15 3HB CYS 15 -11.420 -5.984 9.671 113 HG CYS 15 HG CYS 15 -13.842 -5.443 10.240 114 H ALA 16 H ALA 16 -13.304 -5.937 6.093 115 HA ALA 16 HA ALA 16 -12.458 -4.157 4.321 116 1HB ALA 16 1HB ALA 16 -14.800 -4.716 4.682 117 2HB ALA 16 2HB ALA 16 -14.830 -3.747 6.173 118 3HB ALA 16 3HB ALA 16 -14.586 -2.955 4.604 119 H SER 17 H SER 17 -12.985 -3.292 7.728 120 HA SER 17 HA SER 17 -12.332 -0.659 8.016 121 1HB SER 17 2HB SER 17 -11.324 -1.367 10.157 122 2HB SER 17 3HB SER 17 -12.899 -2.113 9.805 123 HG SER 17 HG SER 17 -11.510 -3.884 8.837 124 H CYS 18 H CYS 18 -9.915 -3.288 7.903 125 HA CYS 18 HA CYS 18 -7.578 -1.657 8.191 126 1HB CYS 18 2HB CYS 18 -7.939 -4.447 6.961 127 2HB CYS 18 3HB CYS 18 -6.400 -3.720 7.441 128 HG CYS 18 HG CYS 18 -8.995 -4.132 9.452 129 H VAL 19 H VAL 19 -9.338 -3.177 5.540 130 HA VAL 19 HA VAL 19 -7.688 -2.545 3.458 131 HB VAL 19 HB VAL 19 -10.528 -3.304 3.768 132 1HG1 VAL 19 1HG1 VAL 19 -9.610 -2.128 1.146 133 2HG1 VAL 19 2HG1 VAL 19 -10.988 -3.237 1.343 134 3HG1 VAL 19 3HG1 VAL 19 -11.021 -1.669 2.140 135 1HG2 VAL 19 1HG2 VAL 19 -9.999 -5.131 2.456 136 2HG2 VAL 19 2HG2 VAL 19 -8.453 -4.449 1.942 137 3HG2 VAL 19 3HG2 VAL 19 -8.695 -4.926 3.643 138 H HIS 20 H HIS 20 -10.693 -0.678 4.278 139 HA HIS 20 HA HIS 20 -9.852 1.405 2.496 140 1HB HIS 20 2HB HIS 20 -11.763 2.549 2.878 141 2HB HIS 20 3HB HIS 20 -12.239 0.863 3.087 142 HD1 HIS 20 1HD HIS 20 -13.231 3.912 4.517 143 HD2 HIS 20 2HD HIS 20 -11.803 0.292 6.032 144 HE1 HIS 20 1HE HIS 20 -14.068 3.734 6.943 145 H LYS 21 H LYS 21 -9.251 0.882 5.957 146 HA LYS 21 HA LYS 21 -8.378 3.489 6.578 147 1HB LYS 21 2HB LYS 21 -8.664 1.750 8.281 148 2HB LYS 21 3HB LYS 21 -7.356 0.802 7.579 149 1HG LYS 21 2HG LYS 21 -6.644 1.972 9.600 150 2HG LYS 21 3HG LYS 21 -5.709 2.460 8.193 151 1HD LYS 21 2HD LYS 21 -6.244 4.359 9.629 152 2HD LYS 21 3HD LYS 21 -6.936 4.565 8.017 153 1HE LYS 21 2HE LYS 21 -9.177 3.874 8.875 154 2HE LYS 21 3HE LYS 21 -8.475 3.535 10.466 155 1HZ LYS 21 1HZ LYS 21 -9.580 5.643 10.392 156 2HZ LYS 21 2HZ LYS 21 -7.976 5.877 10.659 157 3HZ LYS 21 3HZ LYS 21 -8.620 6.178 9.171 158 H ILE 22 H ILE 22 -6.487 0.703 5.223 159 HA ILE 22 HA ILE 22 -4.020 2.106 4.892 160 HB ILE 22 HB ILE 22 -5.276 -0.169 3.312 161 1HG1 ILE 22 2HG1 ILE 22 -2.975 -0.201 5.309 162 2HG1 ILE 22 3HG1 ILE 22 -4.670 -0.488 5.735 163 1HG2 ILE 22 1HG2 ILE 22 -2.936 -0.574 2.436 164 2HG2 ILE 22 2HG2 ILE 22 -3.675 0.888 1.813 165 3HG2 ILE 22 3HG2 ILE 22 -2.470 0.997 3.116 166 1HD1 ILE 22 1HD1 ILE 22 -4.759 -2.372 4.110 167 2HD1 ILE 22 2HD1 ILE 22 -2.990 -2.226 3.917 168 3HD1 ILE 22 3HD1 ILE 22 -3.683 -2.621 5.492 169 H GLU 23 H GLU 23 -6.618 1.515 2.471 170 HA GLU 23 HA GLU 23 -5.426 2.985 0.430 171 1HB GLU 23 2HB GLU 23 -8.360 2.402 1.005 172 2HB GLU 23 3HB GLU 23 -7.777 3.051 -0.528 173 1HG GLU 23 2HG GLU 23 -6.263 1.112 -0.813 174 2HG GLU 23 3HG GLU 23 -6.820 0.424 0.717 175 H SER 24 H SER 24 -7.872 4.169 2.766 176 HA SER 24 HA SER 24 -7.936 6.858 1.851 177 1HB SER 24 2HB SER 24 -9.608 5.783 3.367 178 2HB SER 24 3HB SER 24 -8.412 5.801 4.672 179 HG SER 24 HG SER 24 -8.371 8.224 3.997 180 H SER 25 H SER 25 -5.813 5.231 4.282 181 HA SER 25 HA SER 25 -4.601 7.684 5.189 182 1HB SER 25 2HB SER 25 -4.627 5.532 6.437 183 2HB SER 25 3HB SER 25 -3.452 4.871 5.257 184 HG SER 25 HG SER 25 -3.058 7.185 6.877 185 H LEU 26 H LEU 26 -3.794 5.389 2.559 186 HA LEU 26 HA LEU 26 -1.363 6.831 2.008 187 1HB LEU 26 2HB LEU 26 -2.773 4.976 0.123 188 2HB LEU 26 3HB LEU 26 -1.086 5.588 0.088 189 HG LEU 26 HG LEU 26 -1.995 4.008 2.465 190 1HD1 LEU 26 1HD1 LEU 26 -1.145 1.971 1.266 191 2HD1 LEU 26 2HD1 LEU 26 -2.630 2.634 0.550 192 3HD1 LEU 26 3HD1 LEU 26 -1.067 2.946 -0.223 193 1HD2 LEU 26 1HD2 LEU 26 0.151 5.127 2.634 194 2HD2 LEU 26 2HD2 LEU 26 0.400 3.385 2.501 195 3HD2 LEU 26 3HD2 LEU 26 0.681 4.428 1.091 196 H THR 27 H THR 27 -4.581 6.738 0.370 197 HA THR 27 HA THR 27 -3.919 8.664 -1.593 198 HB THR 27 HB THR 27 -6.660 7.823 -0.589 199 HG1 THR 27 1HG THR 27 -6.335 6.337 -2.401 200 1HG2 THR 27 1HG2 THR 27 -5.701 8.898 -3.294 201 2HG2 THR 27 2HG2 THR 27 -7.341 8.321 -2.930 202 3HG2 THR 27 3HG2 THR 27 -6.729 9.781 -2.145 203 H LYS 28 H LYS 28 -2.894 10.135 -0.285 204 HA LYS 28 HA LYS 28 -4.161 12.594 0.350 205 1HB LYS 28 2HB LYS 28 -3.866 12.664 2.755 206 2HB LYS 28 3HB LYS 28 -5.035 11.417 2.325 207 1HG LYS 28 2HG LYS 28 -3.899 10.125 3.747 208 2HG LYS 28 3HG LYS 28 -2.838 9.905 2.377 209 1HD LYS 28 2HD LYS 28 -1.291 10.352 3.978 210 2HD LYS 28 3HD LYS 28 -1.504 11.987 3.361 211 1HE LYS 28 2HE LYS 28 -2.774 10.732 5.847 212 2HE LYS 28 3HE LYS 28 -1.490 11.947 5.824 213 1HZ LYS 28 1HZ LYS 28 -3.053 13.489 4.841 214 2HZ LYS 28 2HZ LYS 28 -4.242 12.352 4.862 215 3HZ LYS 28 3HZ LYS 28 -3.628 12.926 6.278 216 H HIS 29 H HIS 29 -1.281 10.399 0.759 217 HA HIS 29 HA HIS 29 0.560 12.335 1.540 218 1HB HIS 29 2HB HIS 29 1.083 10.099 -0.452 219 2HB HIS 29 3HB HIS 29 2.274 10.978 0.509 220 HD1 HIS 29 1HD HIS 29 2.152 10.504 3.265 221 HD2 HIS 29 2HD HIS 29 0.219 7.878 0.609 222 HE1 HIS 29 1HE HIS 29 1.776 8.278 4.496 223 H ARG 30 H ARG 30 -0.852 11.946 -1.657 224 HA ARG 30 HA ARG 30 -0.651 13.058 -3.586 225 1HB ARG 30 2HB ARG 30 -0.758 15.032 -1.918 226 2HB ARG 30 3HB ARG 30 0.960 15.238 -2.212 227 1HG ARG 30 2HG ARG 30 -0.378 15.066 -4.783 228 2HG ARG 30 3HG ARG 30 -1.333 16.132 -3.750 229 1HD ARG 30 2HD ARG 30 0.331 17.434 -4.997 230 2HD ARG 30 3HD ARG 30 0.689 17.481 -3.255 231 HE ARG 30 HE ARG 30 1.928 15.296 -4.759 232 1HH1 ARG 30 2HH2 ARG 30 2.676 18.562 -3.686 233 2HH1 ARG 30 1HH2 ARG 30 4.265 18.137 -3.107 234 1HH2 ARG 30 2HH1 ARG 30 3.751 14.686 -3.919 235 2HH2 ARG 30 1HH1 ARG 30 4.985 15.802 -3.358 236 H GLY 31 H GLY 31 1.207 11.035 -2.853 237 1HA GLY 31 2HA GLY 31 2.948 11.500 -5.200 238 2HA GLY 31 1HA GLY 31 3.731 10.944 -3.715 239 H ILE 32 H ILE 32 0.658 9.672 -3.723 240 HA ILE 32 HA ILE 32 1.416 7.147 -5.054 241 HB ILE 32 HB ILE 32 0.990 6.705 -2.799 242 1HG1 ILE 32 2HG1 ILE 32 -1.568 6.087 -4.349 243 2HG1 ILE 32 3HG1 ILE 32 -0.017 5.247 -4.514 244 1HG2 ILE 32 1HG2 ILE 32 -0.140 8.766 -2.079 245 2HG2 ILE 32 2HG2 ILE 32 -1.628 8.238 -2.909 246 3HG2 ILE 32 3HG2 ILE 32 -0.955 7.313 -1.548 247 1HD1 ILE 32 1HD1 ILE 32 -1.818 5.325 -2.087 248 2HD1 ILE 32 2HD1 ILE 32 -1.361 3.931 -3.062 249 3HD1 ILE 32 3HD1 ILE 32 -0.137 4.708 -2.043 250 H LEU 33 H LEU 33 0.334 6.713 -6.892 251 HA LEU 33 HA LEU 33 -1.597 8.666 -8.010 252 1HB LEU 33 2HB LEU 33 -0.309 6.126 -9.116 253 2HB LEU 33 3HB LEU 33 -1.351 7.215 -10.029 254 HG LEU 33 HG LEU 33 1.326 8.052 -8.819 255 1HD1 LEU 33 1HD1 LEU 33 2.200 7.845 -11.116 256 2HD1 LEU 33 2HD1 LEU 33 1.649 6.282 -10.493 257 3HD1 LEU 33 3HD1 LEU 33 0.646 7.177 -11.657 258 1HD2 LEU 33 1HD2 LEU 33 -0.553 9.359 -10.850 259 2HD2 LEU 33 2HD2 LEU 33 -0.154 9.965 -9.225 260 3HD2 LEU 33 3HD2 LEU 33 1.086 9.926 -10.481 261 H TYR 34 H TYR 34 -1.409 5.228 -6.949 262 HA TYR 34 HA TYR 34 -4.313 5.266 -6.687 263 1HB TYR 34 2HB TYR 34 -3.693 4.669 -9.146 264 2HB TYR 34 3HB TYR 34 -2.967 3.200 -8.477 265 HD1 TYR 34 HD1 TYR 34 -4.324 1.281 -8.563 266 HD2 TYR 34 HD2 TYR 34 -6.145 5.167 -8.122 267 HE1 TYR 34 HE1 TYR 34 -6.549 0.232 -8.384 268 HE2 TYR 34 HE2 TYR 34 -8.293 4.127 -7.678 269 HH TYR 34 HH TYR 34 -9.466 2.089 -7.479 270 H CYS 35 H CYS 35 -5.136 3.417 -5.597 271 HA CYS 35 HA CYS 35 -3.224 1.671 -4.206 272 1HB CYS 35 2HB CYS 35 -4.173 2.170 -2.039 273 2HB CYS 35 3HB CYS 35 -3.596 3.687 -2.753 274 HG CYS 35 HG CYS 35 -5.692 4.323 -1.544 275 H SER 36 H SER 36 -4.027 -0.337 -4.148 276 HA SER 36 HA SER 36 -6.926 -0.855 -4.160 277 1HB SER 36 2HB SER 36 -6.788 -0.962 -6.407 278 2HB SER 36 3HB SER 36 -5.070 -1.367 -6.428 279 HG SER 36 HG SER 36 -5.695 -3.463 -5.635 280 H VAL 37 H VAL 37 -6.643 -1.576 -2.018 281 HA VAL 37 HA VAL 37 -4.619 -3.679 -1.575 282 HB VAL 37 HB VAL 37 -4.872 -1.518 -0.114 283 1HG1 VAL 37 1HG1 VAL 37 -7.269 -1.992 0.572 284 2HG1 VAL 37 2HG1 VAL 37 -6.604 -3.355 1.520 285 3HG1 VAL 37 3HG1 VAL 37 -6.097 -1.709 1.874 286 1HG2 VAL 37 1HG2 VAL 37 -3.174 -3.125 0.220 287 2HG2 VAL 37 2HG2 VAL 37 -3.935 -2.858 1.788 288 3HG2 VAL 37 3HG2 VAL 37 -4.307 -4.320 0.840 289 H ALA 38 H ALA 38 -5.284 -5.541 -2.358 290 HA ALA 38 HA ALA 38 -8.170 -6.185 -2.256 291 1HB ALA 38 1HB ALA 38 -5.814 -7.399 -3.721 292 2HB ALA 38 2HB ALA 38 -7.501 -7.980 -3.820 293 3HB ALA 38 3HB ALA 38 -7.078 -6.352 -4.389 294 H LEU 39 H LEU 39 -8.396 -6.637 -0.076 295 HA LEU 39 HA LEU 39 -7.064 -8.224 1.662 296 1HB LEU 39 2HB LEU 39 -9.572 -7.152 1.593 297 2HB LEU 39 3HB LEU 39 -9.989 -8.854 1.495 298 HG LEU 39 HG LEU 39 -8.322 -7.489 3.657 299 1HD1 LEU 39 1HD1 LEU 39 -10.240 -8.002 5.114 300 2HD1 LEU 39 2HD1 LEU 39 -10.752 -6.994 3.752 301 3HD1 LEU 39 3HD1 LEU 39 -11.104 -8.734 3.748 302 1HD2 LEU 39 1HD2 LEU 39 -9.150 -10.414 3.404 303 2HD2 LEU 39 2HD2 LEU 39 -7.495 -9.763 3.461 304 3HD2 LEU 39 3HD2 LEU 39 -8.521 -9.668 4.889 305 H ALA 40 H ALA 40 -9.020 -9.410 -1.023 306 HA ALA 40 HA ALA 40 -9.197 -12.147 -0.434 307 1HB ALA 40 1HB ALA 40 -9.520 -12.439 -2.862 308 2HB ALA 40 2HB ALA 40 -10.424 -11.031 -2.263 309 3HB ALA 40 3HB ALA 40 -8.898 -10.801 -3.154 310 H THR 41 H THR 41 -6.467 -10.301 -1.709 311 HA THR 41 HA THR 41 -4.796 -12.777 -1.847 312 HB THR 41 HB THR 41 -5.203 -11.989 -4.065 313 HG1 THR 41 1HG THR 41 -2.672 -11.365 -3.013 314 1HG2 THR 41 1HG2 THR 41 -4.385 -9.222 -3.193 315 2HG2 THR 41 2HG2 THR 41 -4.665 -9.776 -4.867 316 3HG2 THR 41 3HG2 THR 41 -5.994 -9.771 -3.724 317 H ASN 42 H ASN 42 -5.510 -10.590 0.252 318 HA ASN 42 HA ASN 42 -4.583 -8.960 1.493 319 1HB ASN 42 2HB ASN 42 -4.153 -11.469 2.365 320 2HB ASN 42 3HB ASN 42 -2.484 -10.933 2.353 321 1HD2 ASN 42 1HD2 ASN 42 -5.565 -10.792 3.922 322 2HD2 ASN 42 2HD2 ASN 42 -5.148 -9.701 5.226 323 H LYS 43 H LYS 43 -3.816 -8.035 -0.785 324 HA LYS 43 HA LYS 43 -0.963 -7.287 -0.482 325 1HB LYS 43 2HB LYS 43 -0.554 -8.828 -2.103 326 2HB LYS 43 3HB LYS 43 -2.189 -8.842 -2.714 327 1HG LYS 43 2HG LYS 43 -0.389 -6.489 -3.362 328 2HG LYS 43 3HG LYS 43 -0.274 -7.994 -4.208 329 1HD LYS 43 2HD LYS 43 -3.061 -6.817 -3.889 330 2HD LYS 43 3HD LYS 43 -1.944 -6.039 -5.029 331 1HE LYS 43 2HE LYS 43 -2.563 -8.998 -5.024 332 2HE LYS 43 3HE LYS 43 -3.451 -7.820 -6.012 333 1HZ LYS 43 1HZ LYS 43 -0.550 -8.371 -6.175 334 2HZ LYS 43 2HZ LYS 43 -1.586 -8.920 -7.213 335 3HZ LYS 43 3HZ LYS 43 -1.329 -7.267 -7.108 336 H ALA 44 H ALA 44 -0.403 -5.350 -1.443 337 HA ALA 44 HA ALA 44 -2.642 -3.483 -2.087 338 1HB ALA 44 1HB ALA 44 0.094 -2.479 -1.398 339 2HB ALA 44 2HB ALA 44 -1.492 -1.711 -1.247 340 3HB ALA 44 3HB ALA 44 -1.001 -2.949 -0.082 341 H HIS 45 H HIS 45 -2.881 -3.445 -4.214 342 HA HIS 45 HA HIS 45 -0.488 -3.153 -6.001 343 1HB HIS 45 2HB HIS 45 -2.661 -4.365 -6.743 344 2HB HIS 45 3HB HIS 45 -3.407 -2.763 -6.682 345 HD1 HIS 45 1HD HIS 45 -1.631 -4.926 -8.985 346 HD2 HIS 45 2HD HIS 45 -1.444 -0.956 -8.015 347 HE1 HIS 45 1HE HIS 45 -0.718 -3.780 -11.077 348 H ILE 46 H ILE 46 0.506 -1.398 -5.203 349 HA ILE 46 HA ILE 46 -1.129 1.103 -5.099 350 HB ILE 46 HB ILE 46 1.429 0.262 -3.731 351 1HG1 ILE 46 2HG1 ILE 46 -1.117 1.607 -2.725 352 2HG1 ILE 46 3HG1 ILE 46 -0.917 -0.143 -2.807 353 1HG2 ILE 46 1HG2 ILE 46 0.396 3.073 -4.213 354 2HG2 ILE 46 2HG2 ILE 46 1.598 2.669 -2.975 355 3HG2 ILE 46 3HG2 ILE 46 1.977 2.433 -4.680 356 1HD1 ILE 46 1HD1 ILE 46 0.658 1.776 -1.110 357 2HD1 ILE 46 2HD1 ILE 46 -0.434 0.484 -0.588 358 3HD1 ILE 46 3HD1 ILE 46 1.122 0.068 -1.337 359 H LYS 47 H LYS 47 -0.461 2.782 -6.394 360 HA LYS 47 HA LYS 47 1.703 2.189 -8.320 361 1HB LYS 47 2HB LYS 47 -0.890 3.623 -8.916 362 2HB LYS 47 3HB LYS 47 0.503 3.491 -10.007 363 1HG LYS 47 2HG LYS 47 0.249 1.041 -10.019 364 2HG LYS 47 3HG LYS 47 -1.202 1.182 -8.998 365 1HD LYS 47 2HD LYS 47 -2.297 2.623 -10.700 366 2HD LYS 47 3HD LYS 47 -0.861 2.541 -11.715 367 1HE LYS 47 2HE LYS 47 -2.726 0.241 -10.999 368 2HE LYS 47 3HE LYS 47 -2.534 1.040 -12.569 369 1HZ LYS 47 1HZ LYS 47 -1.273 -0.870 -12.740 370 2HZ LYS 47 2HZ LYS 47 -0.146 0.283 -12.388 371 3HZ LYS 47 3HZ LYS 47 -0.687 -0.769 -11.202 372 H TYR 48 H TYR 48 3.189 3.995 -8.236 373 HA TYR 48 HA TYR 48 2.352 6.500 -6.918 374 1HB TYR 48 2HB TYR 48 3.774 6.335 -5.057 375 2HB TYR 48 3HB TYR 48 3.040 4.746 -5.128 376 HD1 TYR 48 HD1 TYR 48 4.442 2.996 -6.650 377 HD2 TYR 48 HD2 TYR 48 6.118 6.521 -4.866 378 HE1 TYR 48 HE1 TYR 48 6.716 2.033 -6.867 379 HE2 TYR 48 HE2 TYR 48 8.340 5.449 -4.807 380 HH TYR 48 HH TYR 48 8.925 2.240 -6.282 381 H ASP 49 H ASP 49 4.251 8.014 -6.672 382 HA ASP 49 HA ASP 49 5.678 8.074 -9.283 383 1HB ASP 49 2HB ASP 49 4.914 10.171 -7.266 384 2HB ASP 49 3HB ASP 49 5.812 10.465 -8.785 385 HA PRO 50 HA PRO 50 9.188 7.260 -6.283 386 1HB PRO 50 2HB PRO 50 10.869 5.933 -7.980 387 2HB PRO 50 3HB PRO 50 9.458 5.168 -7.227 388 1HG PRO 50 2HG PRO 50 9.584 6.429 -9.978 389 2HG PRO 50 3HG PRO 50 9.032 4.775 -9.563 390 1HD PRO 50 2HD PRO 50 7.259 6.755 -9.871 391 2HD PRO 50 3HD PRO 50 7.070 5.612 -8.505 392 H GLU 51 H GLU 51 8.934 9.634 -6.702 393 HA GLU 51 HA GLU 51 11.397 10.929 -7.643 394 1HB GLU 51 2HB GLU 51 8.618 11.492 -8.818 395 2HB GLU 51 3HB GLU 51 9.956 12.639 -8.900 396 1HG GLU 51 2HG GLU 51 10.036 9.854 -10.144 397 2HG GLU 51 3HG GLU 51 9.585 11.334 -10.984 398 H ILE 52 H ILE 52 7.987 11.361 -6.641 399 HA ILE 52 HA ILE 52 8.731 13.601 -4.839 400 HB ILE 52 HB ILE 52 6.297 14.081 -4.891 401 1HG1 ILE 52 2HG1 ILE 52 6.177 11.936 -7.028 402 2HG1 ILE 52 3HG1 ILE 52 5.427 11.824 -5.424 403 1HG2 ILE 52 1HG2 ILE 52 7.498 13.821 -7.666 404 2HG2 ILE 52 2HG2 ILE 52 6.394 15.092 -7.084 405 3HG2 ILE 52 3HG2 ILE 52 8.056 15.028 -6.482 406 1HD1 ILE 52 1HD1 ILE 52 4.046 13.860 -6.045 407 2HD1 ILE 52 2HD1 ILE 52 4.730 13.763 -7.684 408 3HD1 ILE 52 3HD1 ILE 52 3.747 12.444 -7.074 409 H ILE 53 H ILE 53 7.944 10.235 -4.701 410 HA ILE 53 HA ILE 53 8.085 10.440 -1.810 411 HB ILE 53 HB ILE 53 5.611 10.635 -2.581 412 1HG1 ILE 53 2HG1 ILE 53 6.292 8.435 -0.667 413 2HG1 ILE 53 3HG1 ILE 53 6.340 10.178 -0.323 414 1HG2 ILE 53 1HG2 ILE 53 5.944 7.638 -2.972 415 2HG2 ILE 53 2HG2 ILE 53 4.466 8.574 -3.157 416 3HG2 ILE 53 3HG2 ILE 53 5.785 8.850 -4.312 417 1HD1 ILE 53 1HD1 ILE 53 4.262 9.341 0.532 418 2HD1 ILE 53 2HD1 ILE 53 3.936 10.356 -0.893 419 3HD1 ILE 53 3HD1 ILE 53 3.842 8.586 -1.012 420 H GLY 54 H GLY 54 9.011 8.525 -0.977 421 1HA GLY 54 2HA GLY 54 10.220 6.734 -3.005 422 2HA GLY 54 1HA GLY 54 10.602 6.821 -1.284 423 HA PRO 55 HA PRO 55 7.522 3.307 -2.157 424 1HB PRO 55 2HB PRO 55 9.204 1.134 -1.884 425 2HB PRO 55 3HB PRO 55 8.837 1.939 -3.430 426 1HG PRO 55 2HG PRO 55 11.268 2.320 -1.681 427 2HG PRO 55 3HG PRO 55 11.189 2.163 -3.461 428 1HD PRO 55 2HD PRO 55 11.402 4.592 -2.210 429 2HD PRO 55 3HD PRO 55 10.481 4.382 -3.728 430 H ARG 56 H ARG 56 10.384 3.353 0.071 431 HA ARG 56 HA ARG 56 9.022 1.902 2.099 432 1HB ARG 56 2HB ARG 56 11.608 2.509 1.799 433 2HB ARG 56 3HB ARG 56 11.179 3.730 2.998 434 1HG ARG 56 2HG ARG 56 10.822 0.687 3.211 435 2HG ARG 56 3HG ARG 56 12.028 1.667 4.052 436 1HD ARG 56 2HD ARG 56 10.094 2.895 5.188 437 2HD ARG 56 3HD ARG 56 9.013 1.703 4.439 438 HE ARG 56 HE ARG 56 9.290 0.260 6.002 439 1HH1 ARG 56 2HH2 ARG 56 12.057 2.392 6.203 440 2HH1 ARG 56 1HH2 ARG 56 12.388 2.059 7.883 441 1HH2 ARG 56 2HH1 ARG 56 9.588 -0.140 8.201 442 2HH2 ARG 56 1HH1 ARG 56 10.986 0.466 9.020 443 H ASP 57 H ASP 57 8.952 5.413 1.307 444 HA ASP 57 HA ASP 57 7.701 6.354 3.559 445 1HB ASP 57 2HB ASP 57 6.750 6.983 0.772 446 2HB ASP 57 3HB ASP 57 6.791 8.066 2.159 447 H ILE 58 H ILE 58 6.097 4.877 0.688 448 HA ILE 58 HA ILE 58 3.454 4.737 1.792 449 HB ILE 58 HB ILE 58 4.879 3.259 -0.461 450 1HG1 ILE 58 2HG1 ILE 58 2.897 4.212 -1.727 451 2HG1 ILE 58 3HG1 ILE 58 2.505 5.154 -0.288 452 1HG2 ILE 58 1HG2 ILE 58 2.104 2.592 0.523 453 2HG2 ILE 58 2HG2 ILE 58 2.858 2.070 -1.010 454 3HG2 ILE 58 3HG2 ILE 58 3.507 1.498 0.504 455 1HD1 ILE 58 1HD1 ILE 58 5.142 5.248 -1.834 456 2HD1 ILE 58 2HD1 ILE 58 3.799 6.388 -2.026 457 3HD1 ILE 58 3HD1 ILE 58 4.681 6.320 -0.486 458 H ILE 59 H ILE 59 6.048 2.312 1.600 459 HA ILE 59 HA ILE 59 4.563 0.264 2.909 460 HB ILE 59 HB ILE 59 7.572 0.565 2.955 461 1HG1 ILE 59 2HG1 ILE 59 5.935 -1.183 1.101 462 2HG1 ILE 59 3HG1 ILE 59 6.290 0.469 0.628 463 1HG2 ILE 59 1HG2 ILE 59 7.575 -1.893 3.294 464 2HG2 ILE 59 2HG2 ILE 59 6.731 -1.092 4.609 465 3HG2 ILE 59 3HG2 ILE 59 5.800 -1.890 3.339 466 1HD1 ILE 59 1HD1 ILE 59 7.896 -1.008 -0.371 467 2HD1 ILE 59 2HD1 ILE 59 8.720 0.011 0.822 468 3HD1 ILE 59 3HD1 ILE 59 8.357 -1.688 1.200 469 H HIS 60 H HIS 60 6.685 2.733 4.358 470 HA HIS 60 HA HIS 60 6.572 1.836 7.046 471 1HB HIS 60 2HB HIS 60 8.241 3.443 6.194 472 2HB HIS 60 3HB HIS 60 6.975 4.655 5.962 473 HD1 HIS 60 1HD HIS 60 6.030 5.767 8.275 474 HD2 HIS 60 2HD HIS 60 9.062 2.874 8.649 475 HE1 HIS 60 1HE HIS 60 6.877 5.904 10.682 476 H THR 61 H THR 61 4.477 3.942 5.038 477 HA THR 61 HA THR 61 2.808 4.791 7.215 478 HB THR 61 HB THR 61 1.956 4.392 4.321 479 HG1 THR 61 1HG THR 61 3.792 5.748 4.508 480 1HG2 THR 61 1HG2 THR 61 0.091 4.727 5.926 481 2HG2 THR 61 2HG2 THR 61 0.906 6.169 6.567 482 3HG2 THR 61 3HG2 THR 61 0.319 6.144 4.894 483 H ILE 62 H ILE 62 2.608 1.985 4.957 484 HA ILE 62 HA ILE 62 0.300 0.811 6.125 485 HB ILE 62 HB ILE 62 2.584 -0.458 4.581 486 1HG1 ILE 62 2HG1 ILE 62 -0.204 0.497 3.789 487 2HG1 ILE 62 3HG1 ILE 62 1.322 1.294 3.388 488 1HG2 ILE 62 1HG2 ILE 62 1.107 -2.373 4.212 489 2HG2 ILE 62 2HG2 ILE 62 1.375 -2.170 5.932 490 3HG2 ILE 62 3HG2 ILE 62 -0.158 -1.628 5.210 491 1HD1 ILE 62 1HD1 ILE 62 0.332 -1.368 2.351 492 2HD1 ILE 62 2HD1 ILE 62 0.713 0.109 1.456 493 3HD1 ILE 62 3HD1 ILE 62 2.025 -0.825 2.199 494 H GLU 63 H GLU 63 3.763 0.084 6.853 495 HA GLU 63 HA GLU 63 3.493 -1.639 9.039 496 1HB GLU 63 2HB GLU 63 5.433 0.687 8.686 497 2HB GLU 63 3HB GLU 63 5.601 -0.589 9.880 498 1HG GLU 63 2HG GLU 63 5.979 -2.264 8.208 499 2HG GLU 63 3HG GLU 63 5.554 -1.169 6.893 500 H SER 64 H SER 64 3.463 1.906 9.016 501 HA SER 64 HA SER 64 3.104 2.231 11.817 502 1HB SER 64 2HB SER 64 4.273 3.846 10.402 503 2HB SER 64 3HB SER 64 2.775 4.208 9.530 504 HG SER 64 HG SER 64 2.011 4.641 11.864 505 H LEU 65 H LEU 65 0.691 1.418 9.446 506 HA LEU 65 HA LEU 65 -1.456 2.291 11.321 507 1HB LEU 65 2HB LEU 65 -1.468 0.599 8.800 508 2HB LEU 65 3HB LEU 65 -2.834 0.685 9.921 509 HG LEU 65 HG LEU 65 -3.319 2.088 8.121 510 1HD1 LEU 65 1HD1 LEU 65 -3.780 4.190 9.179 511 2HD1 LEU 65 2HD1 LEU 65 -3.918 2.924 10.419 512 3HD1 LEU 65 3HD1 LEU 65 -2.478 3.972 10.353 513 1HD2 LEU 65 1HD2 LEU 65 -0.781 3.669 8.588 514 2HD2 LEU 65 2HD2 LEU 65 -1.055 2.496 7.266 515 3HD2 LEU 65 3HD2 LEU 65 -2.025 3.970 7.368 516 H GLY 66 H GLY 66 -1.326 -1.054 10.180 517 1HA GLY 66 2HA GLY 66 0.013 -1.988 12.587 518 2HA GLY 66 1HA GLY 66 -1.738 -2.271 12.619 519 H PHE 67 H PHE 67 0.415 -2.347 9.717 520 HA PHE 67 HA PHE 67 -0.105 -5.286 9.520 521 1HB PHE 67 2HB PHE 67 -0.208 -3.586 7.061 522 2HB PHE 67 3HB PHE 67 -0.982 -5.118 7.421 523 HD1 PHE 67 1HD PHE 67 -1.371 -1.539 7.247 524 HD2 PHE 67 2HD PHE 67 -2.831 -4.979 9.361 525 HE1 PHE 67 1HE PHE 67 -3.489 -0.351 7.731 526 HE2 PHE 67 2HE PHE 67 -4.908 -3.783 9.901 527 HZ PHE 67 HZ PHE 67 -5.312 -1.499 8.930 528 H GLU 68 H GLU 68 1.838 -6.405 9.143 529 HA GLU 68 HA GLU 68 4.179 -4.873 8.229 530 1HB GLU 68 2HB GLU 68 3.887 -7.875 8.659 531 2HB GLU 68 3HB GLU 68 5.364 -6.929 8.489 532 1HG GLU 68 2HG GLU 68 5.305 -7.092 10.771 533 2HG GLU 68 3HG GLU 68 4.383 -5.599 10.597 534 H ALA 69 H ALA 69 5.310 -5.446 6.159 535 HA ALA 69 HA ALA 69 3.668 -6.774 4.137 536 1HB ALA 69 1HB ALA 69 4.313 -3.783 4.077 537 2HB ALA 69 2HB ALA 69 3.652 -4.699 2.711 538 3HB ALA 69 3HB ALA 69 2.693 -4.503 4.192 539 H SER 70 H SER 70 4.716 -6.825 2.016 540 HA SER 70 HA SER 70 7.654 -6.465 2.034 541 1HB SER 70 2HB SER 70 6.839 -8.850 2.852 542 2HB SER 70 3HB SER 70 6.516 -9.132 1.150 543 HG SER 70 HG SER 70 8.674 -8.716 0.677 544 H LEU 71 H LEU 71 8.238 -5.641 0.103 545 HA LEU 71 HA LEU 71 6.408 -5.191 -2.084 546 1HB LEU 71 2HB LEU 71 8.644 -3.996 -1.156 547 2HB LEU 71 3HB LEU 71 9.407 -5.008 -2.375 548 HG LEU 71 HG LEU 71 7.165 -2.973 -2.821 549 1HD1 LEU 71 1HD1 LEU 71 10.166 -2.824 -3.358 550 2HD1 LEU 71 2HD1 LEU 71 8.982 -1.602 -3.856 551 3HD1 LEU 71 3HD1 LEU 71 9.265 -1.899 -2.138 552 1HD2 LEU 71 1HD2 LEU 71 8.832 -4.599 -4.793 553 2HD2 LEU 71 2HD2 LEU 71 7.061 -4.633 -4.566 554 3HD2 LEU 71 3HD2 LEU 71 7.833 -3.203 -5.249 555 H VAL 72 H VAL 72 5.830 -6.698 -3.644 556 HA VAL 72 HA VAL 72 7.548 -9.143 -3.904 557 HB VAL 72 HB VAL 72 5.617 -10.297 -4.718 558 1HG1 VAL 72 1HG1 VAL 72 4.361 -10.461 -2.670 559 2HG1 VAL 72 2HG1 VAL 72 6.079 -10.237 -2.288 560 3HG1 VAL 72 3HG1 VAL 72 4.949 -8.875 -2.138 561 1HG2 VAL 72 1HG2 VAL 72 3.379 -9.413 -4.740 562 2HG2 VAL 72 2HG2 VAL 72 3.924 -7.838 -4.159 563 3HG2 VAL 72 3HG2 VAL 72 4.380 -8.403 -5.786 564 H LYS 73 H LYS 73 7.613 -6.348 -5.280 565 HA LYS 73 HA LYS 73 8.306 -5.510 -7.214 566 1HB LYS 73 2HB LYS 73 9.780 -7.570 -7.157 567 2HB LYS 73 3HB LYS 73 8.697 -8.315 -8.330 568 1HG LYS 73 2HG LYS 73 10.270 -5.718 -8.705 569 2HG LYS 73 3HG LYS 73 10.695 -7.318 -9.333 570 1HD LYS 73 2HD LYS 73 8.441 -7.316 -10.536 571 2HD LYS 73 3HD LYS 73 8.330 -5.582 -10.139 572 1HE LYS 73 2HE LYS 73 10.458 -5.169 -11.336 573 2HE LYS 73 3HE LYS 73 10.573 -6.892 -11.740 574 1HZ LYS 73 1HZ LYS 73 8.409 -5.086 -12.603 575 2HZ LYS 73 2HZ LYS 73 9.648 -5.625 -13.542 576 3HZ LYS 73 3HZ LYS 73 8.528 -6.684 -12.974 577 H ILE 74 H ILE 74 6.413 -8.428 -8.294 578 HA ILE 74 HA ILE 74 4.204 -6.929 -9.141 579 HB ILE 74 HB ILE 74 6.064 -6.326 -10.911 580 1HG1 ILE 74 2HG1 ILE 74 4.621 -6.136 -12.746 581 2HG1 ILE 74 3HG1 ILE 74 3.487 -7.330 -12.137 582 1HG2 ILE 74 1HG2 ILE 74 6.469 -7.851 -12.699 583 2HG2 ILE 74 2HG2 ILE 74 6.787 -8.746 -11.199 584 3HG2 ILE 74 3HG2 ILE 74 5.284 -9.012 -12.095 585 1HD1 ILE 74 1HD1 ILE 74 2.743 -5.843 -10.381 586 2HD1 ILE 74 2HD1 ILE 74 4.116 -4.743 -10.654 587 3HD1 ILE 74 3HD1 ILE 74 2.824 -4.889 -11.865 588 H GLU 75 H GLU 75 2.833 -8.536 -10.743 589 HA GLU 75 HA GLU 75 3.298 -11.361 -10.134 590 1HB GLU 75 2HB GLU 75 0.741 -9.746 -9.740 591 2HB GLU 75 3HB GLU 75 0.786 -11.509 -9.793 592 1HG GLU 75 2HG GLU 75 1.899 -11.688 -7.709 593 2HG GLU 75 3HG GLU 75 2.488 -10.022 -7.760 Start of MODEL 20 1 1H MET 1 H1 MET 1 9.013 8.194 -13.130 2 2H MET 1 H2 MET 1 9.326 9.805 -12.798 3 3H MET 1 H3 MET 1 8.026 9.047 -12.151 4 HA MET 1 HA MET 1 7.157 10.322 -13.835 5 1HB MET 1 2HB MET 1 9.521 10.359 -14.971 6 2HB MET 1 3HB MET 1 8.932 8.966 -15.889 7 1HG MET 1 2HG MET 1 7.615 11.717 -15.708 8 2HG MET 1 3HG MET 1 8.658 11.172 -17.021 9 1HE MET 1 1HE MET 1 5.758 12.501 -17.357 10 2HE MET 1 2HE MET 1 6.824 12.049 -18.712 11 3HE MET 1 3HE MET 1 5.131 11.500 -18.687 12 H GLY 2 H GLY 2 5.228 9.399 -14.682 13 1HA GLY 2 2HA GLY 2 3.848 7.813 -15.648 14 2HA GLY 2 1HA GLY 2 5.164 6.630 -15.663 15 H ASP 3 H ASP 3 2.759 5.597 -14.946 16 HA ASP 3 HA ASP 3 2.209 5.856 -12.101 17 1HB ASP 3 2HB ASP 3 0.419 4.274 -12.633 18 2HB ASP 3 3HB ASP 3 0.406 5.648 -13.740 19 H GLY 4 H GLY 4 4.616 5.282 -11.834 20 1HA GLY 4 2HA GLY 4 5.795 2.814 -12.174 21 2HA GLY 4 1HA GLY 4 6.045 3.830 -10.741 22 H VAL 5 H VAL 5 5.493 0.740 -11.384 23 HA VAL 5 HA VAL 5 3.170 0.340 -9.565 24 HB VAL 5 HB VAL 5 2.893 -1.781 -10.557 25 1HG1 VAL 5 1HG1 VAL 5 2.240 -1.089 -12.760 26 2HG1 VAL 5 2HG1 VAL 5 2.095 0.329 -11.689 27 3HG1 VAL 5 3HG1 VAL 5 3.467 0.194 -12.804 28 1HG2 VAL 5 1HG2 VAL 5 5.146 -2.595 -10.998 29 2HG2 VAL 5 2HG2 VAL 5 4.243 -2.552 -12.511 30 3HG2 VAL 5 3HG2 VAL 5 5.440 -1.287 -12.169 31 H LEU 6 H LEU 6 3.530 -0.297 -7.483 32 HA LEU 6 HA LEU 6 5.764 -2.157 -7.040 33 1HB LEU 6 2HB LEU 6 6.092 0.409 -6.327 34 2HB LEU 6 3HB LEU 6 5.062 -0.090 -4.989 35 HG LEU 6 HG LEU 6 7.223 -0.349 -4.251 36 1HD1 LEU 6 1HD1 LEU 6 6.553 -3.180 -5.169 37 2HD1 LEU 6 2HD1 LEU 6 7.662 -2.717 -3.889 38 3HD1 LEU 6 3HD1 LEU 6 5.930 -2.373 -3.707 39 1HD2 LEU 6 1HD2 LEU 6 8.011 -1.793 -6.819 40 2HD2 LEU 6 2HD2 LEU 6 8.396 -0.110 -6.405 41 3HD2 LEU 6 3HD2 LEU 6 9.081 -1.434 -5.451 42 H GLU 7 H GLU 7 4.445 -3.840 -7.039 43 HA GLU 7 HA GLU 7 2.066 -4.011 -5.365 44 1HB GLU 7 2HB GLU 7 2.944 -5.323 -7.603 45 2HB GLU 7 3HB GLU 7 3.511 -6.450 -6.352 46 1HG GLU 7 2HG GLU 7 1.318 -7.079 -7.021 47 2HG GLU 7 3HG GLU 7 1.200 -6.382 -5.388 48 H LEU 8 H LEU 8 2.147 -4.302 -3.183 49 HA LEU 8 HA LEU 8 4.392 -5.944 -2.120 50 1HB LEU 8 2HB LEU 8 4.418 -4.632 -0.058 51 2HB LEU 8 3HB LEU 8 4.986 -3.802 -1.500 52 HG LEU 8 HG LEU 8 2.708 -2.601 -1.582 53 1HD1 LEU 8 1HD1 LEU 8 2.638 -3.692 1.287 54 2HD1 LEU 8 2HD1 LEU 8 1.602 -2.406 0.645 55 3HD1 LEU 8 3HD1 LEU 8 1.439 -4.046 0.034 56 1HD2 LEU 8 1HD2 LEU 8 3.469 -0.988 0.120 57 2HD2 LEU 8 2HD2 LEU 8 4.602 -2.201 0.752 58 3HD2 LEU 8 3HD2 LEU 8 4.810 -1.551 -0.890 59 H VAL 9 H VAL 9 3.923 -7.396 -0.557 60 HA VAL 9 HA VAL 9 1.086 -8.126 -0.189 61 HB VAL 9 HB VAL 9 2.790 -9.889 -0.521 62 1HG1 VAL 9 1HG1 VAL 9 4.245 -10.568 1.327 63 2HG1 VAL 9 2HG1 VAL 9 4.681 -8.956 0.765 64 3HG1 VAL 9 3HG1 VAL 9 3.769 -9.150 2.278 65 1HG2 VAL 9 1HG2 VAL 9 1.957 -11.363 1.262 66 2HG2 VAL 9 2HG2 VAL 9 1.297 -9.964 2.128 67 3HG2 VAL 9 3HG2 VAL 9 0.665 -10.413 0.525 68 H VAL 10 H VAL 10 0.053 -7.776 1.817 69 HA VAL 10 HA VAL 10 1.430 -6.153 3.871 70 HB VAL 10 HB VAL 10 0.480 -4.612 2.274 71 1HG1 VAL 10 1HG1 VAL 10 -1.472 -5.996 1.461 72 2HG1 VAL 10 2HG1 VAL 10 -2.324 -5.482 2.938 73 3HG1 VAL 10 3HG1 VAL 10 -1.778 -4.281 1.778 74 1HG2 VAL 10 1HG2 VAL 10 0.579 -4.149 4.746 75 2HG2 VAL 10 2HG2 VAL 10 -0.638 -3.196 3.872 76 3HG2 VAL 10 3HG2 VAL 10 -1.135 -4.592 4.855 77 H ARG 11 H ARG 11 1.350 -7.680 5.437 78 HA ARG 11 HA ARG 11 -1.137 -9.262 5.760 79 1HB ARG 11 2HB ARG 11 0.117 -10.864 6.879 80 2HB ARG 11 3HB ARG 11 0.992 -10.456 5.399 81 1HG ARG 11 2HG ARG 11 2.561 -9.086 6.746 82 2HG ARG 11 3HG ARG 11 1.657 -9.508 8.219 83 1HD ARG 11 2HD ARG 11 2.153 -12.003 7.477 84 2HD ARG 11 3HD ARG 11 3.354 -11.265 6.431 85 HE ARG 11 HE ARG 11 4.697 -10.793 8.214 86 1HH1 ARG 11 2HH2 ARG 11 1.541 -11.763 9.436 87 2HH1 ARG 11 1HH2 ARG 11 2.019 -11.812 11.108 88 1HH2 ARG 11 2HH1 ARG 11 5.253 -10.517 10.439 89 2HH2 ARG 11 1HH1 ARG 11 4.250 -11.197 11.681 90 H GLY 12 H GLY 12 -2.271 -9.336 7.632 91 1HA GLY 12 2HA GLY 12 -2.209 -9.048 10.104 92 2HA GLY 12 1HA GLY 12 -1.565 -7.422 9.841 93 H MET 13 H MET 13 -3.211 -6.876 7.474 94 HA MET 13 HA MET 13 -5.466 -5.746 8.796 95 1HB MET 13 2HB MET 13 -6.203 -5.087 6.567 96 2HB MET 13 3HB MET 13 -4.526 -4.628 6.894 97 1HG MET 13 2HG MET 13 -3.688 -6.322 5.448 98 2HG MET 13 3HG MET 13 -5.213 -7.212 5.479 99 1HE MET 13 1HE MET 13 -3.916 -7.049 3.035 100 2HE MET 13 2HE MET 13 -5.589 -7.613 3.218 101 3HE MET 13 3HE MET 13 -5.167 -6.508 1.865 102 H THR 14 H THR 14 -7.703 -6.122 8.566 103 HA THR 14 HA THR 14 -8.644 -8.374 7.027 104 HB THR 14 HB THR 14 -8.091 -9.562 9.066 105 HG1 THR 14 1HG THR 14 -10.882 -9.082 9.119 106 1HG2 THR 14 1HG2 THR 14 -9.797 -7.525 10.576 107 2HG2 THR 14 2HG2 THR 14 -9.094 -9.010 11.243 108 3HG2 THR 14 3HG2 THR 14 -8.035 -7.703 10.693 109 H CYS 15 H CYS 15 -10.844 -8.166 6.627 110 HA CYS 15 HA CYS 15 -12.823 -7.216 6.296 111 1HB CYS 15 2HB CYS 15 -12.357 -5.657 8.877 112 2HB CYS 15 3HB CYS 15 -13.890 -5.863 8.029 113 HG CYS 15 HG CYS 15 -13.871 -8.496 8.129 114 H ALA 16 H ALA 16 -13.920 -5.461 5.455 115 HA ALA 16 HA ALA 16 -12.705 -3.904 3.606 116 1HB ALA 16 1HB ALA 16 -15.114 -4.313 3.726 117 2HB ALA 16 2HB ALA 16 -15.246 -3.235 5.135 118 3HB ALA 16 3HB ALA 16 -14.773 -2.582 3.552 119 H SER 17 H SER 17 -13.185 -3.044 7.022 120 HA SER 17 HA SER 17 -12.505 -0.322 7.033 121 1HB SER 17 2HB SER 17 -11.726 -1.167 9.426 122 2HB SER 17 3HB SER 17 -13.437 -1.177 8.957 123 HG SER 17 HG SER 17 -11.688 -3.424 8.814 124 H CYS 18 H CYS 18 -10.255 -3.199 7.564 125 HA CYS 18 HA CYS 18 -8.054 -1.322 8.062 126 1HB CYS 18 2HB CYS 18 -8.132 -4.336 7.686 127 2HB CYS 18 3HB CYS 18 -6.688 -3.406 8.103 128 HG CYS 18 HG CYS 18 -7.530 -2.409 10.306 129 H VAL 19 H VAL 19 -9.295 -3.527 5.631 130 HA VAL 19 HA VAL 19 -7.510 -3.422 3.572 131 HB VAL 19 HB VAL 19 -10.516 -3.465 3.784 132 1HG1 VAL 19 1HG1 VAL 19 -8.963 -3.511 1.206 133 2HG1 VAL 19 2HG1 VAL 19 -10.585 -4.232 1.384 134 3HG1 VAL 19 3HG1 VAL 19 -10.362 -2.500 1.633 135 1HG2 VAL 19 1HG2 VAL 19 -8.528 -5.541 2.866 136 2HG2 VAL 19 2HG2 VAL 19 -9.121 -5.384 4.532 137 3HG2 VAL 19 3HG2 VAL 19 -10.268 -5.760 3.232 138 H HIS 20 H HIS 20 -10.368 -1.184 3.829 139 HA HIS 20 HA HIS 20 -9.195 0.446 1.854 140 1HB HIS 20 2HB HIS 20 -10.956 1.875 1.873 141 2HB HIS 20 3HB HIS 20 -11.525 0.213 1.960 142 HD1 HIS 20 1HD HIS 20 -13.841 1.580 2.699 143 HD2 HIS 20 2HD HIS 20 -10.565 1.792 5.266 144 HE1 HIS 20 1HE HIS 20 -14.669 2.628 4.878 145 H LYS 21 H LYS 21 -8.723 0.362 5.315 146 HA LYS 21 HA LYS 21 -8.134 3.078 5.745 147 1HB LYS 21 2HB LYS 21 -8.548 1.421 7.533 148 2HB LYS 21 3HB LYS 21 -6.956 0.690 7.232 149 1HG LYS 21 2HG LYS 21 -5.886 2.842 7.864 150 2HG LYS 21 3HG LYS 21 -7.488 3.562 8.077 151 1HD LYS 21 2HD LYS 21 -7.953 1.676 9.780 152 2HD LYS 21 3HD LYS 21 -6.216 1.318 9.690 153 1HE LYS 21 2HE LYS 21 -5.802 3.768 10.355 154 2HE LYS 21 3HE LYS 21 -7.544 3.941 10.568 155 1HZ LYS 21 1HZ LYS 21 -5.805 2.085 12.066 156 2HZ LYS 21 2HZ LYS 21 -6.428 3.494 12.628 157 3HZ LYS 21 3HZ LYS 21 -7.432 2.243 12.274 158 H ILE 22 H ILE 22 -6.074 0.354 4.746 159 HA ILE 22 HA ILE 22 -3.561 1.680 4.716 160 HB ILE 22 HB ILE 22 -4.736 -0.566 3.051 161 1HG1 ILE 22 2HG1 ILE 22 -2.618 -0.666 5.221 162 2HG1 ILE 22 3HG1 ILE 22 -4.359 -0.799 5.559 163 1HG2 ILE 22 1HG2 ILE 22 -2.329 -1.082 2.412 164 2HG2 ILE 22 2HG2 ILE 22 -2.934 0.396 1.690 165 3HG2 ILE 22 3HG2 ILE 22 -1.867 0.479 3.110 166 1HD1 ILE 22 1HD1 ILE 22 -2.978 -2.722 3.699 167 2HD1 ILE 22 2HD1 ILE 22 -3.301 -2.991 5.423 168 3HD1 ILE 22 3HD1 ILE 22 -4.650 -2.719 4.309 169 H GLU 23 H GLU 23 -5.701 1.137 1.869 170 HA GLU 23 HA GLU 23 -4.384 2.949 0.193 171 1HB GLU 23 2HB GLU 23 -6.585 2.941 -1.117 172 2HB GLU 23 3HB GLU 23 -5.796 1.383 -0.783 173 1HG GLU 23 2HG GLU 23 -7.396 1.070 1.075 174 2HG GLU 23 3HG GLU 23 -8.295 2.462 0.401 175 H SER 24 H SER 24 -7.365 3.583 2.046 176 HA SER 24 HA SER 24 -7.687 6.274 1.371 177 1HB SER 24 2HB SER 24 -9.386 4.915 2.473 178 2HB SER 24 3HB SER 24 -8.480 4.917 3.993 179 HG SER 24 HG SER 24 -10.145 6.539 3.822 180 H SER 25 H SER 25 -5.515 4.859 3.871 181 HA SER 25 HA SER 25 -4.702 7.444 4.897 182 1HB SER 25 2HB SER 25 -4.513 5.382 6.204 183 2HB SER 25 3HB SER 25 -3.317 4.736 5.064 184 HG SER 25 HG SER 25 -2.336 5.809 6.868 185 H LEU 26 H LEU 26 -3.031 5.038 2.779 186 HA LEU 26 HA LEU 26 -0.727 6.545 2.256 187 1HB LEU 26 2HB LEU 26 -2.232 4.442 0.694 188 2HB LEU 26 3HB LEU 26 -0.748 5.174 0.066 189 HG LEU 26 HG LEU 26 0.634 4.233 1.499 190 1HD1 LEU 26 1HD1 LEU 26 0.232 3.246 3.682 191 2HD1 LEU 26 2HD1 LEU 26 -0.293 4.924 3.672 192 3HD1 LEU 26 3HD1 LEU 26 -1.487 3.615 3.596 193 1HD2 LEU 26 1HD2 LEU 26 -0.038 1.816 1.702 194 2HD2 LEU 26 2HD2 LEU 26 -1.716 2.312 1.380 195 3HD2 LEU 26 3HD2 LEU 26 -0.477 2.533 0.135 196 H THR 27 H THR 27 -3.775 6.508 0.392 197 HA THR 27 HA THR 27 -2.946 8.097 -1.763 198 HB THR 27 HB THR 27 -5.436 8.710 -1.892 199 HG1 THR 27 1HG THR 27 -5.648 6.893 0.250 200 1HG2 THR 27 1HG2 THR 27 -6.116 6.387 -2.393 201 2HG2 THR 27 2HG2 THR 27 -4.559 6.824 -3.118 202 3HG2 THR 27 3HG2 THR 27 -4.602 5.790 -1.684 203 H LYS 28 H LYS 28 -3.706 9.103 1.561 204 HA LYS 28 HA LYS 28 -4.086 11.876 0.994 205 1HB LYS 28 2HB LYS 28 -3.063 10.700 3.590 206 2HB LYS 28 3HB LYS 28 -3.906 12.231 3.330 207 1HG LYS 28 2HG LYS 28 -5.645 10.217 2.279 208 2HG LYS 28 3HG LYS 28 -4.960 9.536 3.741 209 1HD LYS 28 2HD LYS 28 -6.320 12.247 3.638 210 2HD LYS 28 3HD LYS 28 -7.102 10.717 4.090 211 1HE LYS 28 2HE LYS 28 -5.444 10.399 5.934 212 2HE LYS 28 3HE LYS 28 -4.694 11.950 5.535 213 1HZ LYS 28 1HZ LYS 28 -7.470 11.570 6.442 214 2HZ LYS 28 2HZ LYS 28 -6.223 12.147 7.348 215 3HZ LYS 28 3HZ LYS 28 -6.779 13.019 6.069 216 H HIS 29 H HIS 29 -1.160 9.960 1.020 217 HA HIS 29 HA HIS 29 0.727 12.014 1.720 218 1HB HIS 29 2HB HIS 29 0.968 9.633 -0.162 219 2HB HIS 29 3HB HIS 29 2.293 10.700 0.293 220 HD1 HIS 29 1HD HIS 29 3.821 9.105 1.640 221 HD2 HIS 29 2HD HIS 29 -0.247 8.892 2.673 222 HE1 HIS 29 1HE HIS 29 3.596 7.279 3.360 223 H ARG 30 H ARG 30 -1.221 11.378 -1.168 224 HA ARG 30 HA ARG 30 -1.635 12.554 -3.009 225 1HB ARG 30 2HB ARG 30 0.397 14.677 -2.270 226 2HB ARG 30 3HB ARG 30 -0.955 14.793 -3.388 227 1HG ARG 30 2HG ARG 30 -2.560 14.608 -1.497 228 2HG ARG 30 3HG ARG 30 -1.194 14.494 -0.367 229 1HD ARG 30 2HD ARG 30 -0.329 16.666 -1.216 230 2HD ARG 30 3HD ARG 30 -1.838 16.859 -2.150 231 HE ARG 30 HE ARG 30 -2.530 16.268 0.525 232 1HH1 ARG 30 2HH2 ARG 30 -0.892 18.830 -1.239 233 2HH1 ARG 30 1HH2 ARG 30 -1.242 20.093 -0.099 234 1HH2 ARG 30 2HH1 ARG 30 -3.044 17.914 2.081 235 2HH2 ARG 30 1HH1 ARG 30 -2.516 19.548 1.839 236 H GLY 31 H GLY 31 1.285 11.131 -2.276 237 1HA GLY 31 2HA GLY 31 2.499 11.657 -4.936 238 2HA GLY 31 1HA GLY 31 3.309 11.020 -3.512 239 H ILE 32 H ILE 32 0.112 9.890 -4.459 240 HA ILE 32 HA ILE 32 1.192 7.220 -5.252 241 HB ILE 32 HB ILE 32 -1.319 7.869 -3.680 242 1HG1 ILE 32 2HG1 ILE 32 0.689 8.293 -2.249 243 2HG1 ILE 32 3HG1 ILE 32 -0.476 7.100 -1.688 244 1HG2 ILE 32 1HG2 ILE 32 -1.546 5.776 -4.921 245 2HG2 ILE 32 2HG2 ILE 32 0.044 5.211 -4.349 246 3HG2 ILE 32 3HG2 ILE 32 -1.300 5.412 -3.212 247 1HD1 ILE 32 1HD1 ILE 32 0.934 5.245 -2.234 248 2HD1 ILE 32 2HD1 ILE 32 2.059 6.306 -3.119 249 3HD1 ILE 32 3HD1 ILE 32 1.867 6.450 -1.348 250 H LEU 33 H LEU 33 -0.007 6.290 -6.983 251 HA LEU 33 HA LEU 33 -1.893 8.117 -8.423 252 1HB LEU 33 2HB LEU 33 -0.398 5.643 -9.391 253 2HB LEU 33 3HB LEU 33 -1.651 6.499 -10.276 254 HG LEU 33 HG LEU 33 0.343 7.189 -11.214 255 1HD1 LEU 33 1HD1 LEU 33 -0.323 9.478 -9.326 256 2HD1 LEU 33 2HD1 LEU 33 0.401 9.571 -10.936 257 3HD1 LEU 33 3HD1 LEU 33 -1.280 9.037 -10.762 258 1HD2 LEU 33 1HD2 LEU 33 2.268 8.083 -10.091 259 2HD2 LEU 33 2HD2 LEU 33 1.503 7.933 -8.504 260 3HD2 LEU 33 3HD2 LEU 33 1.901 6.474 -9.451 261 H TYR 34 H TYR 34 -1.517 4.730 -7.092 262 HA TYR 34 HA TYR 34 -4.336 4.800 -6.491 263 1HB TYR 34 2HB TYR 34 -4.025 4.030 -9.007 264 2HB TYR 34 3HB TYR 34 -3.434 2.529 -8.301 265 HD1 TYR 34 HD1 TYR 34 -6.274 4.931 -8.433 266 HD2 TYR 34 HD2 TYR 34 -5.021 0.985 -7.250 267 HE1 TYR 34 HE1 TYR 34 -8.580 4.412 -7.760 268 HE2 TYR 34 HE2 TYR 34 -7.347 0.473 -6.544 269 HH TYR 34 HH TYR 34 -10.012 2.822 -6.857 270 H CYS 35 H CYS 35 -4.947 3.082 -5.110 271 HA CYS 35 HA CYS 35 -2.915 1.155 -4.071 272 1HB CYS 35 2HB CYS 35 -4.566 3.120 -2.443 273 2HB CYS 35 3HB CYS 35 -3.933 1.562 -1.832 274 HG CYS 35 HG CYS 35 -1.472 2.016 -2.381 275 H SER 36 H SER 36 -3.921 -0.686 -4.794 276 HA SER 36 HA SER 36 -6.864 -0.943 -4.294 277 1HB SER 36 2HB SER 36 -5.743 -1.280 -6.719 278 2HB SER 36 3HB SER 36 -5.510 -2.916 -6.085 279 HG SER 36 HG SER 36 -7.537 -2.628 -7.118 280 H VAL 37 H VAL 37 -6.754 -1.609 -2.084 281 HA VAL 37 HA VAL 37 -4.780 -3.686 -1.384 282 HB VAL 37 HB VAL 37 -6.790 -2.168 0.323 283 1HG1 VAL 37 1HG1 VAL 37 -5.294 -2.817 2.155 284 2HG1 VAL 37 2HG1 VAL 37 -6.000 -4.246 1.378 285 3HG1 VAL 37 3HG1 VAL 37 -4.310 -3.782 1.032 286 1HG2 VAL 37 1HG2 VAL 37 -5.001 -0.705 0.889 287 2HG2 VAL 37 2HG2 VAL 37 -3.799 -1.672 0.008 288 3HG2 VAL 37 3HG2 VAL 37 -5.009 -0.727 -0.867 289 H ALA 38 H ALA 38 -5.300 -5.661 -2.205 290 HA ALA 38 HA ALA 38 -8.173 -6.427 -2.268 291 1HB ALA 38 1HB ALA 38 -6.995 -6.490 -4.349 292 2HB ALA 38 2HB ALA 38 -5.727 -7.517 -3.667 293 3HB ALA 38 3HB ALA 38 -7.388 -8.144 -3.844 294 H LEU 39 H LEU 39 -8.487 -6.930 -0.102 295 HA LEU 39 HA LEU 39 -7.190 -8.354 1.736 296 1HB LEU 39 2HB LEU 39 -9.447 -7.497 1.988 297 2HB LEU 39 3HB LEU 39 -10.120 -8.792 1.009 298 HG LEU 39 HG LEU 39 -8.448 -9.609 3.385 299 1HD1 LEU 39 1HD1 LEU 39 -10.386 -9.352 4.913 300 2HD1 LEU 39 2HD1 LEU 39 -9.705 -7.807 4.388 301 3HD1 LEU 39 3HD1 LEU 39 -11.223 -8.398 3.668 302 1HD2 LEU 39 1HD2 LEU 39 -11.131 -10.585 2.286 303 2HD2 LEU 39 2HD2 LEU 39 -9.562 -11.352 1.978 304 3HD2 LEU 39 3HD2 LEU 39 -10.218 -11.329 3.611 305 H ALA 40 H ALA 40 -8.999 -9.970 -0.881 306 HA ALA 40 HA ALA 40 -8.762 -12.619 -0.118 307 1HB ALA 40 1HB ALA 40 -8.645 -11.480 -2.944 308 2HB ALA 40 2HB ALA 40 -9.064 -13.149 -2.509 309 3HB ALA 40 3HB ALA 40 -10.123 -11.815 -2.011 310 H THR 41 H THR 41 -6.306 -10.603 -1.657 311 HA THR 41 HA THR 41 -4.394 -12.902 -1.786 312 HB THR 41 HB THR 41 -4.863 -12.086 -3.932 313 HG1 THR 41 1HG THR 41 -2.835 -11.559 -4.578 314 1HG2 THR 41 1HG2 THR 41 -4.254 -9.268 -3.054 315 2HG2 THR 41 2HG2 THR 41 -4.600 -9.843 -4.711 316 3HG2 THR 41 3HG2 THR 41 -5.852 -9.929 -3.499 317 H ASN 42 H ASN 42 -5.174 -9.960 -0.142 318 HA ASN 42 HA ASN 42 -4.125 -8.784 1.484 319 1HB ASN 42 2HB ASN 42 -3.310 -11.566 1.939 320 2HB ASN 42 3HB ASN 42 -2.039 -10.476 2.456 321 1HD2 ASN 42 1HD2 ASN 42 -5.676 -10.600 2.625 322 2HD2 ASN 42 2HD2 ASN 42 -5.706 -10.182 4.337 323 H LYS 43 H LYS 43 -3.533 -8.191 -1.029 324 HA LYS 43 HA LYS 43 -0.752 -7.196 -0.787 325 1HB LYS 43 2HB LYS 43 -0.249 -8.362 -2.602 326 2HB LYS 43 3HB LYS 43 -1.904 -8.784 -2.968 327 1HG LYS 43 2HG LYS 43 -0.689 -6.113 -3.745 328 2HG LYS 43 3HG LYS 43 -0.621 -7.547 -4.734 329 1HD LYS 43 2HD LYS 43 -3.370 -6.787 -3.780 330 2HD LYS 43 3HD LYS 43 -2.623 -5.747 -4.989 331 1HE LYS 43 2HE LYS 43 -2.778 -8.747 -5.237 332 2HE LYS 43 3HE LYS 43 -4.073 -7.692 -5.836 333 1HZ LYS 43 1HZ LYS 43 -1.389 -7.131 -6.776 334 2HZ LYS 43 2HZ LYS 43 -2.222 -8.388 -7.500 335 3HZ LYS 43 3HZ LYS 43 -2.735 -6.891 -7.549 336 H ALA 44 H ALA 44 -0.386 -5.134 -1.405 337 HA ALA 44 HA ALA 44 -2.761 -3.401 -1.997 338 1HB ALA 44 1HB ALA 44 -1.481 -2.702 0.045 339 2HB ALA 44 2HB ALA 44 -0.041 -2.538 -0.987 340 3HB ALA 44 3HB ALA 44 -1.461 -1.523 -1.280 341 H HIS 45 H HIS 45 -2.968 -3.300 -4.132 342 HA HIS 45 HA HIS 45 -0.575 -3.277 -5.865 343 1HB HIS 45 2HB HIS 45 -2.867 -4.261 -6.622 344 2HB HIS 45 3HB HIS 45 -3.433 -2.599 -6.625 345 HD1 HIS 45 1HD HIS 45 -2.178 -4.963 -9.097 346 HD2 HIS 45 2HD HIS 45 -1.341 -0.993 -8.016 347 HE1 HIS 45 1HE HIS 45 -1.191 -3.819 -11.157 348 H ILE 46 H ILE 46 0.653 -1.622 -5.151 349 HA ILE 46 HA ILE 46 -0.659 1.027 -5.033 350 HB ILE 46 HB ILE 46 2.169 0.474 -4.177 351 1HG1 ILE 46 2HG1 ILE 46 -0.463 0.299 -2.654 352 2HG1 ILE 46 3HG1 ILE 46 0.777 -0.964 -2.841 353 1HG2 ILE 46 1HG2 ILE 46 1.824 2.664 -3.071 354 2HG2 ILE 46 2HG2 ILE 46 1.391 2.806 -4.778 355 3HG2 ILE 46 3HG2 ILE 46 0.126 2.673 -3.569 356 1HD1 ILE 46 1HD1 ILE 46 2.384 0.483 -1.634 357 2HD1 ILE 46 2HD1 ILE 46 1.035 1.609 -1.295 358 3HD1 ILE 46 3HD1 ILE 46 0.993 -0.043 -0.647 359 H LYS 47 H LYS 47 -0.707 2.040 -6.883 360 HA LYS 47 HA LYS 47 1.658 1.977 -8.695 361 1HB LYS 47 2HB LYS 47 -1.117 3.147 -9.078 362 2HB LYS 47 3HB LYS 47 0.281 3.397 -10.145 363 1HG LYS 47 2HG LYS 47 0.301 0.658 -9.961 364 2HG LYS 47 3HG LYS 47 -1.429 0.959 -9.762 365 1HD LYS 47 2HD LYS 47 -1.412 2.302 -11.878 366 2HD LYS 47 3HD LYS 47 0.342 2.056 -11.991 367 1HE LYS 47 2HE LYS 47 -0.036 -0.423 -12.116 368 2HE LYS 47 3HE LYS 47 -1.772 -0.133 -12.207 369 1HZ LYS 47 1HZ LYS 47 0.098 1.189 -14.077 370 2HZ LYS 47 2HZ LYS 47 -0.475 -0.340 -14.379 371 3HZ LYS 47 3HZ LYS 47 -1.477 0.972 -14.257 372 H TYR 48 H TYR 48 3.179 3.431 -8.068 373 HA TYR 48 HA TYR 48 2.415 6.074 -7.119 374 1HB TYR 48 2HB TYR 48 3.563 6.074 -5.104 375 2HB TYR 48 3HB TYR 48 2.591 4.646 -5.039 376 HD1 TYR 48 HD1 TYR 48 3.648 2.590 -4.364 377 HD2 TYR 48 HD2 TYR 48 6.091 5.821 -5.829 378 HE1 TYR 48 HE1 TYR 48 5.674 1.449 -3.562 379 HE2 TYR 48 HE2 TYR 48 8.091 4.385 -5.535 380 HH TYR 48 HH TYR 48 8.889 2.382 -4.829 381 H ASP 49 H ASP 49 3.997 7.597 -7.777 382 HA ASP 49 HA ASP 49 6.005 6.516 -9.632 383 1HB ASP 49 2HB ASP 49 4.538 8.424 -10.233 384 2HB ASP 49 3HB ASP 49 5.353 9.420 -9.032 385 HA PRO 50 HA PRO 50 8.628 6.423 -5.966 386 1HB PRO 50 2HB PRO 50 11.163 6.321 -7.234 387 2HB PRO 50 3HB PRO 50 10.137 4.937 -6.775 388 1HG PRO 50 2HG PRO 50 10.304 6.333 -9.445 389 2HG PRO 50 3HG PRO 50 10.221 4.576 -9.122 390 1HD PRO 50 2HD PRO 50 8.048 5.895 -9.903 391 2HD PRO 50 3HD PRO 50 7.890 4.735 -8.548 392 H GLU 51 H GLU 51 9.678 8.658 -8.597 393 HA GLU 51 HA GLU 51 11.301 10.182 -6.875 394 1HB GLU 51 2HB GLU 51 11.296 11.889 -8.629 395 2HB GLU 51 3HB GLU 51 11.631 10.264 -9.233 396 1HG GLU 51 2HG GLU 51 9.284 10.100 -10.061 397 2HG GLU 51 3HG GLU 51 8.978 11.743 -9.476 398 H ILE 52 H ILE 52 7.788 10.203 -6.980 399 HA ILE 52 HA ILE 52 7.810 12.870 -5.621 400 HB ILE 52 HB ILE 52 5.563 13.105 -5.980 401 1HG1 ILE 52 2HG1 ILE 52 5.392 10.284 -7.047 402 2HG1 ILE 52 3HG1 ILE 52 4.719 10.878 -5.540 403 1HG2 ILE 52 1HG2 ILE 52 5.485 13.282 -8.384 404 2HG2 ILE 52 2HG2 ILE 52 7.173 13.489 -7.908 405 3HG2 ILE 52 3HG2 ILE 52 6.628 11.941 -8.588 406 1HD1 ILE 52 1HD1 ILE 52 2.932 10.762 -7.134 407 2HD1 ILE 52 2HD1 ILE 52 3.295 12.483 -6.896 408 3HD1 ILE 52 3HD1 ILE 52 3.860 11.639 -8.358 409 H ILE 53 H ILE 53 8.052 9.624 -4.712 410 HA ILE 53 HA ILE 53 7.155 10.394 -2.007 411 HB ILE 53 HB ILE 53 5.104 9.620 -3.339 412 1HG1 ILE 53 2HG1 ILE 53 5.662 8.011 -0.845 413 2HG1 ILE 53 3HG1 ILE 53 5.331 9.763 -0.842 414 1HG2 ILE 53 1HG2 ILE 53 6.231 6.829 -2.928 415 2HG2 ILE 53 2HG2 ILE 53 4.763 7.311 -3.764 416 3HG2 ILE 53 3HG2 ILE 53 6.320 7.719 -4.472 417 1HD1 ILE 53 1HD1 ILE 53 3.420 7.866 -2.169 418 2HD1 ILE 53 2HD1 ILE 53 3.322 8.268 -0.452 419 3HD1 ILE 53 3HD1 ILE 53 3.168 9.542 -1.679 420 H GLY 54 H GLY 54 8.547 7.777 -3.996 421 1HA GLY 54 2HA GLY 54 10.017 6.155 -3.481 422 2HA GLY 54 1HA GLY 54 10.419 6.985 -1.971 423 HA PRO 55 HA PRO 55 7.697 3.034 -1.433 424 1HB PRO 55 2HB PRO 55 9.669 1.251 -0.540 425 2HB PRO 55 3HB PRO 55 9.042 1.354 -2.192 426 1HG PRO 55 2HG PRO 55 11.577 2.530 -1.077 427 2HG PRO 55 3HG PRO 55 11.297 1.811 -2.690 428 1HD PRO 55 2HD PRO 55 11.397 4.513 -2.271 429 2HD PRO 55 3HD PRO 55 10.338 3.779 -3.510 430 H ARG 56 H ARG 56 10.611 3.829 0.502 431 HA ARG 56 HA ARG 56 9.915 2.698 2.894 432 1HB ARG 56 2HB ARG 56 11.415 5.313 2.454 433 2HB ARG 56 3HB ARG 56 11.306 4.454 3.998 434 1HG ARG 56 2HG ARG 56 12.313 2.431 2.943 435 2HG ARG 56 3HG ARG 56 12.571 3.364 1.450 436 1HD ARG 56 2HD ARG 56 13.949 4.992 2.700 437 2HD ARG 56 3HD ARG 56 13.636 4.100 4.212 438 HE ARG 56 HE ARG 56 14.747 2.315 2.297 439 1HH1 ARG 56 2HH2 ARG 56 15.670 5.060 4.297 440 2HH1 ARG 56 1HH2 ARG 56 17.331 4.595 4.486 441 1HH2 ARG 56 2HH1 ARG 56 16.959 1.641 2.515 442 2HH2 ARG 56 1HH1 ARG 56 18.078 2.595 3.433 443 H ASP 57 H ASP 57 8.910 5.932 1.804 444 HA ASP 57 HA ASP 57 7.672 6.881 4.141 445 1HB ASP 57 2HB ASP 57 8.166 8.231 2.149 446 2HB ASP 57 3HB ASP 57 7.019 7.290 1.185 447 H ILE 58 H ILE 58 6.205 5.126 1.381 448 HA ILE 58 HA ILE 58 3.622 4.768 2.550 449 HB ILE 58 HB ILE 58 5.114 3.280 0.348 450 1HG1 ILE 58 2HG1 ILE 58 2.613 4.844 -0.025 451 2HG1 ILE 58 3HG1 ILE 58 4.060 5.791 0.351 452 1HG2 ILE 58 1HG2 ILE 58 2.322 2.742 1.347 453 2HG2 ILE 58 2HG2 ILE 58 2.955 2.290 -0.252 454 3HG2 ILE 58 3HG2 ILE 58 3.678 1.605 1.200 455 1HD1 ILE 58 1HD1 ILE 58 3.946 5.576 -2.035 456 2HD1 ILE 58 2HD1 ILE 58 5.320 4.650 -1.433 457 3HD1 ILE 58 3HD1 ILE 58 3.825 3.804 -1.917 458 H ILE 59 H ILE 59 6.523 2.641 2.544 459 HA ILE 59 HA ILE 59 5.338 0.511 3.999 460 HB ILE 59 HB ILE 59 8.221 1.472 4.140 461 1HG1 ILE 59 2HG1 ILE 59 7.638 0.890 1.845 462 2HG1 ILE 59 3HG1 ILE 59 8.716 -0.311 2.536 463 1HG2 ILE 59 1HG2 ILE 59 8.697 -0.892 4.843 464 2HG2 ILE 59 2HG2 ILE 59 7.830 0.067 6.044 465 3HG2 ILE 59 3HG2 ILE 59 6.951 -1.125 5.073 466 1HD1 ILE 59 1HD1 ILE 59 6.761 -1.833 2.885 467 2HD1 ILE 59 2HD1 ILE 59 5.702 -0.600 2.151 468 3HD1 ILE 59 3HD1 ILE 59 6.973 -1.356 1.194 469 H HIS 60 H HIS 60 7.016 3.406 5.318 470 HA HIS 60 HA HIS 60 6.662 2.863 8.048 471 1HB HIS 60 2HB HIS 60 6.438 5.594 6.709 472 2HB HIS 60 3HB HIS 60 6.719 5.274 8.416 473 HD1 HIS 60 1HD HIS 60 8.694 6.649 6.010 474 HD2 HIS 60 2HD HIS 60 9.027 3.139 8.295 475 HE1 HIS 60 1HE HIS 60 11.185 6.065 6.079 476 H THR 61 H THR 61 4.385 4.689 5.836 477 HA THR 61 HA THR 61 2.465 5.009 7.870 478 HB THR 61 HB THR 61 1.947 4.751 4.887 479 HG1 THR 61 1HG THR 61 2.159 7.030 5.044 480 1HG2 THR 61 1HG2 THR 61 -0.145 4.682 6.168 481 2HG2 THR 61 2HG2 THR 61 0.389 6.031 7.196 482 3HG2 THR 61 3HG2 THR 61 0.030 6.309 5.485 483 H ILE 62 H ILE 62 2.836 2.263 5.567 484 HA ILE 62 HA ILE 62 0.485 0.875 6.343 485 HB ILE 62 HB ILE 62 3.095 -0.150 5.189 486 1HG1 ILE 62 2HG1 ILE 62 0.358 0.399 3.936 487 2HG1 ILE 62 3HG1 ILE 62 1.744 1.475 3.801 488 1HG2 ILE 62 1HG2 ILE 62 1.925 -1.998 6.316 489 2HG2 ILE 62 2HG2 ILE 62 0.406 -1.550 5.501 490 3HG2 ILE 62 3HG2 ILE 62 1.790 -2.173 4.584 491 1HD1 ILE 62 1HD1 ILE 62 1.490 -1.306 2.636 492 2HD1 ILE 62 2HD1 ILE 62 1.683 0.224 1.786 493 3HD1 ILE 62 3HD1 ILE 62 3.037 -0.426 2.731 494 H GLU 63 H GLU 63 3.863 0.403 7.615 495 HA GLU 63 HA GLU 63 2.894 -1.552 9.522 496 1HB GLU 63 2HB GLU 63 5.082 -1.581 10.475 497 2HB GLU 63 3HB GLU 63 5.115 -1.716 8.720 498 1HG GLU 63 2HG GLU 63 6.941 -0.358 9.273 499 2HG GLU 63 3HG GLU 63 5.737 0.754 8.631 500 H SER 64 H SER 64 3.672 1.898 9.784 501 HA SER 64 HA SER 64 3.178 2.175 12.508 502 1HB SER 64 2HB SER 64 4.263 3.856 11.143 503 2HB SER 64 3HB SER 64 2.766 4.191 10.267 504 HG SER 64 HG SER 64 3.182 4.524 13.064 505 H LEU 65 H LEU 65 0.691 2.289 9.789 506 HA LEU 65 HA LEU 65 -1.521 2.640 11.554 507 1HB LEU 65 2HB LEU 65 -1.202 1.108 8.954 508 2HB LEU 65 3HB LEU 65 -2.759 1.395 9.723 509 HG LEU 65 HG LEU 65 -0.965 3.759 9.062 510 1HD1 LEU 65 1HD1 LEU 65 -2.806 2.198 7.194 511 2HD1 LEU 65 2HD1 LEU 65 -2.101 3.788 6.836 512 3HD1 LEU 65 3HD1 LEU 65 -1.039 2.389 7.085 513 1HD2 LEU 65 1HD2 LEU 65 -3.969 3.391 9.138 514 2HD2 LEU 65 2HD2 LEU 65 -2.993 4.108 10.447 515 3HD2 LEU 65 3HD2 LEU 65 -3.100 4.917 8.871 516 H GLY 66 H GLY 66 -0.060 -0.379 10.218 517 1HA GLY 66 2HA GLY 66 -0.688 -1.827 12.663 518 2HA GLY 66 1HA GLY 66 -1.801 -2.233 11.353 519 H PHE 67 H PHE 67 0.338 -2.041 9.237 520 HA PHE 67 HA PHE 67 0.214 -4.958 9.599 521 1HB PHE 67 2HB PHE 67 0.110 -3.346 7.058 522 2HB PHE 67 3HB PHE 67 -0.538 -4.951 7.350 523 HD1 PHE 67 1HD PHE 67 -1.323 -1.432 7.226 524 HD2 PHE 67 2HD PHE 67 -2.313 -5.005 9.422 525 HE1 PHE 67 1HE PHE 67 -3.507 -0.463 7.812 526 HE2 PHE 67 2HE PHE 67 -4.493 -4.003 10.050 527 HZ PHE 67 HZ PHE 67 -5.171 -1.811 9.073 528 H GLU 68 H GLU 68 1.740 -6.435 8.689 529 HA GLU 68 HA GLU 68 4.466 -5.244 8.405 530 1HB GLU 68 2HB GLU 68 4.273 -7.215 9.841 531 2HB GLU 68 3HB GLU 68 3.562 -8.139 8.517 532 1HG GLU 68 2HG GLU 68 5.698 -7.777 7.193 533 2HG GLU 68 3HG GLU 68 6.370 -6.972 8.618 534 H ALA 69 H ALA 69 5.374 -5.019 6.356 535 HA ALA 69 HA ALA 69 3.759 -6.057 4.076 536 1HB ALA 69 1HB ALA 69 4.398 -3.982 2.860 537 2HB ALA 69 2HB ALA 69 3.462 -3.634 4.328 538 3HB ALA 69 3HB ALA 69 5.222 -3.391 4.319 539 H SER 70 H SER 70 4.906 -6.490 2.097 540 HA SER 70 HA SER 70 7.814 -6.319 2.147 541 1HB SER 70 2HB SER 70 6.797 -8.727 3.091 542 2HB SER 70 3HB SER 70 6.984 -9.070 1.364 543 HG SER 70 HG SER 70 8.943 -8.118 3.183 544 H LEU 71 H LEU 71 8.713 -6.402 0.026 545 HA LEU 71 HA LEU 71 6.779 -5.465 -1.963 546 1HB LEU 71 2HB LEU 71 9.753 -5.864 -2.358 547 2HB LEU 71 3HB LEU 71 8.660 -4.784 -3.222 548 HG LEU 71 HG LEU 71 9.723 -4.532 -0.374 549 1HD1 LEU 71 1HD1 LEU 71 10.702 -2.454 -1.216 550 2HD1 LEU 71 2HD1 LEU 71 11.211 -3.829 -2.212 551 3HD1 LEU 71 3HD1 LEU 71 9.960 -2.718 -2.806 552 1HD2 LEU 71 1HD2 LEU 71 7.599 -2.775 -1.684 553 2HD2 LEU 71 2HD2 LEU 71 7.395 -3.772 -0.233 554 3HD2 LEU 71 3HD2 LEU 71 8.495 -2.390 -0.209 555 H VAL 72 H VAL 72 5.962 -6.693 -3.643 556 HA VAL 72 HA VAL 72 7.226 -9.359 -4.171 557 HB VAL 72 HB VAL 72 5.063 -10.315 -4.507 558 1HG1 VAL 72 1HG1 VAL 72 4.378 -10.446 -2.199 559 2HG1 VAL 72 2HG1 VAL 72 6.144 -10.334 -2.261 560 3HG1 VAL 72 3HG1 VAL 72 5.181 -8.908 -1.819 561 1HG2 VAL 72 1HG2 VAL 72 3.717 -8.374 -5.208 562 2HG2 VAL 72 2HG2 VAL 72 2.981 -9.223 -3.849 563 3HG2 VAL 72 3HG2 VAL 72 3.831 -7.700 -3.567 564 H LYS 73 H LYS 73 5.563 -6.574 -5.619 565 HA LYS 73 HA LYS 73 5.483 -5.810 -7.754 566 1HB LYS 73 2HB LYS 73 7.875 -5.619 -7.210 567 2HB LYS 73 3HB LYS 73 8.169 -7.199 -7.907 568 1HG LYS 73 2HG LYS 73 6.952 -5.964 -10.070 569 2HG LYS 73 3HG LYS 73 7.532 -4.558 -9.194 570 1HD LYS 73 2HD LYS 73 9.319 -4.990 -10.585 571 2HD LYS 73 3HD LYS 73 9.845 -5.827 -9.128 572 1HE LYS 73 2HE LYS 73 8.565 -7.024 -11.650 573 2HE LYS 73 3HE LYS 73 10.252 -7.190 -11.148 574 1HZ LYS 73 1HZ LYS 73 9.001 -9.160 -10.648 575 2HZ LYS 73 2HZ LYS 73 9.443 -8.458 -9.225 576 3HZ LYS 73 3HZ LYS 73 7.904 -8.329 -9.771 577 H ILE 74 H ILE 74 3.613 -7.138 -8.324 578 HA ILE 74 HA ILE 74 4.067 -8.747 -10.677 579 HB ILE 74 HB ILE 74 4.027 -10.601 -9.367 580 1HG1 ILE 74 2HG1 ILE 74 1.960 -10.560 -10.891 581 2HG1 ILE 74 3HG1 ILE 74 2.113 -11.809 -9.666 582 1HG2 ILE 74 1HG2 ILE 74 2.238 -9.261 -7.330 583 2HG2 ILE 74 2HG2 ILE 74 2.705 -10.975 -7.290 584 3HG2 ILE 74 3HG2 ILE 74 3.944 -9.735 -7.165 585 1HD1 ILE 74 1HD1 ILE 74 0.443 -9.314 -9.156 586 2HD1 ILE 74 2HD1 ILE 74 -0.191 -10.821 -9.841 587 3HD1 ILE 74 3HD1 ILE 74 0.499 -10.809 -8.217 588 H GLU 75 H GLU 75 2.085 -8.690 -11.948 589 HA GLU 75 HA GLU 75 0.548 -7.454 -13.022 590 1HB GLU 75 2HB GLU 75 -0.184 -6.182 -10.355 591 2HB GLU 75 3HB GLU 75 -0.985 -5.905 -11.892 592 1HG GLU 75 2HG GLU 75 -2.095 -7.886 -11.923 593 2HG GLU 75 3HG GLU 75 -0.809 -8.763 -11.099 Start of MODEL 21 1 1H MET 1 H1 MET 1 7.333 1.998 -20.536 2 2H MET 1 H2 MET 1 8.306 3.301 -20.162 3 3H MET 1 H3 MET 1 7.632 2.337 -18.970 4 HA MET 1 HA MET 1 6.562 4.547 -19.343 5 1HB MET 1 2HB MET 1 5.370 2.787 -21.549 6 2HB MET 1 3HB MET 1 4.609 4.256 -20.927 7 1HG MET 1 2HG MET 1 6.566 5.593 -21.594 8 2HG MET 1 3HG MET 1 7.298 4.153 -22.328 9 1HE MET 1 1HE MET 1 7.599 5.568 -24.563 10 2HE MET 1 2HE MET 1 6.250 6.390 -25.382 11 3HE MET 1 3HE MET 1 6.805 6.968 -23.794 12 H GLY 2 H GLY 2 3.874 4.159 -18.987 13 1HA GLY 2 2HA GLY 2 2.358 3.117 -17.546 14 2HA GLY 2 1HA GLY 2 3.559 1.897 -17.088 15 H ASP 3 H ASP 3 2.073 3.290 -15.165 16 HA ASP 3 HA ASP 3 3.701 5.418 -13.962 17 1HB ASP 3 2HB ASP 3 1.838 5.359 -12.312 18 2HB ASP 3 3HB ASP 3 1.292 5.716 -13.953 19 H GLY 4 H GLY 4 4.431 5.095 -11.691 20 1HA GLY 4 2HA GLY 4 5.888 2.675 -11.372 21 2HA GLY 4 1HA GLY 4 5.601 3.883 -10.126 22 H VAL 5 H VAL 5 4.637 0.780 -11.391 23 HA VAL 5 HA VAL 5 2.432 0.435 -9.513 24 HB VAL 5 HB VAL 5 2.436 -0.753 -11.617 25 1HG1 VAL 5 1HG1 VAL 5 3.906 -2.657 -12.068 26 2HG1 VAL 5 2HG1 VAL 5 4.864 -1.179 -11.935 27 3HG1 VAL 5 3HG1 VAL 5 4.832 -2.344 -10.593 28 1HG2 VAL 5 1HG2 VAL 5 1.758 -2.928 -10.792 29 2HG2 VAL 5 2HG2 VAL 5 2.692 -2.721 -9.301 30 3HG2 VAL 5 3HG2 VAL 5 1.274 -1.702 -9.609 31 H LEU 6 H LEU 6 2.480 -0.418 -7.503 32 HA LEU 6 HA LEU 6 4.892 -1.777 -6.460 33 1HB LEU 6 2HB LEU 6 5.149 0.558 -5.758 34 2HB LEU 6 3HB LEU 6 3.480 0.616 -5.193 35 HG LEU 6 HG LEU 6 4.090 -1.083 -3.426 36 1HD1 LEU 6 1HD1 LEU 6 6.900 -0.625 -4.534 37 2HD1 LEU 6 2HD1 LEU 6 6.537 -1.376 -2.970 38 3HD1 LEU 6 3HD1 LEU 6 6.021 -2.171 -4.465 39 1HD2 LEU 6 1HD2 LEU 6 5.381 0.538 -2.053 40 2HD2 LEU 6 2HD2 LEU 6 5.717 1.489 -3.517 41 3HD2 LEU 6 3HD2 LEU 6 4.052 1.315 -2.930 42 H GLU 7 H GLU 7 3.757 -3.593 -6.798 43 HA GLU 7 HA GLU 7 1.231 -4.063 -5.384 44 1HB GLU 7 2HB GLU 7 2.454 -5.197 -7.613 45 2HB GLU 7 3HB GLU 7 2.893 -6.329 -6.337 46 1HG GLU 7 2HG GLU 7 0.898 -7.055 -7.307 47 2HG GLU 7 3HG GLU 7 0.451 -6.425 -5.693 48 H LEU 8 H LEU 8 1.257 -4.451 -3.189 49 HA LEU 8 HA LEU 8 3.655 -5.815 -2.072 50 1HB LEU 8 2HB LEU 8 3.509 -4.353 -0.051 51 2HB LEU 8 3HB LEU 8 4.108 -3.634 -1.540 52 HG LEU 8 HG LEU 8 1.868 -2.552 -1.915 53 1HD1 LEU 8 1HD1 LEU 8 1.591 -3.407 1.013 54 2HD1 LEU 8 2HD1 LEU 8 0.650 -2.105 0.271 55 3HD1 LEU 8 3HD1 LEU 8 0.446 -3.761 -0.300 56 1HD2 LEU 8 1HD2 LEU 8 3.941 -1.414 -1.091 57 2HD2 LEU 8 2HD2 LEU 8 2.432 -0.696 -0.513 58 3HD2 LEU 8 3HD2 LEU 8 3.380 -1.739 0.563 59 H VAL 9 H VAL 9 3.343 -7.424 -0.733 60 HA VAL 9 HA VAL 9 0.575 -8.354 -0.262 61 HB VAL 9 HB VAL 9 1.781 -10.232 0.949 62 1HG1 VAL 9 1HG1 VAL 9 2.350 -11.369 -1.197 63 2HG1 VAL 9 2HG1 VAL 9 0.758 -10.592 -1.167 64 3HG1 VAL 9 3HG1 VAL 9 2.093 -9.820 -2.030 65 1HG2 VAL 9 1HG2 VAL 9 3.959 -9.103 1.258 66 2HG2 VAL 9 2HG2 VAL 9 4.072 -10.690 0.481 67 3HG2 VAL 9 3HG2 VAL 9 4.251 -9.227 -0.494 68 H VAL 10 H VAL 10 -0.369 -8.533 1.789 69 HA VAL 10 HA VAL 10 0.853 -6.909 3.969 70 HB VAL 10 HB VAL 10 -1.919 -6.552 2.815 71 1HG1 VAL 10 1HG1 VAL 10 -0.282 -4.968 4.841 72 2HG1 VAL 10 2HG1 VAL 10 -1.888 -4.492 4.299 73 3HG1 VAL 10 3HG1 VAL 10 -1.700 -5.971 5.253 74 1HG2 VAL 10 1HG2 VAL 10 -0.371 -5.631 1.205 75 2HG2 VAL 10 2HG2 VAL 10 -1.125 -4.304 2.095 76 3HG2 VAL 10 3HG2 VAL 10 0.533 -4.809 2.506 77 H ARG 11 H ARG 11 0.674 -7.981 5.846 78 HA ARG 11 HA ARG 11 -1.654 -9.797 6.227 79 1HB ARG 11 2HB ARG 11 0.842 -9.776 7.952 80 2HB ARG 11 3HB ARG 11 -0.461 -10.934 7.901 81 1HG ARG 11 2HG ARG 11 1.108 -12.109 6.790 82 2HG ARG 11 3HG ARG 11 0.313 -11.334 5.400 83 1HD ARG 11 2HD ARG 11 2.140 -9.646 5.332 84 2HD ARG 11 3HD ARG 11 2.795 -10.319 6.849 85 HE ARG 11 HE ARG 11 2.671 -12.347 4.859 86 1HH1 ARG 11 2HH2 ARG 11 4.473 -9.421 5.717 87 2HH1 ARG 11 1HH2 ARG 11 6.025 -10.035 5.246 88 1HH2 ARG 11 2HH1 ARG 11 4.716 -13.169 4.128 89 2HH2 ARG 11 1HH1 ARG 11 6.146 -12.197 4.243 90 H GLY 12 H GLY 12 -3.071 -9.243 7.581 91 1HA GLY 12 2HA GLY 12 -3.574 -8.501 9.913 92 2HA GLY 12 1HA GLY 12 -2.752 -6.988 9.543 93 H MET 13 H MET 13 -3.773 -7.222 6.666 94 HA MET 13 HA MET 13 -6.363 -6.022 6.707 95 1HB MET 13 2HB MET 13 -4.723 -7.554 4.654 96 2HB MET 13 3HB MET 13 -6.366 -6.971 4.319 97 1HG MET 13 2HG MET 13 -5.719 -4.718 4.733 98 2HG MET 13 3HG MET 13 -4.114 -5.169 5.284 99 1HE MET 13 1HE MET 13 -6.474 -5.828 2.160 100 2HE MET 13 2HE MET 13 -5.250 -6.039 0.886 101 3HE MET 13 3HE MET 13 -5.375 -7.220 2.205 102 H THR 14 H THR 14 -7.875 -7.093 7.867 103 HA THR 14 HA THR 14 -8.792 -9.753 6.880 104 HB THR 14 HB THR 14 -7.493 -9.958 8.972 105 HG1 THR 14 1HG THR 14 -10.275 -10.405 9.062 106 1HG2 THR 14 1HG2 THR 14 -8.335 -9.053 11.077 107 2HG2 THR 14 2HG2 THR 14 -7.968 -7.715 9.982 108 3HG2 THR 14 3HG2 THR 14 -9.651 -8.208 10.249 109 H CYS 15 H CYS 15 -9.742 -6.646 6.716 110 HA CYS 15 HA CYS 15 -12.553 -7.163 6.719 111 1HB CYS 15 2HB CYS 15 -12.302 -7.177 9.193 112 2HB CYS 15 3HB CYS 15 -11.455 -5.622 9.125 113 HG CYS 15 HG CYS 15 -14.522 -6.357 8.164 114 H ALA 16 H ALA 16 -13.695 -5.377 5.871 115 HA ALA 16 HA ALA 16 -12.603 -3.694 4.025 116 1HB ALA 16 1HB ALA 16 -14.988 -4.167 4.250 117 2HB ALA 16 2HB ALA 16 -15.062 -3.194 5.738 118 3HB ALA 16 3HB ALA 16 -14.694 -2.418 4.183 119 H SER 17 H SER 17 -13.046 -2.980 7.472 120 HA SER 17 HA SER 17 -12.349 -0.236 7.474 121 1HB SER 17 2HB SER 17 -11.897 -0.623 9.874 122 2HB SER 17 3HB SER 17 -13.419 -1.355 9.335 123 HG SER 17 HG SER 17 -12.012 -3.335 8.998 124 H CYS 18 H CYS 18 -10.162 -2.638 8.935 125 HA CYS 18 HA CYS 18 -7.763 -1.291 8.643 126 1HB CYS 18 2HB CYS 18 -6.711 -3.602 8.697 127 2HB CYS 18 3HB CYS 18 -7.774 -3.198 10.054 128 HG CYS 18 HG CYS 18 -8.838 -4.636 7.310 129 H VAL 19 H VAL 19 -9.495 -3.112 6.115 130 HA VAL 19 HA VAL 19 -7.433 -3.028 4.154 131 HB VAL 19 HB VAL 19 -10.423 -3.207 4.143 132 1HG1 VAL 19 1HG1 VAL 19 -10.074 -1.956 2.116 133 2HG1 VAL 19 2HG1 VAL 19 -8.729 -3.025 1.655 134 3HG1 VAL 19 3HG1 VAL 19 -10.391 -3.643 1.717 135 1HG2 VAL 19 1HG2 VAL 19 -8.879 -5.167 4.719 136 2HG2 VAL 19 2HG2 VAL 19 -10.079 -5.418 3.440 137 3HG2 VAL 19 3HG2 VAL 19 -8.381 -5.117 3.023 138 H HIS 20 H HIS 20 -10.307 -0.762 4.403 139 HA HIS 20 HA HIS 20 -8.928 0.928 2.594 140 1HB HIS 20 2HB HIS 20 -10.720 2.331 2.475 141 2HB HIS 20 3HB HIS 20 -11.360 0.700 2.630 142 HD1 HIS 20 1HD HIS 20 -13.417 2.757 3.161 143 HD2 HIS 20 2HD HIS 20 -10.573 1.818 6.072 144 HE1 HIS 20 1HE HIS 20 -14.305 3.617 5.400 145 H LYS 21 H LYS 21 -8.607 0.683 5.970 146 HA LYS 21 HA LYS 21 -7.814 3.216 6.780 147 1HB LYS 21 2HB LYS 21 -7.916 1.063 8.121 148 2HB LYS 21 3HB LYS 21 -6.379 0.582 7.382 149 1HG LYS 21 2HG LYS 21 -5.353 2.675 8.428 150 2HG LYS 21 3HG LYS 21 -6.902 2.914 9.256 151 1HD LYS 21 2HD LYS 21 -6.594 0.413 10.042 152 2HD LYS 21 3HD LYS 21 -4.915 0.614 9.507 153 1HE LYS 21 2HE LYS 21 -4.885 2.695 11.075 154 2HE LYS 21 3HE LYS 21 -6.417 2.103 11.710 155 1HZ LYS 21 1HZ LYS 21 -5.228 0.035 12.302 156 2HZ LYS 21 2HZ LYS 21 -3.802 0.701 11.815 157 3HZ LYS 21 3HZ LYS 21 -4.616 1.357 13.058 158 H ILE 22 H ILE 22 -6.106 0.748 4.894 159 HA ILE 22 HA ILE 22 -3.554 1.985 4.669 160 HB ILE 22 HB ILE 22 -4.992 -0.076 2.942 161 1HG1 ILE 22 2HG1 ILE 22 -2.894 -0.442 5.047 162 2HG1 ILE 22 3HG1 ILE 22 -4.614 -0.575 5.421 163 1HG2 ILE 22 1HG2 ILE 22 -2.070 0.763 3.026 164 2HG2 ILE 22 2HG2 ILE 22 -2.665 -0.684 2.186 165 3HG2 ILE 22 3HG2 ILE 22 -3.170 0.913 1.649 166 1HD1 ILE 22 1HD1 ILE 22 -3.271 -2.414 3.450 167 2HD1 ILE 22 2HD1 ILE 22 -3.589 -2.751 5.165 168 3HD1 ILE 22 3HD1 ILE 22 -4.944 -2.453 4.083 169 H GLU 23 H GLU 23 -6.262 1.763 2.253 170 HA GLU 23 HA GLU 23 -4.929 3.473 0.421 171 1HB GLU 23 2HB GLU 23 -6.882 3.449 -0.898 172 2HB GLU 23 3HB GLU 23 -6.770 1.871 -0.110 173 1HG GLU 23 2HG GLU 23 -8.998 2.409 -0.063 174 2HG GLU 23 3HG GLU 23 -8.390 2.702 1.580 175 H SER 24 H SER 24 -7.492 4.228 2.832 176 HA SER 24 HA SER 24 -7.592 6.949 2.244 177 1HB SER 24 2HB SER 24 -9.235 5.882 3.652 178 2HB SER 24 3HB SER 24 -8.050 5.693 4.960 179 HG SER 24 HG SER 24 -9.401 7.611 5.095 180 H SER 25 H SER 25 -5.415 5.235 4.623 181 HA SER 25 HA SER 25 -4.019 7.539 5.501 182 1HB SER 25 2HB SER 25 -3.724 5.331 6.527 183 2HB SER 25 3HB SER 25 -2.967 4.717 5.044 184 HG SER 25 HG SER 25 -2.010 6.877 6.628 185 H LEU 26 H LEU 26 -3.163 5.407 2.700 186 HA LEU 26 HA LEU 26 -0.919 7.088 2.239 187 1HB LEU 26 2HB LEU 26 -2.122 5.135 0.289 188 2HB LEU 26 3HB LEU 26 -0.473 5.832 0.277 189 HG LEU 26 HG LEU 26 -1.428 4.182 2.630 190 1HD1 LEU 26 1HD1 LEU 26 -1.736 2.846 0.667 191 2HD1 LEU 26 2HD1 LEU 26 -0.096 3.226 0.090 192 3HD1 LEU 26 3HD1 LEU 26 -0.336 2.270 1.581 193 1HD2 LEU 26 1HD2 LEU 26 0.544 5.502 3.053 194 2HD2 LEU 26 2HD2 LEU 26 1.007 3.805 2.874 195 3HD2 LEU 26 3HD2 LEU 26 1.305 4.951 1.551 196 H THR 27 H THR 27 -4.178 7.082 0.738 197 HA THR 27 HA THR 27 -3.624 8.832 -1.392 198 HB THR 27 HB THR 27 -6.100 9.438 -1.179 199 HG1 THR 27 1HG THR 27 -6.174 7.402 0.731 200 1HG2 THR 27 1HG2 THR 27 -5.424 7.657 -2.647 201 2HG2 THR 27 2HG2 THR 27 -5.262 6.513 -1.306 202 3HG2 THR 27 3HG2 THR 27 -6.861 7.140 -1.743 203 H LYS 28 H LYS 28 -3.433 9.585 1.956 204 HA LYS 28 HA LYS 28 -4.016 12.416 1.825 205 1HB LYS 28 2HB LYS 28 -2.194 10.911 3.726 206 2HB LYS 28 3HB LYS 28 -2.905 12.493 4.006 207 1HG LYS 28 2HG LYS 28 -4.495 9.953 3.609 208 2HG LYS 28 3HG LYS 28 -3.962 10.439 5.172 209 1HD LYS 28 2HD LYS 28 -5.375 12.456 5.043 210 2HD LYS 28 3HD LYS 28 -5.786 12.139 3.354 211 1HE LYS 28 2HE LYS 28 -6.458 10.204 5.622 212 2HE LYS 28 3HE LYS 28 -7.558 11.496 5.124 213 1HZ LYS 28 1HZ LYS 28 -6.578 9.435 3.269 214 2HZ LYS 28 2HZ LYS 28 -7.948 9.240 4.104 215 3HZ LYS 28 3HZ LYS 28 -7.817 10.478 3.008 216 H HIS 29 H HIS 29 -1.131 10.386 1.148 217 HA HIS 29 HA HIS 29 0.677 12.681 0.950 218 1HB HIS 29 2HB HIS 29 1.167 10.097 -0.510 219 2HB HIS 29 3HB HIS 29 2.304 11.234 0.192 220 HD1 HIS 29 1HD HIS 29 2.703 10.867 2.946 221 HD2 HIS 29 2HD HIS 29 0.655 7.948 0.733 222 HE1 HIS 29 1HE HIS 29 2.848 8.645 4.241 223 H ARG 30 H ARG 30 0.707 14.053 -0.871 224 HA ARG 30 HA ARG 30 -0.913 13.343 -3.239 225 1HB ARG 30 2HB ARG 30 0.720 15.832 -2.573 226 2HB ARG 30 3HB ARG 30 -0.235 15.572 -4.032 227 1HG ARG 30 2HG ARG 30 -1.934 16.522 -3.016 228 2HG ARG 30 3HG ARG 30 -2.146 15.041 -2.093 229 1HD ARG 30 2HD ARG 30 -0.366 17.364 -1.235 230 2HD ARG 30 3HD ARG 30 -2.086 17.273 -0.828 231 HE ARG 30 HE ARG 30 -1.372 14.913 0.167 232 1HH1 ARG 30 2HH2 ARG 30 0.136 18.094 0.603 233 2HH1 ARG 30 1HH2 ARG 30 0.679 17.759 2.217 234 1HH2 ARG 30 2HH1 ARG 30 -0.767 14.502 2.208 235 2HH2 ARG 30 1HH1 ARG 30 0.173 15.615 3.188 236 H GLY 31 H GLY 31 0.870 11.471 -2.881 237 1HA GLY 31 2HA GLY 31 2.997 11.842 -4.942 238 2HA GLY 31 1HA GLY 31 3.350 11.160 -3.361 239 H ILE 32 H ILE 32 0.421 9.933 -3.560 240 HA ILE 32 HA ILE 32 1.214 7.556 -5.153 241 HB ILE 32 HB ILE 32 1.073 7.028 -2.822 242 1HG1 ILE 32 2HG1 ILE 32 -1.429 6.065 -4.288 243 2HG1 ILE 32 3HG1 ILE 32 0.225 5.472 -4.542 244 1HG2 ILE 32 1HG2 ILE 32 -0.863 7.274 -1.474 245 2HG2 ILE 32 2HG2 ILE 32 -0.332 8.853 -1.997 246 3HG2 ILE 32 3HG2 ILE 32 -1.758 8.108 -2.768 247 1HD1 ILE 32 1HD1 ILE 32 0.328 4.745 -2.184 248 2HD1 ILE 32 2HD1 ILE 32 -1.382 5.236 -1.976 249 3HD1 ILE 32 3HD1 ILE 32 -0.972 3.973 -3.120 250 H LEU 33 H LEU 33 -0.211 6.869 -6.710 251 HA LEU 33 HA LEU 33 -2.199 8.842 -7.638 252 1HB LEU 33 2HB LEU 33 -1.311 6.234 -8.924 253 2HB LEU 33 3HB LEU 33 -2.207 7.551 -9.674 254 HG LEU 33 HG LEU 33 0.693 7.686 -8.710 255 1HD1 LEU 33 1HD1 LEU 33 0.356 6.219 -10.650 256 2HD1 LEU 33 2HD1 LEU 33 -0.498 7.520 -11.508 257 3HD1 LEU 33 3HD1 LEU 33 1.222 7.694 -11.107 258 1HD2 LEU 33 1HD2 LEU 33 -0.999 9.723 -10.230 259 2HD2 LEU 33 2HD2 LEU 33 -0.348 9.913 -8.584 260 3HD2 LEU 33 3HD2 LEU 33 0.755 9.829 -9.964 261 H TYR 34 H TYR 34 -1.990 5.331 -6.724 262 HA TYR 34 HA TYR 34 -4.787 5.399 -5.903 263 1HB TYR 34 2HB TYR 34 -4.646 4.926 -8.482 264 2HB TYR 34 3HB TYR 34 -3.954 3.369 -8.012 265 HD1 TYR 34 HD1 TYR 34 -6.884 5.632 -7.430 266 HD2 TYR 34 HD2 TYR 34 -5.408 1.584 -7.338 267 HE1 TYR 34 HE1 TYR 34 -9.077 4.851 -6.606 268 HE2 TYR 34 HE2 TYR 34 -7.599 0.812 -6.511 269 HH TYR 34 HH TYR 34 -9.713 1.407 -5.848 270 H CYS 35 H CYS 35 -5.436 3.314 -4.924 271 HA CYS 35 HA CYS 35 -3.264 1.533 -4.010 272 1HB CYS 35 2HB CYS 35 -3.188 3.502 -2.490 273 2HB CYS 35 3HB CYS 35 -4.891 3.228 -2.083 274 HG CYS 35 HG CYS 35 -3.416 2.321 -0.193 275 H SER 36 H SER 36 -4.377 -0.109 -5.068 276 HA SER 36 HA SER 36 -7.200 -0.606 -4.378 277 1HB SER 36 2HB SER 36 -5.825 -0.987 -6.742 278 2HB SER 36 3HB SER 36 -5.921 -2.633 -6.089 279 HG SER 36 HG SER 36 -7.763 -2.088 -7.300 280 H VAL 37 H VAL 37 -7.055 -1.156 -2.189 281 HA VAL 37 HA VAL 37 -5.231 -3.260 -1.265 282 HB VAL 37 HB VAL 37 -7.390 -1.731 0.293 283 1HG1 VAL 37 1HG1 VAL 37 -4.854 -3.134 1.144 284 2HG1 VAL 37 2HG1 VAL 37 -6.015 -2.281 2.186 285 3HG1 VAL 37 3HG1 VAL 37 -6.512 -3.761 1.359 286 1HG2 VAL 37 1HG2 VAL 37 -5.779 -0.144 -0.782 287 2HG2 VAL 37 2HG2 VAL 37 -5.806 -0.174 0.971 288 3HG2 VAL 37 3HG2 VAL 37 -4.480 -0.982 0.103 289 H ALA 38 H ALA 38 -5.784 -5.301 -2.011 290 HA ALA 38 HA ALA 38 -8.670 -6.060 -1.928 291 1HB ALA 38 1HB ALA 38 -8.021 -7.705 -3.607 292 2HB ALA 38 2HB ALA 38 -7.721 -6.039 -4.135 293 3HB ALA 38 3HB ALA 38 -6.360 -7.041 -3.605 294 H LEU 39 H LEU 39 -8.652 -6.550 0.252 295 HA LEU 39 HA LEU 39 -7.375 -8.334 1.851 296 1HB LEU 39 2HB LEU 39 -9.742 -7.127 1.939 297 2HB LEU 39 3HB LEU 39 -10.340 -8.670 1.357 298 HG LEU 39 HG LEU 39 -8.879 -8.064 3.963 299 1HD1 LEU 39 1HD1 LEU 39 -11.667 -9.125 3.312 300 2HD1 LEU 39 2HD1 LEU 39 -11.021 -8.881 4.940 301 3HD1 LEU 39 3HD1 LEU 39 -11.278 -7.487 3.877 302 1HD2 LEU 39 1HD2 LEU 39 -9.659 -10.789 2.839 303 2HD2 LEU 39 2HD2 LEU 39 -8.040 -10.239 3.358 304 3HD2 LEU 39 3HD2 LEU 39 -9.310 -10.481 4.551 305 H ALA 40 H ALA 40 -9.349 -9.130 -1.004 306 HA ALA 40 HA ALA 40 -9.641 -11.908 -0.661 307 1HB ALA 40 1HB ALA 40 -10.059 -11.950 -3.088 308 2HB ALA 40 2HB ALA 40 -10.879 -10.567 -2.331 309 3HB ALA 40 3HB ALA 40 -9.371 -10.323 -3.250 310 H THR 41 H THR 41 -6.856 -10.057 -1.723 311 HA THR 41 HA THR 41 -5.312 -12.556 -2.230 312 HB THR 41 HB THR 41 -5.751 -11.574 -4.349 313 HG1 THR 41 1HG THR 41 -3.206 -11.096 -3.325 314 1HG2 THR 41 1HG2 THR 41 -6.624 -9.452 -3.773 315 2HG2 THR 41 2HG2 THR 41 -5.015 -8.875 -3.267 316 3HG2 THR 41 3HG2 THR 41 -5.370 -9.290 -4.975 317 H ASN 42 H ASN 42 -5.850 -10.588 0.117 318 HA ASN 42 HA ASN 42 -4.755 -9.222 1.545 319 1HB ASN 42 2HB ASN 42 -3.772 -11.981 1.631 320 2HB ASN 42 3HB ASN 42 -2.691 -10.854 2.456 321 1HD2 ASN 42 1HD2 ASN 42 -3.517 -9.484 4.165 322 2HD2 ASN 42 2HD2 ASN 42 -5.046 -9.904 4.983 323 H LYS 43 H LYS 43 -4.220 -7.970 -0.558 324 HA LYS 43 HA LYS 43 -1.409 -7.143 -0.383 325 1HB LYS 43 2HB LYS 43 -1.049 -8.704 -2.060 326 2HB LYS 43 3HB LYS 43 -2.691 -8.633 -2.663 327 1HG LYS 43 2HG LYS 43 -0.804 -6.307 -3.162 328 2HG LYS 43 3HG LYS 43 -0.712 -7.757 -4.110 329 1HD LYS 43 2HD LYS 43 -3.405 -6.346 -3.776 330 2HD LYS 43 3HD LYS 43 -2.221 -5.775 -4.960 331 1HE LYS 43 2HE LYS 43 -3.293 -8.595 -4.786 332 2HE LYS 43 3HE LYS 43 -3.989 -7.338 -5.823 333 1HZ LYS 43 1HZ LYS 43 -2.497 -8.729 -7.056 334 2HZ LYS 43 2HZ LYS 43 -1.911 -7.197 -6.977 335 3HZ LYS 43 3HZ LYS 43 -1.239 -8.372 -6.058 336 H ALA 44 H ALA 44 -1.035 -5.099 -1.304 337 HA ALA 44 HA ALA 44 -3.444 -3.680 -2.288 338 1HB ALA 44 1HB ALA 44 -1.240 -2.283 -0.782 339 2HB ALA 44 2HB ALA 44 -2.764 -1.608 -1.368 340 3HB ALA 44 3HB ALA 44 -2.765 -2.779 -0.035 341 H HIS 45 H HIS 45 -3.361 -3.069 -4.211 342 HA HIS 45 HA HIS 45 -0.873 -3.027 -5.862 343 1HB HIS 45 2HB HIS 45 -3.086 -4.126 -6.552 344 2HB HIS 45 3HB HIS 45 -3.786 -2.510 -6.545 345 HD1 HIS 45 1HD HIS 45 -2.346 -4.842 -8.853 346 HD2 HIS 45 2HD HIS 45 -1.659 -0.879 -8.047 347 HE1 HIS 45 1HE HIS 45 -1.519 -3.848 -11.054 348 H ILE 46 H ILE 46 0.233 -1.271 -4.932 349 HA ILE 46 HA ILE 46 -1.193 1.321 -4.835 350 HB ILE 46 HB ILE 46 1.539 0.418 -3.909 351 1HG1 ILE 46 2HG1 ILE 46 0.769 1.657 -1.870 352 2HG1 ILE 46 3HG1 ILE 46 -0.804 1.897 -2.633 353 1HG2 ILE 46 1HG2 ILE 46 1.987 2.841 -3.423 354 2HG2 ILE 46 2HG2 ILE 46 2.064 2.424 -5.133 355 3HG2 ILE 46 3HG2 ILE 46 0.637 3.245 -4.498 356 1HD1 ILE 46 1HD1 ILE 46 -0.665 0.009 -1.008 357 2HD1 ILE 46 2HD1 ILE 46 -1.271 -0.430 -2.616 358 3HD1 ILE 46 3HD1 ILE 46 0.401 -0.836 -2.155 359 H LYS 47 H LYS 47 -0.970 2.816 -6.343 360 HA LYS 47 HA LYS 47 1.003 2.441 -8.546 361 1HB LYS 47 2HB LYS 47 -1.770 3.670 -8.559 362 2HB LYS 47 3HB LYS 47 -0.579 3.911 -9.850 363 1HG LYS 47 2HG LYS 47 -1.921 1.307 -9.029 364 2HG LYS 47 3HG LYS 47 -2.211 2.273 -10.477 365 1HD LYS 47 2HD LYS 47 0.489 1.839 -10.769 366 2HD LYS 47 3HD LYS 47 0.051 0.417 -9.804 367 1HE LYS 47 2HE LYS 47 -0.205 -0.302 -12.064 368 2HE LYS 47 3HE LYS 47 -1.853 0.050 -11.523 369 1HZ LYS 47 1HZ LYS 47 -0.157 1.598 -13.365 370 2HZ LYS 47 2HZ LYS 47 -1.755 1.220 -13.510 371 3HZ LYS 47 3HZ LYS 47 -1.163 2.411 -12.497 372 H TYR 48 H TYR 48 2.558 3.979 -8.277 373 HA TYR 48 HA TYR 48 2.044 6.590 -7.068 374 1HB TYR 48 2HB TYR 48 3.579 6.405 -5.330 375 2HB TYR 48 3HB TYR 48 2.694 4.897 -5.187 376 HD1 TYR 48 HD1 TYR 48 3.849 2.896 -6.750 377 HD2 TYR 48 HD2 TYR 48 5.902 6.307 -5.102 378 HE1 TYR 48 HE1 TYR 48 6.030 1.897 -7.346 379 HE2 TYR 48 HE2 TYR 48 8.041 5.107 -5.302 380 HH TYR 48 HH TYR 48 8.296 1.967 -7.000 381 H ASP 49 H ASP 49 4.469 7.715 -7.224 382 HA ASP 49 HA ASP 49 5.920 6.439 -9.456 383 1HB ASP 49 2HB ASP 49 4.943 9.288 -9.533 384 2HB ASP 49 3HB ASP 49 6.369 8.767 -10.430 385 HA PRO 50 HA PRO 50 9.009 6.840 -6.460 386 1HB PRO 50 2HB PRO 50 11.168 5.842 -7.751 387 2HB PRO 50 3HB PRO 50 9.695 4.874 -7.498 388 1HG PRO 50 2HG PRO 50 10.386 6.498 -9.973 389 2HG PRO 50 3HG PRO 50 9.984 4.754 -9.899 390 1HD PRO 50 2HD PRO 50 8.064 6.587 -10.438 391 2HD PRO 50 3HD PRO 50 7.731 5.207 -9.345 392 H GLU 51 H GLU 51 8.536 9.259 -6.810 393 HA GLU 51 HA GLU 51 11.051 10.660 -6.670 394 1HB GLU 51 2HB GLU 51 10.545 12.306 -8.520 395 2HB GLU 51 3HB GLU 51 11.104 10.714 -9.034 396 1HG GLU 51 2HG GLU 51 8.828 10.048 -9.663 397 2HG GLU 51 3HG GLU 51 8.186 11.598 -9.083 398 H ILE 52 H ILE 52 7.523 10.932 -7.105 399 HA ILE 52 HA ILE 52 7.371 13.356 -5.453 400 HB ILE 52 HB ILE 52 4.924 13.015 -5.687 401 1HG1 ILE 52 2HG1 ILE 52 5.676 10.789 -7.657 402 2HG1 ILE 52 3HG1 ILE 52 4.870 10.576 -6.102 403 1HG2 ILE 52 1HG2 ILE 52 6.333 14.450 -7.186 404 2HG2 ILE 52 2HG2 ILE 52 6.432 13.092 -8.330 405 3HG2 ILE 52 3HG2 ILE 52 4.866 13.852 -7.966 406 1HD1 ILE 52 1HD1 ILE 52 3.836 11.913 -8.633 407 2HD1 ILE 52 2HD1 ILE 52 3.172 10.515 -7.783 408 3HD1 ILE 52 3HD1 ILE 52 3.018 12.138 -7.077 409 H ILE 53 H ILE 53 7.199 9.838 -5.122 410 HA ILE 53 HA ILE 53 7.695 10.235 -2.330 411 HB ILE 53 HB ILE 53 5.135 10.200 -2.606 412 1HG1 ILE 53 2HG1 ILE 53 6.441 8.149 -0.831 413 2HG1 ILE 53 3HG1 ILE 53 6.324 9.912 -0.592 414 1HG2 ILE 53 1HG2 ILE 53 5.128 8.369 -4.336 415 2HG2 ILE 53 2HG2 ILE 53 5.515 7.217 -3.017 416 3HG2 ILE 53 3HG2 ILE 53 3.995 8.127 -2.998 417 1HD1 ILE 53 1HD1 ILE 53 3.999 7.929 -0.684 418 2HD1 ILE 53 2HD1 ILE 53 4.589 8.807 0.737 419 3HD1 ILE 53 3HD1 ILE 53 3.828 9.696 -0.601 420 H GLY 54 H GLY 54 8.705 8.272 -1.418 421 1HA GLY 54 2HA GLY 54 9.765 6.467 -3.524 422 2HA GLY 54 1HA GLY 54 10.324 6.625 -1.859 423 HA PRO 55 HA PRO 55 7.112 3.144 -2.318 424 1HB PRO 55 2HB PRO 55 8.700 0.904 -2.338 425 2HB PRO 55 3HB PRO 55 8.245 1.806 -3.810 426 1HG PRO 55 2HG PRO 55 10.836 2.005 -2.263 427 2HG PRO 55 3HG PRO 55 10.604 1.884 -4.026 428 1HD PRO 55 2HD PRO 55 11.015 4.289 -2.763 429 2HD PRO 55 3HD PRO 55 9.972 4.137 -4.203 430 H ARG 56 H ARG 56 10.238 3.030 -0.531 431 HA ARG 56 HA ARG 56 9.294 1.510 1.633 432 1HB ARG 56 2HB ARG 56 11.677 1.798 1.145 433 2HB ARG 56 3HB ARG 56 11.559 3.520 1.532 434 1HG ARG 56 2HG ARG 56 12.592 2.387 3.384 435 2HG ARG 56 3HG ARG 56 11.001 2.969 3.857 436 1HD ARG 56 2HD ARG 56 10.156 0.576 3.408 437 2HD ARG 56 3HD ARG 56 11.861 0.099 3.301 438 HE ARG 56 HE ARG 56 11.562 1.537 5.708 439 1HH1 ARG 56 2HH2 ARG 56 10.098 -1.437 4.403 440 2HH1 ARG 56 1HH2 ARG 56 9.360 -1.836 5.946 441 1HH2 ARG 56 2HH1 ARG 56 10.845 0.832 7.680 442 2HH2 ARG 56 1HH1 ARG 56 9.650 -0.438 7.764 443 H ASP 57 H ASP 57 9.011 4.973 1.000 444 HA ASP 57 HA ASP 57 8.154 5.932 3.441 445 1HB ASP 57 2HB ASP 57 6.823 6.788 0.864 446 2HB ASP 57 3HB ASP 57 7.304 7.773 2.233 447 H ILE 58 H ILE 58 6.206 4.633 0.739 448 HA ILE 58 HA ILE 58 3.666 4.587 2.079 449 HB ILE 58 HB ILE 58 4.816 3.192 -0.357 450 1HG1 ILE 58 2HG1 ILE 58 2.237 4.551 -0.583 451 2HG1 ILE 58 3HG1 ILE 58 3.491 5.638 0.040 452 1HG2 ILE 58 1HG2 ILE 58 3.491 1.437 0.548 453 2HG2 ILE 58 2HG2 ILE 58 2.145 2.559 0.881 454 3HG2 ILE 58 3HG2 ILE 58 2.630 2.183 -0.791 455 1HD1 ILE 58 1HD1 ILE 58 3.784 3.941 -2.471 456 2HD1 ILE 58 2HD1 ILE 58 3.368 5.668 -2.435 457 3HD1 ILE 58 3HD1 ILE 58 4.951 5.119 -1.842 458 H ILE 59 H ILE 59 6.262 2.149 1.715 459 HA ILE 59 HA ILE 59 4.949 0.120 3.199 460 HB ILE 59 HB ILE 59 7.921 0.630 3.161 461 1HG1 ILE 59 2HG1 ILE 59 6.816 0.288 0.853 462 2HG1 ILE 59 3HG1 ILE 59 8.159 -0.767 1.280 463 1HG2 ILE 59 1HG2 ILE 59 8.037 -1.855 3.608 464 2HG2 ILE 59 2HG2 ILE 59 7.402 -0.871 4.937 465 3HG2 ILE 59 3HG2 ILE 59 6.293 -1.815 3.940 466 1HD1 ILE 59 1HD1 ILE 59 5.260 -1.553 1.647 467 2HD1 ILE 59 2HD1 ILE 59 6.188 -1.867 0.163 468 3HD1 ILE 59 3HD1 ILE 59 6.682 -2.616 1.691 469 H HIS 60 H HIS 60 7.114 2.715 4.518 470 HA HIS 60 HA HIS 60 7.012 1.953 7.236 471 1HB HIS 60 2HB HIS 60 7.298 4.665 5.838 472 2HB HIS 60 3HB HIS 60 7.306 4.501 7.591 473 HD1 HIS 60 1HD HIS 60 9.816 5.097 5.274 474 HD2 HIS 60 2HD HIS 60 9.150 2.175 8.215 475 HE1 HIS 60 1HE HIS 60 12.113 4.177 5.925 476 H THR 61 H THR 61 4.913 4.068 5.267 477 HA THR 61 HA THR 61 3.184 4.798 7.385 478 HB THR 61 HB THR 61 2.526 4.560 4.426 479 HG1 THR 61 1HG THR 61 4.345 5.812 4.681 480 1HG2 THR 61 1HG2 THR 61 1.324 6.152 6.733 481 2HG2 THR 61 2HG2 THR 61 1.066 6.566 5.033 482 3HG2 THR 61 3HG2 THR 61 0.508 5.002 5.640 483 H ILE 62 H ILE 62 2.945 2.039 5.060 484 HA ILE 62 HA ILE 62 0.545 0.940 6.106 485 HB ILE 62 HB ILE 62 2.886 -0.266 4.599 486 1HG1 ILE 62 2HG1 ILE 62 0.042 0.310 3.687 487 2HG1 ILE 62 3HG1 ILE 62 1.312 1.524 3.564 488 1HG2 ILE 62 1HG2 ILE 62 1.842 -2.100 5.801 489 2HG2 ILE 62 2HG2 ILE 62 0.218 -1.552 5.291 490 3HG2 ILE 62 3HG2 ILE 62 1.365 -2.190 4.112 491 1HD1 ILE 62 1HD1 ILE 62 1.117 0.377 1.442 492 2HD1 ILE 62 2HD1 ILE 62 2.680 -0.016 2.194 493 3HD1 ILE 62 3HD1 ILE 62 1.352 -1.192 2.213 494 H GLU 63 H GLU 63 3.950 0.081 6.910 495 HA GLU 63 HA GLU 63 3.501 -1.827 8.928 496 1HB GLU 63 2HB GLU 63 5.668 0.298 8.605 497 2HB GLU 63 3HB GLU 63 5.724 -0.978 9.823 498 1HG GLU 63 2HG GLU 63 5.796 -2.709 8.131 499 2HG GLU 63 3HG GLU 63 5.549 -1.541 6.834 500 H SER 64 H SER 64 3.953 1.666 9.245 501 HA SER 64 HA SER 64 3.544 1.985 11.979 502 1HB SER 64 2HB SER 64 4.507 3.668 10.532 503 2HB SER 64 3HB SER 64 3.004 3.865 9.638 504 HG SER 64 HG SER 64 3.310 5.473 11.272 505 H LEU 65 H LEU 65 1.024 2.244 9.374 506 HA LEU 65 HA LEU 65 -1.089 2.685 11.286 507 1HB LEU 65 2HB LEU 65 -1.066 1.853 8.364 508 2HB LEU 65 3HB LEU 65 -2.544 1.807 9.313 509 HG LEU 65 HG LEU 65 -2.632 3.769 8.160 510 1HD1 LEU 65 1HD1 LEU 65 -2.895 5.480 9.791 511 2HD1 LEU 65 2HD1 LEU 65 -3.216 3.963 10.640 512 3HD1 LEU 65 3HD1 LEU 65 -1.663 4.791 10.856 513 1HD2 LEU 65 1HD2 LEU 65 -0.915 5.586 8.308 514 2HD2 LEU 65 2HD2 LEU 65 0.170 4.444 9.102 515 3HD2 LEU 65 3HD2 LEU 65 -0.430 4.113 7.445 516 H GLY 66 H GLY 66 0.207 -0.331 9.836 517 1HA GLY 66 2HA GLY 66 -0.976 -1.765 12.069 518 2HA GLY 66 1HA GLY 66 -1.811 -2.119 10.551 519 H PHE 67 H PHE 67 0.453 -2.084 8.818 520 HA PHE 67 HA PHE 67 0.042 -4.933 9.341 521 1HB PHE 67 2HB PHE 67 0.324 -3.470 6.714 522 2HB PHE 67 3HB PHE 67 -0.345 -5.070 7.023 523 HD1 PHE 67 1HD PHE 67 -2.476 -5.353 8.141 524 HD2 PHE 67 2HD PHE 67 -1.038 -1.417 7.200 525 HE1 PHE 67 1HE PHE 67 -4.642 -4.395 8.873 526 HE2 PHE 67 2HE PHE 67 -3.234 -0.463 7.794 527 HZ PHE 67 HZ PHE 67 -5.039 -1.938 8.673 528 H GLU 68 H GLU 68 1.320 -6.686 8.679 529 HA GLU 68 HA GLU 68 4.202 -6.133 8.741 530 1HB GLU 68 2HB GLU 68 2.696 -8.733 8.393 531 2HB GLU 68 3HB GLU 68 4.386 -8.562 8.867 532 1HG GLU 68 2HG GLU 68 3.690 -7.600 11.020 533 2HG GLU 68 3HG GLU 68 1.984 -7.655 10.536 534 H ALA 69 H ALA 69 3.647 -4.856 6.555 535 HA ALA 69 HA ALA 69 2.978 -6.545 4.323 536 1HB ALA 69 1HB ALA 69 3.038 -4.428 3.018 537 2HB ALA 69 2HB ALA 69 2.126 -4.278 4.532 538 3HB ALA 69 3HB ALA 69 3.771 -3.604 4.414 539 H SER 70 H SER 70 4.129 -6.390 2.180 540 HA SER 70 HA SER 70 7.006 -5.876 2.270 541 1HB SER 70 2HB SER 70 6.391 -8.407 2.969 542 2HB SER 70 3HB SER 70 6.256 -8.602 1.217 543 HG SER 70 HG SER 70 8.401 -8.968 1.890 544 H LEU 71 H LEU 71 7.617 -5.105 0.261 545 HA LEU 71 HA LEU 71 5.730 -4.942 -1.956 546 1HB LEU 71 2HB LEU 71 7.650 -4.175 -3.247 547 2HB LEU 71 3HB LEU 71 7.324 -3.205 -1.816 548 HG LEU 71 HG LEU 71 9.351 -5.349 -1.370 549 1HD1 LEU 71 1HD1 LEU 71 11.137 -4.146 -2.551 550 2HD1 LEU 71 2HD1 LEU 71 9.903 -4.725 -3.686 551 3HD1 LEU 71 3HD1 LEU 71 9.948 -3.009 -3.224 552 1HD2 LEU 71 1HD2 LEU 71 8.828 -3.544 0.304 553 2HD2 LEU 71 2HD2 LEU 71 10.517 -3.524 -0.223 554 3HD2 LEU 71 3HD2 LEU 71 9.371 -2.336 -0.873 555 H VAL 72 H VAL 72 5.397 -6.380 -3.606 556 HA VAL 72 HA VAL 72 6.577 -9.031 -3.206 557 HB VAL 72 HB VAL 72 5.163 -9.835 -4.810 558 1HG1 VAL 72 1HG1 VAL 72 2.987 -9.165 -4.211 559 2HG1 VAL 72 2HG1 VAL 72 4.038 -8.998 -2.787 560 3HG1 VAL 72 3HG1 VAL 72 3.521 -7.562 -3.691 561 1HG2 VAL 72 1HG2 VAL 72 4.921 -7.018 -5.922 562 2HG2 VAL 72 2HG2 VAL 72 5.603 -8.429 -6.726 563 3HG2 VAL 72 3HG2 VAL 72 3.868 -8.377 -6.417 564 H LYS 73 H LYS 73 7.525 -10.066 -5.384 565 HA LYS 73 HA LYS 73 9.018 -8.111 -7.049 566 1HB LYS 73 2HB LYS 73 10.203 -10.470 -5.551 567 2HB LYS 73 3HB LYS 73 10.999 -9.714 -6.904 568 1HG LYS 73 2HG LYS 73 10.248 -8.438 -4.234 569 2HG LYS 73 3HG LYS 73 11.869 -8.916 -4.699 570 1HD LYS 73 2HD LYS 73 10.293 -6.655 -6.059 571 2HD LYS 73 3HD LYS 73 11.354 -6.444 -4.693 572 1HE LYS 73 2HE LYS 73 12.418 -5.835 -6.830 573 2HE LYS 73 3HE LYS 73 13.328 -7.083 -5.957 574 1HZ LYS 73 1HZ LYS 73 11.360 -7.744 -8.024 575 2HZ LYS 73 2HZ LYS 73 12.805 -7.442 -8.531 576 3HZ LYS 73 3HZ LYS 73 12.579 -8.693 -7.496 577 H ILE 74 H ILE 74 7.213 -8.563 -8.395 578 HA ILE 74 HA ILE 74 6.814 -11.146 -9.662 579 HB ILE 74 HB ILE 74 6.150 -8.273 -10.417 580 1HG1 ILE 74 2HG1 ILE 74 4.145 -10.466 -9.828 581 2HG1 ILE 74 3HG1 ILE 74 4.957 -9.682 -8.483 582 1HG2 ILE 74 1HG2 ILE 74 4.664 -9.261 -12.189 583 2HG2 ILE 74 2HG2 ILE 74 6.380 -9.478 -12.525 584 3HG2 ILE 74 3HG2 ILE 74 5.424 -10.838 -11.898 585 1HD1 ILE 74 1HD1 ILE 74 2.829 -8.569 -8.934 586 2HD1 ILE 74 2HD1 ILE 74 4.176 -7.462 -9.240 587 3HD1 ILE 74 3HD1 ILE 74 3.323 -8.223 -10.600 588 H GLU 75 H GLU 75 8.704 -8.216 -10.298 589 HA GLU 75 HA GLU 75 10.799 -9.753 -11.561 590 1HB GLU 75 2HB GLU 75 11.374 -7.704 -12.915 591 2HB GLU 75 3HB GLU 75 9.969 -8.597 -13.514 592 1HG GLU 75 2HG GLU 75 8.440 -6.940 -12.522 593 2HG GLU 75 3HG GLU 75 9.817 -6.064 -11.826 Start of MODEL 22 1 1H MET 1 H1 MET 1 7.401 5.752 -18.437 2 2H MET 1 H2 MET 1 7.343 7.415 -18.469 3 3H MET 1 H3 MET 1 6.118 6.514 -17.773 4 HA MET 1 HA MET 1 5.439 7.329 -19.903 5 1HB MET 1 2HB MET 1 7.634 7.286 -21.013 6 2HB MET 1 3HB MET 1 7.676 5.514 -20.919 7 1HG MET 1 2HG MET 1 5.655 5.373 -22.329 8 2HG MET 1 3HG MET 1 5.563 7.139 -22.414 9 1HE MET 1 1HE MET 1 8.626 8.007 -22.970 10 2HE MET 1 2HE MET 1 8.569 8.007 -24.744 11 3HE MET 1 3HE MET 1 7.188 8.637 -23.819 12 H GLY 2 H GLY 2 3.523 6.311 -19.754 13 1HA GLY 2 2HA GLY 2 2.114 4.832 -18.627 14 2HA GLY 2 1HA GLY 2 3.409 3.622 -18.504 15 H ASP 3 H ASP 3 1.918 4.548 -16.225 16 HA ASP 3 HA ASP 3 3.686 6.370 -14.716 17 1HB ASP 3 2HB ASP 3 1.787 6.381 -13.171 18 2HB ASP 3 3HB ASP 3 1.306 6.942 -14.777 19 H GLY 4 H GLY 4 4.166 5.636 -12.452 20 1HA GLY 4 2HA GLY 4 5.395 3.023 -12.688 21 2HA GLY 4 1HA GLY 4 5.526 4.150 -11.344 22 H VAL 5 H VAL 5 5.301 1.378 -10.920 23 HA VAL 5 HA VAL 5 2.903 1.255 -9.332 24 HB VAL 5 HB VAL 5 2.013 0.544 -11.495 25 1HG1 VAL 5 1HG1 VAL 5 4.078 -0.277 -12.576 26 2HG1 VAL 5 2HG1 VAL 5 4.115 -1.665 -11.464 27 3HG1 VAL 5 3HG1 VAL 5 2.789 -1.489 -12.627 28 1HG2 VAL 5 1HG2 VAL 5 1.183 -0.558 -9.405 29 2HG2 VAL 5 2HG2 VAL 5 1.017 -1.534 -10.876 30 3HG2 VAL 5 3HG2 VAL 5 2.298 -1.908 -9.716 31 H LEU 6 H LEU 6 2.965 -0.292 -7.725 32 HA LEU 6 HA LEU 6 5.092 -2.263 -7.596 33 1HB LEU 6 2HB LEU 6 6.126 -0.237 -6.600 34 2HB LEU 6 3HB LEU 6 4.739 -0.058 -5.514 35 HG LEU 6 HG LEU 6 5.387 -2.194 -4.393 36 1HD1 LEU 6 1HD1 LEU 6 6.530 -3.380 -6.241 37 2HD1 LEU 6 2HD1 LEU 6 7.746 -2.090 -6.342 38 3HD1 LEU 6 3HD1 LEU 6 7.667 -3.140 -4.917 39 1HD2 LEU 6 1HD2 LEU 6 7.645 -0.168 -4.621 40 2HD2 LEU 6 2HD2 LEU 6 6.206 -0.010 -3.589 41 3HD2 LEU 6 3HD2 LEU 6 7.374 -1.306 -3.285 42 H GLU 7 H GLU 7 4.507 -3.856 -5.873 43 HA GLU 7 HA GLU 7 1.889 -3.394 -4.588 44 1HB GLU 7 2HB GLU 7 2.703 -6.140 -5.533 45 2HB GLU 7 3HB GLU 7 1.213 -5.620 -4.736 46 1HG GLU 7 2HG GLU 7 0.891 -4.091 -6.843 47 2HG GLU 7 3HG GLU 7 2.249 -5.055 -7.435 48 H LEU 8 H LEU 8 1.778 -4.391 -2.571 49 HA LEU 8 HA LEU 8 4.065 -6.005 -1.787 50 1HB LEU 8 2HB LEU 8 4.291 -5.012 0.424 51 2HB LEU 8 3HB LEU 8 4.683 -3.846 -0.846 52 HG LEU 8 HG LEU 8 3.711 -2.824 1.016 53 1HD1 LEU 8 1HD1 LEU 8 1.921 -2.536 -1.404 54 2HD1 LEU 8 2HD1 LEU 8 2.142 -1.395 -0.068 55 3HD1 LEU 8 3HD1 LEU 8 3.496 -1.769 -1.147 56 1HD2 LEU 8 1HD2 LEU 8 1.036 -4.095 0.468 57 2HD2 LEU 8 2HD2 LEU 8 2.184 -4.741 1.667 58 3HD2 LEU 8 3HD2 LEU 8 1.555 -3.095 1.823 59 H VAL 9 H VAL 9 3.635 -7.743 -0.612 60 HA VAL 9 HA VAL 9 0.783 -8.398 -0.177 61 HB VAL 9 HB VAL 9 3.386 -9.825 0.442 62 1HG1 VAL 9 1HG1 VAL 9 0.524 -10.700 1.054 63 2HG1 VAL 9 2HG1 VAL 9 1.946 -11.759 1.103 64 3HG1 VAL 9 3HG1 VAL 9 1.815 -10.415 2.242 65 1HG2 VAL 9 1HG2 VAL 9 2.584 -11.389 -1.262 66 2HG2 VAL 9 2HG2 VAL 9 1.044 -10.514 -1.400 67 3HG2 VAL 9 3HG2 VAL 9 2.547 -9.753 -1.947 68 H VAL 10 H VAL 10 -0.287 -7.997 1.705 69 HA VAL 10 HA VAL 10 1.180 -6.584 3.890 70 HB VAL 10 HB VAL 10 -1.810 -6.732 3.316 71 1HG1 VAL 10 1HG1 VAL 10 -1.761 -4.781 5.011 72 2HG1 VAL 10 2HG1 VAL 10 -1.507 -6.402 5.671 73 3HG1 VAL 10 3HG1 VAL 10 -0.125 -5.305 5.415 74 1HG2 VAL 10 1HG2 VAL 10 0.074 -4.402 2.991 75 2HG2 VAL 10 2HG2 VAL 10 -0.627 -5.344 1.638 76 3HG2 VAL 10 3HG2 VAL 10 -1.677 -4.400 2.708 77 H ARG 11 H ARG 11 1.032 -7.441 5.986 78 HA ARG 11 HA ARG 11 -0.474 -10.016 6.287 79 1HB ARG 11 2HB ARG 11 1.764 -9.094 8.046 80 2HB ARG 11 3HB ARG 11 1.032 -10.678 7.954 81 1HG ARG 11 2HG ARG 11 3.050 -11.057 6.951 82 2HG ARG 11 3HG ARG 11 2.057 -10.758 5.516 83 1HD ARG 11 2HD ARG 11 2.992 -8.551 5.239 84 2HD ARG 11 3HD ARG 11 3.562 -8.500 6.908 85 HE ARG 11 HE ARG 11 4.979 -9.448 4.608 86 1HH1 ARG 11 2HH2 ARG 11 4.725 -9.819 8.177 87 2HH1 ARG 11 1HH2 ARG 11 6.324 -10.445 8.314 88 1HH2 ARG 11 2HH1 ARG 11 7.023 -10.084 4.826 89 2HH2 ARG 11 1HH1 ARG 11 7.714 -10.628 6.348 90 H GLY 12 H GLY 12 -2.058 -9.910 7.853 91 1HA GLY 12 2HA GLY 12 -2.704 -9.397 10.081 92 2HA GLY 12 1HA GLY 12 -1.819 -7.870 10.019 93 H MET 13 H MET 13 -2.725 -6.774 7.616 94 HA MET 13 HA MET 13 -5.258 -5.785 8.408 95 1HB MET 13 2HB MET 13 -5.020 -4.258 6.753 96 2HB MET 13 3HB MET 13 -3.372 -4.871 6.706 97 1HG MET 13 2HG MET 13 -3.986 -4.868 4.449 98 2HG MET 13 3HG MET 13 -4.300 -6.529 4.910 99 1HE MET 13 1HE MET 13 -5.591 -6.448 2.551 100 2HE MET 13 2HE MET 13 -6.323 -7.520 3.764 101 3HE MET 13 3HE MET 13 -7.359 -6.488 2.747 102 H THR 14 H THR 14 -7.389 -6.186 7.581 103 HA THR 14 HA THR 14 -7.877 -8.419 5.811 104 HB THR 14 HB THR 14 -7.107 -9.743 7.630 105 HG1 THR 14 1HG THR 14 -8.941 -10.530 6.629 106 1HG2 THR 14 1HG2 THR 14 -7.473 -8.010 9.503 107 2HG2 THR 14 2HG2 THR 14 -9.148 -8.620 9.569 108 3HG2 THR 14 3HG2 THR 14 -7.798 -9.709 9.858 109 H CYS 15 H CYS 15 -9.538 -6.933 8.654 110 HA CYS 15 HA CYS 15 -12.090 -7.191 7.479 111 1HB CYS 15 2HB CYS 15 -11.763 -6.957 9.891 112 2HB CYS 15 3HB CYS 15 -11.083 -5.328 9.673 113 HG CYS 15 HG CYS 15 -13.448 -5.050 10.639 114 H ALA 16 H ALA 16 -13.471 -5.718 6.447 115 HA ALA 16 HA ALA 16 -12.904 -3.915 4.542 116 1HB ALA 16 1HB ALA 16 -15.119 -3.668 6.600 117 2HB ALA 16 2HB ALA 16 -15.069 -2.868 5.015 118 3HB ALA 16 3HB ALA 16 -15.147 -4.637 5.110 119 H SER 17 H SER 17 -13.214 -3.110 7.980 120 HA SER 17 HA SER 17 -12.821 -0.338 7.956 121 1HB SER 17 2HB SER 17 -12.331 -0.668 10.330 122 2HB SER 17 3HB SER 17 -13.673 -1.706 9.796 123 HG SER 17 HG SER 17 -11.749 -3.244 9.356 124 H CYS 18 H CYS 18 -10.410 -2.939 7.917 125 HA CYS 18 HA CYS 18 -8.103 -1.120 8.291 126 1HB CYS 18 2HB CYS 18 -8.316 -4.124 8.093 127 2HB CYS 18 3HB CYS 18 -6.797 -3.201 8.055 128 HG CYS 18 HG CYS 18 -9.202 -3.221 10.321 129 H VAL 19 H VAL 19 -9.642 -3.180 5.880 130 HA VAL 19 HA VAL 19 -8.035 -2.722 3.770 131 HB VAL 19 HB VAL 19 -10.903 -3.316 4.151 132 1HG1 VAL 19 1HG1 VAL 19 -9.939 -2.465 1.420 133 2HG1 VAL 19 2HG1 VAL 19 -11.348 -3.513 1.711 134 3HG1 VAL 19 3HG1 VAL 19 -11.354 -1.876 2.343 135 1HG2 VAL 19 1HG2 VAL 19 -10.404 -5.321 2.944 136 2HG2 VAL 19 2HG2 VAL 19 -8.814 -4.689 2.481 137 3HG2 VAL 19 3HG2 VAL 19 -9.181 -5.047 4.190 138 H HIS 20 H HIS 20 -10.991 -0.699 4.309 139 HA HIS 20 HA HIS 20 -10.109 1.152 2.315 140 1HB HIS 20 2HB HIS 20 -12.024 2.354 2.629 141 2HB HIS 20 3HB HIS 20 -12.503 0.699 2.991 142 HD1 HIS 20 1HD HIS 20 -13.721 3.673 4.070 143 HD2 HIS 20 2HD HIS 20 -11.604 0.691 6.126 144 HE1 HIS 20 1HE HIS 20 -14.291 3.944 6.546 145 H LYS 21 H LYS 21 -9.489 0.959 5.746 146 HA LYS 21 HA LYS 21 -8.694 3.675 6.182 147 1HB LYS 21 2HB LYS 21 -9.175 2.311 8.045 148 2HB LYS 21 3HB LYS 21 -7.956 1.094 7.574 149 1HG LYS 21 2HG LYS 21 -6.149 2.632 8.084 150 2HG LYS 21 3HG LYS 21 -7.285 3.962 8.313 151 1HD LYS 21 2HD LYS 21 -6.446 3.063 10.433 152 2HD LYS 21 3HD LYS 21 -8.200 2.952 10.335 153 1HE LYS 21 2HE LYS 21 -6.476 0.579 9.514 154 2HE LYS 21 3HE LYS 21 -6.692 0.927 11.229 155 1HZ LYS 21 1HZ LYS 21 -9.012 0.655 11.032 156 2HZ LYS 21 2HZ LYS 21 -8.974 0.483 9.400 157 3HZ LYS 21 3HZ LYS 21 -8.287 -0.666 10.361 158 H ILE 22 H ILE 22 -6.782 0.706 5.284 159 HA ILE 22 HA ILE 22 -4.272 2.043 4.879 160 HB ILE 22 HB ILE 22 -5.527 -0.382 3.568 161 1HG1 ILE 22 2HG1 ILE 22 -3.496 0.055 5.801 162 2HG1 ILE 22 3HG1 ILE 22 -5.087 -0.718 5.914 163 1HG2 ILE 22 1HG2 ILE 22 -2.632 0.519 3.356 164 2HG2 ILE 22 2HG2 ILE 22 -3.337 -0.944 2.639 165 3HG2 ILE 22 3HG2 ILE 22 -3.814 0.616 2.024 166 1HD1 ILE 22 1HD1 ILE 22 -4.221 -2.483 4.317 167 2HD1 ILE 22 2HD1 ILE 22 -2.591 -1.787 4.598 168 3HD1 ILE 22 3HD1 ILE 22 -3.515 -2.468 5.943 169 H GLU 23 H GLU 23 -6.892 1.406 2.474 170 HA GLU 23 HA GLU 23 -5.616 2.708 0.356 171 1HB GLU 23 2HB GLU 23 -8.594 2.472 0.951 172 2HB GLU 23 3HB GLU 23 -7.904 2.943 -0.612 173 1HG GLU 23 2HG GLU 23 -6.657 0.850 -0.754 174 2HG GLU 23 3HG GLU 23 -7.243 0.322 0.819 175 H SER 24 H SER 24 -8.041 4.199 2.531 176 HA SER 24 HA SER 24 -7.762 6.854 1.659 177 1HB SER 24 2HB SER 24 -9.522 5.914 3.194 178 2HB SER 24 3HB SER 24 -8.331 5.922 4.506 179 HG SER 24 HG SER 24 -8.133 8.249 4.021 180 H SER 25 H SER 25 -5.818 5.043 4.062 181 HA SER 25 HA SER 25 -4.444 7.266 5.192 182 1HB SER 25 2HB SER 25 -3.900 4.276 5.075 183 2HB SER 25 3HB SER 25 -2.737 5.357 5.785 184 HG SER 25 HG SER 25 -4.654 6.154 7.058 185 H LEU 26 H LEU 26 -3.564 4.968 2.524 186 HA LEU 26 HA LEU 26 -1.117 6.470 2.072 187 1HB LEU 26 2HB LEU 26 -2.385 4.338 0.346 188 2HB LEU 26 3HB LEU 26 -0.848 5.180 0.078 189 HG LEU 26 HG LEU 26 -0.253 3.192 0.918 190 1HD1 LEU 26 1HD1 LEU 26 0.947 5.201 1.885 191 2HD1 LEU 26 2HD1 LEU 26 -0.025 4.985 3.355 192 3HD1 LEU 26 3HD1 LEU 26 1.079 3.707 2.831 193 1HD2 LEU 26 1HD2 LEU 26 -2.002 3.506 3.371 194 2HD2 LEU 26 2HD2 LEU 26 -2.344 2.477 1.944 195 3HD2 LEU 26 3HD2 LEU 26 -0.936 2.161 2.965 196 H THR 27 H THR 27 -4.387 6.546 0.548 197 HA THR 27 HA THR 27 -3.731 8.219 -1.580 198 HB THR 27 HB THR 27 -6.214 8.160 0.150 199 HG1 THR 27 1HG THR 27 -5.424 6.792 -2.205 200 1HG2 THR 27 1HG2 THR 27 -5.827 9.236 -2.687 201 2HG2 THR 27 2HG2 THR 27 -7.404 8.912 -1.936 202 3HG2 THR 27 3HG2 THR 27 -6.353 10.166 -1.265 203 H LYS 28 H LYS 28 -3.745 9.186 1.846 204 HA LYS 28 HA LYS 28 -3.947 11.979 1.364 205 1HB LYS 28 2HB LYS 28 -3.193 12.345 3.543 206 2HB LYS 28 3HB LYS 28 -3.970 10.753 3.624 207 1HG LYS 28 2HG LYS 28 -1.684 9.807 3.159 208 2HG LYS 28 3HG LYS 28 -0.982 11.396 3.472 209 1HD LYS 28 2HD LYS 28 -1.736 11.314 5.787 210 2HD LYS 28 3HD LYS 28 -2.598 9.780 5.481 211 1HE LYS 28 2HE LYS 28 -0.506 8.646 4.878 212 2HE LYS 28 3HE LYS 28 0.418 10.147 5.027 213 1HZ LYS 28 1HZ LYS 28 -0.036 10.101 7.379 214 2HZ LYS 28 2HZ LYS 28 -0.915 8.711 7.222 215 3HZ LYS 28 3HZ LYS 28 0.694 8.714 6.881 216 H HIS 29 H HIS 29 -1.241 9.764 0.684 217 HA HIS 29 HA HIS 29 0.829 11.812 0.815 218 1HB HIS 29 2HB HIS 29 0.850 9.072 -0.507 219 2HB HIS 29 3HB HIS 29 2.247 10.118 -0.284 220 HD1 HIS 29 1HD HIS 29 3.742 9.015 1.615 221 HD2 HIS 29 2HD HIS 29 -0.405 8.553 2.140 222 HE1 HIS 29 1HE HIS 29 3.399 7.374 3.469 223 H ARG 30 H ARG 30 1.902 12.767 -1.037 224 HA ARG 30 HA ARG 30 0.020 13.119 -3.338 225 1HB ARG 30 2HB ARG 30 2.226 14.982 -2.422 226 2HB ARG 30 3HB ARG 30 0.915 15.325 -3.556 227 1HG ARG 30 2HG ARG 30 0.654 14.823 -0.559 228 2HG ARG 30 3HG ARG 30 0.503 16.374 -1.378 229 1HD ARG 30 2HD ARG 30 -1.579 15.661 -2.485 230 2HD ARG 30 3HD ARG 30 -1.351 14.009 -1.938 231 HE ARG 30 HE ARG 30 -1.966 14.386 0.154 232 1HH1 ARG 30 2HH2 ARG 30 -1.734 17.497 -1.477 233 2HH1 ARG 30 1HH2 ARG 30 -2.654 18.388 -0.300 234 1HH2 ARG 30 2HH1 ARG 30 -3.185 15.496 1.733 235 2HH2 ARG 30 1HH1 ARG 30 -3.488 17.203 1.611 236 H GLY 31 H GLY 31 1.764 10.861 -3.292 237 1HA GLY 31 2HA GLY 31 2.659 11.300 -6.026 238 2HA GLY 31 1HA GLY 31 3.974 10.890 -4.909 239 H ILE 32 H ILE 32 0.678 9.722 -4.485 240 HA ILE 32 HA ILE 32 1.285 7.088 -5.667 241 HB ILE 32 HB ILE 32 1.207 6.755 -3.308 242 1HG1 ILE 32 2HG1 ILE 32 -1.493 5.936 -4.488 243 2HG1 ILE 32 3HG1 ILE 32 0.059 5.148 -4.847 244 1HG2 ILE 32 1HG2 ILE 32 -1.543 8.073 -3.211 245 2HG2 ILE 32 2HG2 ILE 32 -0.609 7.361 -1.878 246 3HG2 ILE 32 3HG2 ILE 32 -0.037 8.831 -2.650 247 1HD1 ILE 32 1HD1 ILE 32 0.320 4.726 -2.368 248 2HD1 ILE 32 2HD1 ILE 32 -1.374 5.262 -2.189 249 3HD1 ILE 32 3HD1 ILE 32 -0.991 3.845 -3.183 250 H LEU 33 H LEU 33 -0.187 6.511 -7.160 251 HA LEU 33 HA LEU 33 -2.221 8.533 -7.975 252 1HB LEU 33 2HB LEU 33 -1.129 6.089 -9.427 253 2HB LEU 33 3HB LEU 33 -2.145 7.363 -10.112 254 HG LEU 33 HG LEU 33 0.710 7.754 -9.061 255 1HD1 LEU 33 1HD1 LEU 33 0.634 6.365 -11.069 256 2HD1 LEU 33 2HD1 LEU 33 -0.338 7.596 -11.907 257 3HD1 LEU 33 3HD1 LEU 33 1.331 7.959 -11.409 258 1HD2 LEU 33 1HD2 LEU 33 -0.575 9.843 -8.872 259 2HD2 LEU 33 2HD2 LEU 33 0.558 9.950 -10.223 260 3HD2 LEU 33 3HD2 LEU 33 -1.165 9.654 -10.541 261 H TYR 34 H TYR 34 -1.843 5.059 -7.036 262 HA TYR 34 HA TYR 34 -4.599 5.174 -6.162 263 1HB TYR 34 2HB TYR 34 -4.651 4.620 -8.683 264 2HB TYR 34 3HB TYR 34 -3.806 3.124 -8.283 265 HD1 TYR 34 HD1 TYR 34 -5.146 1.221 -7.964 266 HD2 TYR 34 HD2 TYR 34 -6.749 5.135 -7.117 267 HE1 TYR 34 HE1 TYR 34 -7.282 0.208 -7.310 268 HE2 TYR 34 HE2 TYR 34 -8.786 4.131 -6.254 269 HH TYR 34 HH TYR 34 -9.941 2.116 -5.843 270 H CYS 35 H CYS 35 -4.995 3.738 -4.537 271 HA CYS 35 HA CYS 35 -3.099 1.524 -3.890 272 1HB CYS 35 2HB CYS 35 -2.949 3.266 -2.112 273 2HB CYS 35 3HB CYS 35 -4.718 3.204 -1.954 274 HG CYS 35 HG CYS 35 -3.717 1.800 -0.043 275 H SER 36 H SER 36 -4.274 -0.356 -4.180 276 HA SER 36 HA SER 36 -6.698 -0.131 -2.723 277 1HB SER 36 2HB SER 36 -7.787 -0.070 -4.869 278 2HB SER 36 3HB SER 36 -6.984 -1.585 -5.364 279 HG SER 36 HG SER 36 -8.573 -1.348 -2.996 280 H VAL 37 H VAL 37 -7.022 -1.784 -1.408 281 HA VAL 37 HA VAL 37 -4.800 -3.769 -1.372 282 HB VAL 37 HB VAL 37 -4.732 -1.999 0.332 283 1HG1 VAL 37 1HG1 VAL 37 -7.159 -1.936 0.899 284 2HG1 VAL 37 2HG1 VAL 37 -6.961 -3.499 1.732 285 3HG1 VAL 37 3HG1 VAL 37 -6.071 -2.087 2.296 286 1HG2 VAL 37 1HG2 VAL 37 -4.053 -3.560 2.118 287 2HG2 VAL 37 2HG2 VAL 37 -4.819 -4.891 1.211 288 3HG2 VAL 37 3HG2 VAL 37 -3.450 -4.013 0.517 289 H ALA 38 H ALA 38 -5.411 -5.542 -2.338 290 HA ALA 38 HA ALA 38 -8.265 -6.252 -2.312 291 1HB ALA 38 1HB ALA 38 -5.861 -7.308 -3.825 292 2HB ALA 38 2HB ALA 38 -7.537 -7.885 -4.024 293 3HB ALA 38 3HB ALA 38 -7.114 -6.211 -4.429 294 H LEU 39 H LEU 39 -8.380 -6.799 -0.125 295 HA LEU 39 HA LEU 39 -7.321 -8.544 1.557 296 1HB LEU 39 2HB LEU 39 -9.688 -7.457 1.451 297 2HB LEU 39 3HB LEU 39 -10.215 -8.974 0.733 298 HG LEU 39 HG LEU 39 -9.039 -8.491 3.502 299 1HD1 LEU 39 1HD1 LEU 39 -11.774 -9.462 2.549 300 2HD1 LEU 39 2HD1 LEU 39 -11.290 -9.229 4.239 301 3HD1 LEU 39 3HD1 LEU 39 -11.402 -7.833 3.155 302 1HD2 LEU 39 1HD2 LEU 39 -8.210 -10.672 2.960 303 2HD2 LEU 39 2HD2 LEU 39 -9.637 -10.908 3.958 304 3HD2 LEU 39 3HD2 LEU 39 -9.756 -11.151 2.205 305 H ALA 40 H ALA 40 -9.070 -9.674 -1.345 306 HA ALA 40 HA ALA 40 -9.098 -12.433 -0.825 307 1HB ALA 40 1HB ALA 40 -8.902 -11.007 -3.512 308 2HB ALA 40 2HB ALA 40 -9.437 -12.679 -3.253 309 3HB ALA 40 3HB ALA 40 -10.402 -11.335 -2.612 310 H THR 41 H THR 41 -6.486 -10.422 -2.039 311 HA THR 41 HA THR 41 -4.677 -12.785 -2.311 312 HB THR 41 HB THR 41 -5.204 -11.876 -4.493 313 HG1 THR 41 1HG THR 41 -2.670 -11.244 -3.456 314 1HG2 THR 41 1HG2 THR 41 -4.425 -9.149 -3.487 315 2HG2 THR 41 2HG2 THR 41 -4.800 -9.621 -5.174 316 3HG2 THR 41 3HG2 THR 41 -6.053 -9.707 -3.957 317 H ASN 42 H ASN 42 -5.482 -10.767 -0.113 318 HA ASN 42 HA ASN 42 -4.736 -8.922 0.911 319 1HB ASN 42 2HB ASN 42 -4.526 -11.165 2.171 320 2HB ASN 42 3HB ASN 42 -2.777 -10.895 2.117 321 1HD2 ASN 42 1HD2 ASN 42 -4.505 -10.964 4.478 322 2HD2 ASN 42 2HD2 ASN 42 -4.548 -9.352 5.188 323 H LYS 43 H LYS 43 -3.790 -8.026 -1.190 324 HA LYS 43 HA LYS 43 -1.036 -7.163 -0.585 325 1HB LYS 43 2HB LYS 43 -0.245 -8.296 -2.338 326 2HB LYS 43 3HB LYS 43 -1.827 -8.729 -2.930 327 1HG LYS 43 2HG LYS 43 -0.618 -6.044 -3.534 328 2HG LYS 43 3HG LYS 43 -0.288 -7.475 -4.478 329 1HD LYS 43 2HD LYS 43 -3.181 -6.664 -3.984 330 2HD LYS 43 3HD LYS 43 -2.218 -5.857 -5.223 331 1HE LYS 43 2HE LYS 43 -2.652 -8.859 -5.064 332 2HE LYS 43 3HE LYS 43 -3.675 -7.745 -6.003 333 1HZ LYS 43 1HZ LYS 43 -0.789 -8.135 -6.506 334 2HZ LYS 43 2HZ LYS 43 -2.019 -8.764 -7.410 335 3HZ LYS 43 3HZ LYS 43 -1.718 -7.138 -7.291 336 H ALA 44 H ALA 44 -0.522 -5.095 -1.330 337 HA ALA 44 HA ALA 44 -2.863 -3.285 -1.830 338 1HB ALA 44 1HB ALA 44 -1.514 -1.476 -1.016 339 2HB ALA 44 2HB ALA 44 -1.642 -2.692 0.266 340 3HB ALA 44 3HB ALA 44 -0.159 -2.559 -0.684 341 H HIS 45 H HIS 45 -3.037 -3.084 -3.929 342 HA HIS 45 HA HIS 45 -0.678 -3.069 -5.735 343 1HB HIS 45 2HB HIS 45 -2.893 -4.115 -6.427 344 2HB HIS 45 3HB HIS 45 -3.631 -2.516 -6.255 345 HD1 HIS 45 1HD HIS 45 -1.351 -4.521 -8.527 346 HD2 HIS 45 2HD HIS 45 -2.562 -0.559 -7.875 347 HE1 HIS 45 1HE HIS 45 -0.753 -3.243 -10.653 348 H ILE 46 H ILE 46 0.456 -1.310 -5.928 349 HA ILE 46 HA ILE 46 -0.735 1.302 -5.147 350 HB ILE 46 HB ILE 46 1.912 0.018 -4.433 351 1HG1 ILE 46 2HG1 ILE 46 -0.618 0.907 -2.959 352 2HG1 ILE 46 3HG1 ILE 46 0.118 -0.703 -3.030 353 1HG2 ILE 46 1HG2 ILE 46 1.031 2.895 -3.982 354 2HG2 ILE 46 2HG2 ILE 46 2.509 2.124 -3.351 355 3HG2 ILE 46 3HG2 ILE 46 2.327 2.354 -5.067 356 1HD1 ILE 46 1HD1 ILE 46 1.099 1.742 -1.594 357 2HD1 ILE 46 2HD1 ILE 46 0.601 0.184 -0.906 358 3HD1 ILE 46 3HD1 ILE 46 2.116 0.282 -1.860 359 H LYS 47 H LYS 47 -1.117 2.123 -7.081 360 HA LYS 47 HA LYS 47 0.992 2.202 -9.172 361 1HB LYS 47 2HB LYS 47 -1.778 3.344 -8.974 362 2HB LYS 47 3HB LYS 47 -0.650 3.636 -10.317 363 1HG LYS 47 2HG LYS 47 -0.624 0.876 -10.206 364 2HG LYS 47 3HG LYS 47 -2.243 1.209 -9.582 365 1HD LYS 47 2HD LYS 47 -2.589 1.049 -11.910 366 2HD LYS 47 3HD LYS 47 -2.474 2.802 -11.627 367 1HE LYS 47 2HE LYS 47 0.105 2.440 -12.119 368 2HE LYS 47 3HE LYS 47 -0.411 0.900 -12.823 369 1HZ LYS 47 1HZ LYS 47 -0.270 2.770 -14.431 370 2HZ LYS 47 2HZ LYS 47 -1.855 2.268 -14.322 371 3HZ LYS 47 3HZ LYS 47 -1.241 3.628 -13.565 372 H TYR 48 H TYR 48 2.512 3.847 -9.031 373 HA TYR 48 HA TYR 48 2.193 6.319 -7.582 374 1HB TYR 48 2HB TYR 48 3.325 5.887 -5.641 375 2HB TYR 48 3HB TYR 48 2.243 4.517 -5.716 376 HD1 TYR 48 HD1 TYR 48 4.970 5.047 -4.191 377 HD2 TYR 48 HD2 TYR 48 3.911 2.712 -7.642 378 HE1 TYR 48 HE1 TYR 48 7.250 4.095 -4.245 379 HE2 TYR 48 HE2 TYR 48 6.192 1.807 -7.738 380 HH TYR 48 HH TYR 48 8.275 1.776 -6.767 381 H ASP 49 H ASP 49 4.456 7.394 -7.521 382 HA ASP 49 HA ASP 49 6.354 6.004 -9.343 383 1HB ASP 49 2HB ASP 49 5.136 8.692 -9.821 384 2HB ASP 49 3HB ASP 49 6.873 8.512 -10.108 385 HA PRO 50 HA PRO 50 8.550 6.182 -5.805 386 1HB PRO 50 2HB PRO 50 11.207 5.954 -6.601 387 2HB PRO 50 3HB PRO 50 9.994 4.645 -6.640 388 1HG PRO 50 2HG PRO 50 10.815 6.462 -8.924 389 2HG PRO 50 3HG PRO 50 10.627 4.685 -8.941 390 1HD PRO 50 2HD PRO 50 8.650 6.276 -9.856 391 2HD PRO 50 3HD PRO 50 8.257 4.853 -8.839 392 H GLU 51 H GLU 51 10.246 8.391 -8.109 393 HA GLU 51 HA GLU 51 11.717 9.784 -6.229 394 1HB GLU 51 2HB GLU 51 11.754 11.623 -7.970 395 2HB GLU 51 3HB GLU 51 12.286 10.024 -8.495 396 1HG GLU 51 2HG GLU 51 10.170 9.629 -9.674 397 2HG GLU 51 3HG GLU 51 9.505 11.140 -9.032 398 H ILE 52 H ILE 52 8.316 10.274 -6.993 399 HA ILE 52 HA ILE 52 8.216 12.801 -5.454 400 HB ILE 52 HB ILE 52 5.824 12.806 -6.156 401 1HG1 ILE 52 2HG1 ILE 52 6.567 10.426 -7.919 402 2HG1 ILE 52 3HG1 ILE 52 5.574 10.332 -6.453 403 1HG2 ILE 52 1HG2 ILE 52 7.668 13.943 -7.411 404 2HG2 ILE 52 2HG2 ILE 52 7.792 12.511 -8.454 405 3HG2 ILE 52 3HG2 ILE 52 6.305 13.478 -8.436 406 1HD1 ILE 52 1HD1 ILE 52 4.948 11.704 -9.082 407 2HD1 ILE 52 2HD1 ILE 52 4.054 10.419 -8.250 408 3HD1 ILE 52 3HD1 ILE 52 4.047 12.075 -7.598 409 H ILE 53 H ILE 53 8.384 9.718 -4.350 410 HA ILE 53 HA ILE 53 6.704 10.422 -2.008 411 HB ILE 53 HB ILE 53 5.335 9.434 -3.894 412 1HG1 ILE 53 2HG1 ILE 53 4.369 9.683 -1.778 413 2HG1 ILE 53 3HG1 ILE 53 3.824 8.228 -2.609 414 1HG2 ILE 53 1HG2 ILE 53 6.942 7.704 -4.561 415 2HG2 ILE 53 2HG2 ILE 53 6.415 6.738 -3.167 416 3HG2 ILE 53 3HG2 ILE 53 5.253 7.232 -4.431 417 1HD1 ILE 53 1HD1 ILE 53 5.412 6.902 -1.176 418 2HD1 ILE 53 2HD1 ILE 53 5.831 8.424 -0.346 419 3HD1 ILE 53 3HD1 ILE 53 4.180 7.801 -0.258 420 H GLY 54 H GLY 54 8.703 7.849 -3.509 421 1HA GLY 54 2HA GLY 54 10.392 6.622 -2.576 422 2HA GLY 54 1HA GLY 54 10.169 7.404 -1.010 423 HA PRO 55 HA PRO 55 7.083 3.610 -1.626 424 1HB PRO 55 2HB PRO 55 8.593 1.282 -1.635 425 2HB PRO 55 3HB PRO 55 7.965 2.090 -3.092 426 1HG PRO 55 2HG PRO 55 10.725 2.316 -1.893 427 2HG PRO 55 3HG PRO 55 10.283 2.102 -3.612 428 1HD PRO 55 2HD PRO 55 10.942 4.515 -2.593 429 2HD PRO 55 3HD PRO 55 9.642 4.387 -3.813 430 H ARG 56 H ARG 56 10.194 3.826 0.066 431 HA ARG 56 HA ARG 56 9.586 2.380 2.372 432 1HB ARG 56 2HB ARG 56 11.804 3.473 1.660 433 2HB ARG 56 3HB ARG 56 11.181 4.944 2.437 434 1HG ARG 56 2HG ARG 56 10.761 3.493 4.516 435 2HG ARG 56 3HG ARG 56 11.625 2.190 3.710 436 1HD ARG 56 2HD ARG 56 12.750 4.954 4.349 437 2HD ARG 56 3HD ARG 56 13.002 3.479 5.312 438 HE ARG 56 HE ARG 56 13.780 2.933 2.641 439 1HH1 ARG 56 2HH2 ARG 56 14.812 4.842 5.406 440 2HH1 ARG 56 1HH2 ARG 56 16.499 4.864 4.997 441 1HH2 ARG 56 2HH1 ARG 56 16.026 2.923 2.037 442 2HH2 ARG 56 1HH1 ARG 56 17.201 3.729 3.022 443 H ASP 57 H ASP 57 8.457 5.675 1.459 444 HA ASP 57 HA ASP 57 7.592 6.407 4.132 445 1HB ASP 57 2HB ASP 57 8.098 8.116 2.492 446 2HB ASP 57 3HB ASP 57 6.941 7.427 1.349 447 H ILE 58 H ILE 58 5.972 5.116 1.198 448 HA ILE 58 HA ILE 58 3.398 4.713 2.379 449 HB ILE 58 HB ILE 58 4.946 3.546 0.085 450 1HG1 ILE 58 2HG1 ILE 58 2.158 4.705 0.010 451 2HG1 ILE 58 3HG1 ILE 58 3.544 5.770 0.255 452 1HG2 ILE 58 1HG2 ILE 58 3.030 2.142 -0.547 453 2HG2 ILE 58 2HG2 ILE 58 3.765 1.550 0.931 454 3HG2 ILE 58 3HG2 ILE 58 2.250 2.477 1.019 455 1HD1 ILE 58 1HD1 ILE 58 3.138 3.881 -2.080 456 2HD1 ILE 58 2HD1 ILE 58 3.070 5.655 -2.106 457 3HD1 ILE 58 3HD1 ILE 58 4.612 4.827 -1.788 458 H ILE 59 H ILE 59 6.221 2.479 2.204 459 HA ILE 59 HA ILE 59 4.993 0.349 3.593 460 HB ILE 59 HB ILE 59 7.893 1.172 3.351 461 1HG1 ILE 59 2HG1 ILE 59 6.429 -1.197 2.111 462 2HG1 ILE 59 3HG1 ILE 59 6.399 0.390 1.342 463 1HG2 ILE 59 1HG2 ILE 59 7.765 -0.166 5.386 464 2HG2 ILE 59 2HG2 ILE 59 6.734 -1.366 4.582 465 3HG2 ILE 59 3HG2 ILE 59 8.434 -1.171 4.111 466 1HD1 ILE 59 1HD1 ILE 59 8.861 0.432 1.242 467 2HD1 ILE 59 2HD1 ILE 59 8.916 -1.210 1.922 468 3HD1 ILE 59 3HD1 ILE 59 8.140 -0.921 0.353 469 H HIS 60 H HIS 60 7.068 2.955 4.958 470 HA HIS 60 HA HIS 60 6.884 2.434 7.678 471 1HB HIS 60 2HB HIS 60 6.688 5.135 6.268 472 2HB HIS 60 3HB HIS 60 6.905 4.915 7.997 473 HD1 HIS 60 1HD HIS 60 8.942 6.387 5.950 474 HD2 HIS 60 2HD HIS 60 9.249 2.700 7.941 475 HE1 HIS 60 1HE HIS 60 11.436 5.963 6.311 476 H THR 61 H THR 61 4.503 4.141 5.553 477 HA THR 61 HA THR 61 2.767 4.730 7.754 478 HB THR 61 HB THR 61 2.120 4.557 4.796 479 HG1 THR 61 1HG THR 61 3.764 6.031 5.267 480 1HG2 THR 61 1HG2 THR 61 0.059 4.573 6.133 481 2HG2 THR 61 2HG2 THR 61 0.693 5.895 7.139 482 3HG2 THR 61 3HG2 THR 61 0.325 6.175 5.421 483 H ILE 62 H ILE 62 2.757 2.030 5.393 484 HA ILE 62 HA ILE 62 0.386 0.776 6.328 485 HB ILE 62 HB ILE 62 2.781 -0.292 4.821 486 1HG1 ILE 62 2HG1 ILE 62 -0.082 0.407 4.026 487 2HG1 ILE 62 3HG1 ILE 62 1.295 1.494 3.803 488 1HG2 ILE 62 1HG2 ILE 62 0.123 -1.663 5.445 489 2HG2 ILE 62 2HG2 ILE 62 1.288 -2.226 4.229 490 3HG2 ILE 62 3HG2 ILE 62 1.750 -2.203 5.915 491 1HD1 ILE 62 1HD1 ILE 62 0.926 0.517 1.703 492 2HD1 ILE 62 2HD1 ILE 62 2.353 -0.319 2.354 493 3HD1 ILE 62 3HD1 ILE 62 0.747 -1.102 2.371 494 H GLU 63 H GLU 63 3.809 0.111 7.289 495 HA GLU 63 HA GLU 63 2.943 -1.784 9.320 496 1HB GLU 63 2HB GLU 63 5.231 -1.975 9.931 497 2HB GLU 63 3HB GLU 63 5.050 -1.985 8.176 498 1HG GLU 63 2HG GLU 63 5.638 0.550 8.305 499 2HG GLU 63 3HG GLU 63 6.193 0.194 9.941 500 H SER 64 H SER 64 3.764 1.663 9.431 501 HA SER 64 HA SER 64 3.554 1.841 12.260 502 1HB SER 64 2HB SER 64 4.690 3.542 10.934 503 2HB SER 64 3HB SER 64 3.157 4.029 10.192 504 HG SER 64 HG SER 64 2.577 4.185 12.652 505 H LEU 65 H LEU 65 0.901 1.797 9.775 506 HA LEU 65 HA LEU 65 -1.106 2.467 11.732 507 1HB LEU 65 2HB LEU 65 -1.145 0.796 9.206 508 2HB LEU 65 3HB LEU 65 -2.596 1.149 10.151 509 HG LEU 65 HG LEU 65 -0.821 3.453 9.290 510 1HD1 LEU 65 1HD1 LEU 65 -2.815 2.025 7.499 511 2HD1 LEU 65 2HD1 LEU 65 -2.013 3.580 7.159 512 3HD1 LEU 65 3HD1 LEU 65 -1.040 2.107 7.326 513 1HD2 LEU 65 1HD2 LEU 65 -2.952 4.647 9.232 514 2HD2 LEU 65 2HD2 LEU 65 -3.834 3.151 9.611 515 3HD2 LEU 65 3HD2 LEU 65 -2.725 3.865 10.807 516 H GLY 66 H GLY 66 -0.917 -0.870 10.411 517 1HA GLY 66 2HA GLY 66 -0.081 -1.934 12.996 518 2HA GLY 66 1HA GLY 66 -1.796 -2.213 12.656 519 H PHE 67 H PHE 67 0.412 -2.236 9.879 520 HA PHE 67 HA PHE 67 0.009 -5.212 9.734 521 1HB PHE 67 2HB PHE 67 -0.243 -3.357 7.371 522 2HB PHE 67 3HB PHE 67 -0.957 -4.926 7.656 523 HD1 PHE 67 1HD PHE 67 -2.661 -4.979 9.739 524 HD2 PHE 67 2HD PHE 67 -1.474 -1.392 7.672 525 HE1 PHE 67 1HE PHE 67 -4.845 -3.957 10.270 526 HE2 PHE 67 2HE PHE 67 -3.650 -0.353 8.221 527 HZ PHE 67 HZ PHE 67 -5.412 -1.719 9.297 528 H GLU 68 H GLU 68 2.144 -6.225 9.425 529 HA GLU 68 HA GLU 68 4.207 -4.417 8.336 530 1HB GLU 68 2HB GLU 68 5.083 -7.141 8.173 531 2HB GLU 68 3HB GLU 68 5.702 -5.786 9.099 532 1HG GLU 68 2HG GLU 68 5.258 -7.517 10.647 533 2HG GLU 68 3HG GLU 68 3.976 -6.326 10.897 534 H ALA 69 H ALA 69 5.286 -4.794 6.332 535 HA ALA 69 HA ALA 69 3.434 -5.783 4.195 536 1HB ALA 69 1HB ALA 69 4.377 -3.936 2.849 537 2HB ALA 69 2HB ALA 69 3.582 -3.327 4.316 538 3HB ALA 69 3HB ALA 69 5.356 -3.418 4.234 539 H SER 70 H SER 70 4.451 -6.499 2.230 540 HA SER 70 HA SER 70 7.402 -6.874 2.219 541 1HB SER 70 2HB SER 70 5.363 -9.109 1.816 542 2HB SER 70 3HB SER 70 7.109 -9.239 1.546 543 HG SER 70 HG SER 70 6.787 -8.170 3.935 544 H LEU 71 H LEU 71 7.499 -5.274 0.609 545 HA LEU 71 HA LEU 71 5.960 -5.187 -1.800 546 1HB LEU 71 2HB LEU 71 7.549 -3.804 -2.711 547 2HB LEU 71 3HB LEU 71 7.210 -3.295 -1.066 548 HG LEU 71 HG LEU 71 9.728 -4.791 -1.939 549 1HD1 LEU 71 1HD1 LEU 71 10.806 -2.559 -1.726 550 2HD1 LEU 71 2HD1 LEU 71 9.566 -2.573 -2.987 551 3HD1 LEU 71 3HD1 LEU 71 9.223 -1.822 -1.419 552 1HD2 LEU 71 1HD2 LEU 71 9.446 -5.136 0.438 553 2HD2 LEU 71 2HD2 LEU 71 10.603 -3.823 0.257 554 3HD2 LEU 71 3HD2 LEU 71 8.924 -3.445 0.684 555 H VAL 72 H VAL 72 5.850 -6.244 -3.567 556 HA VAL 72 HA VAL 72 7.657 -8.607 -3.859 557 HB VAL 72 HB VAL 72 5.756 -9.782 -4.799 558 1HG1 VAL 72 1HG1 VAL 72 4.786 -8.698 -2.203 559 2HG1 VAL 72 2HG1 VAL 72 4.666 -10.340 -2.848 560 3HG1 VAL 72 3HG1 VAL 72 6.235 -9.731 -2.288 561 1HG2 VAL 72 1HG2 VAL 72 4.036 -7.388 -4.071 562 2HG2 VAL 72 2HG2 VAL 72 4.436 -7.894 -5.728 563 3HG2 VAL 72 3HG2 VAL 72 3.469 -8.947 -4.689 564 H LYS 73 H LYS 73 8.368 -9.119 -5.906 565 HA LYS 73 HA LYS 73 8.661 -6.959 -7.783 566 1HB LYS 73 2HB LYS 73 10.409 -8.566 -7.592 567 2HB LYS 73 3HB LYS 73 9.310 -9.922 -7.805 568 1HG LYS 73 2HG LYS 73 10.799 -9.501 -9.743 569 2HG LYS 73 3HG LYS 73 9.090 -9.597 -10.116 570 1HD LYS 73 2HD LYS 73 10.178 -7.876 -11.425 571 2HD LYS 73 3HD LYS 73 8.930 -7.185 -10.408 572 1HE LYS 73 2HE LYS 73 10.747 -6.501 -8.750 573 2HE LYS 73 3HE LYS 73 11.945 -7.088 -9.912 574 1HZ LYS 73 1HZ LYS 73 11.079 -5.474 -11.484 575 2HZ LYS 73 2HZ LYS 73 9.963 -4.956 -10.392 576 3HZ LYS 73 3HZ LYS 73 11.565 -4.726 -10.101 577 H ILE 74 H ILE 74 6.798 -10.006 -7.844 578 HA ILE 74 HA ILE 74 5.387 -10.844 -9.336 579 HB ILE 74 HB ILE 74 3.967 -9.641 -7.833 580 1HG1 ILE 74 2HG1 ILE 74 2.613 -9.617 -10.545 581 2HG1 ILE 74 3HG1 ILE 74 3.128 -11.093 -9.724 582 1HG2 ILE 74 1HG2 ILE 74 3.890 -7.326 -9.805 583 2HG2 ILE 74 2HG2 ILE 74 2.790 -7.557 -8.445 584 3HG2 ILE 74 3HG2 ILE 74 4.501 -7.328 -8.143 585 1HD1 ILE 74 1HD1 ILE 74 1.741 -10.421 -7.742 586 2HD1 ILE 74 2HD1 ILE 74 1.131 -9.050 -8.699 587 3HD1 ILE 74 3HD1 ILE 74 0.820 -10.706 -9.231 588 H GLU 75 H GLU 75 3.973 -8.546 -11.341 589 HA GLU 75 HA GLU 75 6.102 -8.265 -13.240 590 1HB GLU 75 2HB GLU 75 3.582 -9.901 -13.851 591 2HB GLU 75 3HB GLU 75 4.779 -9.346 -15.028 592 1HG GLU 75 2HG GLU 75 6.515 -10.747 -13.879 593 2HG GLU 75 3HG GLU 75 5.258 -11.376 -12.797 Start of MODEL 23 1 1H MET 1 H1 MET 1 2.560 6.428 -18.313 2 2H MET 1 H2 MET 1 3.140 4.875 -18.388 3 3H MET 1 H3 MET 1 2.940 5.613 -16.941 4 HA MET 1 HA MET 1 5.228 5.597 -17.438 5 1HB MET 1 2HB MET 1 4.458 7.123 -19.962 6 2HB MET 1 3HB MET 1 6.105 6.803 -19.388 7 1HG MET 1 2HG MET 1 5.563 4.321 -19.515 8 2HG MET 1 3HG MET 1 4.100 4.767 -20.408 9 1HE MET 1 1HE MET 1 5.340 7.308 -22.145 10 2HE MET 1 2HE MET 1 5.695 6.409 -23.633 11 3HE MET 1 3HE MET 1 4.183 6.093 -22.752 12 H GLY 2 H GLY 2 3.669 6.823 -15.642 13 1HA GLY 2 2HA GLY 2 5.154 9.119 -14.890 14 2HA GLY 2 1HA GLY 2 3.548 9.619 -15.495 15 H ASP 3 H ASP 3 4.923 6.837 -13.815 16 HA ASP 3 HA ASP 3 3.393 6.541 -11.509 17 1HB ASP 3 2HB ASP 3 1.677 4.993 -12.267 18 2HB ASP 3 3HB ASP 3 1.403 6.524 -13.082 19 H GLY 4 H GLY 4 4.160 4.652 -10.528 20 1HA GLY 4 2HA GLY 4 5.302 2.470 -12.188 21 2HA GLY 4 1HA GLY 4 6.256 3.166 -10.853 22 H VAL 5 H VAL 5 4.778 0.457 -11.278 23 HA VAL 5 HA VAL 5 2.699 0.478 -9.221 24 HB VAL 5 HB VAL 5 3.985 -1.841 -10.696 25 1HG1 VAL 5 1HG1 VAL 5 1.951 -3.085 -9.969 26 2HG1 VAL 5 2HG1 VAL 5 3.018 -2.644 -8.640 27 3HG1 VAL 5 3HG1 VAL 5 1.533 -1.714 -8.915 28 1HG2 VAL 5 1HG2 VAL 5 2.747 -0.300 -12.234 29 2HG2 VAL 5 2HG2 VAL 5 2.000 -1.896 -12.085 30 3HG2 VAL 5 3HG2 VAL 5 1.310 -0.522 -11.214 31 H LEU 6 H LEU 6 2.945 -0.184 -7.143 32 HA LEU 6 HA LEU 6 5.389 -1.641 -6.309 33 1HB LEU 6 2HB LEU 6 5.694 0.701 -5.621 34 2HB LEU 6 3HB LEU 6 4.108 0.710 -4.849 35 HG LEU 6 HG LEU 6 5.007 -1.112 -3.279 36 1HD1 LEU 6 1HD1 LEU 6 7.500 -1.234 -3.104 37 2HD1 LEU 6 2HD1 LEU 6 6.897 -1.941 -4.609 38 3HD1 LEU 6 3HD1 LEU 6 7.636 -0.323 -4.619 39 1HD2 LEU 6 1HD2 LEU 6 6.382 1.602 -3.361 40 2HD2 LEU 6 2HD2 LEU 6 4.821 1.231 -2.605 41 3HD2 LEU 6 3HD2 LEU 6 6.309 0.534 -1.940 42 H GLU 7 H GLU 7 3.999 -3.543 -6.548 43 HA GLU 7 HA GLU 7 1.669 -3.618 -4.773 44 1HB GLU 7 2HB GLU 7 2.978 -6.036 -5.998 45 2HB GLU 7 3HB GLU 7 1.428 -5.890 -5.173 46 1HG GLU 7 2HG GLU 7 0.906 -4.076 -7.023 47 2HG GLU 7 3HG GLU 7 2.324 -4.820 -7.772 48 H LEU 8 H LEU 8 1.776 -4.224 -2.672 49 HA LEU 8 HA LEU 8 4.084 -5.849 -1.851 50 1HB LEU 8 2HB LEU 8 4.072 -4.863 0.391 51 2HB LEU 8 3HB LEU 8 4.690 -3.806 -0.865 52 HG LEU 8 HG LEU 8 3.525 -2.618 0.815 53 1HD1 LEU 8 1HD1 LEU 8 2.187 -1.166 -0.509 54 2HD1 LEU 8 2HD1 LEU 8 3.507 -1.763 -1.521 55 3HD1 LEU 8 3HD1 LEU 8 1.867 -2.409 -1.711 56 1HD2 LEU 8 1HD2 LEU 8 0.965 -4.013 0.032 57 2HD2 LEU 8 2HD2 LEU 8 1.946 -4.448 1.448 58 3HD2 LEU 8 3HD2 LEU 8 1.203 -2.847 1.330 59 H VAL 9 H VAL 9 3.662 -7.526 -0.455 60 HA VAL 9 HA VAL 9 0.878 -8.389 -0.430 61 HB VAL 9 HB VAL 9 2.646 -10.012 -0.886 62 1HG1 VAL 9 1HG1 VAL 9 3.424 -9.697 2.046 63 2HG1 VAL 9 2HG1 VAL 9 4.009 -10.942 0.927 64 3HG1 VAL 9 3HG1 VAL 9 4.407 -9.255 0.626 65 1HG2 VAL 9 1HG2 VAL 9 0.958 -10.549 1.583 66 2HG2 VAL 9 2HG2 VAL 9 0.530 -10.837 -0.123 67 3HG2 VAL 9 3HG2 VAL 9 1.807 -11.786 0.636 68 H VAL 10 H VAL 10 -0.392 -8.306 1.381 69 HA VAL 10 HA VAL 10 0.591 -6.708 3.707 70 HB VAL 10 HB VAL 10 -1.935 -6.206 3.918 71 1HG1 VAL 10 1HG1 VAL 10 -0.397 -4.874 1.699 72 2HG1 VAL 10 2HG1 VAL 10 -1.725 -4.171 2.645 73 3HG1 VAL 10 3HG1 VAL 10 -0.182 -4.538 3.440 74 1HG2 VAL 10 1HG2 VAL 10 -3.162 -6.012 1.773 75 2HG2 VAL 10 2HG2 VAL 10 -1.823 -6.737 0.918 76 3HG2 VAL 10 3HG2 VAL 10 -2.752 -7.700 2.100 77 H ARG 11 H ARG 11 0.300 -7.548 5.665 78 HA ARG 11 HA ARG 11 -1.488 -9.824 6.138 79 1HB ARG 11 2HB ARG 11 0.675 -10.710 7.464 80 2HB ARG 11 3HB ARG 11 0.324 -11.214 5.799 81 1HG ARG 11 2HG ARG 11 1.896 -9.635 4.882 82 2HG ARG 11 3HG ARG 11 2.063 -8.842 6.465 83 1HD ARG 11 2HD ARG 11 3.154 -10.810 7.367 84 2HD ARG 11 3HD ARG 11 2.990 -11.673 5.831 85 HE ARG 11 HE ARG 11 4.210 -9.270 5.159 86 1HH1 ARG 11 2HH2 ARG 11 5.048 -11.489 7.798 87 2HH1 ARG 11 1HH2 ARG 11 6.463 -10.477 8.084 88 1HH2 ARG 11 2HH1 ARG 11 6.499 -8.777 5.087 89 2HH2 ARG 11 1HH1 ARG 11 7.193 -9.024 6.671 90 H GLY 12 H GLY 12 -2.339 -9.603 8.101 91 1HA GLY 12 2HA GLY 12 -2.175 -8.810 10.456 92 2HA GLY 12 1HA GLY 12 -1.548 -7.283 9.827 93 H MET 13 H MET 13 -3.083 -6.736 7.650 94 HA MET 13 HA MET 13 -5.677 -6.059 8.699 95 1HB MET 13 2HB MET 13 -6.189 -5.474 6.292 96 2HB MET 13 3HB MET 13 -4.858 -4.588 7.019 97 1HG MET 13 2HG MET 13 -3.231 -5.635 5.812 98 2HG MET 13 3HG MET 13 -4.211 -7.056 5.412 99 1HE MET 13 1HE MET 13 -5.567 -7.334 3.325 100 2HE MET 13 2HE MET 13 -6.770 -6.332 4.178 101 3HE MET 13 3HE MET 13 -6.366 -5.993 2.477 102 H THR 14 H THR 14 -7.687 -6.873 8.169 103 HA THR 14 HA THR 14 -7.886 -9.529 6.846 104 HB THR 14 HB THR 14 -7.047 -9.950 9.097 105 HG1 THR 14 1HG THR 14 -9.714 -10.608 8.529 106 1HG2 THR 14 1HG2 THR 14 -8.347 -9.328 11.094 107 2HG2 THR 14 2HG2 THR 14 -7.767 -7.886 10.249 108 3HG2 THR 14 3HG2 THR 14 -9.468 -8.383 10.100 109 H CYS 15 H CYS 15 -9.374 -6.496 7.184 110 HA CYS 15 HA CYS 15 -12.017 -7.438 6.491 111 1HB CYS 15 2HB CYS 15 -13.119 -6.679 8.565 112 2HB CYS 15 3HB CYS 15 -12.022 -8.018 8.936 113 HG CYS 15 HG CYS 15 -12.076 -6.043 10.770 114 H ALA 16 H ALA 16 -13.477 -5.689 6.234 115 HA ALA 16 HA ALA 16 -12.791 -3.715 4.610 116 1HB ALA 16 1HB ALA 16 -14.866 -2.565 5.232 117 2HB ALA 16 2HB ALA 16 -15.077 -4.330 5.145 118 3HB ALA 16 3HB ALA 16 -14.960 -3.525 6.725 119 H SER 17 H SER 17 -13.025 -3.207 8.149 120 HA SER 17 HA SER 17 -12.442 -0.444 8.185 121 1HB SER 17 2HB SER 17 -11.996 -1.083 10.651 122 2HB SER 17 3HB SER 17 -13.604 -1.432 9.965 123 HG SER 17 HG SER 17 -11.620 -3.384 9.668 124 H CYS 18 H CYS 18 -10.292 -3.282 8.174 125 HA CYS 18 HA CYS 18 -7.865 -1.684 8.816 126 1HB CYS 18 2HB CYS 18 -8.273 -4.571 7.890 127 2HB CYS 18 3HB CYS 18 -6.707 -3.758 8.053 128 HG CYS 18 HG CYS 18 -8.978 -4.096 10.402 129 H VAL 19 H VAL 19 -9.425 -3.443 6.172 130 HA VAL 19 HA VAL 19 -7.732 -3.021 4.178 131 HB VAL 19 HB VAL 19 -10.617 -3.565 4.419 132 1HG1 VAL 19 1HG1 VAL 19 -11.033 -3.648 1.974 133 2HG1 VAL 19 2HG1 VAL 19 -11.032 -2.038 2.672 134 3HG1 VAL 19 3HG1 VAL 19 -9.615 -2.602 1.735 135 1HG2 VAL 19 1HG2 VAL 19 -8.899 -5.299 4.404 136 2HG2 VAL 19 2HG2 VAL 19 -10.059 -5.492 3.079 137 3HG2 VAL 19 3HG2 VAL 19 -8.449 -4.831 2.742 138 H HIS 20 H HIS 20 -10.587 -0.863 4.598 139 HA HIS 20 HA HIS 20 -9.687 0.938 2.596 140 1HB HIS 20 2HB HIS 20 -11.541 2.231 3.069 141 2HB HIS 20 3HB HIS 20 -12.067 0.596 3.464 142 HD1 HIS 20 1HD HIS 20 -13.112 3.547 4.689 143 HD2 HIS 20 2HD HIS 20 -10.697 0.629 6.489 144 HE1 HIS 20 1HE HIS 20 -13.207 3.970 7.205 145 H LYS 21 H LYS 21 -8.487 0.548 5.791 146 HA LYS 21 HA LYS 21 -8.078 3.288 6.484 147 1HB LYS 21 2HB LYS 21 -7.966 1.069 7.958 148 2HB LYS 21 3HB LYS 21 -6.329 0.948 7.363 149 1HG LYS 21 2HG LYS 21 -6.294 1.953 9.535 150 2HG LYS 21 3HG LYS 21 -5.743 3.096 8.314 151 1HD LYS 21 2HD LYS 21 -7.034 4.262 9.850 152 2HD LYS 21 3HD LYS 21 -7.950 4.244 8.362 153 1HE LYS 21 2HE LYS 21 -8.447 2.461 10.819 154 2HE LYS 21 3HE LYS 21 -9.295 3.969 10.468 155 1HZ LYS 21 1HZ LYS 21 -9.538 1.441 8.967 156 2HZ LYS 21 2HZ LYS 21 -10.664 2.230 9.804 157 3HZ LYS 21 3HZ LYS 21 -10.158 2.848 8.398 158 H ILE 22 H ILE 22 -6.266 0.770 4.831 159 HA ILE 22 HA ILE 22 -3.758 2.101 4.554 160 HB ILE 22 HB ILE 22 -5.153 -0.094 2.989 161 1HG1 ILE 22 2HG1 ILE 22 -2.827 -0.426 4.904 162 2HG1 ILE 22 3HG1 ILE 22 -4.466 -0.252 5.540 163 1HG2 ILE 22 1HG2 ILE 22 -3.435 0.840 1.520 164 2HG2 ILE 22 2HG2 ILE 22 -2.260 0.846 2.850 165 3HG2 ILE 22 3HG2 ILE 22 -2.841 -0.691 2.176 166 1HD1 ILE 22 1HD1 ILE 22 -3.987 -2.568 5.355 167 2HD1 ILE 22 2HD1 ILE 22 -5.299 -2.097 4.267 168 3HD1 ILE 22 3HD1 ILE 22 -3.659 -2.403 3.616 169 H GLU 23 H GLU 23 -6.434 1.654 2.179 170 HA GLU 23 HA GLU 23 -5.455 3.440 0.238 171 1HB GLU 23 2HB GLU 23 -8.277 2.608 1.010 172 2HB GLU 23 3HB GLU 23 -7.899 3.476 -0.485 173 1HG GLU 23 2HG GLU 23 -6.682 1.686 -1.407 174 2HG GLU 23 3HG GLU 23 -6.431 0.875 0.147 175 H SER 24 H SER 24 -7.847 4.152 2.802 176 HA SER 24 HA SER 24 -8.161 6.874 2.335 177 1HB SER 24 2HB SER 24 -9.460 5.496 3.960 178 2HB SER 24 3HB SER 24 -8.061 5.497 5.053 179 HG SER 24 HG SER 24 -9.529 7.756 4.130 180 H SER 25 H SER 25 -5.590 5.272 4.272 181 HA SER 25 HA SER 25 -4.231 7.700 5.030 182 1HB SER 25 2HB SER 25 -3.981 5.503 6.188 183 2HB SER 25 3HB SER 25 -3.132 4.868 4.768 184 HG SER 25 HG SER 25 -2.332 7.075 6.378 185 H LEU 26 H LEU 26 -3.393 5.313 2.407 186 HA LEU 26 HA LEU 26 -1.211 6.961 1.765 187 1HB LEU 26 2HB LEU 26 -2.401 4.968 -0.135 188 2HB LEU 26 3HB LEU 26 -0.759 5.684 -0.112 189 HG LEU 26 HG LEU 26 -1.893 3.779 1.938 190 1HD1 LEU 26 1HD1 LEU 26 -0.213 2.276 1.087 191 2HD1 LEU 26 2HD1 LEU 26 -1.267 2.806 -0.228 192 3HD1 LEU 26 3HD1 LEU 26 0.354 3.510 -0.069 193 1HD2 LEU 26 1HD2 LEU 26 -0.399 5.341 3.097 194 2HD2 LEU 26 2HD2 LEU 26 0.383 3.771 2.912 195 3HD2 LEU 26 3HD2 LEU 26 0.844 5.111 1.841 196 H THR 27 H THR 27 -4.512 6.924 0.353 197 HA THR 27 HA THR 27 -4.034 8.681 -1.757 198 HB THR 27 HB THR 27 -6.496 8.456 0.012 199 HG1 THR 27 1HG THR 27 -5.594 7.052 -2.282 200 1HG2 THR 27 1HG2 THR 27 -6.767 10.384 -1.482 201 2HG2 THR 27 2HG2 THR 27 -6.169 9.439 -2.864 202 3HG2 THR 27 3HG2 THR 27 -7.720 9.031 -2.102 203 H LYS 28 H LYS 28 -3.672 9.453 1.624 204 HA LYS 28 HA LYS 28 -4.212 12.280 1.510 205 1HB LYS 28 2HB LYS 28 -2.209 10.735 3.192 206 2HB LYS 28 3HB LYS 28 -2.780 12.367 3.524 207 1HG LYS 28 2HG LYS 28 -4.739 10.055 3.353 208 2HG LYS 28 3HG LYS 28 -3.786 10.304 4.799 209 1HD LYS 28 2HD LYS 28 -4.758 12.580 5.033 210 2HD LYS 28 3HD LYS 28 -5.604 12.386 3.478 211 1HE LYS 28 2HE LYS 28 -6.854 10.426 4.400 212 2HE LYS 28 3HE LYS 28 -6.040 10.640 5.958 213 1HZ LYS 28 1HZ LYS 28 -7.098 12.797 6.126 214 2HZ LYS 28 2HZ LYS 28 -7.844 12.585 4.672 215 3HZ LYS 28 3HZ LYS 28 -8.219 11.608 5.939 216 H HIS 29 H HIS 29 -1.354 10.240 0.662 217 HA HIS 29 HA HIS 29 0.342 12.622 0.430 218 1HB HIS 29 2HB HIS 29 1.268 10.098 -0.825 219 2HB HIS 29 3HB HIS 29 2.112 11.296 0.137 220 HD1 HIS 29 1HD HIS 29 2.118 10.798 2.849 221 HD2 HIS 29 2HD HIS 29 0.490 7.898 0.285 222 HE1 HIS 29 1HE HIS 29 2.104 8.558 4.115 223 H ARG 30 H ARG 30 0.759 13.734 -1.481 224 HA ARG 30 HA ARG 30 -0.942 13.137 -3.778 225 1HB ARG 30 2HB ARG 30 1.293 15.178 -3.467 226 2HB ARG 30 3HB ARG 30 0.067 15.149 -4.741 227 1HG ARG 30 2HG ARG 30 -1.724 15.448 -3.036 228 2HG ARG 30 3HG ARG 30 -0.502 15.594 -1.766 229 1HD ARG 30 2HD ARG 30 -0.792 17.394 -4.203 230 2HD ARG 30 3HD ARG 30 -1.279 17.801 -2.541 231 HE ARG 30 HE ARG 30 1.411 17.091 -2.371 232 1HH1 ARG 30 2HH2 ARG 30 -0.474 19.582 -3.988 233 2HH1 ARG 30 1HH2 ARG 30 0.811 20.746 -4.075 234 1HH2 ARG 30 2HH1 ARG 30 3.165 18.599 -2.468 235 2HH2 ARG 30 1HH1 ARG 30 2.934 20.166 -3.166 236 H GLY 31 H GLY 31 1.944 11.722 -2.847 237 1HA GLY 31 2HA GLY 31 3.208 11.635 -5.496 238 2HA GLY 31 1HA GLY 31 3.755 10.867 -3.997 239 H ILE 32 H ILE 32 0.801 9.827 -3.793 240 HA ILE 32 HA ILE 32 1.269 7.400 -5.426 241 HB ILE 32 HB ILE 32 1.069 6.846 -3.158 242 1HG1 ILE 32 2HG1 ILE 32 -1.637 6.286 -4.463 243 2HG1 ILE 32 3HG1 ILE 32 -0.111 5.497 -4.906 244 1HG2 ILE 32 1HG2 ILE 32 -1.517 8.419 -2.999 245 2HG2 ILE 32 2HG2 ILE 32 -0.825 7.324 -1.776 246 3HG2 ILE 32 3HG2 ILE 32 0.038 8.782 -2.198 247 1HD1 ILE 32 1HD1 ILE 32 -1.194 4.049 -3.433 248 2HD1 ILE 32 2HD1 ILE 32 0.126 4.772 -2.492 249 3HD1 ILE 32 3HD1 ILE 32 -1.564 5.316 -2.270 250 H LEU 33 H LEU 33 -0.133 6.810 -6.957 251 HA LEU 33 HA LEU 33 -2.128 8.838 -7.874 252 1HB LEU 33 2HB LEU 33 -0.649 6.662 -9.394 253 2HB LEU 33 3HB LEU 33 -1.669 7.928 -10.087 254 HG LEU 33 HG LEU 33 0.969 8.413 -8.599 255 1HD1 LEU 33 1HD1 LEU 33 0.341 8.466 -11.570 256 2HD1 LEU 33 2HD1 LEU 33 1.896 8.856 -10.801 257 3HD1 LEU 33 3HD1 LEU 33 1.259 7.207 -10.710 258 1HD2 LEU 33 1HD2 LEU 33 -0.506 10.374 -8.426 259 2HD2 LEU 33 2HD2 LEU 33 0.800 10.688 -9.575 260 3HD2 LEU 33 3HD2 LEU 33 -0.829 10.310 -10.175 261 H TYR 34 H TYR 34 -1.592 5.327 -7.247 262 HA TYR 34 HA TYR 34 -4.519 5.007 -7.184 263 1HB TYR 34 2HB TYR 34 -3.362 4.342 -9.475 264 2HB TYR 34 3HB TYR 34 -2.730 2.975 -8.548 265 HD1 TYR 34 HD1 TYR 34 -5.943 4.822 -9.144 266 HD2 TYR 34 HD2 TYR 34 -4.040 0.994 -8.561 267 HE1 TYR 34 HE1 TYR 34 -8.111 3.722 -9.366 268 HE2 TYR 34 HE2 TYR 34 -6.206 -0.128 -8.915 269 HH TYR 34 HH TYR 34 -9.249 1.682 -9.437 270 H CYS 35 H CYS 35 -5.174 3.282 -5.830 271 HA CYS 35 HA CYS 35 -3.226 1.733 -4.235 272 1HB CYS 35 2HB CYS 35 -3.405 4.057 -3.163 273 2HB CYS 35 3HB CYS 35 -5.103 3.683 -2.838 274 HG CYS 35 HG CYS 35 -4.806 2.133 -1.079 275 H SER 36 H SER 36 -4.150 -0.223 -4.383 276 HA SER 36 HA SER 36 -7.024 -0.420 -3.681 277 1HB SER 36 2HB SER 36 -5.849 -1.652 -6.190 278 2HB SER 36 3HB SER 36 -7.488 -1.908 -5.551 279 HG SER 36 HG SER 36 -7.198 0.679 -5.595 280 H VAL 37 H VAL 37 -6.985 -1.662 -1.900 281 HA VAL 37 HA VAL 37 -4.956 -3.826 -1.788 282 HB VAL 37 HB VAL 37 -4.804 -1.905 -0.146 283 1HG1 VAL 37 1HG1 VAL 37 -7.199 -1.741 0.543 284 2HG1 VAL 37 2HG1 VAL 37 -7.053 -3.330 1.329 285 3HG1 VAL 37 3HG1 VAL 37 -6.069 -1.978 1.886 286 1HG2 VAL 37 1HG2 VAL 37 -4.014 -3.361 1.572 287 2HG2 VAL 37 2HG2 VAL 37 -5.012 -4.711 0.961 288 3HG2 VAL 37 3HG2 VAL 37 -3.665 -4.082 0.001 289 H ALA 38 H ALA 38 -5.543 -5.749 -2.244 290 HA ALA 38 HA ALA 38 -8.437 -6.461 -1.962 291 1HB ALA 38 1HB ALA 38 -7.955 -7.973 -3.863 292 2HB ALA 38 2HB ALA 38 -7.730 -6.254 -4.248 293 3HB ALA 38 3HB ALA 38 -6.314 -7.280 -3.961 294 H LEU 39 H LEU 39 -8.470 -7.424 0.016 295 HA LEU 39 HA LEU 39 -6.845 -9.308 1.238 296 1HB LEU 39 2HB LEU 39 -9.865 -9.142 0.912 297 2HB LEU 39 3HB LEU 39 -9.125 -10.412 1.883 298 HG LEU 39 HG LEU 39 -8.566 -7.483 2.437 299 1HD1 LEU 39 1HD1 LEU 39 -10.753 -9.273 3.599 300 2HD1 LEU 39 2HD1 LEU 39 -10.314 -7.666 4.209 301 3HD1 LEU 39 3HD1 LEU 39 -11.003 -7.838 2.583 302 1HD2 LEU 39 1HD2 LEU 39 -8.428 -9.995 4.184 303 2HD2 LEU 39 2HD2 LEU 39 -7.019 -9.199 3.466 304 3HD2 LEU 39 3HD2 LEU 39 -7.991 -8.350 4.678 305 H ALA 40 H ALA 40 -8.891 -9.746 -1.618 306 HA ALA 40 HA ALA 40 -9.075 -12.552 -1.721 307 1HB ALA 40 1HB ALA 40 -8.817 -10.571 -4.024 308 2HB ALA 40 2HB ALA 40 -9.446 -12.225 -4.134 309 3HB ALA 40 3HB ALA 40 -10.335 -11.005 -3.195 310 H THR 41 H THR 41 -6.364 -10.430 -2.437 311 HA THR 41 HA THR 41 -4.689 -12.769 -3.184 312 HB THR 41 HB THR 41 -5.221 -11.681 -5.231 313 HG1 THR 41 1HG THR 41 -2.689 -11.115 -4.210 314 1HG2 THR 41 1HG2 THR 41 -4.580 -9.008 -3.969 315 2HG2 THR 41 2HG2 THR 41 -4.949 -9.317 -5.689 316 3HG2 THR 41 3HG2 THR 41 -6.177 -9.603 -4.480 317 H ASN 42 H ASN 42 -5.302 -11.082 -0.676 318 HA ASN 42 HA ASN 42 -4.295 -9.672 0.819 319 1HB ASN 42 2HB ASN 42 -2.960 -12.318 0.612 320 2HB ASN 42 3HB ASN 42 -2.042 -11.149 1.544 321 1HD2 ASN 42 1HD2 ASN 42 -2.899 -10.193 3.447 322 2HD2 ASN 42 2HD2 ASN 42 -4.286 -10.925 4.253 323 H LYS 43 H LYS 43 -3.847 -8.330 -1.448 324 HA LYS 43 HA LYS 43 -1.027 -7.401 -1.191 325 1HB LYS 43 2HB LYS 43 -0.647 -8.769 -2.931 326 2HB LYS 43 3HB LYS 43 -2.298 -8.748 -3.512 327 1HG LYS 43 2HG LYS 43 -0.594 -6.268 -3.864 328 2HG LYS 43 3HG LYS 43 -0.348 -7.651 -4.900 329 1HD LYS 43 2HD LYS 43 -3.178 -6.601 -4.487 330 2HD LYS 43 3HD LYS 43 -2.076 -5.793 -5.614 331 1HE LYS 43 2HE LYS 43 -2.755 -8.750 -5.693 332 2HE LYS 43 3HE LYS 43 -3.627 -7.521 -6.623 333 1HZ LYS 43 1HZ LYS 43 -1.906 -8.633 -7.932 334 2HZ LYS 43 2HZ LYS 43 -1.580 -7.017 -7.795 335 3HZ LYS 43 3HZ LYS 43 -0.718 -8.034 -6.957 336 H ALA 44 H ALA 44 -0.613 -5.299 -1.767 337 HA ALA 44 HA ALA 44 -2.971 -3.490 -2.188 338 1HB ALA 44 1HB ALA 44 -1.964 -1.795 -0.959 339 2HB ALA 44 2HB ALA 44 -1.661 -3.194 0.087 340 3HB ALA 44 3HB ALA 44 -0.379 -2.553 -0.944 341 H HIS 45 H HIS 45 -3.028 -3.166 -4.273 342 HA HIS 45 HA HIS 45 -0.511 -2.805 -5.837 343 1HB HIS 45 2HB HIS 45 -2.548 -3.992 -6.777 344 2HB HIS 45 3HB HIS 45 -3.399 -2.449 -6.681 345 HD1 HIS 45 1HD HIS 45 -1.138 -4.391 -8.921 346 HD2 HIS 45 2HD HIS 45 -1.956 -0.390 -8.003 347 HE1 HIS 45 1HE HIS 45 -0.433 -3.031 -10.977 348 H ILE 46 H ILE 46 0.469 -1.071 -4.920 349 HA ILE 46 HA ILE 46 -0.996 1.519 -4.953 350 HB ILE 46 HB ILE 46 1.717 0.632 -3.931 351 1HG1 ILE 46 2HG1 ILE 46 1.011 1.732 -1.877 352 2HG1 ILE 46 3HG1 ILE 46 -0.523 2.209 -2.602 353 1HG2 ILE 46 1HG2 ILE 46 0.825 3.444 -4.571 354 2HG2 ILE 46 2HG2 ILE 46 2.130 3.061 -3.436 355 3HG2 ILE 46 3HG2 ILE 46 2.281 2.603 -5.132 356 1HD1 ILE 46 1HD1 ILE 46 -0.604 0.237 -1.061 357 2HD1 ILE 46 2HD1 ILE 46 -1.305 -0.041 -2.661 358 3HD1 ILE 46 3HD1 ILE 46 0.321 -0.672 -2.277 359 H LYS 47 H LYS 47 -0.594 2.940 -6.649 360 HA LYS 47 HA LYS 47 1.755 2.384 -8.345 361 1HB LYS 47 2HB LYS 47 -0.791 3.659 -9.388 362 2HB LYS 47 3HB LYS 47 0.772 3.509 -10.211 363 1HG LYS 47 2HG LYS 47 0.346 0.910 -9.696 364 2HG LYS 47 3HG LYS 47 -1.338 1.431 -9.747 365 1HD LYS 47 2HD LYS 47 0.791 1.834 -11.903 366 2HD LYS 47 3HD LYS 47 -0.572 0.700 -11.974 367 1HE LYS 47 2HE LYS 47 -2.179 2.537 -12.087 368 2HE LYS 47 3HE LYS 47 -0.911 3.743 -11.813 369 1HZ LYS 47 1HZ LYS 47 -1.434 3.620 -14.110 370 2HZ LYS 47 2HZ LYS 47 0.105 3.153 -13.871 371 3HZ LYS 47 3HZ LYS 47 -1.042 2.020 -14.188 372 H TYR 48 H TYR 48 3.131 4.159 -8.344 373 HA TYR 48 HA TYR 48 2.191 6.763 -7.341 374 1HB TYR 48 2HB TYR 48 3.589 6.759 -5.408 375 2HB TYR 48 3HB TYR 48 2.739 5.224 -5.338 376 HD1 TYR 48 HD1 TYR 48 4.142 3.205 -6.670 377 HD2 TYR 48 HD2 TYR 48 5.864 6.822 -5.087 378 HE1 TYR 48 HE1 TYR 48 6.427 2.285 -6.918 379 HE2 TYR 48 HE2 TYR 48 8.011 5.642 -4.747 380 HH TYR 48 HH TYR 48 9.264 3.829 -5.424 381 H ASP 49 H ASP 49 4.078 8.324 -7.298 382 HA ASP 49 HA ASP 49 5.808 7.847 -9.679 383 1HB ASP 49 2HB ASP 49 4.925 10.304 -8.181 384 2HB ASP 49 3HB ASP 49 6.390 10.331 -9.176 385 HA PRO 50 HA PRO 50 8.872 6.925 -6.416 386 1HB PRO 50 2HB PRO 50 10.727 5.589 -7.880 387 2HB PRO 50 3HB PRO 50 9.104 4.911 -7.620 388 1HG PRO 50 2HG PRO 50 9.992 6.530 -10.016 389 2HG PRO 50 3HG PRO 50 9.274 4.889 -10.016 390 1HD PRO 50 2HD PRO 50 7.732 7.071 -10.357 391 2HD PRO 50 3HD PRO 50 7.162 5.720 -9.319 392 H GLU 51 H GLU 51 8.754 9.510 -6.974 393 HA GLU 51 HA GLU 51 11.590 10.386 -7.135 394 1HB GLU 51 2HB GLU 51 9.279 11.497 -8.811 395 2HB GLU 51 3HB GLU 51 10.763 12.400 -8.486 396 1HG GLU 51 2HG GLU 51 10.708 9.678 -9.868 397 2HG GLU 51 3HG GLU 51 10.677 11.229 -10.708 398 H ILE 52 H ILE 52 8.296 11.714 -6.958 399 HA ILE 52 HA ILE 52 8.893 13.624 -4.948 400 HB ILE 52 HB ILE 52 7.141 13.874 -6.546 401 1HG1 ILE 52 2HG1 ILE 52 7.032 14.902 -4.161 402 2HG1 ILE 52 3HG1 ILE 52 5.696 15.082 -5.296 403 1HG2 ILE 52 1HG2 ILE 52 4.998 12.711 -6.462 404 2HG2 ILE 52 2HG2 ILE 52 6.327 11.631 -6.866 405 3HG2 ILE 52 3HG2 ILE 52 5.647 11.591 -5.236 406 1HD1 ILE 52 1HD1 ILE 52 4.962 14.582 -2.977 407 2HD1 ILE 52 2HD1 ILE 52 4.359 13.435 -4.177 408 3HD1 ILE 52 3HD1 ILE 52 5.689 12.974 -3.096 409 H ILE 53 H ILE 53 7.790 10.259 -4.741 410 HA ILE 53 HA ILE 53 8.210 10.347 -1.815 411 HB ILE 53 HB ILE 53 5.666 9.929 -3.178 412 1HG1 ILE 53 2HG1 ILE 53 6.509 9.829 -0.254 413 2HG1 ILE 53 3HG1 ILE 53 6.001 11.267 -1.174 414 1HG2 ILE 53 1HG2 ILE 53 4.862 7.905 -2.345 415 2HG2 ILE 53 2HG2 ILE 53 6.376 7.485 -3.119 416 3HG2 ILE 53 3HG2 ILE 53 6.310 7.624 -1.352 417 1HD1 ILE 53 1HD1 ILE 53 4.253 8.897 -0.403 418 2HD1 ILE 53 2HD1 ILE 53 4.214 10.540 0.237 419 3HD1 ILE 53 3HD1 ILE 53 3.749 10.245 -1.459 420 H GLY 54 H GLY 54 9.231 8.525 -1.041 421 1HA GLY 54 2HA GLY 54 10.510 6.781 -3.057 422 2HA GLY 54 1HA GLY 54 10.847 6.850 -1.321 423 HA PRO 55 HA PRO 55 7.658 3.422 -2.352 424 1HB PRO 55 2HB PRO 55 9.372 1.213 -2.134 425 2HB PRO 55 3HB PRO 55 8.803 1.940 -3.649 426 1HG PRO 55 2HG PRO 55 11.455 2.272 -2.304 427 2HG PRO 55 3HG PRO 55 11.068 2.295 -4.051 428 1HD PRO 55 2HD PRO 55 11.562 4.557 -2.503 429 2HD PRO 55 3HD PRO 55 10.602 4.568 -4.003 430 H ARG 56 H ARG 56 10.605 3.322 -0.312 431 HA ARG 56 HA ARG 56 9.616 1.903 1.874 432 1HB ARG 56 2HB ARG 56 11.718 4.070 1.602 433 2HB ARG 56 3HB ARG 56 11.176 3.559 3.192 434 1HG ARG 56 2HG ARG 56 11.629 1.125 2.461 435 2HG ARG 56 3HG ARG 56 12.483 1.825 1.078 436 1HD ARG 56 2HD ARG 56 14.046 1.288 2.854 437 2HD ARG 56 3HD ARG 56 13.964 3.058 2.682 438 HE ARG 56 HE ARG 56 12.062 2.374 4.652 439 1HH1 ARG 56 2HH2 ARG 56 15.561 2.087 4.305 440 2HH1 ARG 56 1HH2 ARG 56 15.884 2.217 6.008 441 1HH2 ARG 56 2HH1 ARG 56 12.419 2.639 6.790 442 2HH2 ARG 56 1HH1 ARG 56 14.011 2.497 7.517 443 H ASP 57 H ASP 57 9.244 5.442 1.276 444 HA ASP 57 HA ASP 57 8.067 6.240 3.574 445 1HB ASP 57 2HB ASP 57 6.958 7.095 0.880 446 2HB ASP 57 3HB ASP 57 7.166 8.058 2.337 447 H ILE 58 H ILE 58 6.430 4.809 0.761 448 HA ILE 58 HA ILE 58 3.785 4.686 1.921 449 HB ILE 58 HB ILE 58 5.170 3.546 -0.484 450 1HG1 ILE 58 2HG1 ILE 58 2.446 4.701 -0.634 451 2HG1 ILE 58 3HG1 ILE 58 3.709 5.823 -0.083 452 1HG2 ILE 58 1HG2 ILE 58 2.483 2.577 0.547 453 2HG2 ILE 58 2HG2 ILE 58 3.079 2.337 -1.112 454 3HG2 ILE 58 3HG2 ILE 58 3.921 1.575 0.234 455 1HD1 ILE 58 1HD1 ILE 58 3.461 5.847 -2.552 456 2HD1 ILE 58 2HD1 ILE 58 5.085 5.356 -2.021 457 3HD1 ILE 58 3HD1 ILE 58 3.943 4.135 -2.603 458 H ILE 59 H ILE 59 6.429 2.230 1.604 459 HA ILE 59 HA ILE 59 5.029 0.145 2.884 460 HB ILE 59 HB ILE 59 8.009 0.702 3.104 461 1HG1 ILE 59 2HG1 ILE 59 7.468 0.507 0.760 462 2HG1 ILE 59 3HG1 ILE 59 8.267 -0.958 1.292 463 1HG2 ILE 59 1HG2 ILE 59 6.420 -1.829 3.645 464 2HG2 ILE 59 2HG2 ILE 59 8.186 -1.756 3.497 465 3HG2 ILE 59 3HG2 ILE 59 7.377 -0.890 4.803 466 1HD1 ILE 59 1HD1 ILE 59 6.025 -2.096 1.396 467 2HD1 ILE 59 2HD1 ILE 59 5.285 -0.599 0.767 468 3HD1 ILE 59 3HD1 ILE 59 6.449 -1.492 -0.215 469 H HIS 60 H HIS 60 7.138 2.563 4.464 470 HA HIS 60 HA HIS 60 6.835 1.919 7.148 471 1HB HIS 60 2HB HIS 60 6.843 4.722 5.957 472 2HB HIS 60 3HB HIS 60 7.180 4.287 7.630 473 HD1 HIS 60 1HD HIS 60 9.180 5.754 5.473 474 HD2 HIS 60 2HD HIS 60 9.235 1.841 7.006 475 HE1 HIS 60 1HE HIS 60 11.600 4.965 5.332 476 H THR 61 H THR 61 4.761 4.079 5.126 477 HA THR 61 HA THR 61 2.957 4.691 7.216 478 HB THR 61 HB THR 61 2.305 4.553 4.242 479 HG1 THR 61 1HG THR 61 4.135 5.836 4.581 480 1HG2 THR 61 1HG2 THR 61 1.163 6.169 6.572 481 2HG2 THR 61 2HG2 THR 61 0.736 6.397 4.868 482 3HG2 THR 61 3HG2 THR 61 0.324 4.879 5.687 483 H ILE 62 H ILE 62 2.794 2.062 4.743 484 HA ILE 62 HA ILE 62 0.290 1.047 5.664 485 HB ILE 62 HB ILE 62 2.515 -0.431 4.213 486 1HG1 ILE 62 2HG1 ILE 62 0.004 0.994 3.215 487 2HG1 ILE 62 3HG1 ILE 62 1.649 1.585 3.016 488 1HG2 ILE 62 1HG2 ILE 62 0.845 -1.965 5.309 489 2HG2 ILE 62 2HG2 ILE 62 -0.460 -1.094 4.486 490 3HG2 ILE 62 3HG2 ILE 62 0.736 -2.021 3.561 491 1HD1 ILE 62 1HD1 ILE 62 2.157 -0.631 1.813 492 2HD1 ILE 62 2HD1 ILE 62 0.379 -0.792 1.678 493 3HD1 ILE 62 3HD1 ILE 62 1.208 0.580 0.945 494 H GLU 63 H GLU 63 3.674 -0.056 6.510 495 HA GLU 63 HA GLU 63 2.624 -2.056 8.227 496 1HB GLU 63 2HB GLU 63 4.856 -2.308 9.178 497 2HB GLU 63 3HB GLU 63 4.834 -2.296 7.419 498 1HG GLU 63 2HG GLU 63 6.735 -1.078 7.937 499 2HG GLU 63 3HG GLU 63 5.545 0.164 7.560 500 H SER 64 H SER 64 3.742 1.239 8.904 501 HA SER 64 HA SER 64 3.246 1.129 11.675 502 1HB SER 64 2HB SER 64 4.812 2.684 10.640 503 2HB SER 64 3HB SER 64 3.484 3.553 9.860 504 HG SER 64 HG SER 64 2.687 3.629 12.225 505 H LEU 65 H LEU 65 0.834 1.387 9.141 506 HA LEU 65 HA LEU 65 -1.238 2.373 10.957 507 1HB LEU 65 2HB LEU 65 -1.167 0.917 8.340 508 2HB LEU 65 3HB LEU 65 -2.563 0.640 9.381 509 HG LEU 65 HG LEU 65 -3.159 2.929 9.442 510 1HD1 LEU 65 1HD1 LEU 65 -0.856 3.611 7.581 511 2HD1 LEU 65 2HD1 LEU 65 -2.051 4.713 8.265 512 3HD1 LEU 65 3HD1 LEU 65 -0.835 3.982 9.320 513 1HD2 LEU 65 1HD2 LEU 65 -3.907 1.572 7.525 514 2HD2 LEU 65 2HD2 LEU 65 -3.633 3.247 7.005 515 3HD2 LEU 65 3HD2 LEU 65 -2.427 1.996 6.635 516 H GLY 66 H GLY 66 -0.834 -1.068 9.877 517 1HA GLY 66 2HA GLY 66 -0.220 -1.875 12.584 518 2HA GLY 66 1HA GLY 66 -1.892 -2.280 12.166 519 H PHE 67 H PHE 67 0.795 -2.361 9.795 520 HA PHE 67 HA PHE 67 0.152 -5.296 9.489 521 1HB PHE 67 2HB PHE 67 0.536 -3.261 7.292 522 2HB PHE 67 3HB PHE 67 -0.080 -4.907 7.128 523 HD1 PHE 67 1HD PHE 67 -1.196 -1.682 6.843 524 HD2 PHE 67 2HD PHE 67 -2.069 -5.141 9.263 525 HE1 PHE 67 1HE PHE 67 -3.373 -0.726 7.459 526 HE2 PHE 67 2HE PHE 67 -4.260 -4.192 9.838 527 HZ PHE 67 HZ PHE 67 -4.977 -2.039 8.830 528 H GLU 68 H GLU 68 1.560 -6.442 7.904 529 HA GLU 68 HA GLU 68 4.435 -5.708 8.348 530 1HB GLU 68 2HB GLU 68 3.054 -7.897 9.328 531 2HB GLU 68 3HB GLU 68 3.794 -8.567 7.885 532 1HG GLU 68 2HG GLU 68 5.239 -7.057 10.068 533 2HG GLU 68 3HG GLU 68 5.137 -8.814 9.977 534 H ALA 69 H ALA 69 4.117 -4.378 6.421 535 HA ALA 69 HA ALA 69 3.113 -5.600 4.013 536 1HB ALA 69 1HB ALA 69 2.664 -3.268 4.590 537 2HB ALA 69 2HB ALA 69 4.393 -2.877 4.518 538 3HB ALA 69 3HB ALA 69 3.525 -3.345 3.041 539 H SER 70 H SER 70 4.228 -6.189 2.111 540 HA SER 70 HA SER 70 7.219 -5.955 2.061 541 1HB SER 70 2HB SER 70 5.536 -8.459 2.279 542 2HB SER 70 3HB SER 70 7.197 -8.497 1.699 543 HG SER 70 HG SER 70 6.965 -6.984 3.963 544 H LEU 71 H LEU 71 7.665 -5.086 0.162 545 HA LEU 71 HA LEU 71 6.062 -4.958 -2.168 546 1HB LEU 71 2HB LEU 71 8.069 -4.030 -3.204 547 2HB LEU 71 3HB LEU 71 7.567 -3.260 -1.711 548 HG LEU 71 HG LEU 71 9.546 -5.383 -1.181 549 1HD1 LEU 71 1HD1 LEU 71 10.406 -4.828 -3.389 550 2HD1 LEU 71 2HD1 LEU 71 10.368 -3.089 -3.007 551 3HD1 LEU 71 3HD1 LEU 71 11.479 -4.177 -2.145 552 1HD2 LEU 71 1HD2 LEU 71 8.890 -3.549 0.422 553 2HD2 LEU 71 2HD2 LEU 71 10.626 -3.573 0.079 554 3HD2 LEU 71 3HD2 LEU 71 9.586 -2.365 -0.698 555 H VAL 72 H VAL 72 5.491 -7.299 -2.282 556 HA VAL 72 HA VAL 72 7.119 -9.073 -3.753 557 HB VAL 72 HB VAL 72 5.036 -10.091 -4.546 558 1HG1 VAL 72 1HG1 VAL 72 5.040 -9.454 -1.586 559 2HG1 VAL 72 2HG1 VAL 72 4.292 -10.859 -2.379 560 3HG1 VAL 72 3HG1 VAL 72 6.050 -10.675 -2.386 561 1HG2 VAL 72 1HG2 VAL 72 2.856 -9.330 -3.658 562 2HG2 VAL 72 2HG2 VAL 72 3.605 -7.822 -3.111 563 3HG2 VAL 72 3HG2 VAL 72 3.528 -8.211 -4.841 564 H LYS 73 H LYS 73 5.058 -6.389 -5.042 565 HA LYS 73 HA LYS 73 4.993 -5.456 -7.136 566 1HB LYS 73 2HB LYS 73 7.768 -6.523 -7.645 567 2HB LYS 73 3HB LYS 73 7.044 -5.061 -8.268 568 1HG LYS 73 2HG LYS 73 7.290 -3.892 -6.242 569 2HG LYS 73 3HG LYS 73 7.533 -5.333 -5.280 570 1HD LYS 73 2HD LYS 73 9.478 -4.135 -7.275 571 2HD LYS 73 3HD LYS 73 9.637 -4.208 -5.526 572 1HE LYS 73 2HE LYS 73 10.051 -6.391 -7.582 573 2HE LYS 73 3HE LYS 73 11.098 -5.889 -6.257 574 1HZ LYS 73 1HZ LYS 73 10.100 -8.032 -5.834 575 2HZ LYS 73 2HZ LYS 73 9.394 -6.973 -4.742 576 3HZ LYS 73 3HZ LYS 73 8.646 -7.514 -6.097 577 H ILE 74 H ILE 74 3.653 -7.848 -7.147 578 HA ILE 74 HA ILE 74 3.032 -9.677 -8.265 579 HB ILE 74 HB ILE 74 4.395 -8.613 -10.774 580 1HG1 ILE 74 2HG1 ILE 74 1.921 -7.940 -11.288 581 2HG1 ILE 74 3HG1 ILE 74 1.708 -7.899 -9.542 582 1HG2 ILE 74 1HG2 ILE 74 2.710 -9.973 -11.908 583 2HG2 ILE 74 2HG2 ILE 74 3.619 -11.003 -10.809 584 3HG2 ILE 74 3HG2 ILE 74 1.999 -10.449 -10.352 585 1HD1 ILE 74 1HD1 ILE 74 2.189 -5.690 -10.649 586 2HD1 ILE 74 2HD1 ILE 74 3.386 -6.070 -9.416 587 3HD1 ILE 74 3HD1 ILE 74 3.784 -6.299 -11.130 588 H GLU 75 H GLU 75 4.529 -10.608 -6.687 589 HA GLU 75 HA GLU 75 6.134 -12.591 -7.977 590 1HB GLU 75 2HB GLU 75 7.142 -11.004 -5.558 591 2HB GLU 75 3HB GLU 75 7.725 -12.599 -6.025 592 1HG GLU 75 2HG GLU 75 8.573 -11.733 -8.154 593 2HG GLU 75 3HG GLU 75 7.972 -10.116 -7.777 Start of MODEL 24 1 1H MET 1 H1 MET 1 6.478 7.150 -13.318 2 2H MET 1 H2 MET 1 8.006 6.551 -13.296 3 3H MET 1 H3 MET 1 7.750 8.137 -12.896 4 HA MET 1 HA MET 1 7.313 8.805 -15.025 5 1HB MET 1 2HB MET 1 9.429 6.609 -15.195 6 2HB MET 1 3HB MET 1 9.042 7.734 -16.502 7 1HG MET 1 2HG MET 1 9.640 9.651 -15.054 8 2HG MET 1 3HG MET 1 10.036 8.537 -13.744 9 1HE MET 1 1HE MET 1 10.997 7.985 -17.618 10 2HE MET 1 2HE MET 1 11.017 9.750 -17.353 11 3HE MET 1 3HE MET 1 12.535 8.865 -17.624 12 H GLY 2 H GLY 2 5.245 8.347 -15.654 13 1HA GLY 2 2HA GLY 2 3.388 7.050 -16.138 14 2HA GLY 2 1HA GLY 2 4.423 5.689 -16.626 15 H ASP 3 H ASP 3 2.431 4.945 -14.988 16 HA ASP 3 HA ASP 3 2.578 5.202 -12.289 17 1HB ASP 3 2HB ASP 3 1.994 2.614 -13.793 18 2HB ASP 3 3HB ASP 3 1.399 3.087 -12.200 19 H GLY 4 H GLY 4 4.328 4.882 -10.871 20 1HA GLY 4 2HA GLY 4 6.247 2.672 -11.283 21 2HA GLY 4 1HA GLY 4 6.025 3.684 -9.845 22 H VAL 5 H VAL 5 5.236 0.635 -11.209 23 HA VAL 5 HA VAL 5 2.821 0.235 -9.583 24 HB VAL 5 HB VAL 5 3.006 -0.795 -11.774 25 1HG1 VAL 5 1HG1 VAL 5 5.227 -2.548 -10.630 26 2HG1 VAL 5 2HG1 VAL 5 4.446 -2.720 -12.209 27 3HG1 VAL 5 3HG1 VAL 5 5.441 -1.298 -11.874 28 1HG2 VAL 5 1HG2 VAL 5 1.624 -1.784 -9.960 29 2HG2 VAL 5 2HG2 VAL 5 2.169 -2.978 -11.152 30 3HG2 VAL 5 3HG2 VAL 5 2.954 -2.892 -9.564 31 H LEU 6 H LEU 6 2.686 -0.724 -7.629 32 HA LEU 6 HA LEU 6 4.998 -2.115 -6.439 33 1HB LEU 6 2HB LEU 6 5.412 0.140 -5.799 34 2HB LEU 6 3HB LEU 6 3.719 0.448 -5.396 35 HG LEU 6 HG LEU 6 3.975 -1.042 -3.406 36 1HD1 LEU 6 1HD1 LEU 6 5.696 -2.595 -4.207 37 2HD1 LEU 6 2HD1 LEU 6 6.863 -1.261 -4.374 38 3HD1 LEU 6 3HD1 LEU 6 6.280 -1.740 -2.769 39 1HD2 LEU 6 1HD2 LEU 6 5.473 0.467 -2.147 40 2HD2 LEU 6 2HD2 LEU 6 6.090 1.127 -3.677 41 3HD2 LEU 6 3HD2 LEU 6 4.395 1.373 -3.223 42 H GLU 7 H GLU 7 3.682 -3.816 -6.983 43 HA GLU 7 HA GLU 7 1.253 -4.304 -5.397 44 1HB GLU 7 2HB GLU 7 1.682 -5.200 -7.729 45 2HB GLU 7 3HB GLU 7 3.014 -6.144 -7.008 46 1HG GLU 7 2HG GLU 7 1.254 -7.606 -7.119 47 2HG GLU 7 3HG GLU 7 1.230 -7.098 -5.419 48 H LEU 8 H LEU 8 1.747 -4.251 -3.225 49 HA LEU 8 HA LEU 8 3.978 -6.035 -2.326 50 1HB LEU 8 2HB LEU 8 4.371 -4.660 -0.431 51 2HB LEU 8 3HB LEU 8 4.466 -3.705 -1.911 52 HG LEU 8 HG LEU 8 2.126 -2.848 -1.359 53 1HD1 LEU 8 1HD1 LEU 8 1.725 -2.766 1.155 54 2HD1 LEU 8 2HD1 LEU 8 1.425 -4.345 0.455 55 3HD1 LEU 8 3HD1 LEU 8 2.924 -4.058 1.339 56 1HD2 LEU 8 1HD2 LEU 8 4.506 -2.246 0.451 57 2HD2 LEU 8 2HD2 LEU 8 4.229 -1.541 -1.150 58 3HD2 LEU 8 3HD2 LEU 8 3.132 -1.157 0.178 59 H VAL 9 H VAL 9 3.572 -7.566 -0.787 60 HA VAL 9 HA VAL 9 0.742 -8.240 -0.271 61 HB VAL 9 HB VAL 9 3.403 -9.459 0.516 62 1HG1 VAL 9 1HG1 VAL 9 0.612 -10.380 1.335 63 2HG1 VAL 9 2HG1 VAL 9 2.096 -11.339 1.490 64 3HG1 VAL 9 3HG1 VAL 9 1.915 -9.855 2.428 65 1HG2 VAL 9 1HG2 VAL 9 2.625 -11.301 -0.904 66 2HG2 VAL 9 2HG2 VAL 9 1.061 -10.496 -1.149 67 3HG2 VAL 9 3HG2 VAL 9 2.537 -9.782 -1.815 68 H VAL 10 H VAL 10 -0.312 -7.954 1.659 69 HA VAL 10 HA VAL 10 1.082 -6.382 3.786 70 HB VAL 10 HB VAL 10 -1.844 -6.227 3.019 71 1HG1 VAL 10 1HG1 VAL 10 -1.725 -4.280 4.701 72 2HG1 VAL 10 2HG1 VAL 10 -1.479 -5.875 5.424 73 3HG1 VAL 10 3HG1 VAL 10 -0.087 -4.820 5.087 74 1HG2 VAL 10 1HG2 VAL 10 -1.348 -3.896 2.410 75 2HG2 VAL 10 2HG2 VAL 10 0.388 -4.237 2.643 76 3HG2 VAL 10 3HG2 VAL 10 -0.540 -5.072 1.355 77 H ARG 11 H ARG 11 1.530 -7.880 5.268 78 HA ARG 11 HA ARG 11 -0.316 -10.100 5.834 79 1HB ARG 11 2HB ARG 11 2.145 -9.021 7.205 80 2HB ARG 11 3HB ARG 11 1.307 -10.510 7.662 81 1HG ARG 11 2HG ARG 11 1.871 -11.545 5.513 82 2HG ARG 11 3HG ARG 11 2.533 -10.019 4.912 83 1HD ARG 11 2HD ARG 11 4.512 -10.585 5.639 84 2HD ARG 11 3HD ARG 11 3.976 -10.393 7.291 85 HE ARG 11 HE ARG 11 4.379 -12.874 5.779 86 1HH1 ARG 11 2HH2 ARG 11 3.141 -11.447 8.860 87 2HH1 ARG 11 1HH2 ARG 11 3.121 -12.963 9.664 88 1HH2 ARG 11 2HH1 ARG 11 4.416 -14.840 6.929 89 2HH2 ARG 11 1HH1 ARG 11 3.893 -14.914 8.581 90 H GLY 12 H GLY 12 -1.896 -9.905 7.281 91 1HA GLY 12 2HA GLY 12 -2.331 -9.634 9.651 92 2HA GLY 12 1HA GLY 12 -1.559 -8.046 9.615 93 H MET 13 H MET 13 -2.800 -7.028 7.249 94 HA MET 13 HA MET 13 -5.122 -5.939 8.371 95 1HB MET 13 2HB MET 13 -5.515 -4.850 6.305 96 2HB MET 13 3HB MET 13 -3.764 -4.908 6.562 97 1HG MET 13 2HG MET 13 -3.683 -6.902 5.059 98 2HG MET 13 3HG MET 13 -5.437 -6.749 4.807 99 1HE MET 13 1HE MET 13 -5.561 -6.556 2.401 100 2HE MET 13 2HE MET 13 -4.181 -5.918 1.443 101 3HE MET 13 3HE MET 13 -3.910 -7.176 2.687 102 H THR 14 H THR 14 -7.303 -6.288 8.194 103 HA THR 14 HA THR 14 -8.307 -8.453 6.507 104 HB THR 14 HB THR 14 -7.727 -9.559 8.598 105 HG1 THR 14 1HG THR 14 -9.456 -10.475 7.757 106 1HG2 THR 14 1HG2 THR 14 -9.669 -7.653 9.978 107 2HG2 THR 14 2HG2 THR 14 -8.847 -9.047 10.697 108 3HG2 THR 14 3HG2 THR 14 -7.899 -7.648 10.167 109 H CYS 15 H CYS 15 -10.342 -8.151 5.829 110 HA CYS 15 HA CYS 15 -12.379 -7.355 5.453 111 1HB CYS 15 2HB CYS 15 -12.210 -6.363 8.333 112 2HB CYS 15 3HB CYS 15 -13.681 -6.425 7.354 113 HG CYS 15 HG CYS 15 -11.668 -8.907 8.144 114 H ALA 16 H ALA 16 -13.826 -5.560 5.214 115 HA ALA 16 HA ALA 16 -12.977 -3.500 3.661 116 1HB ALA 16 1HB ALA 16 -15.299 -4.204 3.923 117 2HB ALA 16 2HB ALA 16 -15.352 -3.500 5.555 118 3HB ALA 16 3HB ALA 16 -15.142 -2.449 4.137 119 H SER 17 H SER 17 -13.212 -3.496 7.183 120 HA SER 17 HA SER 17 -12.648 -0.810 7.782 121 1HB SER 17 2HB SER 17 -11.868 -1.707 9.916 122 2HB SER 17 3HB SER 17 -13.384 -2.465 9.397 123 HG SER 17 HG SER 17 -11.900 -4.163 8.437 124 H CYS 18 H CYS 18 -10.126 -3.371 8.151 125 HA CYS 18 HA CYS 18 -7.978 -1.575 8.178 126 1HB CYS 18 2HB CYS 18 -7.895 -4.430 7.131 127 2HB CYS 18 3HB CYS 18 -6.519 -3.424 7.614 128 HG CYS 18 HG CYS 18 -9.020 -4.468 9.469 129 H VAL 19 H VAL 19 -9.581 -3.171 5.433 130 HA VAL 19 HA VAL 19 -7.947 -2.363 3.366 131 HB VAL 19 HB VAL 19 -10.895 -2.809 3.655 132 1HG1 VAL 19 1HG1 VAL 19 -10.935 -1.202 1.873 133 2HG1 VAL 19 2HG1 VAL 19 -9.613 -2.040 1.025 134 3HG1 VAL 19 3HG1 VAL 19 -11.200 -2.814 1.215 135 1HG2 VAL 19 1HG2 VAL 19 -9.260 -4.694 3.716 136 2HG2 VAL 19 2HG2 VAL 19 -10.485 -4.817 2.438 137 3HG2 VAL 19 3HG2 VAL 19 -8.829 -4.308 2.040 138 H HIS 20 H HIS 20 -10.881 -0.506 4.467 139 HA HIS 20 HA HIS 20 -10.053 1.711 2.868 140 1HB HIS 20 2HB HIS 20 -11.924 2.799 3.339 141 2HB HIS 20 3HB HIS 20 -12.414 1.114 3.415 142 HD1 HIS 20 1HD HIS 20 -14.347 3.076 4.585 143 HD2 HIS 20 2HD HIS 20 -11.109 1.635 6.823 144 HE1 HIS 20 1HE HIS 20 -14.864 3.490 7.053 145 H LYS 21 H LYS 21 -9.205 0.758 6.097 146 HA LYS 21 HA LYS 21 -8.303 3.257 7.087 147 1HB LYS 21 2HB LYS 21 -8.464 0.991 8.329 148 2HB LYS 21 3HB LYS 21 -6.948 0.560 7.542 149 1HG LYS 21 2HG LYS 21 -6.230 1.302 9.583 150 2HG LYS 21 3HG LYS 21 -5.963 2.724 8.561 151 1HD LYS 21 2HD LYS 21 -8.169 3.633 9.337 152 2HD LYS 21 3HD LYS 21 -8.388 2.175 10.330 153 1HE LYS 21 2HE LYS 21 -6.304 2.754 11.606 154 2HE LYS 21 3HE LYS 21 -6.135 4.230 10.640 155 1HZ LYS 21 1HZ LYS 21 -7.171 4.658 12.747 156 2HZ LYS 21 2HZ LYS 21 -8.242 4.973 11.539 157 3HZ LYS 21 3HZ LYS 21 -8.388 3.600 12.436 158 H ILE 22 H ILE 22 -6.578 0.656 5.307 159 HA ILE 22 HA ILE 22 -4.135 2.078 4.969 160 HB ILE 22 HB ILE 22 -5.394 -0.160 3.353 161 1HG1 ILE 22 2HG1 ILE 22 -3.138 -0.212 5.415 162 2HG1 ILE 22 3HG1 ILE 22 -4.834 -0.598 5.781 163 1HG2 ILE 22 1HG2 ILE 22 -3.720 1.032 1.960 164 2HG2 ILE 22 2HG2 ILE 22 -2.535 0.906 3.277 165 3HG2 ILE 22 3HG2 ILE 22 -3.108 -0.545 2.433 166 1HD1 ILE 22 1HD1 ILE 22 -3.732 -2.616 5.551 167 2HD1 ILE 22 2HD1 ILE 22 -4.903 -2.385 4.241 168 3HD1 ILE 22 3HD1 ILE 22 -3.142 -2.210 3.925 169 H GLU 23 H GLU 23 -6.865 1.625 2.595 170 HA GLU 23 HA GLU 23 -5.710 3.342 0.683 171 1HB GLU 23 2HB GLU 23 -8.574 2.460 1.180 172 2HB GLU 23 3HB GLU 23 -8.154 3.552 -0.153 173 1HG GLU 23 2HG GLU 23 -6.558 2.019 -1.046 174 2HG GLU 23 3HG GLU 23 -6.740 0.890 0.305 175 H SER 24 H SER 24 -8.220 4.261 3.112 176 HA SER 24 HA SER 24 -8.314 6.966 2.281 177 1HB SER 24 2HB SER 24 -10.043 5.789 3.654 178 2HB SER 24 3HB SER 24 -8.990 5.897 5.068 179 HG SER 24 HG SER 24 -10.071 8.026 3.525 180 H SER 25 H SER 25 -6.179 5.347 4.695 181 HA SER 25 HA SER 25 -4.966 7.798 5.595 182 1HB SER 25 2HB SER 25 -4.835 5.670 6.847 183 2HB SER 25 3HB SER 25 -3.840 4.964 5.565 184 HG SER 25 HG SER 25 -3.189 7.282 7.096 185 H LEU 26 H LEU 26 -3.746 5.296 3.248 186 HA LEU 26 HA LEU 26 -1.431 6.852 2.729 187 1HB LEU 26 2HB LEU 26 -2.671 4.484 1.297 188 2HB LEU 26 3HB LEU 26 -1.244 5.333 0.676 189 HG LEU 26 HG LEU 26 -0.606 3.374 1.844 190 1HD1 LEU 26 1HD1 LEU 26 1.234 4.303 2.978 191 2HD1 LEU 26 2HD1 LEU 26 0.827 5.455 1.695 192 3HD1 LEU 26 3HD1 LEU 26 0.375 5.794 3.376 193 1HD2 LEU 26 1HD2 LEU 26 -0.621 3.203 4.294 194 2HD2 LEU 26 2HD2 LEU 26 -1.588 4.681 4.419 195 3HD2 LEU 26 3HD2 LEU 26 -2.260 3.220 3.658 196 H THR 27 H THR 27 -4.604 6.910 1.096 197 HA THR 27 HA THR 27 -3.669 8.245 -1.245 198 HB THR 27 HB THR 27 -6.051 9.091 -1.404 199 HG1 THR 27 1HG THR 27 -6.467 7.368 0.800 200 1HG2 THR 27 1HG2 THR 27 -5.522 6.109 -1.076 201 2HG2 THR 27 2HG2 THR 27 -6.975 6.814 -1.814 202 3HG2 THR 27 3HG2 THR 27 -5.385 7.079 -2.548 203 H LYS 28 H LYS 28 -3.584 9.509 1.953 204 HA LYS 28 HA LYS 28 -3.826 12.308 1.175 205 1HB LYS 28 2HB LYS 28 -2.377 11.061 3.528 206 2HB LYS 28 3HB LYS 28 -2.858 12.756 3.354 207 1HG LYS 28 2HG LYS 28 -4.674 10.336 3.719 208 2HG LYS 28 3HG LYS 28 -4.370 11.637 4.863 209 1HD LYS 28 2HD LYS 28 -5.507 13.219 3.260 210 2HD LYS 28 3HD LYS 28 -5.816 11.828 2.185 211 1HE LYS 28 2HE LYS 28 -6.990 10.677 4.122 212 2HE LYS 28 3HE LYS 28 -6.859 12.185 5.036 213 1HZ LYS 28 1HZ LYS 28 -8.267 11.808 2.473 214 2HZ LYS 28 2HZ LYS 28 -8.973 11.944 3.950 215 3HZ LYS 28 3HZ LYS 28 -8.179 13.233 3.301 216 H HIS 29 H HIS 29 -1.338 9.882 0.703 217 HA HIS 29 HA HIS 29 0.940 11.643 0.730 218 1HB HIS 29 2HB HIS 29 0.451 8.909 -0.514 219 2HB HIS 29 3HB HIS 29 1.995 9.740 -0.556 220 HD1 HIS 29 1HD HIS 29 3.549 8.552 1.233 221 HD2 HIS 29 2HD HIS 29 -0.407 9.218 2.479 222 HE1 HIS 29 1HE HIS 29 3.345 7.606 3.534 223 H ARG 30 H ARG 30 1.251 13.259 -0.726 224 HA ARG 30 HA ARG 30 -0.311 13.361 -3.164 225 1HB ARG 30 2HB ARG 30 1.860 15.245 -2.148 226 2HB ARG 30 3HB ARG 30 0.702 15.578 -3.447 227 1HG ARG 30 2HG ARG 30 -1.181 15.336 -1.834 228 2HG ARG 30 3HG ARG 30 -0.022 15.072 -0.524 229 1HD ARG 30 2HD ARG 30 1.016 17.350 -1.117 230 2HD ARG 30 3HD ARG 30 -0.286 17.554 -2.278 231 HE ARG 30 HE ARG 30 -1.752 18.080 -0.622 232 1HH1 ARG 30 2HH2 ARG 30 1.018 16.490 0.845 233 2HH1 ARG 30 1HH2 ARG 30 0.615 16.891 2.486 234 1HH2 ARG 30 2HH1 ARG 30 -2.351 18.643 1.545 235 2HH2 ARG 30 1HH1 ARG 30 -1.372 18.142 2.883 236 H GLY 31 H GLY 31 1.190 11.155 -3.386 237 1HA GLY 31 2HA GLY 31 2.135 11.485 -6.043 238 2HA GLY 31 1HA GLY 31 3.520 11.195 -4.966 239 H ILE 32 H ILE 32 0.313 9.864 -4.201 240 HA ILE 32 HA ILE 32 1.208 7.190 -5.089 241 HB ILE 32 HB ILE 32 0.930 7.503 -2.601 242 1HG1 ILE 32 2HG1 ILE 32 -0.693 5.406 -4.081 243 2HG1 ILE 32 3HG1 ILE 32 1.034 5.338 -3.668 244 1HG2 ILE 32 1HG2 ILE 32 -1.205 7.478 -1.627 245 2HG2 ILE 32 2HG2 ILE 32 -1.258 8.831 -2.759 246 3HG2 ILE 32 3HG2 ILE 32 -2.047 7.296 -3.175 247 1HD1 ILE 32 1HD1 ILE 32 -1.325 5.235 -1.757 248 2HD1 ILE 32 2HD1 ILE 32 -0.109 3.988 -2.058 249 3HD1 ILE 32 3HD1 ILE 32 0.346 5.486 -1.220 250 H LEU 33 H LEU 33 0.058 6.443 -6.780 251 HA LEU 33 HA LEU 33 -2.067 8.165 -7.892 252 1HB LEU 33 2HB LEU 33 -0.699 5.686 -9.001 253 2HB LEU 33 3HB LEU 33 -1.780 6.760 -9.884 254 HG LEU 33 HG LEU 33 0.915 7.626 -8.710 255 1HD1 LEU 33 1HD1 LEU 33 1.204 5.914 -10.441 256 2HD1 LEU 33 2HD1 LEU 33 0.181 6.846 -11.559 257 3HD1 LEU 33 3HD1 LEU 33 1.740 7.504 -11.012 258 1HD2 LEU 33 1HD2 LEU 33 -0.600 9.528 -9.000 259 2HD2 LEU 33 2HD2 LEU 33 0.624 9.549 -10.272 260 3HD2 LEU 33 3HD2 LEU 33 -1.017 8.987 -10.644 261 H TYR 34 H TYR 34 -1.559 4.823 -6.554 262 HA TYR 34 HA TYR 34 -4.409 4.567 -6.141 263 1HB TYR 34 2HB TYR 34 -3.629 3.815 -8.587 264 2HB TYR 34 3HB TYR 34 -2.857 2.477 -7.730 265 HD1 TYR 34 HD1 TYR 34 -4.087 0.580 -8.357 266 HD2 TYR 34 HD2 TYR 34 -6.184 4.233 -7.418 267 HE1 TYR 34 HE1 TYR 34 -6.234 -0.499 -8.876 268 HE2 TYR 34 HE2 TYR 34 -8.310 3.107 -7.710 269 HH TYR 34 HH TYR 34 -9.387 1.116 -8.318 270 H CYS 35 H CYS 35 -4.792 2.701 -4.719 271 HA CYS 35 HA CYS 35 -2.440 1.378 -3.502 272 1HB CYS 35 2HB CYS 35 -2.738 3.537 -2.267 273 2HB CYS 35 3HB CYS 35 -4.363 3.004 -1.801 274 HG CYS 35 HG CYS 35 -2.702 2.645 0.178 275 H SER 36 H SER 36 -3.855 -0.092 -5.045 276 HA SER 36 HA SER 36 -6.569 -0.487 -4.165 277 1HB SER 36 2HB SER 36 -6.674 -0.864 -6.317 278 2HB SER 36 3HB SER 36 -4.960 -1.260 -6.474 279 HG SER 36 HG SER 36 -5.586 -3.356 -5.555 280 H VAL 37 H VAL 37 -6.657 -1.280 -2.059 281 HA VAL 37 HA VAL 37 -4.828 -3.480 -1.423 282 HB VAL 37 HB VAL 37 -4.939 -1.429 -0.066 283 1HG1 VAL 37 1HG1 VAL 37 -7.271 -2.784 1.308 284 2HG1 VAL 37 2HG1 VAL 37 -6.468 -1.281 1.752 285 3HG1 VAL 37 3HG1 VAL 37 -7.460 -1.355 0.276 286 1HG2 VAL 37 1HG2 VAL 37 -4.443 -2.670 1.946 287 2HG2 VAL 37 2HG2 VAL 37 -5.364 -4.061 1.327 288 3HG2 VAL 37 3HG2 VAL 37 -3.825 -3.590 0.565 289 H ALA 38 H ALA 38 -5.470 -5.163 -2.479 290 HA ALA 38 HA ALA 38 -8.242 -6.145 -2.311 291 1HB ALA 38 1HB ALA 38 -7.030 -6.319 -4.426 292 2HB ALA 38 2HB ALA 38 -5.762 -7.277 -3.635 293 3HB ALA 38 3HB ALA 38 -7.406 -7.932 -3.779 294 H LEU 39 H LEU 39 -8.252 -6.329 -0.005 295 HA LEU 39 HA LEU 39 -7.057 -8.151 1.677 296 1HB LEU 39 2HB LEU 39 -8.935 -6.775 2.237 297 2HB LEU 39 3HB LEU 39 -10.006 -7.612 1.115 298 HG LEU 39 HG LEU 39 -10.286 -8.031 3.552 299 1HD1 LEU 39 1HD1 LEU 39 -11.215 -9.562 1.807 300 2HD1 LEU 39 2HD1 LEU 39 -9.813 -10.629 2.049 301 3HD1 LEU 39 3HD1 LEU 39 -10.920 -10.313 3.383 302 1HD2 LEU 39 1HD2 LEU 39 -7.769 -9.737 3.315 303 2HD2 LEU 39 2HD2 LEU 39 -7.915 -8.213 4.211 304 3HD2 LEU 39 3HD2 LEU 39 -8.851 -9.650 4.700 305 H ALA 40 H ALA 40 -9.302 -8.883 -0.978 306 HA ALA 40 HA ALA 40 -9.709 -11.561 -0.986 307 1HB ALA 40 1HB ALA 40 -10.398 -9.974 -2.782 308 2HB ALA 40 2HB ALA 40 -8.711 -9.910 -3.356 309 3HB ALA 40 3HB ALA 40 -9.622 -11.427 -3.450 310 H THR 41 H THR 41 -6.561 -10.000 -1.596 311 HA THR 41 HA THR 41 -5.186 -12.616 -1.805 312 HB THR 41 HB THR 41 -3.841 -11.464 -3.664 313 HG1 THR 41 1HG THR 41 -6.255 -9.979 -3.550 314 1HG2 THR 41 1HG2 THR 41 -5.198 -13.481 -3.985 315 2HG2 THR 41 2HG2 THR 41 -6.652 -12.486 -4.209 316 3HG2 THR 41 3HG2 THR 41 -5.316 -12.388 -5.374 317 H ASN 42 H ASN 42 -5.677 -10.613 0.296 318 HA ASN 42 HA ASN 42 -4.704 -9.068 1.564 319 1HB ASN 42 2HB ASN 42 -3.792 -11.777 2.015 320 2HB ASN 42 3HB ASN 42 -2.563 -10.674 2.608 321 1HD2 ASN 42 1HD2 ASN 42 -3.151 -9.039 4.207 322 2HD2 ASN 42 2HD2 ASN 42 -4.633 -9.248 5.173 323 H LYS 43 H LYS 43 -4.063 -8.000 -0.695 324 HA LYS 43 HA LYS 43 -1.328 -7.077 -0.179 325 1HB LYS 43 2HB LYS 43 -0.331 -7.717 -2.076 326 2HB LYS 43 3HB LYS 43 -1.391 -9.071 -1.900 327 1HG LYS 43 2HG LYS 43 -1.998 -6.642 -3.657 328 2HG LYS 43 3HG LYS 43 -1.010 -7.994 -4.174 329 1HD LYS 43 2HD LYS 43 -2.758 -9.555 -3.930 330 2HD LYS 43 3HD LYS 43 -3.836 -8.372 -3.141 331 1HE LYS 43 2HE LYS 43 -4.001 -7.041 -5.171 332 2HE LYS 43 3HE LYS 43 -2.616 -7.890 -5.861 333 1HZ LYS 43 1HZ LYS 43 -5.064 -9.313 -5.402 334 2HZ LYS 43 2HZ LYS 43 -4.745 -8.510 -6.827 335 3HZ LYS 43 3HZ LYS 43 -3.773 -9.740 -6.317 336 H ALA 44 H ALA 44 -0.683 -5.214 -1.234 337 HA ALA 44 HA ALA 44 -2.871 -3.387 -1.997 338 1HB ALA 44 1HB ALA 44 -0.186 -2.711 -0.741 339 2HB ALA 44 2HB ALA 44 -1.472 -1.567 -1.179 340 3HB ALA 44 3HB ALA 44 -1.730 -2.734 0.126 341 H HIS 45 H HIS 45 -2.989 -3.483 -4.114 342 HA HIS 45 HA HIS 45 -0.588 -3.316 -5.837 343 1HB HIS 45 2HB HIS 45 -2.868 -4.485 -6.387 344 2HB HIS 45 3HB HIS 45 -3.426 -2.841 -6.690 345 HD1 HIS 45 1HD HIS 45 -1.767 -5.593 -8.489 346 HD2 HIS 45 2HD HIS 45 -1.263 -1.502 -8.145 347 HE1 HIS 45 1HE HIS 45 -0.609 -4.860 -10.641 348 H ILE 46 H ILE 46 0.431 -1.576 -4.817 349 HA ILE 46 HA ILE 46 -0.953 1.009 -4.927 350 HB ILE 46 HB ILE 46 1.845 0.211 -4.136 351 1HG1 ILE 46 2HG1 ILE 46 -0.066 1.632 -2.318 352 2HG1 ILE 46 3HG1 ILE 46 -0.424 -0.065 -2.667 353 1HG2 ILE 46 1HG2 ILE 46 2.075 2.391 -5.119 354 2HG2 ILE 46 2HG2 ILE 46 0.658 2.995 -4.238 355 3HG2 ILE 46 3HG2 ILE 46 2.138 2.568 -3.367 356 1HD1 ILE 46 1HD1 ILE 46 1.746 -0.777 -1.994 357 2HD1 ILE 46 2HD1 ILE 46 2.308 0.883 -1.768 358 3HD1 ILE 46 3HD1 ILE 46 1.051 0.213 -0.686 359 H LYS 47 H LYS 47 -0.449 2.609 -6.320 360 HA LYS 47 HA LYS 47 1.547 2.061 -8.381 361 1HB LYS 47 2HB LYS 47 -1.151 3.303 -8.938 362 2HB LYS 47 3HB LYS 47 0.224 3.256 -10.064 363 1HG LYS 47 2HG LYS 47 0.143 0.679 -9.746 364 2HG LYS 47 3HG LYS 47 -1.464 0.926 -9.052 365 1HD LYS 47 2HD LYS 47 -0.494 1.793 -11.810 366 2HD LYS 47 3HD LYS 47 -1.510 0.383 -11.489 367 1HE LYS 47 2HE LYS 47 -3.387 1.770 -10.832 368 2HE LYS 47 3HE LYS 47 -2.380 3.230 -10.779 369 1HZ LYS 47 1HZ LYS 47 -2.948 1.782 -13.258 370 2HZ LYS 47 2HZ LYS 47 -3.649 3.199 -12.764 371 3HZ LYS 47 3HZ LYS 47 -2.043 3.144 -13.065 372 H TYR 48 H TYR 48 2.918 3.948 -8.435 373 HA TYR 48 HA TYR 48 2.128 6.381 -6.958 374 1HB TYR 48 2HB TYR 48 3.691 6.127 -5.222 375 2HB TYR 48 3HB TYR 48 2.744 4.655 -5.221 376 HD1 TYR 48 HD1 TYR 48 3.851 2.649 -6.730 377 HD2 TYR 48 HD2 TYR 48 5.988 5.873 -4.853 378 HE1 TYR 48 HE1 TYR 48 6.020 1.597 -7.340 379 HE2 TYR 48 HE2 TYR 48 8.067 4.578 -5.016 380 HH TYR 48 HH TYR 48 9.104 2.720 -5.937 381 H ASP 49 H ASP 49 4.013 7.860 -6.786 382 HA ASP 49 HA ASP 49 5.504 7.932 -9.358 383 1HB ASP 49 2HB ASP 49 4.741 10.057 -7.358 384 2HB ASP 49 3HB ASP 49 5.578 10.311 -8.911 385 HA PRO 50 HA PRO 50 8.561 6.639 -6.034 386 1HB PRO 50 2HB PRO 50 10.508 5.785 -7.915 387 2HB PRO 50 3HB PRO 50 9.329 4.761 -7.068 388 1HG PRO 50 2HG PRO 50 9.144 5.966 -9.816 389 2HG PRO 50 3HG PRO 50 8.621 4.340 -9.285 390 1HD PRO 50 2HD PRO 50 6.844 6.301 -9.666 391 2HD PRO 50 3HD PRO 50 6.672 5.235 -8.239 392 H GLU 51 H GLU 51 9.110 8.516 -9.016 393 HA GLU 51 HA GLU 51 11.502 9.787 -8.316 394 1HB GLU 51 2HB GLU 51 10.611 11.635 -9.809 395 2HB GLU 51 3HB GLU 51 10.785 10.036 -10.520 396 1HG GLU 51 2HG GLU 51 8.076 10.728 -9.389 397 2HG GLU 51 3HG GLU 51 8.593 11.533 -10.862 398 H ILE 52 H ILE 52 8.408 10.241 -6.715 399 HA ILE 52 HA ILE 52 9.576 12.620 -5.319 400 HB ILE 52 HB ILE 52 7.219 13.354 -4.934 401 1HG1 ILE 52 2HG1 ILE 52 6.556 11.504 -7.246 402 2HG1 ILE 52 3HG1 ILE 52 5.925 11.356 -5.594 403 1HG2 ILE 52 1HG2 ILE 52 8.064 13.239 -7.851 404 2HG2 ILE 52 2HG2 ILE 52 7.205 14.577 -7.037 405 3HG2 ILE 52 3HG2 ILE 52 8.899 14.258 -6.650 406 1HD1 ILE 52 1HD1 ILE 52 4.864 13.609 -5.841 407 2HD1 ILE 52 2HD1 ILE 52 5.325 13.587 -7.563 408 3HD1 ILE 52 3HD1 ILE 52 4.231 12.367 -6.937 409 H ILE 53 H ILE 53 7.202 9.960 -4.936 410 HA ILE 53 HA ILE 53 7.179 10.642 -2.086 411 HB ILE 53 HB ILE 53 5.190 10.189 -3.604 412 1HG1 ILE 53 2HG1 ILE 53 3.929 8.877 -1.790 413 2HG1 ILE 53 3HG1 ILE 53 5.416 9.119 -0.872 414 1HG2 ILE 53 1HG2 ILE 53 5.981 8.232 -4.686 415 2HG2 ILE 53 2HG2 ILE 53 5.919 7.317 -3.143 416 3HG2 ILE 53 3HG2 ILE 53 4.434 7.932 -3.876 417 1HD1 ILE 53 1HD1 ILE 53 3.910 10.958 -0.398 418 2HD1 ILE 53 2HD1 ILE 53 5.225 11.604 -1.392 419 3HD1 ILE 53 3HD1 ILE 53 3.653 11.236 -2.137 420 H GLY 54 H GLY 54 8.342 8.003 -4.117 421 1HA GLY 54 2HA GLY 54 9.871 6.374 -3.683 422 2HA GLY 54 1HA GLY 54 10.099 6.979 -2.037 423 HA PRO 55 HA PRO 55 7.109 3.206 -2.270 424 1HB PRO 55 2HB PRO 55 8.727 1.019 -1.997 425 2HB PRO 55 3HB PRO 55 8.369 1.761 -3.578 426 1HG PRO 55 2HG PRO 55 10.837 2.166 -1.882 427 2HG PRO 55 3HG PRO 55 10.740 1.847 -3.632 428 1HD PRO 55 2HD PRO 55 11.023 4.384 -2.602 429 2HD PRO 55 3HD PRO 55 10.120 4.062 -4.104 430 H ARG 56 H ARG 56 10.133 3.566 -0.434 431 HA ARG 56 HA ARG 56 9.488 2.157 1.866 432 1HB ARG 56 2HB ARG 56 11.734 3.084 1.215 433 2HB ARG 56 3HB ARG 56 11.178 4.674 1.784 434 1HG ARG 56 2HG ARG 56 10.685 3.606 4.016 435 2HG ARG 56 3HG ARG 56 11.368 2.098 3.430 436 1HD ARG 56 2HD ARG 56 12.857 4.769 3.550 437 2HD ARG 56 3HD ARG 56 12.918 3.590 4.843 438 HE ARG 56 HE ARG 56 14.318 3.532 2.295 439 1HH1 ARG 56 2HH2 ARG 56 13.033 1.494 4.860 440 2HH1 ARG 56 1HH2 ARG 56 14.157 0.189 4.635 441 1HH2 ARG 56 2HH1 ARG 56 15.836 1.818 1.935 442 2HH2 ARG 56 1HH1 ARG 56 15.785 0.383 2.905 443 H ASP 57 H ASP 57 8.588 5.499 0.980 444 HA ASP 57 HA ASP 57 7.664 6.352 3.528 445 1HB ASP 57 2HB ASP 57 8.096 7.922 1.729 446 2HB ASP 57 3HB ASP 57 6.888 7.144 0.692 447 H ILE 58 H ILE 58 5.766 5.109 0.708 448 HA ILE 58 HA ILE 58 3.333 4.850 2.114 449 HB ILE 58 HB ILE 58 4.353 3.296 -0.307 450 1HG1 ILE 58 2HG1 ILE 58 2.486 4.612 -1.392 451 2HG1 ILE 58 3HG1 ILE 58 2.449 5.639 0.048 452 1HG2 ILE 58 1HG2 ILE 58 1.912 2.672 -0.575 453 2HG2 ILE 58 2HG2 ILE 58 2.792 1.804 0.684 454 3HG2 ILE 58 3HG2 ILE 58 1.683 3.122 1.107 455 1HD1 ILE 58 1HD1 ILE 58 3.729 6.487 -1.936 456 2HD1 ILE 58 2HD1 ILE 58 4.717 6.417 -0.470 457 3HD1 ILE 58 3HD1 ILE 58 4.881 5.160 -1.733 458 H ILE 59 H ILE 59 6.013 2.491 1.776 459 HA ILE 59 HA ILE 59 4.791 0.372 3.209 460 HB ILE 59 HB ILE 59 7.673 1.172 2.810 461 1HG1 ILE 59 2HG1 ILE 59 6.165 -1.258 1.780 462 2HG1 ILE 59 3HG1 ILE 59 6.038 0.299 0.950 463 1HG2 ILE 59 1HG2 ILE 59 6.617 -1.302 4.231 464 2HG2 ILE 59 2HG2 ILE 59 8.276 -1.134 3.629 465 3HG2 ILE 59 3HG2 ILE 59 7.701 -0.068 4.905 466 1HD1 ILE 59 1HD1 ILE 59 7.731 -1.010 -0.109 467 2HD1 ILE 59 2HD1 ILE 59 8.477 0.395 0.679 468 3HD1 ILE 59 3HD1 ILE 59 8.626 -1.217 1.414 469 H HIS 60 H HIS 60 6.861 3.029 4.514 470 HA HIS 60 HA HIS 60 6.868 2.312 7.219 471 1HB HIS 60 2HB HIS 60 6.659 5.101 5.996 472 2HB HIS 60 3HB HIS 60 6.948 4.763 7.696 473 HD1 HIS 60 1HD HIS 60 8.947 6.251 5.555 474 HD2 HIS 60 2HD HIS 60 9.200 2.559 7.542 475 HE1 HIS 60 1HE HIS 60 11.438 5.760 5.860 476 H THR 61 H THR 61 4.396 4.107 5.309 477 HA THR 61 HA THR 61 2.814 4.696 7.629 478 HB THR 61 HB THR 61 1.183 4.416 5.251 479 HG1 THR 61 1HG THR 61 3.643 5.824 4.970 480 1HG2 THR 61 1HG2 THR 61 0.766 6.783 5.631 481 2HG2 THR 61 2HG2 THR 61 0.700 5.902 7.163 482 3HG2 THR 61 3HG2 THR 61 2.134 6.880 6.758 483 H ILE 62 H ILE 62 2.642 2.041 5.204 484 HA ILE 62 HA ILE 62 0.345 0.787 6.312 485 HB ILE 62 HB ILE 62 2.613 -0.286 4.618 486 1HG1 ILE 62 2HG1 ILE 62 -0.282 0.510 4.025 487 2HG1 ILE 62 3HG1 ILE 62 1.126 1.514 3.684 488 1HG2 ILE 62 1HG2 ILE 62 1.562 -2.181 5.846 489 2HG2 ILE 62 2HG2 ILE 62 -0.039 -1.644 5.287 490 3HG2 ILE 62 3HG2 ILE 62 1.172 -2.233 4.136 491 1HD1 ILE 62 1HD1 ILE 62 0.496 0.502 1.648 492 2HD1 ILE 62 2HD1 ILE 62 1.998 -0.291 2.172 493 3HD1 ILE 62 3HD1 ILE 62 0.424 -1.116 2.355 494 H GLU 63 H GLU 63 3.835 0.102 7.053 495 HA GLU 63 HA GLU 63 3.094 -1.876 9.030 496 1HB GLU 63 2HB GLU 63 5.380 -1.877 9.759 497 2HB GLU 63 3HB GLU 63 5.210 -2.019 8.014 498 1HG GLU 63 2HG GLU 63 7.050 -0.625 8.254 499 2HG GLU 63 3HG GLU 63 5.740 0.492 7.884 500 H SER 64 H SER 64 3.929 1.567 9.332 501 HA SER 64 HA SER 64 3.703 1.755 12.100 502 1HB SER 64 2HB SER 64 4.682 3.457 10.731 503 2HB SER 64 3HB SER 64 3.142 3.811 9.934 504 HG SER 64 HG SER 64 3.728 5.263 11.680 505 H LEU 65 H LEU 65 0.994 2.116 9.663 506 HA LEU 65 HA LEU 65 -1.047 2.550 11.577 507 1HB LEU 65 2HB LEU 65 -1.019 1.176 8.871 508 2HB LEU 65 3HB LEU 65 -2.505 1.541 9.747 509 HG LEU 65 HG LEU 65 -0.523 3.773 9.175 510 1HD1 LEU 65 1HD1 LEU 65 -2.636 2.739 7.252 511 2HD1 LEU 65 2HD1 LEU 65 -1.618 4.192 7.049 512 3HD1 LEU 65 3HD1 LEU 65 -0.869 2.588 7.088 513 1HD2 LEU 65 1HD2 LEU 65 -2.547 5.147 9.202 514 2HD2 LEU 65 2HD2 LEU 65 -3.555 3.705 9.454 515 3HD2 LEU 65 3HD2 LEU 65 -2.404 4.224 10.709 516 H GLY 66 H GLY 66 0.163 -0.537 10.119 517 1HA GLY 66 2HA GLY 66 -0.580 -1.948 12.571 518 2HA GLY 66 1HA GLY 66 -1.670 -2.299 11.226 519 H PHE 67 H PHE 67 0.500 -2.242 9.169 520 HA PHE 67 HA PHE 67 0.187 -5.154 9.572 521 1HB PHE 67 2HB PHE 67 0.014 -3.533 7.038 522 2HB PHE 67 3HB PHE 67 -0.748 -5.068 7.421 523 HD1 PHE 67 1HD PHE 67 -2.540 -5.039 9.355 524 HD2 PHE 67 2HD PHE 67 -1.165 -1.487 7.340 525 HE1 PHE 67 1HE PHE 67 -4.722 -3.951 9.766 526 HE2 PHE 67 2HE PHE 67 -3.325 -0.386 7.800 527 HZ PHE 67 HZ PHE 67 -5.208 -1.711 8.716 528 H GLU 68 H GLU 68 1.879 -6.680 8.888 529 HA GLU 68 HA GLU 68 4.380 -5.363 8.230 530 1HB GLU 68 2HB GLU 68 4.269 -8.285 7.817 531 2HB GLU 68 3HB GLU 68 5.471 -7.256 8.560 532 1HG GLU 68 2HG GLU 68 4.696 -8.465 10.373 533 2HG GLU 68 3HG GLU 68 3.696 -7.013 10.514 534 H ALA 69 H ALA 69 4.456 -4.383 6.328 535 HA ALA 69 HA ALA 69 3.254 -5.391 3.911 536 1HB ALA 69 1HB ALA 69 4.417 -3.378 2.909 537 2HB ALA 69 2HB ALA 69 3.465 -2.981 4.357 538 3HB ALA 69 3HB ALA 69 5.229 -3.134 4.464 539 H SER 70 H SER 70 4.357 -6.124 2.005 540 HA SER 70 HA SER 70 7.304 -6.494 2.057 541 1HB SER 70 2HB SER 70 5.284 -8.760 1.856 542 2HB SER 70 3HB SER 70 6.985 -8.908 1.383 543 HG SER 70 HG SER 70 6.590 -7.812 3.890 544 H LEU 71 H LEU 71 7.664 -5.245 0.290 545 HA LEU 71 HA LEU 71 6.041 -5.197 -2.097 546 1HB LEU 71 2HB LEU 71 7.657 -3.805 -3.034 547 2HB LEU 71 3HB LEU 71 7.278 -3.280 -1.393 548 HG LEU 71 HG LEU 71 9.868 -4.664 -2.240 549 1HD1 LEU 71 1HD1 LEU 71 9.260 -1.750 -1.607 550 2HD1 LEU 71 2HD1 LEU 71 10.848 -2.437 -1.991 551 3HD1 LEU 71 3HD1 LEU 71 9.572 -2.422 -3.216 552 1HD2 LEU 71 1HD2 LEU 71 10.674 -3.744 -0.017 553 2HD2 LEU 71 2HD2 LEU 71 8.977 -3.473 0.419 554 3HD2 LEU 71 3HD2 LEU 71 9.589 -5.123 0.103 555 H VAL 72 H VAL 72 5.813 -7.515 -2.188 556 HA VAL 72 HA VAL 72 7.778 -9.197 -3.247 557 HB VAL 72 HB VAL 72 5.925 -10.528 -4.158 558 1HG1 VAL 72 1HG1 VAL 72 4.925 -11.115 -2.058 559 2HG1 VAL 72 2HG1 VAL 72 6.621 -10.690 -1.786 560 3HG1 VAL 72 3HG1 VAL 72 5.336 -9.546 -1.350 561 1HG2 VAL 72 1HG2 VAL 72 4.052 -8.319 -3.240 562 2HG2 VAL 72 2HG2 VAL 72 4.327 -8.831 -4.920 563 3HG2 VAL 72 3HG2 VAL 72 3.597 -9.945 -3.789 564 H LYS 73 H LYS 73 5.495 -7.062 -5.112 565 HA LYS 73 HA LYS 73 5.516 -6.324 -7.161 566 1HB LYS 73 2HB LYS 73 8.294 -7.406 -7.726 567 2HB LYS 73 3HB LYS 73 7.377 -6.162 -8.580 568 1HG LYS 73 2HG LYS 73 7.601 -4.595 -6.729 569 2HG LYS 73 3HG LYS 73 8.304 -5.850 -5.709 570 1HD LYS 73 2HD LYS 73 10.106 -4.586 -6.317 571 2HD LYS 73 3HD LYS 73 10.250 -6.056 -7.270 572 1HE LYS 73 2HE LYS 73 9.063 -3.442 -8.369 573 2HE LYS 73 3HE LYS 73 10.796 -3.790 -8.369 574 1HZ LYS 73 1HZ LYS 73 8.775 -5.361 -9.873 575 2HZ LYS 73 2HZ LYS 73 9.960 -4.424 -10.467 576 3HZ LYS 73 3HZ LYS 73 10.253 -5.842 -9.702 577 H ILE 74 H ILE 74 5.029 -7.171 -9.205 578 HA ILE 74 HA ILE 74 4.365 -10.029 -9.348 579 HB ILE 74 HB ILE 74 4.375 -7.918 -11.560 580 1HG1 ILE 74 2HG1 ILE 74 1.767 -8.491 -11.183 581 2HG1 ILE 74 3HG1 ILE 74 2.309 -8.807 -9.537 582 1HG2 ILE 74 1HG2 ILE 74 2.991 -9.558 -12.789 583 2HG2 ILE 74 2HG2 ILE 74 4.596 -10.202 -12.464 584 3HG2 ILE 74 3HG2 ILE 74 3.219 -10.735 -11.478 585 1HD1 ILE 74 1HD1 ILE 74 2.700 -6.218 -11.124 586 2HD1 ILE 74 2HD1 ILE 74 1.475 -6.501 -9.874 587 3HD1 ILE 74 3HD1 ILE 74 3.186 -6.456 -9.433 588 H GLU 75 H GLU 75 6.739 -7.820 -10.884 589 HA GLU 75 HA GLU 75 8.872 -9.697 -10.566 590 1HB GLU 75 2HB GLU 75 8.035 -10.116 -12.947 591 2HB GLU 75 3HB GLU 75 8.285 -8.395 -13.283 592 1HG GLU 75 2HG GLU 75 10.714 -8.689 -12.733 593 2HG GLU 75 3HG GLU 75 10.425 -10.418 -12.477 Start of MODEL 25 1 1H MET 1 H1 MET 1 7.091 7.593 -14.628 2 2H MET 1 H2 MET 1 7.048 9.260 -14.596 3 3H MET 1 H3 MET 1 5.903 8.361 -13.847 4 HA MET 1 HA MET 1 4.807 8.991 -15.758 5 1HB MET 1 2HB MET 1 7.361 8.190 -17.240 6 2HB MET 1 3HB MET 1 5.801 8.427 -18.024 7 1HG MET 1 2HG MET 1 5.844 10.781 -16.839 8 2HG MET 1 3HG MET 1 7.590 10.508 -16.849 9 1HE MET 1 1HE MET 1 7.704 8.738 -19.684 10 2HE MET 1 2HE MET 1 8.114 10.059 -20.797 11 3HE MET 1 3HE MET 1 8.912 9.961 -19.209 12 H GLY 2 H GLY 2 3.840 7.457 -17.487 13 1HA GLY 2 2HA GLY 2 2.684 5.493 -17.779 14 2HA GLY 2 1HA GLY 2 4.046 4.591 -17.072 15 H ASP 3 H ASP 3 3.646 3.751 -15.053 16 HA ASP 3 HA ASP 3 3.081 5.640 -13.075 17 1HB ASP 3 2HB ASP 3 1.310 4.625 -11.844 18 2HB ASP 3 3HB ASP 3 0.700 4.945 -13.468 19 H GLY 4 H GLY 4 4.270 5.068 -11.257 20 1HA GLY 4 2HA GLY 4 6.041 2.778 -11.427 21 2HA GLY 4 1HA GLY 4 5.845 3.854 -10.055 22 H VAL 5 H VAL 5 4.397 1.111 -11.767 23 HA VAL 5 HA VAL 5 2.456 0.515 -9.803 24 HB VAL 5 HB VAL 5 2.291 -0.178 -12.142 25 1HG1 VAL 5 1HG1 VAL 5 3.442 -2.071 -13.069 26 2HG1 VAL 5 2HG1 VAL 5 4.647 -0.884 -12.554 27 3HG1 VAL 5 3HG1 VAL 5 4.354 -2.341 -11.578 28 1HG2 VAL 5 1HG2 VAL 5 1.271 -2.339 -11.755 29 2HG2 VAL 5 2HG2 VAL 5 2.214 -2.582 -10.272 30 3HG2 VAL 5 3HG2 VAL 5 0.990 -1.302 -10.342 31 H LEU 6 H LEU 6 2.523 -0.590 -7.896 32 HA LEU 6 HA LEU 6 4.963 -2.116 -7.188 33 1HB LEU 6 2HB LEU 6 5.039 0.337 -6.667 34 2HB LEU 6 3HB LEU 6 3.689 0.128 -5.573 35 HG LEU 6 HG LEU 6 5.769 0.231 -4.396 36 1HD1 LEU 6 1HD1 LEU 6 4.879 -2.661 -4.173 37 2HD1 LEU 6 2HD1 LEU 6 5.660 -1.646 -2.953 38 3HD1 LEU 6 3HD1 LEU 6 4.007 -1.274 -3.472 39 1HD2 LEU 6 1HD2 LEU 6 6.729 -2.311 -5.771 40 2HD2 LEU 6 2HD2 LEU 6 7.232 -0.675 -6.247 41 3HD2 LEU 6 3HD2 LEU 6 7.610 -1.283 -4.629 42 H GLU 7 H GLU 7 4.056 -4.038 -7.026 43 HA GLU 7 HA GLU 7 1.533 -4.403 -5.545 44 1HB GLU 7 2HB GLU 7 2.610 -5.587 -7.829 45 2HB GLU 7 3HB GLU 7 2.991 -6.773 -6.579 46 1HG GLU 7 2HG GLU 7 0.857 -7.312 -7.424 47 2HG GLU 7 3HG GLU 7 0.549 -6.556 -5.836 48 H LEU 8 H LEU 8 1.876 -4.297 -3.316 49 HA LEU 8 HA LEU 8 3.997 -6.137 -2.285 50 1HB LEU 8 2HB LEU 8 4.318 -4.849 -0.337 51 2HB LEU 8 3HB LEU 8 4.612 -3.889 -1.780 52 HG LEU 8 HG LEU 8 2.301 -2.836 -1.383 53 1HD1 LEU 8 1HD1 LEU 8 1.614 -2.824 1.020 54 2HD1 LEU 8 2HD1 LEU 8 1.402 -4.426 0.341 55 3HD1 LEU 8 3HD1 LEU 8 2.799 -4.094 1.373 56 1HD2 LEU 8 1HD2 LEU 8 4.412 -1.672 -0.991 57 2HD2 LEU 8 2HD2 LEU 8 3.275 -1.294 0.304 58 3HD2 LEU 8 3HD2 LEU 8 4.584 -2.460 0.585 59 H VAL 9 H VAL 9 3.483 -7.651 -0.808 60 HA VAL 9 HA VAL 9 0.611 -8.143 -0.395 61 HB VAL 9 HB VAL 9 2.150 -10.000 -0.962 62 1HG1 VAL 9 1HG1 VAL 9 3.109 -9.726 1.922 63 2HG1 VAL 9 2HG1 VAL 9 3.483 -11.046 0.799 64 3HG1 VAL 9 3HG1 VAL 9 4.087 -9.422 0.469 65 1HG2 VAL 9 1HG2 VAL 9 0.611 -10.254 1.647 66 2HG2 VAL 9 2HG2 VAL 9 -0.064 -10.377 0.007 67 3HG2 VAL 9 3HG2 VAL 9 1.097 -11.582 0.579 68 H VAL 10 H VAL 10 -0.332 -8.005 1.688 69 HA VAL 10 HA VAL 10 1.201 -6.366 3.666 70 HB VAL 10 HB VAL 10 -1.811 -6.490 3.240 71 1HG1 VAL 10 1HG1 VAL 10 0.016 -4.734 4.955 72 2HG1 VAL 10 2HG1 VAL 10 -1.694 -4.386 4.676 73 3HG1 VAL 10 3HG1 VAL 10 -1.239 -5.856 5.533 74 1HG2 VAL 10 1HG2 VAL 10 -1.632 -4.215 2.320 75 2HG2 VAL 10 2HG2 VAL 10 0.138 -4.307 2.421 76 3HG2 VAL 10 3HG2 VAL 10 -0.761 -5.361 1.300 77 H ARG 11 H ARG 11 0.872 -7.004 5.888 78 HA ARG 11 HA ARG 11 -0.603 -9.542 6.387 79 1HB ARG 11 2HB ARG 11 2.301 -8.990 6.578 80 2HB ARG 11 3HB ARG 11 1.630 -9.666 8.074 81 1HG ARG 11 2HG ARG 11 1.119 -10.864 5.334 82 2HG ARG 11 3HG ARG 11 2.565 -11.254 6.282 83 1HD ARG 11 2HD ARG 11 1.313 -12.178 8.083 84 2HD ARG 11 3HD ARG 11 -0.218 -11.528 7.462 85 HE ARG 11 HE ARG 11 0.903 -13.227 5.485 86 1HH1 ARG 11 2HH2 ARG 11 -0.534 -13.445 8.690 87 2HH1 ARG 11 1HH2 ARG 11 -1.214 -15.028 8.474 88 1HH2 ARG 11 2HH1 ARG 11 0.027 -15.346 5.143 89 2HH2 ARG 11 1HH1 ARG 11 -0.868 -16.140 6.396 90 H GLY 12 H GLY 12 -2.073 -9.162 7.912 91 1HA GLY 12 2HA GLY 12 -2.240 -8.636 10.358 92 2HA GLY 12 1HA GLY 12 -1.608 -7.031 9.980 93 H MET 13 H MET 13 -2.907 -6.476 7.583 94 HA MET 13 HA MET 13 -5.543 -5.729 8.287 95 1HB MET 13 2HB MET 13 -5.813 -5.186 5.919 96 2HB MET 13 3HB MET 13 -4.219 -4.692 6.499 97 1HG MET 13 2HG MET 13 -3.656 -5.669 4.489 98 2HG MET 13 3HG MET 13 -3.435 -7.039 5.571 99 1HE MET 13 1HE MET 13 -6.544 -6.437 2.280 100 2HE MET 13 2HE MET 13 -6.255 -5.234 3.564 101 3HE MET 13 3HE MET 13 -4.949 -5.672 2.431 102 H THR 14 H THR 14 -7.541 -6.726 7.996 103 HA THR 14 HA THR 14 -7.825 -9.319 6.696 104 HB THR 14 HB THR 14 -6.557 -9.963 8.712 105 HG1 THR 14 1HG THR 14 -9.285 -10.651 8.722 106 1HG2 THR 14 1HG2 THR 14 -7.171 -8.081 10.215 107 2HG2 THR 14 2HG2 THR 14 -8.826 -8.718 10.330 108 3HG2 THR 14 3HG2 THR 14 -7.463 -9.661 10.955 109 H CYS 15 H CYS 15 -9.218 -6.558 6.811 110 HA CYS 15 HA CYS 15 -11.932 -7.494 6.906 111 1HB CYS 15 2HB CYS 15 -11.636 -7.421 9.348 112 2HB CYS 15 3HB CYS 15 -10.903 -5.807 9.237 113 HG CYS 15 HG CYS 15 -13.285 -5.592 10.224 114 H ALA 16 H ALA 16 -13.307 -5.951 6.023 115 HA ALA 16 HA ALA 16 -12.659 -4.125 4.153 116 1HB ALA 16 1HB ALA 16 -14.868 -3.124 4.535 117 2HB ALA 16 2HB ALA 16 -14.925 -4.895 4.623 118 3HB ALA 16 3HB ALA 16 -14.971 -3.929 6.116 119 H SER 17 H SER 17 -12.939 -3.396 7.626 120 HA SER 17 HA SER 17 -12.435 -0.622 7.621 121 1HB SER 17 2HB SER 17 -11.616 -1.043 9.932 122 2HB SER 17 3HB SER 17 -13.158 -1.849 9.570 123 HG SER 17 HG SER 17 -11.679 -3.708 8.953 124 H CYS 18 H CYS 18 -9.905 -2.844 8.751 125 HA CYS 18 HA CYS 18 -7.634 -1.402 8.341 126 1HB CYS 18 2HB CYS 18 -8.064 -4.387 7.857 127 2HB CYS 18 3HB CYS 18 -6.472 -3.605 7.920 128 HG CYS 18 HG CYS 18 -6.898 -4.818 10.176 129 H VAL 19 H VAL 19 -9.241 -3.419 5.898 130 HA VAL 19 HA VAL 19 -7.598 -3.079 3.706 131 HB VAL 19 HB VAL 19 -10.555 -3.429 4.077 132 1HG1 VAL 19 1HG1 VAL 19 -10.591 -2.251 2.000 133 2HG1 VAL 19 2HG1 VAL 19 -9.186 -3.165 1.393 134 3HG1 VAL 19 3HG1 VAL 19 -10.754 -3.969 1.647 135 1HG2 VAL 19 1HG2 VAL 19 -10.149 -5.637 3.344 136 2HG2 VAL 19 2HG2 VAL 19 -8.507 -5.205 2.794 137 3HG2 VAL 19 3HG2 VAL 19 -8.883 -5.254 4.531 138 H HIS 20 H HIS 20 -10.551 -1.028 4.370 139 HA HIS 20 HA HIS 20 -9.652 0.726 2.346 140 1HB HIS 20 2HB HIS 20 -11.472 2.037 2.515 141 2HB HIS 20 3HB HIS 20 -11.972 0.359 2.682 142 HD1 HIS 20 1HD HIS 20 -14.160 2.064 3.522 143 HD2 HIS 20 2HD HIS 20 -10.789 1.707 5.939 144 HE1 HIS 20 1HE HIS 20 -14.793 3.021 5.806 145 H LYS 21 H LYS 21 -8.848 0.451 5.669 146 HA LYS 21 HA LYS 21 -8.285 3.155 6.294 147 1HB LYS 21 2HB LYS 21 -8.528 1.152 7.879 148 2HB LYS 21 3HB LYS 21 -6.842 0.754 7.491 149 1HG LYS 21 2HG LYS 21 -6.180 3.041 8.296 150 2HG LYS 21 3HG LYS 21 -7.881 3.342 8.687 151 1HD LYS 21 2HD LYS 21 -7.766 1.190 10.130 152 2HD LYS 21 3HD LYS 21 -6.006 1.298 9.926 153 1HE LYS 21 2HE LYS 21 -6.192 3.702 10.860 154 2HE LYS 21 3HE LYS 21 -7.888 3.356 11.203 155 1HZ LYS 21 1HZ LYS 21 -7.169 1.577 12.656 156 2HZ LYS 21 2HZ LYS 21 -5.586 1.900 12.338 157 3HZ LYS 21 3HZ LYS 21 -6.511 3.008 13.118 158 H ILE 22 H ILE 22 -6.287 0.494 5.010 159 HA ILE 22 HA ILE 22 -3.812 1.873 4.817 160 HB ILE 22 HB ILE 22 -5.027 -0.352 3.148 161 1HG1 ILE 22 2HG1 ILE 22 -2.848 -0.405 5.249 162 2HG1 ILE 22 3HG1 ILE 22 -4.556 -0.723 5.583 163 1HG2 ILE 22 1HG2 ILE 22 -2.150 0.708 3.155 164 2HG2 ILE 22 2HG2 ILE 22 -2.689 -0.751 2.302 165 3HG2 ILE 22 3HG2 ILE 22 -3.269 0.822 1.789 166 1HD1 ILE 22 1HD1 ILE 22 -2.865 -2.417 3.721 167 2HD1 ILE 22 2HD1 ILE 22 -3.302 -2.785 5.394 168 3HD1 ILE 22 3HD1 ILE 22 -4.570 -2.675 4.173 169 H GLU 23 H GLU 23 -6.120 1.339 2.083 170 HA GLU 23 HA GLU 23 -5.003 3.187 0.337 171 1HB GLU 23 2HB GLU 23 -7.374 3.317 -0.644 172 2HB GLU 23 3HB GLU 23 -6.539 1.750 -0.584 173 1HG GLU 23 2HG GLU 23 -8.340 0.883 0.270 174 2HG GLU 23 3HG GLU 23 -7.995 1.787 1.736 175 H SER 24 H SER 24 -7.899 3.929 2.354 176 HA SER 24 HA SER 24 -8.026 6.582 1.779 177 1HB SER 24 2HB SER 24 -9.709 5.305 3.026 178 2HB SER 24 3HB SER 24 -8.697 5.305 4.475 179 HG SER 24 HG SER 24 -9.805 7.553 3.138 180 H SER 25 H SER 25 -5.909 5.106 4.296 181 HA SER 25 HA SER 25 -4.808 7.606 5.198 182 1HB SER 25 2HB SER 25 -4.618 5.479 6.465 183 2HB SER 25 3HB SER 25 -3.517 4.850 5.224 184 HG SER 25 HG SER 25 -3.127 7.189 6.809 185 H LEU 26 H LEU 26 -3.410 5.207 2.810 186 HA LEU 26 HA LEU 26 -1.204 6.917 2.486 187 1HB LEU 26 2HB LEU 26 -2.066 5.169 0.191 188 2HB LEU 26 3HB LEU 26 -0.442 5.733 0.696 189 HG LEU 26 HG LEU 26 -2.116 3.620 2.069 190 1HD1 LEU 26 1HD1 LEU 26 0.402 3.567 0.408 191 2HD1 LEU 26 2HD1 LEU 26 -0.291 2.154 1.262 192 3HD1 LEU 26 3HD1 LEU 26 -1.177 2.944 -0.059 193 1HD2 LEU 26 1HD2 LEU 26 0.641 4.734 2.726 194 2HD2 LEU 26 2HD2 LEU 26 -0.823 4.853 3.736 195 3HD2 LEU 26 3HD2 LEU 26 -0.075 3.276 3.459 196 H THR 27 H THR 27 -4.296 6.850 0.752 197 HA THR 27 HA THR 27 -3.575 8.521 -1.412 198 HB THR 27 HB THR 27 -6.283 8.226 -0.059 199 HG1 THR 27 1HG THR 27 -5.490 6.226 -0.657 200 1HG2 THR 27 1HG2 THR 27 -5.497 9.016 -2.904 201 2HG2 THR 27 2HG2 THR 27 -7.143 8.618 -2.374 202 3HG2 THR 27 3HG2 THR 27 -6.334 10.052 -1.722 203 H LYS 28 H LYS 28 -3.710 9.378 1.935 204 HA LYS 28 HA LYS 28 -4.225 12.195 1.684 205 1HB LYS 28 2HB LYS 28 -2.450 10.675 3.621 206 2HB LYS 28 3HB LYS 28 -3.021 12.320 3.839 207 1HG LYS 28 2HG LYS 28 -5.067 10.107 3.446 208 2HG LYS 28 3HG LYS 28 -4.215 10.176 4.965 209 1HD LYS 28 2HD LYS 28 -5.727 12.536 3.731 210 2HD LYS 28 3HD LYS 28 -6.478 11.333 4.795 211 1HE LYS 28 2HE LYS 28 -4.824 11.891 6.596 212 2HE LYS 28 3HE LYS 28 -4.158 13.175 5.576 213 1HZ LYS 28 1HZ LYS 28 -5.736 14.025 7.138 214 2HZ LYS 28 2HZ LYS 28 -6.313 14.234 5.612 215 3HZ LYS 28 3HZ LYS 28 -6.925 13.042 6.571 216 H HIS 29 H HIS 29 -1.305 10.137 1.198 217 HA HIS 29 HA HIS 29 0.546 12.358 1.108 218 1HB HIS 29 2HB HIS 29 0.975 9.671 -0.234 219 2HB HIS 29 3HB HIS 29 2.158 10.845 0.331 220 HD1 HIS 29 1HD HIS 29 2.610 10.800 3.072 221 HD2 HIS 29 2HD HIS 29 0.542 7.672 1.235 222 HE1 HIS 29 1HE HIS 29 2.611 8.835 4.693 223 H ARG 30 H ARG 30 0.760 13.783 -0.595 224 HA ARG 30 HA ARG 30 -0.670 13.278 -3.100 225 1HB ARG 30 2HB ARG 30 1.043 15.643 -2.206 226 2HB ARG 30 3HB ARG 30 0.017 15.587 -3.650 227 1HG ARG 30 2HG ARG 30 -1.990 15.265 -2.231 228 2HG ARG 30 3HG ARG 30 -0.986 15.343 -0.770 229 1HD ARG 30 2HD ARG 30 -0.237 17.616 -1.399 230 2HD ARG 30 3HD ARG 30 -1.285 17.555 -2.842 231 HE ARG 30 HE ARG 30 -2.878 16.961 -0.587 232 1HH1 ARG 30 2HH2 ARG 30 -1.068 19.678 -1.898 233 2HH1 ARG 30 1HH2 ARG 30 -2.057 20.916 -1.188 234 1HH2 ARG 30 2HH1 ARG 30 -4.246 18.570 0.378 235 2HH2 ARG 30 1HH1 ARG 30 -3.919 20.256 0.144 236 H GLY 31 H GLY 31 1.003 11.339 -2.950 237 1HA GLY 31 2HA GLY 31 3.022 11.825 -5.058 238 2HA GLY 31 1HA GLY 31 3.601 11.140 -3.536 239 H ILE 32 H ILE 32 1.097 9.571 -3.063 240 HA ILE 32 HA ILE 32 1.667 7.348 -4.862 241 HB ILE 32 HB ILE 32 1.304 6.946 -2.506 242 1HG1 ILE 32 2HG1 ILE 32 -1.095 5.792 -3.995 243 2HG1 ILE 32 3HG1 ILE 32 0.568 5.338 -4.414 244 1HG2 ILE 32 1HG2 ILE 32 -0.284 8.696 -1.923 245 2HG2 ILE 32 2HG2 ILE 32 -1.551 7.923 -2.899 246 3HG2 ILE 32 3HG2 ILE 32 -0.890 7.116 -1.463 247 1HD1 ILE 32 1HD1 ILE 32 -0.478 3.741 -2.874 248 2HD1 ILE 32 2HD1 ILE 32 1.004 4.481 -2.233 249 3HD1 ILE 32 3HD1 ILE 32 -0.594 4.987 -1.637 250 H LEU 33 H LEU 33 0.275 6.556 -6.416 251 HA LEU 33 HA LEU 33 -1.733 8.490 -7.483 252 1HB LEU 33 2HB LEU 33 -0.277 6.214 -8.872 253 2HB LEU 33 3HB LEU 33 -1.281 7.458 -9.617 254 HG LEU 33 HG LEU 33 1.401 7.927 -8.215 255 1HD1 LEU 33 1HD1 LEU 33 2.218 8.409 -10.484 256 2HD1 LEU 33 2HD1 LEU 33 1.635 6.742 -10.342 257 3HD1 LEU 33 3HD1 LEU 33 0.638 7.966 -11.161 258 1HD2 LEU 33 1HD2 LEU 33 -0.424 9.864 -9.708 259 2HD2 LEU 33 2HD2 LEU 33 -0.012 9.922 -7.977 260 3HD2 LEU 33 3HD2 LEU 33 1.239 10.211 -9.188 261 H TYR 34 H TYR 34 -1.300 5.035 -6.442 262 HA TYR 34 HA TYR 34 -4.224 4.824 -6.426 263 1HB TYR 34 2HB TYR 34 -3.164 4.232 -8.776 264 2HB TYR 34 3HB TYR 34 -2.487 2.837 -7.908 265 HD1 TYR 34 HD1 TYR 34 -3.643 0.848 -8.163 266 HD2 TYR 34 HD2 TYR 34 -5.779 4.596 -8.278 267 HE1 TYR 34 HE1 TYR 34 -5.731 -0.354 -8.585 268 HE2 TYR 34 HE2 TYR 34 -7.894 3.390 -8.492 269 HH TYR 34 HH TYR 34 -8.041 -0.122 -8.084 270 H CYS 35 H CYS 35 -4.903 2.946 -5.231 271 HA CYS 35 HA CYS 35 -2.921 1.240 -3.928 272 1HB CYS 35 2HB CYS 35 -2.850 3.307 -2.536 273 2HB CYS 35 3HB CYS 35 -4.573 3.073 -2.171 274 HG CYS 35 HG CYS 35 -3.143 2.187 -0.188 275 H SER 36 H SER 36 -4.196 -0.312 -5.195 276 HA SER 36 HA SER 36 -6.947 -0.792 -4.161 277 1HB SER 36 2HB SER 36 -5.501 -1.941 -6.509 278 2HB SER 36 3HB SER 36 -6.915 -2.731 -5.790 279 HG SER 36 HG SER 36 -6.959 0.024 -6.287 280 H VAL 37 H VAL 37 -6.714 -1.396 -2.121 281 HA VAL 37 HA VAL 37 -4.862 -3.497 -1.259 282 HB VAL 37 HB VAL 37 -7.004 -1.962 0.314 283 1HG1 VAL 37 1HG1 VAL 37 -4.535 -3.474 1.231 284 2HG1 VAL 37 2HG1 VAL 37 -5.664 -2.542 2.243 285 3HG1 VAL 37 3HG1 VAL 37 -6.233 -3.996 1.418 286 1HG2 VAL 37 1HG2 VAL 37 -5.416 -0.389 -0.716 287 2HG2 VAL 37 2HG2 VAL 37 -5.222 -0.497 1.016 288 3HG2 VAL 37 3HG2 VAL 37 -4.058 -1.325 -0.044 289 H ALA 38 H ALA 38 -5.578 -5.287 -2.528 290 HA ALA 38 HA ALA 38 -8.445 -6.030 -2.360 291 1HB ALA 38 1HB ALA 38 -7.482 -6.012 -4.552 292 2HB ALA 38 2HB ALA 38 -6.132 -7.032 -4.031 293 3HB ALA 38 3HB ALA 38 -7.794 -7.690 -4.067 294 H LEU 39 H LEU 39 -8.564 -6.653 -0.206 295 HA LEU 39 HA LEU 39 -7.054 -8.438 1.261 296 1HB LEU 39 2HB LEU 39 -9.039 -7.272 2.044 297 2HB LEU 39 3HB LEU 39 -10.100 -8.297 1.083 298 HG LEU 39 HG LEU 39 -8.208 -9.677 2.982 299 1HD1 LEU 39 1HD1 LEU 39 -9.738 -9.310 4.892 300 2HD1 LEU 39 2HD1 LEU 39 -8.932 -7.820 4.374 301 3HD1 LEU 39 3HD1 LEU 39 -10.635 -8.109 3.940 302 1HD2 LEU 39 1HD2 LEU 39 -9.879 -10.981 1.621 303 2HD2 LEU 39 2HD2 LEU 39 -10.166 -11.131 3.356 304 3HD2 LEU 39 3HD2 LEU 39 -11.185 -10.054 2.381 305 H ALA 40 H ALA 40 -9.125 -9.204 -1.490 306 HA ALA 40 HA ALA 40 -9.438 -11.996 -1.160 307 1HB ALA 40 1HB ALA 40 -9.093 -10.387 -3.727 308 2HB ALA 40 2HB ALA 40 -9.767 -12.024 -3.603 309 3HB ALA 40 3HB ALA 40 -10.631 -10.656 -2.866 310 H THR 41 H THR 41 -6.666 -10.087 -2.163 311 HA THR 41 HA THR 41 -5.032 -12.542 -2.579 312 HB THR 41 HB THR 41 -5.375 -11.612 -4.709 313 HG1 THR 41 1HG THR 41 -2.926 -11.045 -3.547 314 1HG2 THR 41 1HG2 THR 41 -5.116 -9.324 -5.364 315 2HG2 THR 41 2HG2 THR 41 -6.410 -9.526 -4.214 316 3HG2 THR 41 3HG2 THR 41 -4.857 -8.856 -3.655 317 H ASN 42 H ASN 42 -5.735 -10.540 -0.261 318 HA ASN 42 HA ASN 42 -4.805 -9.468 1.406 319 1HB ASN 42 2HB ASN 42 -4.122 -12.040 1.393 320 2HB ASN 42 3HB ASN 42 -2.480 -11.394 1.304 321 1HD2 ASN 42 1HD2 ASN 42 -2.424 -9.265 2.912 322 2HD2 ASN 42 2HD2 ASN 42 -3.059 -9.585 4.525 323 H LYS 43 H LYS 43 -4.141 -8.143 -1.006 324 HA LYS 43 HA LYS 43 -1.328 -7.230 -0.600 325 1HB LYS 43 2HB LYS 43 -1.033 -8.843 -2.207 326 2HB LYS 43 3HB LYS 43 -2.635 -8.648 -2.889 327 1HG LYS 43 2HG LYS 43 -0.579 -6.464 -3.315 328 2HG LYS 43 3HG LYS 43 -0.496 -7.943 -4.228 329 1HD LYS 43 2HD LYS 43 -3.122 -6.386 -4.087 330 2HD LYS 43 3HD LYS 43 -1.848 -5.916 -5.219 331 1HE LYS 43 2HE LYS 43 -3.039 -8.685 -5.028 332 2HE LYS 43 3HE LYS 43 -3.674 -7.431 -6.109 333 1HZ LYS 43 1HZ LYS 43 -1.603 -7.397 -7.231 334 2HZ LYS 43 2HZ LYS 43 -0.942 -8.523 -6.240 335 3HZ LYS 43 3HZ LYS 43 -2.188 -8.932 -7.237 336 H ALA 44 H ALA 44 -0.747 -5.283 -1.335 337 HA ALA 44 HA ALA 44 -2.879 -3.334 -2.069 338 1HB ALA 44 1HB ALA 44 -0.136 -2.843 -0.875 339 2HB ALA 44 2HB ALA 44 -1.366 -1.627 -1.275 340 3HB ALA 44 3HB ALA 44 -1.671 -2.800 0.017 341 H HIS 45 H HIS 45 -3.005 -3.342 -4.194 342 HA HIS 45 HA HIS 45 -0.612 -3.181 -6.006 343 1HB HIS 45 2HB HIS 45 -2.858 -4.316 -6.613 344 2HB HIS 45 3HB HIS 45 -3.536 -2.689 -6.548 345 HD1 HIS 45 1HD HIS 45 -2.212 -4.981 -8.975 346 HD2 HIS 45 2HD HIS 45 -1.563 -1.020 -8.117 347 HE1 HIS 45 1HE HIS 45 -1.554 -3.916 -11.203 348 H ILE 46 H ILE 46 0.453 -1.547 -4.992 349 HA ILE 46 HA ILE 46 -0.876 1.081 -4.792 350 HB ILE 46 HB ILE 46 1.885 0.041 -4.185 351 1HG1 ILE 46 2HG1 ILE 46 0.117 1.631 -2.326 352 2HG1 ILE 46 3HG1 ILE 46 -0.263 -0.071 -2.618 353 1HG2 ILE 46 1HG2 ILE 46 2.438 2.405 -3.453 354 2HG2 ILE 46 2HG2 ILE 46 2.341 2.159 -5.194 355 3HG2 ILE 46 3HG2 ILE 46 1.001 2.935 -4.346 356 1HD1 ILE 46 1HD1 ILE 46 1.264 0.245 -0.687 357 2HD1 ILE 46 2HD1 ILE 46 1.927 -0.778 -1.983 358 3HD1 ILE 46 3HD1 ILE 46 2.496 0.884 -1.819 359 H LYS 47 H LYS 47 -0.315 2.742 -6.207 360 HA LYS 47 HA LYS 47 1.681 2.088 -8.261 361 1HB LYS 47 2HB LYS 47 -0.805 3.706 -8.851 362 2HB LYS 47 3HB LYS 47 0.578 3.459 -9.917 363 1HG LYS 47 2HG LYS 47 0.149 1.096 -10.058 364 2HG LYS 47 3HG LYS 47 -1.208 1.192 -8.941 365 1HD LYS 47 2HD LYS 47 -2.574 2.434 -10.425 366 2HD LYS 47 3HD LYS 47 -1.223 2.921 -11.446 367 1HE LYS 47 2HE LYS 47 -2.174 0.048 -11.147 368 2HE LYS 47 3HE LYS 47 -2.723 1.123 -12.437 369 1HZ LYS 47 1HZ LYS 47 -0.628 1.210 -13.372 370 2HZ LYS 47 2HZ LYS 47 0.155 0.798 -12.085 371 3HZ LYS 47 3HZ LYS 47 -0.694 -0.388 -12.904 372 H TYR 48 H TYR 48 3.330 3.596 -7.846 373 HA TYR 48 HA TYR 48 2.663 6.281 -6.855 374 1HB TYR 48 2HB TYR 48 3.859 6.205 -4.874 375 2HB TYR 48 3HB TYR 48 2.971 4.694 -4.817 376 HD1 TYR 48 HD1 TYR 48 6.130 6.251 -4.478 377 HD2 TYR 48 HD2 TYR 48 4.400 2.620 -5.980 378 HE1 TYR 48 HE1 TYR 48 8.360 5.209 -4.518 379 HE2 TYR 48 HE2 TYR 48 6.676 1.658 -6.185 380 HH TYR 48 HH TYR 48 9.595 3.459 -5.434 381 H ASP 49 H ASP 49 4.074 7.735 -7.833 382 HA ASP 49 HA ASP 49 6.151 6.478 -9.554 383 1HB ASP 49 2HB ASP 49 4.848 9.174 -9.594 384 2HB ASP 49 3HB ASP 49 6.467 8.949 -10.270 385 HA PRO 50 HA PRO 50 8.657 6.708 -6.076 386 1HB PRO 50 2HB PRO 50 11.228 6.380 -7.154 387 2HB PRO 50 3HB PRO 50 10.039 5.078 -6.872 388 1HG PRO 50 2HG PRO 50 10.580 6.572 -9.433 389 2HG PRO 50 3HG PRO 50 10.347 4.817 -9.211 390 1HD PRO 50 2HD PRO 50 8.331 6.386 -10.085 391 2HD PRO 50 3HD PRO 50 8.000 5.085 -8.896 392 H GLU 51 H GLU 51 9.840 8.750 -8.748 393 HA GLU 51 HA GLU 51 11.788 10.117 -7.360 394 1HB GLU 51 2HB GLU 51 11.658 11.732 -9.234 395 2HB GLU 51 3HB GLU 51 11.772 10.048 -9.735 396 1HG GLU 51 2HG GLU 51 9.009 11.245 -9.560 397 2HG GLU 51 3HG GLU 51 10.075 11.778 -10.861 398 H ILE 52 H ILE 52 8.514 10.518 -6.657 399 HA ILE 52 HA ILE 52 8.983 13.262 -5.541 400 HB ILE 52 HB ILE 52 6.513 13.502 -5.660 401 1HG1 ILE 52 2HG1 ILE 52 6.587 11.049 -7.466 402 2HG1 ILE 52 3HG1 ILE 52 5.978 11.055 -5.799 403 1HG2 ILE 52 1HG2 ILE 52 8.100 14.463 -7.334 404 2HG2 ILE 52 2HG2 ILE 52 7.854 13.031 -8.355 405 3HG2 ILE 52 3HG2 ILE 52 6.503 14.129 -8.007 406 1HD1 ILE 52 1HD1 ILE 52 4.354 12.881 -6.511 407 2HD1 ILE 52 2HD1 ILE 52 4.851 12.558 -8.189 408 3HD1 ILE 52 3HD1 ILE 52 4.091 11.275 -7.236 409 H ILE 53 H ILE 53 8.650 10.004 -4.562 410 HA ILE 53 HA ILE 53 8.037 10.925 -1.821 411 HB ILE 53 HB ILE 53 5.827 10.661 -2.939 412 1HG1 ILE 53 2HG1 ILE 53 6.137 8.700 -0.670 413 2HG1 ILE 53 3HG1 ILE 53 6.330 10.437 -0.420 414 1HG2 ILE 53 1HG2 ILE 53 6.327 7.668 -2.733 415 2HG2 ILE 53 2HG2 ILE 53 4.896 8.478 -3.376 416 3HG2 ILE 53 3HG2 ILE 53 6.418 8.581 -4.270 417 1HD1 ILE 53 1HD1 ILE 53 3.809 9.108 -1.474 418 2HD1 ILE 53 2HD1 ILE 53 4.096 9.793 0.133 419 3HD1 ILE 53 3HD1 ILE 53 4.074 10.862 -1.273 420 H GLY 54 H GLY 54 8.760 8.126 -3.918 421 1HA GLY 54 2HA GLY 54 10.199 6.411 -3.501 422 2HA GLY 54 1HA GLY 54 10.642 7.105 -1.934 423 HA PRO 55 HA PRO 55 7.331 3.621 -1.734 424 1HB PRO 55 2HB PRO 55 8.796 1.373 -1.161 425 2HB PRO 55 3HB PRO 55 8.459 1.935 -2.819 426 1HG PRO 55 2HG PRO 55 10.972 2.368 -1.197 427 2HG PRO 55 3HG PRO 55 10.830 1.878 -2.911 428 1HD PRO 55 2HD PRO 55 11.311 4.473 -2.142 429 2HD PRO 55 3HD PRO 55 10.365 4.072 -3.596 430 H ARG 56 H ARG 56 10.267 4.170 0.191 431 HA ARG 56 HA ARG 56 9.590 2.888 2.516 432 1HB ARG 56 2HB ARG 56 11.784 4.073 1.870 433 2HB ARG 56 3HB ARG 56 11.050 5.537 2.557 434 1HG ARG 56 2HG ARG 56 10.604 4.095 4.670 435 2HG ARG 56 3HG ARG 56 11.650 2.877 3.951 436 1HD ARG 56 2HD ARG 56 12.409 5.765 4.578 437 2HD ARG 56 3HD ARG 56 12.786 4.349 5.588 438 HE ARG 56 HE ARG 56 13.778 3.849 2.984 439 1HH1 ARG 56 2HH2 ARG 56 14.380 5.975 5.719 440 2HH1 ARG 56 1HH2 ARG 56 16.062 6.243 5.378 441 1HH2 ARG 56 2HH1 ARG 56 16.029 4.163 2.475 442 2HH2 ARG 56 1HH1 ARG 56 17.021 5.167 3.480 443 H ASP 57 H ASP 57 8.439 6.099 1.476 444 HA ASP 57 HA ASP 57 7.258 6.954 3.948 445 1HB ASP 57 2HB ASP 57 7.535 8.541 2.164 446 2HB ASP 57 3HB ASP 57 6.654 7.495 1.038 447 H ILE 58 H ILE 58 5.761 5.396 1.080 448 HA ILE 58 HA ILE 58 3.284 4.804 2.240 449 HB ILE 58 HB ILE 58 4.789 3.168 0.120 450 1HG1 ILE 58 2HG1 ILE 58 3.089 4.094 -1.388 451 2HG1 ILE 58 3HG1 ILE 58 2.487 5.159 -0.102 452 1HG2 ILE 58 1HG2 ILE 58 2.156 2.735 1.469 453 2HG2 ILE 58 2HG2 ILE 58 2.344 2.342 -0.240 454 3HG2 ILE 58 3HG2 ILE 58 3.388 1.568 0.954 455 1HD1 ILE 58 1HD1 ILE 58 3.969 6.180 -1.862 456 2HD1 ILE 58 2HD1 ILE 58 4.556 6.443 -0.215 457 3HD1 ILE 58 3HD1 ILE 58 5.314 5.200 -1.252 458 H ILE 59 H ILE 59 6.251 2.824 2.260 459 HA ILE 59 HA ILE 59 5.206 0.652 3.776 460 HB ILE 59 HB ILE 59 8.038 1.745 3.825 461 1HG1 ILE 59 2HG1 ILE 59 7.338 1.043 1.558 462 2HG1 ILE 59 3HG1 ILE 59 8.605 0.027 2.226 463 1HG2 ILE 59 1HG2 ILE 59 7.795 0.381 5.773 464 2HG2 ILE 59 2HG2 ILE 59 6.926 -0.875 4.876 465 3HG2 ILE 59 3HG2 ILE 59 8.652 -0.579 4.566 466 1HD1 ILE 59 1HD1 ILE 59 6.930 -1.733 2.720 467 2HD1 ILE 59 2HD1 ILE 59 5.641 -0.683 2.071 468 3HD1 ILE 59 3HD1 ILE 59 6.928 -1.267 1.014 469 H HIS 60 H HIS 60 6.839 3.600 5.058 470 HA HIS 60 HA HIS 60 6.651 3.044 7.789 471 1HB HIS 60 2HB HIS 60 6.226 5.752 6.440 472 2HB HIS 60 3HB HIS 60 6.515 5.484 8.152 473 HD1 HIS 60 1HD HIS 60 8.371 7.029 5.836 474 HD2 HIS 60 2HD HIS 60 9.001 3.608 8.188 475 HE1 HIS 60 1HE HIS 60 10.896 6.834 6.164 476 H THR 61 H THR 61 4.210 4.759 5.707 477 HA THR 61 HA THR 61 2.319 5.068 7.723 478 HB THR 61 HB THR 61 1.665 4.505 4.816 479 HG1 THR 61 1HG THR 61 2.242 6.641 4.454 480 1HG2 THR 61 1HG2 THR 61 -0.013 6.359 5.264 481 2HG2 THR 61 2HG2 THR 61 -0.303 4.916 6.255 482 3HG2 THR 61 3HG2 THR 61 0.477 6.347 6.962 483 H ILE 62 H ILE 62 2.674 2.277 5.448 484 HA ILE 62 HA ILE 62 0.369 0.899 6.345 485 HB ILE 62 HB ILE 62 2.906 -0.107 5.021 486 1HG1 ILE 62 2HG1 ILE 62 0.074 0.453 3.998 487 2HG1 ILE 62 3HG1 ILE 62 1.455 1.520 3.768 488 1HG2 ILE 62 1HG2 ILE 62 1.865 -1.999 6.178 489 2HG2 ILE 62 2HG2 ILE 62 0.276 -1.574 5.482 490 3HG2 ILE 62 3HG2 ILE 62 1.596 -2.161 4.459 491 1HD1 ILE 62 1HD1 ILE 62 1.054 -1.223 2.562 492 2HD1 ILE 62 2HD1 ILE 62 1.206 0.330 1.745 493 3HD1 ILE 62 3HD1 ILE 62 2.624 -0.374 2.552 494 H GLU 63 H GLU 63 3.764 0.571 7.579 495 HA GLU 63 HA GLU 63 2.876 -1.313 9.629 496 1HB GLU 63 2HB GLU 63 5.078 -1.127 10.591 497 2HB GLU 63 3HB GLU 63 5.066 -1.523 8.880 498 1HG GLU 63 2HG GLU 63 6.846 -0.088 9.055 499 2HG GLU 63 3HG GLU 63 5.587 0.972 8.436 500 H SER 64 H SER 64 3.498 2.166 9.651 501 HA SER 64 HA SER 64 2.923 2.497 12.388 502 1HB SER 64 2HB SER 64 4.177 4.119 11.077 503 2HB SER 64 3HB SER 64 2.730 4.529 10.141 504 HG SER 64 HG SER 64 1.859 4.863 12.479 505 H LEU 65 H LEU 65 0.648 1.982 9.756 506 HA LEU 65 HA LEU 65 -1.636 2.540 11.550 507 1HB LEU 65 2HB LEU 65 -1.358 0.977 8.948 508 2HB LEU 65 3HB LEU 65 -2.762 0.800 9.999 509 HG LEU 65 HG LEU 65 -3.410 2.258 8.336 510 1HD1 LEU 65 1HD1 LEU 65 -4.014 2.880 10.726 511 2HD1 LEU 65 2HD1 LEU 65 -2.791 4.166 10.615 512 3HD1 LEU 65 3HD1 LEU 65 -4.167 4.171 9.508 513 1HD2 LEU 65 1HD2 LEU 65 -0.998 4.016 8.892 514 2HD2 LEU 65 2HD2 LEU 65 -1.268 2.978 7.459 515 3HD2 LEU 65 3HD2 LEU 65 -2.323 4.364 7.770 516 H GLY 66 H GLY 66 -0.897 -0.715 10.273 517 1HA GLY 66 2HA GLY 66 0.178 -1.567 12.812 518 2HA GLY 66 1HA GLY 66 -1.490 -2.125 12.616 519 H PHE 67 H PHE 67 0.584 -1.893 9.690 520 HA PHE 67 HA PHE 67 0.245 -4.871 9.583 521 1HB PHE 67 2HB PHE 67 0.142 -2.948 7.292 522 2HB PHE 67 3HB PHE 67 -0.455 -4.600 7.377 523 HD1 PHE 67 1HD PHE 67 -1.491 -1.249 7.258 524 HD2 PHE 67 2HD PHE 67 -2.170 -4.781 9.632 525 HE1 PHE 67 1HE PHE 67 -3.747 -0.436 7.828 526 HE2 PHE 67 2HE PHE 67 -4.430 -3.957 10.206 527 HZ PHE 67 HZ PHE 67 -5.253 -1.831 9.217 528 H GLU 68 H GLU 68 1.801 -6.177 8.721 529 HA GLU 68 HA GLU 68 4.467 -5.024 8.205 530 1HB GLU 68 2HB GLU 68 3.298 -7.830 8.054 531 2HB GLU 68 3HB GLU 68 4.985 -7.458 7.690 532 1HG GLU 68 2HG GLU 68 3.599 -6.967 10.371 533 2HG GLU 68 3HG GLU 68 4.604 -8.367 9.983 534 H ALA 69 H ALA 69 5.316 -4.787 6.152 535 HA ALA 69 HA ALA 69 3.484 -5.200 3.806 536 1HB ALA 69 1HB ALA 69 3.820 -2.814 4.412 537 2HB ALA 69 2HB ALA 69 5.575 -3.042 4.317 538 3HB ALA 69 3HB ALA 69 4.578 -3.207 2.856 539 H SER 70 H SER 70 4.421 -6.189 1.960 540 HA SER 70 HA SER 70 7.381 -6.454 1.841 541 1HB SER 70 2HB SER 70 5.419 -8.728 2.208 542 2HB SER 70 3HB SER 70 6.948 -8.978 1.357 543 HG SER 70 HG SER 70 6.982 -7.626 3.829 544 H LEU 71 H LEU 71 7.825 -5.653 -0.115 545 HA LEU 71 HA LEU 71 6.136 -5.510 -2.406 546 1HB LEU 71 2HB LEU 71 9.144 -5.529 -1.990 547 2HB LEU 71 3HB LEU 71 8.417 -5.466 -3.595 548 HG LEU 71 HG LEU 71 7.264 -3.396 -3.102 549 1HD1 LEU 71 1HD1 LEU 71 8.633 -3.504 -0.375 550 2HD1 LEU 71 2HD1 LEU 71 7.854 -2.068 -1.068 551 3HD1 LEU 71 3HD1 LEU 71 6.879 -3.486 -0.686 552 1HD2 LEU 71 1HD2 LEU 71 9.530 -3.342 -4.055 553 2HD2 LEU 71 2HD2 LEU 71 9.277 -1.946 -2.991 554 3HD2 LEU 71 3HD2 LEU 71 10.235 -3.327 -2.424 555 H VAL 72 H VAL 72 5.320 -7.136 -3.615 556 HA VAL 72 HA VAL 72 6.849 -9.702 -3.812 557 HB VAL 72 HB VAL 72 4.758 -10.713 -4.575 558 1HG1 VAL 72 1HG1 VAL 72 3.798 -10.924 -2.347 559 2HG1 VAL 72 2HG1 VAL 72 5.563 -10.854 -2.231 560 3HG1 VAL 72 3HG1 VAL 72 4.598 -9.416 -1.841 561 1HG2 VAL 72 1HG2 VAL 72 3.356 -8.184 -3.605 562 2HG2 VAL 72 2HG2 VAL 72 3.477 -8.696 -5.304 563 3HG2 VAL 72 3HG2 VAL 72 2.596 -9.686 -4.140 564 H LYS 73 H LYS 73 5.188 -7.158 -5.663 565 HA LYS 73 HA LYS 73 5.140 -6.679 -7.864 566 1HB LYS 73 2HB LYS 73 7.501 -6.084 -6.844 567 2HB LYS 73 3HB LYS 73 8.113 -7.212 -8.036 568 1HG LYS 73 2HG LYS 73 6.374 -4.744 -8.495 569 2HG LYS 73 3HG LYS 73 8.099 -4.840 -8.782 570 1HD LYS 73 2HD LYS 73 5.980 -6.386 -10.380 571 2HD LYS 73 3HD LYS 73 6.717 -4.857 -10.813 572 1HE LYS 73 2HE LYS 73 8.097 -6.150 -12.040 573 2HE LYS 73 3HE LYS 73 9.024 -6.197 -10.538 574 1HZ LYS 73 1HZ LYS 73 7.107 -8.241 -11.498 575 2HZ LYS 73 2HZ LYS 73 8.743 -8.353 -11.545 576 3HZ LYS 73 3HZ LYS 73 7.936 -8.364 -10.104 577 H ILE 74 H ILE 74 3.846 -8.444 -8.579 578 HA ILE 74 HA ILE 74 4.763 -10.978 -9.355 579 HB ILE 74 HB ILE 74 2.417 -9.238 -10.139 580 1HG1 ILE 74 2HG1 ILE 74 1.118 -11.007 -9.058 581 2HG1 ILE 74 3HG1 ILE 74 2.564 -11.998 -8.832 582 1HG2 ILE 74 1HG2 ILE 74 1.420 -11.129 -11.384 583 2HG2 ILE 74 2HG2 ILE 74 2.827 -10.468 -12.210 584 3HG2 ILE 74 3HG2 ILE 74 2.963 -11.997 -11.306 585 1HD1 ILE 74 1HD1 ILE 74 2.132 -9.276 -7.532 586 2HD1 ILE 74 2HD1 ILE 74 1.758 -10.833 -6.770 587 3HD1 ILE 74 3HD1 ILE 74 3.432 -10.445 -7.175 588 H GLU 75 H GLU 75 5.263 -11.932 -11.379 589 HA GLU 75 HA GLU 75 5.523 -10.583 -13.810 590 1HB GLU 75 2HB GLU 75 7.993 -10.922 -12.151 591 2HB GLU 75 3HB GLU 75 8.057 -11.767 -13.696 592 1HG GLU 75 2HG GLU 75 7.646 -9.795 -14.965 593 2HG GLU 75 3HG GLU 75 7.300 -8.826 -13.536 Start of MODEL 26 1 1H MET 1 H1 MET 1 9.922 6.990 -12.653 2 2H MET 1 H2 MET 1 9.280 8.535 -12.859 3 3H MET 1 H3 MET 1 8.531 7.519 -11.918 4 HA MET 1 HA MET 1 7.341 6.877 -13.744 5 1HB MET 1 2HB MET 1 7.998 7.597 -16.021 6 2HB MET 1 3HB MET 1 7.979 8.941 -14.876 7 1HG MET 1 2HG MET 1 10.395 8.999 -14.772 8 2HG MET 1 3HG MET 1 10.536 7.457 -15.624 9 1HE MET 1 1HE MET 1 9.634 11.251 -15.963 10 2HE MET 1 2HE MET 1 9.296 11.376 -17.706 11 3HE MET 1 3HE MET 1 8.169 10.501 -16.649 12 H GLY 2 H GLY 2 7.710 5.306 -15.810 13 1HA GLY 2 2HA GLY 2 8.593 3.287 -16.570 14 2HA GLY 2 1HA GLY 2 10.013 3.472 -15.520 15 H ASP 3 H ASP 3 9.364 3.606 -13.103 16 HA ASP 3 HA ASP 3 7.442 1.673 -12.091 17 1HB ASP 3 2HB ASP 3 8.719 4.164 -10.926 18 2HB ASP 3 3HB ASP 3 7.767 2.997 -9.984 19 H GLY 4 H GLY 4 5.779 3.046 -10.456 20 1HA GLY 4 2HA GLY 4 3.913 4.789 -11.257 21 2HA GLY 4 1HA GLY 4 3.825 3.628 -12.588 22 H VAL 5 H VAL 5 4.446 1.250 -11.163 23 HA VAL 5 HA VAL 5 1.959 0.838 -9.563 24 HB VAL 5 HB VAL 5 2.104 -1.502 -10.260 25 1HG1 VAL 5 1HG1 VAL 5 0.664 0.083 -11.474 26 2HG1 VAL 5 2HG1 VAL 5 1.991 0.451 -12.598 27 3HG1 VAL 5 3HG1 VAL 5 1.291 -1.179 -12.545 28 1HG2 VAL 5 1HG2 VAL 5 3.510 -2.195 -12.141 29 2HG2 VAL 5 2HG2 VAL 5 4.296 -0.611 -12.194 30 3HG2 VAL 5 3HG2 VAL 5 4.525 -1.678 -10.792 31 H LEU 6 H LEU 6 2.097 -0.338 -7.628 32 HA LEU 6 HA LEU 6 4.697 -1.371 -6.739 33 1HB LEU 6 2HB LEU 6 4.618 0.976 -6.032 34 2HB LEU 6 3HB LEU 6 3.139 0.698 -5.116 35 HG LEU 6 HG LEU 6 5.795 -0.761 -4.649 36 1HD1 LEU 6 1HD1 LEU 6 6.141 1.623 -4.331 37 2HD1 LEU 6 2HD1 LEU 6 4.692 1.731 -3.310 38 3HD1 LEU 6 3HD1 LEU 6 6.114 0.820 -2.757 39 1HD2 LEU 6 1HD2 LEU 6 3.259 -0.498 -2.965 40 2HD2 LEU 6 2HD2 LEU 6 4.027 -2.000 -3.541 41 3HD2 LEU 6 3HD2 LEU 6 4.819 -1.025 -2.316 42 H GLU 7 H GLU 7 4.082 -3.381 -6.599 43 HA GLU 7 HA GLU 7 1.521 -4.120 -5.329 44 1HB GLU 7 2HB GLU 7 2.835 -5.083 -7.581 45 2HB GLU 7 3HB GLU 7 3.353 -6.228 -6.338 46 1HG GLU 7 2HG GLU 7 1.354 -7.083 -7.227 47 2HG GLU 7 3HG GLU 7 0.899 -6.389 -5.649 48 H LEU 8 H LEU 8 1.616 -4.426 -3.110 49 HA LEU 8 HA LEU 8 3.898 -6.078 -2.175 50 1HB LEU 8 2HB LEU 8 4.132 -4.881 -0.084 51 2HB LEU 8 3HB LEU 8 4.601 -3.970 -1.520 52 HG LEU 8 HG LEU 8 2.566 -2.611 -1.405 53 1HD1 LEU 8 1HD1 LEU 8 0.999 -3.947 -0.143 54 2HD1 LEU 8 2HD1 LEU 8 2.160 -4.165 1.183 55 3HD1 LEU 8 3HD1 LEU 8 1.418 -2.579 0.871 56 1HD2 LEU 8 1HD2 LEU 8 4.818 -2.024 -0.321 57 2HD2 LEU 8 2HD2 LEU 8 3.407 -1.232 0.391 58 3HD2 LEU 8 3HD2 LEU 8 4.155 -2.623 1.203 59 H VAL 9 H VAL 9 3.453 -7.679 -0.757 60 HA VAL 9 HA VAL 9 0.602 -8.278 -0.225 61 HB VAL 9 HB VAL 9 3.188 -9.705 0.391 62 1HG1 VAL 9 1HG1 VAL 9 1.797 -11.562 1.266 63 2HG1 VAL 9 2HG1 VAL 9 1.697 -10.135 2.301 64 3HG1 VAL 9 3HG1 VAL 9 0.364 -10.522 1.189 65 1HG2 VAL 9 1HG2 VAL 9 0.776 -10.478 -1.305 66 2HG2 VAL 9 2HG2 VAL 9 2.286 -9.807 -1.948 67 3HG2 VAL 9 3HG2 VAL 9 2.292 -11.385 -1.140 68 H VAL 10 H VAL 10 -0.380 -7.867 1.746 69 HA VAL 10 HA VAL 10 1.202 -6.406 3.831 70 HB VAL 10 HB VAL 10 -1.732 -6.177 3.104 71 1HG1 VAL 10 1HG1 VAL 10 -1.652 -4.279 4.789 72 2HG1 VAL 10 2HG1 VAL 10 -1.320 -5.843 5.550 73 3HG1 VAL 10 3HG1 VAL 10 0.019 -4.747 5.148 74 1HG2 VAL 10 1HG2 VAL 10 -0.287 -5.020 1.471 75 2HG2 VAL 10 2HG2 VAL 10 -1.156 -3.849 2.477 76 3HG2 VAL 10 3HG2 VAL 10 0.552 -4.194 2.819 77 H ARG 11 H ARG 11 1.418 -7.558 5.668 78 HA ARG 11 HA ARG 11 0.244 -10.229 5.663 79 1HB ARG 11 2HB ARG 11 2.207 -8.908 7.532 80 2HB ARG 11 3HB ARG 11 1.940 -10.645 7.375 81 1HG ARG 11 2HG ARG 11 2.941 -10.669 5.161 82 2HG ARG 11 3HG ARG 11 3.003 -8.898 5.079 83 1HD ARG 11 2HD ARG 11 4.437 -8.841 7.087 84 2HD ARG 11 3HD ARG 11 4.460 -10.610 7.099 85 HE ARG 11 HE ARG 11 5.362 -9.713 4.529 86 1HH1 ARG 11 2HH2 ARG 11 6.424 -9.485 7.922 87 2HH1 ARG 11 1HH2 ARG 11 8.088 -9.224 7.515 88 1HH2 ARG 11 2HH1 ARG 11 7.445 -9.355 3.998 89 2HH2 ARG 11 1HH1 ARG 11 8.712 -9.106 5.186 90 H GLY 12 H GLY 12 -1.918 -8.972 6.057 91 1HA GLY 12 2HA GLY 12 -2.917 -9.932 8.486 92 2HA GLY 12 1HA GLY 12 -2.564 -8.224 8.796 93 H MET 13 H MET 13 -3.987 -6.704 8.067 94 HA MET 13 HA MET 13 -5.879 -5.790 7.315 95 1HB MET 13 2HB MET 13 -5.643 -7.596 4.899 96 2HB MET 13 3HB MET 13 -6.432 -6.012 5.036 97 1HG MET 13 2HG MET 13 -4.048 -5.186 5.817 98 2HG MET 13 3HG MET 13 -3.490 -6.687 5.071 99 1HE MET 13 1HE MET 13 -4.560 -6.202 1.371 100 2HE MET 13 2HE MET 13 -4.013 -7.318 2.651 101 3HE MET 13 3HE MET 13 -5.715 -6.762 2.609 102 H THR 14 H THR 14 -6.806 -6.998 9.227 103 HA THR 14 HA THR 14 -8.054 -9.480 8.987 104 HB THR 14 HB THR 14 -9.079 -8.610 11.232 105 HG1 THR 14 1HG THR 14 -8.944 -6.427 11.003 106 1HG2 THR 14 1HG2 THR 14 -6.052 -8.528 10.795 107 2HG2 THR 14 2HG2 THR 14 -6.883 -8.716 12.351 108 3HG2 THR 14 3HG2 THR 14 -7.024 -9.980 11.117 109 H CYS 15 H CYS 15 -9.370 -6.352 8.006 110 HA CYS 15 HA CYS 15 -12.031 -7.423 7.521 111 1HB CYS 15 2HB CYS 15 -12.185 -7.275 9.950 112 2HB CYS 15 3HB CYS 15 -11.418 -5.681 9.955 113 HG CYS 15 HG CYS 15 -14.318 -6.574 8.655 114 H ALA 16 H ALA 16 -13.365 -5.844 6.517 115 HA ALA 16 HA ALA 16 -12.570 -4.147 4.598 116 1HB ALA 16 1HB ALA 16 -14.879 -4.803 5.029 117 2HB ALA 16 2HB ALA 16 -14.931 -3.761 6.468 118 3HB ALA 16 3HB ALA 16 -14.747 -3.042 4.853 119 H SER 17 H SER 17 -12.946 -3.226 8.009 120 HA SER 17 HA SER 17 -12.212 -0.510 7.969 121 1HB SER 17 2HB SER 17 -11.416 -1.015 10.299 122 2HB SER 17 3HB SER 17 -13.033 -1.647 9.929 123 HG SER 17 HG SER 17 -11.719 -3.644 9.275 124 H CYS 18 H CYS 18 -9.891 -2.976 9.075 125 HA CYS 18 HA CYS 18 -7.539 -1.633 8.761 126 1HB CYS 18 2HB CYS 18 -8.209 -4.593 8.550 127 2HB CYS 18 3HB CYS 18 -6.545 -3.992 8.467 128 HG CYS 18 HG CYS 18 -7.082 -4.918 10.869 129 H VAL 19 H VAL 19 -9.255 -3.516 6.305 130 HA VAL 19 HA VAL 19 -7.489 -3.204 4.108 131 HB VAL 19 HB VAL 19 -10.451 -3.520 4.470 132 1HG1 VAL 19 1HG1 VAL 19 -10.338 -2.252 2.367 133 2HG1 VAL 19 2HG1 VAL 19 -9.148 -3.418 1.741 134 3HG1 VAL 19 3HG1 VAL 19 -10.800 -3.928 2.116 135 1HG2 VAL 19 1HG2 VAL 19 -8.965 -5.424 4.919 136 2HG2 VAL 19 2HG2 VAL 19 -10.044 -5.706 3.540 137 3HG2 VAL 19 3HG2 VAL 19 -8.334 -5.307 3.257 138 H HIS 20 H HIS 20 -10.446 -1.164 4.671 139 HA HIS 20 HA HIS 20 -9.495 0.533 2.700 140 1HB HIS 20 2HB HIS 20 -11.377 1.830 2.807 141 2HB HIS 20 3HB HIS 20 -11.825 0.143 3.023 142 HD1 HIS 20 1HD HIS 20 -14.047 1.863 3.805 143 HD2 HIS 20 2HD HIS 20 -10.683 1.593 6.238 144 HE1 HIS 20 1HE HIS 20 -14.696 2.852 6.071 145 H LYS 21 H LYS 21 -8.695 0.486 6.022 146 HA LYS 21 HA LYS 21 -8.088 3.178 6.530 147 1HB LYS 21 2HB LYS 21 -8.030 1.451 8.258 148 2HB LYS 21 3HB LYS 21 -6.670 0.642 7.454 149 1HG LYS 21 2HG LYS 21 -5.192 2.514 7.913 150 2HG LYS 21 3HG LYS 21 -6.538 3.497 8.501 151 1HD LYS 21 2HD LYS 21 -5.155 2.658 10.342 152 2HD LYS 21 3HD LYS 21 -6.820 2.064 10.451 153 1HE LYS 21 2HE LYS 21 -6.177 -0.120 9.620 154 2HE LYS 21 3HE LYS 21 -4.544 0.433 9.220 155 1HZ LYS 21 1HZ LYS 21 -5.617 0.277 11.964 156 2HZ LYS 21 2HZ LYS 21 -4.671 -0.862 11.249 157 3HZ LYS 21 3HZ LYS 21 -4.058 0.618 11.531 158 H ILE 22 H ILE 22 -6.301 0.649 4.751 159 HA ILE 22 HA ILE 22 -3.803 2.052 4.594 160 HB ILE 22 HB ILE 22 -4.990 -0.174 2.899 161 1HG1 ILE 22 2HG1 ILE 22 -2.892 -0.319 5.106 162 2HG1 ILE 22 3HG1 ILE 22 -4.629 -0.582 5.390 163 1HG2 ILE 22 1HG2 ILE 22 -2.154 0.927 3.004 164 2HG2 ILE 22 2HG2 ILE 22 -2.603 -0.597 2.213 165 3HG2 ILE 22 3HG2 ILE 22 -3.235 0.928 1.599 166 1HD1 ILE 22 1HD1 ILE 22 -4.767 -2.378 3.895 167 2HD1 ILE 22 2HD1 ILE 22 -2.996 -2.323 3.602 168 3HD1 ILE 22 3HD1 ILE 22 -3.638 -2.679 5.222 169 H GLU 23 H GLU 23 -6.218 1.438 2.010 170 HA GLU 23 HA GLU 23 -5.330 3.312 0.163 171 1HB GLU 23 2HB GLU 23 -7.839 3.341 -0.530 172 2HB GLU 23 3HB GLU 23 -6.914 1.826 -0.637 173 1HG GLU 23 2HG GLU 23 -8.480 0.801 0.482 174 2HG GLU 23 3HG GLU 23 -8.101 1.806 1.882 175 H SER 24 H SER 24 -8.223 3.991 2.216 176 HA SER 24 HA SER 24 -8.413 6.616 1.829 177 1HB SER 24 2HB SER 24 -9.902 5.243 3.243 178 2HB SER 24 3HB SER 24 -8.735 5.310 4.568 179 HG SER 24 HG SER 24 -8.976 7.671 4.403 180 H SER 25 H SER 25 -6.062 5.210 4.217 181 HA SER 25 HA SER 25 -5.011 7.771 5.013 182 1HB SER 25 2HB SER 25 -4.668 5.712 6.318 183 2HB SER 25 3HB SER 25 -3.638 5.053 5.032 184 HG SER 25 HG SER 25 -2.202 6.776 5.415 185 H LEU 26 H LEU 26 -3.626 5.413 2.601 186 HA LEU 26 HA LEU 26 -1.520 7.223 2.093 187 1HB LEU 26 2HB LEU 26 -2.584 5.150 0.164 188 2HB LEU 26 3HB LEU 26 -0.988 5.943 0.109 189 HG LEU 26 HG LEU 26 -1.880 4.090 2.333 190 1HD1 LEU 26 1HD1 LEU 26 -0.367 2.466 1.276 191 2HD1 LEU 26 2HD1 LEU 26 -1.703 2.903 0.198 192 3HD1 LEU 26 3HD1 LEU 26 -0.091 3.605 -0.065 193 1HD2 LEU 26 1HD2 LEU 26 0.842 5.277 1.646 194 2HD2 LEU 26 2HD2 LEU 26 -0.159 5.688 3.056 195 3HD2 LEU 26 3HD2 LEU 26 0.525 4.064 2.904 196 H THR 27 H THR 27 -4.764 7.049 0.695 197 HA THR 27 HA THR 27 -4.356 8.718 -1.531 198 HB THR 27 HB THR 27 -6.840 8.549 0.208 199 HG1 THR 27 1HG THR 27 -6.128 6.511 -0.534 200 1HG2 THR 27 1HG2 THR 27 -6.411 9.273 -2.736 201 2HG2 THR 27 2HG2 THR 27 -7.989 8.983 -1.979 202 3HG2 THR 27 3HG2 THR 27 -7.019 10.373 -1.469 203 H LYS 28 H LYS 28 -4.120 9.647 1.852 204 HA LYS 28 HA LYS 28 -4.555 12.437 1.534 205 1HB LYS 28 2HB LYS 28 -3.415 12.733 3.559 206 2HB LYS 28 3HB LYS 28 -4.345 11.245 3.687 207 1HG LYS 28 2HG LYS 28 -2.460 10.350 4.538 208 2HG LYS 28 3HG LYS 28 -1.915 10.237 2.878 209 1HD LYS 28 2HD LYS 28 -0.133 11.211 4.033 210 2HD LYS 28 3HD LYS 28 -0.881 12.581 3.191 211 1HE LYS 28 2HE LYS 28 -2.090 13.186 5.320 212 2HE LYS 28 3HE LYS 28 -1.368 11.783 6.118 213 1HZ LYS 28 1HZ LYS 28 0.119 14.088 5.046 214 2HZ LYS 28 2HZ LYS 28 -0.207 13.793 6.629 215 3HZ LYS 28 3HZ LYS 28 0.786 12.782 5.803 216 H HIS 29 H HIS 29 -1.770 10.400 0.637 217 HA HIS 29 HA HIS 29 0.122 12.582 0.401 218 1HB HIS 29 2HB HIS 29 0.170 9.902 -1.016 219 2HB HIS 29 3HB HIS 29 1.532 10.978 -0.719 220 HD1 HIS 29 1HD HIS 29 2.377 11.024 1.982 221 HD2 HIS 29 2HD HIS 29 -0.022 7.907 0.551 222 HE1 HIS 29 1HE HIS 29 2.693 8.997 3.544 223 H ARG 30 H ARG 30 1.097 13.163 -1.743 224 HA ARG 30 HA ARG 30 -0.680 12.782 -4.096 225 1HB ARG 30 2HB ARG 30 0.790 15.366 -3.379 226 2HB ARG 30 3HB ARG 30 -0.130 15.084 -4.859 227 1HG ARG 30 2HG ARG 30 -1.291 15.185 -2.043 228 2HG ARG 30 3HG ARG 30 -1.345 16.474 -3.242 229 1HD ARG 30 2HD ARG 30 -3.211 15.613 -4.195 230 2HD ARG 30 3HD ARG 30 -2.393 14.116 -4.519 231 HE ARG 30 HE ARG 30 -3.101 13.135 -2.525 232 1HH1 ARG 30 2HH2 ARG 30 -4.149 16.494 -2.619 233 2HH1 ARG 30 1HH2 ARG 30 -5.482 16.291 -1.522 234 1HH2 ARG 30 2HH1 ARG 30 -4.886 12.801 -1.115 235 2HH2 ARG 30 1HH1 ARG 30 -5.873 14.134 -0.590 236 H GLY 31 H GLY 31 1.376 11.150 -3.291 237 1HA GLY 31 2HA GLY 31 2.848 11.263 -5.862 238 2HA GLY 31 1HA GLY 31 3.770 10.965 -4.376 239 H ILE 32 H ILE 32 0.465 9.928 -4.536 240 HA ILE 32 HA ILE 32 1.128 7.194 -5.288 241 HB ILE 32 HB ILE 32 -0.269 6.168 -3.773 242 1HG1 ILE 32 2HG1 ILE 32 -1.413 7.386 -1.932 243 2HG1 ILE 32 3HG1 ILE 32 -1.262 8.883 -2.871 244 1HG2 ILE 32 1HG2 ILE 32 1.949 6.698 -2.957 245 2HG2 ILE 32 2HG2 ILE 32 1.330 8.168 -2.170 246 3HG2 ILE 32 3HG2 ILE 32 0.768 6.568 -1.650 247 1HD1 ILE 32 1HD1 ILE 32 -3.425 7.285 -2.984 248 2HD1 ILE 32 2HD1 ILE 32 -2.871 8.112 -4.437 249 3HD1 ILE 32 3HD1 ILE 32 -2.455 6.406 -4.168 250 H LEU 33 H LEU 33 -0.521 6.385 -6.618 251 HA LEU 33 HA LEU 33 -2.246 8.473 -7.902 252 1HB LEU 33 2HB LEU 33 -1.053 5.919 -9.024 253 2HB LEU 33 3HB LEU 33 -2.003 7.108 -9.923 254 HG LEU 33 HG LEU 33 0.740 7.607 -8.662 255 1HD1 LEU 33 1HD1 LEU 33 -0.085 7.150 -11.559 256 2HD1 LEU 33 2HD1 LEU 33 1.541 7.573 -10.989 257 3HD1 LEU 33 3HD1 LEU 33 0.833 6.018 -10.535 258 1HD2 LEU 33 1HD2 LEU 33 0.687 9.672 -10.075 259 2HD2 LEU 33 2HD2 LEU 33 -1.011 9.342 -10.470 260 3HD2 LEU 33 3HD2 LEU 33 -0.527 9.701 -8.795 261 H TYR 34 H TYR 34 -2.180 5.148 -6.532 262 HA TYR 34 HA TYR 34 -5.005 5.166 -6.291 263 1HB TYR 34 2HB TYR 34 -4.619 4.498 -8.778 264 2HB TYR 34 3HB TYR 34 -3.938 2.998 -8.141 265 HD1 TYR 34 HD1 TYR 34 -6.977 5.152 -8.330 266 HD2 TYR 34 HD2 TYR 34 -5.412 1.308 -7.171 267 HE1 TYR 34 HE1 TYR 34 -9.238 4.446 -7.591 268 HE2 TYR 34 HE2 TYR 34 -7.571 0.752 -6.149 269 HH TYR 34 HH TYR 34 -9.791 1.348 -5.898 270 H CYS 35 H CYS 35 -5.718 3.142 -5.134 271 HA CYS 35 HA CYS 35 -3.539 1.615 -3.808 272 1HB CYS 35 2HB CYS 35 -5.598 3.294 -2.322 273 2HB CYS 35 3HB CYS 35 -4.472 2.105 -1.616 274 HG CYS 35 HG CYS 35 -2.427 3.343 -2.995 275 H SER 36 H SER 36 -4.498 -0.030 -5.290 276 HA SER 36 HA SER 36 -7.191 -1.004 -4.568 277 1HB SER 36 2HB SER 36 -5.182 -1.608 -6.695 278 2HB SER 36 3HB SER 36 -6.193 -2.962 -6.148 279 HG SER 36 HG SER 36 -7.121 -1.819 -7.877 280 H VAL 37 H VAL 37 -6.759 -1.353 -2.243 281 HA VAL 37 HA VAL 37 -4.936 -3.601 -1.714 282 HB VAL 37 HB VAL 37 -4.913 -1.461 -0.365 283 1HG1 VAL 37 1HG1 VAL 37 -7.119 -2.797 1.222 284 2HG1 VAL 37 2HG1 VAL 37 -6.375 -1.227 1.490 285 3HG1 VAL 37 3HG1 VAL 37 -7.458 -1.446 0.099 286 1HG2 VAL 37 1HG2 VAL 37 -4.313 -2.696 1.637 287 2HG2 VAL 37 2HG2 VAL 37 -5.218 -4.110 1.045 288 3HG2 VAL 37 3HG2 VAL 37 -3.740 -3.582 0.220 289 H ALA 38 H ALA 38 -5.601 -5.508 -2.178 290 HA ALA 38 HA ALA 38 -8.509 -6.151 -1.917 291 1HB ALA 38 1HB ALA 38 -7.708 -6.232 -4.179 292 2HB ALA 38 2HB ALA 38 -6.317 -7.224 -3.712 293 3HB ALA 38 3HB ALA 38 -7.968 -7.889 -3.599 294 H LEU 39 H LEU 39 -8.601 -6.820 0.166 295 HA LEU 39 HA LEU 39 -7.030 -8.485 1.694 296 1HB LEU 39 2HB LEU 39 -9.513 -7.432 1.953 297 2HB LEU 39 3HB LEU 39 -9.982 -9.087 1.581 298 HG LEU 39 HG LEU 39 -8.260 -8.069 3.865 299 1HD1 LEU 39 1HD1 LEU 39 -10.080 -8.919 5.285 300 2HD1 LEU 39 2HD1 LEU 39 -10.746 -7.806 4.082 301 3HD1 LEU 39 3HD1 LEU 39 -10.927 -9.555 3.861 302 1HD2 LEU 39 1HD2 LEU 39 -8.286 -10.433 4.735 303 2HD2 LEU 39 2HD2 LEU 39 -8.875 -10.967 3.149 304 3HD2 LEU 39 3HD2 LEU 39 -7.272 -10.203 3.318 305 H ALA 40 H ALA 40 -9.063 -9.317 -1.048 306 HA ALA 40 HA ALA 40 -9.302 -12.111 -0.805 307 1HB ALA 40 1HB ALA 40 -9.007 -10.442 -3.338 308 2HB ALA 40 2HB ALA 40 -9.663 -12.088 -3.241 309 3HB ALA 40 3HB ALA 40 -10.531 -10.745 -2.464 310 H THR 41 H THR 41 -6.558 -10.153 -1.843 311 HA THR 41 HA THR 41 -4.926 -12.615 -2.245 312 HB THR 41 HB THR 41 -5.324 -11.761 -4.413 313 HG1 THR 41 1HG THR 41 -2.838 -11.135 -3.334 314 1HG2 THR 41 1HG2 THR 41 -6.288 -9.612 -3.968 315 2HG2 THR 41 2HG2 THR 41 -4.720 -8.969 -3.427 316 3HG2 THR 41 3HG2 THR 41 -4.984 -9.460 -5.123 317 H ASN 42 H ASN 42 -5.582 -10.665 0.046 318 HA ASN 42 HA ASN 42 -4.638 -9.267 1.501 319 1HB ASN 42 2HB ASN 42 -3.655 -11.968 1.550 320 2HB ASN 42 3HB ASN 42 -2.316 -10.969 2.086 321 1HD2 ASN 42 1HD2 ASN 42 -2.840 -9.310 3.845 322 2HD2 ASN 42 2HD2 ASN 42 -4.130 -9.755 4.982 323 H LYS 43 H LYS 43 -4.070 -8.095 -0.839 324 HA LYS 43 HA LYS 43 -1.254 -7.174 -0.559 325 1HB LYS 43 2HB LYS 43 -0.911 -8.831 -2.113 326 2HB LYS 43 3HB LYS 43 -2.516 -8.712 -2.804 327 1HG LYS 43 2HG LYS 43 -0.581 -6.448 -3.282 328 2HG LYS 43 3HG LYS 43 -0.393 -7.948 -4.147 329 1HD LYS 43 2HD LYS 43 -3.162 -6.677 -4.042 330 2HD LYS 43 3HD LYS 43 -1.939 -6.013 -5.138 331 1HE LYS 43 2HE LYS 43 -2.782 -8.929 -5.058 332 2HE LYS 43 3HE LYS 43 -3.519 -7.718 -6.122 333 1HZ LYS 43 1HZ LYS 43 -1.404 -7.370 -7.145 334 2HZ LYS 43 2HZ LYS 43 -0.674 -8.477 -6.192 335 3HZ LYS 43 3HZ LYS 43 -1.829 -8.949 -7.266 336 H ALA 44 H ALA 44 -0.766 -5.212 -1.257 337 HA ALA 44 HA ALA 44 -2.962 -3.379 -2.072 338 1HB ALA 44 1HB ALA 44 -1.466 -2.931 0.038 339 2HB ALA 44 2HB ALA 44 -0.278 -2.410 -1.175 340 3HB ALA 44 3HB ALA 44 -1.872 -1.644 -1.095 341 H HIS 45 H HIS 45 -3.121 -3.461 -4.205 342 HA HIS 45 HA HIS 45 -0.714 -3.065 -5.932 343 1HB HIS 45 2HB HIS 45 -2.640 -4.508 -6.716 344 2HB HIS 45 3HB HIS 45 -3.639 -3.072 -6.684 345 HD1 HIS 45 1HD HIS 45 -1.854 -5.024 -9.027 346 HD2 HIS 45 2HD HIS 45 -1.550 -1.044 -8.062 347 HE1 HIS 45 1HE HIS 45 -1.042 -3.863 -11.151 348 H ILE 46 H ILE 46 0.035 -1.306 -4.829 349 HA ILE 46 HA ILE 46 -1.663 1.132 -4.829 350 HB ILE 46 HB ILE 46 1.084 0.487 -3.732 351 1HG1 ILE 46 2HG1 ILE 46 -1.395 1.555 -2.314 352 2HG1 ILE 46 3HG1 ILE 46 -1.153 -0.170 -2.579 353 1HG2 ILE 46 1HG2 ILE 46 1.232 2.753 -4.609 354 2HG2 ILE 46 2HG2 ILE 46 -0.319 3.197 -3.862 355 3HG2 ILE 46 3HG2 ILE 46 1.096 2.845 -2.859 356 1HD1 ILE 46 1HD1 ILE 46 0.707 1.635 -1.030 357 2HD1 ILE 46 2HD1 ILE 46 -0.387 0.400 -0.378 358 3HD1 ILE 46 3HD1 ILE 46 1.002 -0.086 -1.378 359 H LYS 47 H LYS 47 -0.971 2.912 -6.107 360 HA LYS 47 HA LYS 47 1.073 2.292 -8.154 361 1HB LYS 47 2HB LYS 47 -1.566 3.723 -8.563 362 2HB LYS 47 3HB LYS 47 -0.229 3.700 -9.753 363 1HG LYS 47 2HG LYS 47 -0.435 1.084 -9.449 364 2HG LYS 47 3HG LYS 47 -2.043 1.436 -8.841 365 1HD LYS 47 2HD LYS 47 -0.898 2.188 -11.589 366 2HD LYS 47 3HD LYS 47 -1.957 0.829 -11.235 367 1HE LYS 47 2HE LYS 47 -3.325 2.501 -12.220 368 2HE LYS 47 3HE LYS 47 -3.766 2.408 -10.513 369 1HZ LYS 47 1HZ LYS 47 -3.564 4.674 -11.327 370 2HZ LYS 47 2HZ LYS 47 -2.462 4.393 -10.147 371 3HZ LYS 47 3HZ LYS 47 -1.984 4.438 -11.718 372 H TYR 48 H TYR 48 2.488 4.149 -8.504 373 HA TYR 48 HA TYR 48 2.275 6.434 -6.760 374 1HB TYR 48 2HB TYR 48 3.705 5.812 -5.043 375 2HB TYR 48 3HB TYR 48 2.796 4.328 -5.230 376 HD1 TYR 48 HD1 TYR 48 4.156 3.025 -7.597 377 HD2 TYR 48 HD2 TYR 48 5.815 5.193 -4.258 378 HE1 TYR 48 HE1 TYR 48 6.381 2.061 -8.061 379 HE2 TYR 48 HE2 TYR 48 8.037 4.295 -4.779 380 HH TYR 48 HH TYR 48 9.290 2.906 -6.190 381 H ASP 49 H ASP 49 4.254 7.740 -6.663 382 HA ASP 49 HA ASP 49 5.813 7.400 -9.197 383 1HB ASP 49 2HB ASP 49 5.158 10.009 -7.850 384 2HB ASP 49 3HB ASP 49 5.749 9.652 -9.495 385 HA PRO 50 HA PRO 50 8.971 7.050 -5.881 386 1HB PRO 50 2HB PRO 50 11.037 6.027 -7.389 387 2HB PRO 50 3HB PRO 50 9.739 5.087 -6.607 388 1HG PRO 50 2HG PRO 50 9.916 6.000 -9.469 389 2HG PRO 50 3HG PRO 50 9.404 4.418 -8.808 390 1HD PRO 50 2HD PRO 50 7.634 6.332 -9.639 391 2HD PRO 50 3HD PRO 50 7.247 5.274 -8.258 392 H GLU 51 H GLU 51 9.240 8.884 -8.898 393 HA GLU 51 HA GLU 51 11.554 10.380 -8.268 394 1HB GLU 51 2HB GLU 51 10.123 12.337 -9.293 395 2HB GLU 51 3HB GLU 51 10.749 11.035 -10.294 396 1HG GLU 51 2HG GLU 51 7.949 10.764 -9.155 397 2HG GLU 51 3HG GLU 51 8.254 11.816 -10.540 398 H ILE 52 H ILE 52 8.400 10.401 -6.666 399 HA ILE 52 HA ILE 52 9.477 12.461 -4.776 400 HB ILE 52 HB ILE 52 7.724 13.371 -6.037 401 1HG1 ILE 52 2HG1 ILE 52 7.973 14.021 -3.672 402 2HG1 ILE 52 3HG1 ILE 52 6.397 14.326 -4.397 403 1HG2 ILE 52 1HG2 ILE 52 5.849 11.155 -5.245 404 2HG2 ILE 52 2HG2 ILE 52 5.399 12.692 -5.991 405 3HG2 ILE 52 3HG2 ILE 52 6.462 11.580 -6.852 406 1HD1 ILE 52 1HD1 ILE 52 5.485 12.300 -3.233 407 2HD1 ILE 52 2HD1 ILE 52 7.041 12.140 -2.383 408 3HD1 ILE 52 3HD1 ILE 52 6.054 13.581 -2.158 409 H ILE 53 H ILE 53 7.139 9.682 -4.856 410 HA ILE 53 HA ILE 53 7.703 9.460 -1.950 411 HB ILE 53 HB ILE 53 5.289 9.716 -3.291 412 1HG1 ILE 53 2HG1 ILE 53 5.823 8.727 -0.472 413 2HG1 ILE 53 3HG1 ILE 53 5.890 10.412 -1.017 414 1HG2 ILE 53 1HG2 ILE 53 3.997 7.716 -2.778 415 2HG2 ILE 53 2HG2 ILE 53 5.236 7.390 -3.972 416 3HG2 ILE 53 3HG2 ILE 53 5.463 6.859 -2.276 417 1HD1 ILE 53 1HD1 ILE 53 3.804 10.164 0.008 418 2HD1 ILE 53 2HD1 ILE 53 3.474 10.184 -1.738 419 3HD1 ILE 53 3HD1 ILE 53 3.436 8.649 -0.828 420 H GLY 54 H GLY 54 8.847 7.779 -1.233 421 1HA GLY 54 2HA GLY 54 9.813 5.848 -3.292 422 2HA GLY 54 1HA GLY 54 10.523 6.135 -1.697 423 HA PRO 55 HA PRO 55 7.430 2.447 -1.575 424 1HB PRO 55 2HB PRO 55 9.313 0.455 -1.217 425 2HB PRO 55 3HB PRO 55 8.638 0.913 -2.804 426 1HG PRO 55 2HG PRO 55 11.257 1.808 -1.589 427 2HG PRO 55 3HG PRO 55 10.949 1.231 -3.252 428 1HD PRO 55 2HD PRO 55 11.101 3.877 -2.675 429 2HD PRO 55 3HD PRO 55 9.926 3.270 -3.870 430 H ARG 56 H ARG 56 10.539 3.292 -0.084 431 HA ARG 56 HA ARG 56 10.382 2.646 2.551 432 1HB ARG 56 2HB ARG 56 11.740 4.564 2.970 433 2HB ARG 56 3HB ARG 56 12.116 4.067 1.315 434 1HG ARG 56 2HG ARG 56 10.308 5.800 0.604 435 2HG ARG 56 3HG ARG 56 10.416 6.356 2.299 436 1HD ARG 56 2HD ARG 56 12.676 7.050 1.956 437 2HD ARG 56 3HD ARG 56 12.615 6.480 0.263 438 HE ARG 56 HE ARG 56 10.571 8.390 1.369 439 1HH1 ARG 56 2HH2 ARG 56 13.221 8.123 -0.977 440 2HH1 ARG 56 1HH2 ARG 56 12.466 9.192 -2.129 441 1HH2 ARG 56 2HH1 ARG 56 9.541 9.543 -0.198 442 2HH2 ARG 56 1HH1 ARG 56 10.310 10.162 -1.629 443 H ASP 57 H ASP 57 8.459 5.341 1.042 444 HA ASP 57 HA ASP 57 7.746 6.390 3.646 445 1HB ASP 57 2HB ASP 57 6.531 6.970 0.899 446 2HB ASP 57 3HB ASP 57 6.334 7.942 2.362 447 H ILE 58 H ILE 58 6.120 4.755 0.989 448 HA ILE 58 HA ILE 58 3.561 4.399 2.135 449 HB ILE 58 HB ILE 58 5.122 2.858 0.039 450 1HG1 ILE 58 2HG1 ILE 58 2.738 4.735 -0.309 451 2HG1 ILE 58 3HG1 ILE 58 4.387 5.364 -0.243 452 1HG2 ILE 58 1HG2 ILE 58 2.948 1.878 -0.648 453 2HG2 ILE 58 2HG2 ILE 58 3.410 1.342 0.959 454 3HG2 ILE 58 3HG2 ILE 58 2.179 2.612 0.782 455 1HD1 ILE 58 1HD1 ILE 58 3.768 5.055 -2.540 456 2HD1 ILE 58 2HD1 ILE 58 5.067 3.925 -2.095 457 3HD1 ILE 58 3HD1 ILE 58 3.386 3.348 -2.263 458 H ILE 59 H ILE 59 6.400 2.154 2.098 459 HA ILE 59 HA ILE 59 5.216 0.090 3.609 460 HB ILE 59 HB ILE 59 8.094 0.994 3.310 461 1HG1 ILE 59 2HG1 ILE 59 6.661 -1.500 2.273 462 2HG1 ILE 59 3HG1 ILE 59 6.704 0.004 1.356 463 1HG2 ILE 59 1HG2 ILE 59 7.031 -1.477 4.751 464 2HG2 ILE 59 2HG2 ILE 59 8.727 -1.232 4.293 465 3HG2 ILE 59 3HG2 ILE 59 7.985 -0.160 5.464 466 1HD1 ILE 59 1HD1 ILE 59 8.458 -1.386 0.530 467 2HD1 ILE 59 2HD1 ILE 59 9.209 -0.048 1.425 468 3HD1 ILE 59 3HD1 ILE 59 9.114 -1.669 2.148 469 H HIS 60 H HIS 60 7.244 2.878 4.862 470 HA HIS 60 HA HIS 60 6.865 2.180 7.577 471 1HB HIS 60 2HB HIS 60 7.392 4.848 6.212 472 2HB HIS 60 3HB HIS 60 7.324 4.644 7.966 473 HD1 HIS 60 1HD HIS 60 9.696 4.176 5.124 474 HD2 HIS 60 2HD HIS 60 9.178 2.880 9.070 475 HE1 HIS 60 1HE HIS 60 11.989 3.327 5.914 476 H THR 61 H THR 61 4.795 4.041 5.303 477 HA THR 61 HA THR 61 3.043 4.978 7.380 478 HB THR 61 HB THR 61 2.498 4.667 4.410 479 HG1 THR 61 1HG THR 61 4.250 6.024 4.924 480 1HG2 THR 61 1HG2 THR 61 1.091 6.205 6.640 481 2HG2 THR 61 2HG2 THR 61 0.880 6.552 4.916 482 3HG2 THR 61 3HG2 THR 61 0.402 4.970 5.558 483 H ILE 62 H ILE 62 2.939 2.074 5.257 484 HA ILE 62 HA ILE 62 0.404 1.105 6.196 485 HB ILE 62 HB ILE 62 2.742 -0.203 4.773 486 1HG1 ILE 62 2HG1 ILE 62 -0.038 0.726 3.881 487 2HG1 ILE 62 3HG1 ILE 62 1.459 1.588 3.558 488 1HG2 ILE 62 1HG2 ILE 62 -0.036 -1.394 5.145 489 2HG2 ILE 62 2HG2 ILE 62 1.344 -2.118 4.296 490 3HG2 ILE 62 3HG2 ILE 62 1.410 -1.926 6.035 491 1HD1 ILE 62 1HD1 ILE 62 0.973 0.417 1.573 492 2HD1 ILE 62 2HD1 ILE 62 2.277 -0.505 2.346 493 3HD1 ILE 62 3HD1 ILE 62 0.589 -1.080 2.432 494 H GLU 63 H GLU 63 3.782 0.338 7.155 495 HA GLU 63 HA GLU 63 3.212 -1.453 9.292 496 1HB GLU 63 2HB GLU 63 5.438 0.569 8.837 497 2HB GLU 63 3HB GLU 63 5.446 -0.629 10.141 498 1HG GLU 63 2HG GLU 63 5.395 -2.466 8.587 499 2HG GLU 63 3HG GLU 63 5.162 -1.404 7.197 500 H SER 64 H SER 64 3.717 2.063 9.375 501 HA SER 64 HA SER 64 3.128 2.530 12.051 502 1HB SER 64 2HB SER 64 4.167 4.146 10.598 503 2HB SER 64 3HB SER 64 2.739 4.285 9.590 504 HG SER 64 HG SER 64 1.662 5.089 11.556 505 H LEU 65 H LEU 65 0.717 2.490 9.287 506 HA LEU 65 HA LEU 65 -1.532 2.980 10.979 507 1HB LEU 65 2HB LEU 65 -1.228 1.586 8.311 508 2HB LEU 65 3HB LEU 65 -2.787 2.012 9.020 509 HG LEU 65 HG LEU 65 -0.687 4.174 8.636 510 1HD1 LEU 65 1HD1 LEU 65 -1.635 4.565 6.408 511 2HD1 LEU 65 2HD1 LEU 65 -0.855 2.982 6.544 512 3HD1 LEU 65 3HD1 LEU 65 -2.634 3.099 6.562 513 1HD2 LEU 65 1HD2 LEU 65 -2.616 5.627 8.502 514 2HD2 LEU 65 2HD2 LEU 65 -3.727 4.249 8.606 515 3HD2 LEU 65 3HD2 LEU 65 -2.702 4.682 9.993 516 H GLY 66 H GLY 66 -0.005 -0.105 9.900 517 1HA GLY 66 2HA GLY 66 -1.212 -1.436 12.187 518 2HA GLY 66 1HA GLY 66 -1.968 -1.911 10.664 519 H PHE 67 H PHE 67 0.475 -1.872 9.045 520 HA PHE 67 HA PHE 67 0.601 -4.754 9.795 521 1HB PHE 67 2HB PHE 67 0.287 -3.665 7.035 522 2HB PHE 67 3HB PHE 67 -0.211 -5.222 7.683 523 HD1 PHE 67 1HD PHE 67 -1.040 -1.690 7.155 524 HD2 PHE 67 2HD PHE 67 -2.239 -5.217 9.309 525 HE1 PHE 67 1HE PHE 67 -3.289 -0.735 7.436 526 HE2 PHE 67 2HE PHE 67 -4.480 -4.238 9.651 527 HZ PHE 67 HZ PHE 67 -5.076 -2.059 8.493 528 H GLU 68 H GLU 68 2.461 -5.948 9.327 529 HA GLU 68 HA GLU 68 4.754 -4.616 8.022 530 1HB GLU 68 2HB GLU 68 5.701 -7.008 8.297 531 2HB GLU 68 3HB GLU 68 5.565 -5.960 9.703 532 1HG GLU 68 2HG GLU 68 3.709 -7.111 10.599 533 2HG GLU 68 3HG GLU 68 3.372 -7.958 9.083 534 H ALA 69 H ALA 69 5.660 -5.532 6.049 535 HA ALA 69 HA ALA 69 3.629 -6.725 4.248 536 1HB ALA 69 1HB ALA 69 4.973 -4.011 3.888 537 2HB ALA 69 2HB ALA 69 3.926 -4.812 2.698 538 3HB ALA 69 3HB ALA 69 3.254 -4.284 4.253 539 H SER 70 H SER 70 4.489 -7.111 2.093 540 HA SER 70 HA SER 70 7.440 -7.572 1.936 541 1HB SER 70 2HB SER 70 5.242 -9.501 1.095 542 2HB SER 70 3HB SER 70 6.971 -9.735 0.861 543 HG SER 70 HG SER 70 6.149 -10.827 2.703 544 H LEU 71 H LEU 71 8.064 -6.197 0.259 545 HA LEU 71 HA LEU 71 6.237 -5.312 -1.790 546 1HB LEU 71 2HB LEU 71 7.955 -3.882 -0.732 547 2HB LEU 71 3HB LEU 71 9.221 -5.015 -1.224 548 HG LEU 71 HG LEU 71 8.758 -4.537 -3.563 549 1HD1 LEU 71 1HD1 LEU 71 6.850 -2.408 -2.486 550 2HD1 LEU 71 2HD1 LEU 71 7.402 -2.517 -4.171 551 3HD1 LEU 71 3HD1 LEU 71 6.401 -3.803 -3.493 552 1HD2 LEU 71 1HD2 LEU 71 9.762 -2.272 -3.587 553 2HD2 LEU 71 2HD2 LEU 71 9.327 -2.068 -1.876 554 3HD2 LEU 71 3HD2 LEU 71 10.509 -3.305 -2.355 555 H VAL 72 H VAL 72 5.612 -7.443 -2.431 556 HA VAL 72 HA VAL 72 7.367 -9.234 -3.754 557 HB VAL 72 HB VAL 72 5.341 -10.205 -4.736 558 1HG1 VAL 72 1HG1 VAL 72 4.345 -10.955 -2.700 559 2HG1 VAL 72 2HG1 VAL 72 6.079 -10.741 -2.426 560 3HG1 VAL 72 3HG1 VAL 72 4.928 -9.538 -1.810 561 1HG2 VAL 72 1HG2 VAL 72 3.998 -8.204 -5.204 562 2HG2 VAL 72 2HG2 VAL 72 3.114 -9.383 -4.235 563 3HG2 VAL 72 3HG2 VAL 72 3.778 -7.937 -3.462 564 H LYS 73 H LYS 73 5.682 -6.366 -4.959 565 HA LYS 73 HA LYS 73 5.494 -5.457 -7.022 566 1HB LYS 73 2HB LYS 73 7.438 -4.473 -5.974 567 2HB LYS 73 3HB LYS 73 8.499 -5.657 -6.729 568 1HG LYS 73 2HG LYS 73 6.746 -4.325 -8.715 569 2HG LYS 73 3HG LYS 73 7.591 -3.131 -7.753 570 1HD LYS 73 2HD LYS 73 9.615 -3.568 -8.644 571 2HD LYS 73 3HD LYS 73 9.389 -5.313 -8.687 572 1HE LYS 73 2HE LYS 73 8.138 -3.388 -10.713 573 2HE LYS 73 3HE LYS 73 9.640 -4.296 -10.928 574 1HZ LYS 73 1HZ LYS 73 6.917 -5.417 -10.837 575 2HZ LYS 73 2HZ LYS 73 8.074 -5.658 -11.913 576 3HZ LYS 73 3HZ LYS 73 8.157 -6.322 -10.384 577 H ILE 74 H ILE 74 4.483 -7.467 -7.804 578 HA ILE 74 HA ILE 74 5.624 -9.404 -9.397 579 HB ILE 74 HB ILE 74 3.470 -9.577 -10.537 580 1HG1 ILE 74 2HG1 ILE 74 2.756 -6.937 -9.177 581 2HG1 ILE 74 3HG1 ILE 74 2.977 -7.198 -10.909 582 1HG2 ILE 74 1HG2 ILE 74 3.029 -8.966 -7.584 583 2HG2 ILE 74 2HG2 ILE 74 2.152 -10.125 -8.602 584 3HG2 ILE 74 3HG2 ILE 74 3.841 -10.422 -8.192 585 1HD1 ILE 74 1HD1 ILE 74 0.625 -7.149 -10.434 586 2HD1 ILE 74 2HD1 ILE 74 1.075 -8.799 -10.914 587 3HD1 ILE 74 3HD1 ILE 74 0.771 -8.409 -9.203 588 H GLU 75 H GLU 75 5.937 -9.675 -11.586 589 HA GLU 75 HA GLU 75 7.915 -8.396 -12.594 590 1HB GLU 75 2HB GLU 75 6.688 -10.474 -13.453 591 2HB GLU 75 3HB GLU 75 5.794 -9.383 -14.523 592 1HG GLU 75 2HG GLU 75 7.909 -8.678 -15.568 593 2HG GLU 75 3HG GLU 75 8.838 -9.649 -14.409 Start of MODEL 27 1 1H MET 1 H1 MET 1 7.509 9.613 -20.780 2 2H MET 1 H2 MET 1 9.032 9.170 -21.291 3 3H MET 1 H3 MET 1 7.712 8.157 -21.494 4 HA MET 1 HA MET 1 9.263 7.572 -19.656 5 1HB MET 1 2HB MET 1 7.509 9.736 -18.386 6 2HB MET 1 3HB MET 1 8.547 8.602 -17.509 7 1HG MET 1 2HG MET 1 10.540 9.516 -18.646 8 2HG MET 1 3HG MET 1 9.520 10.729 -19.448 9 1HE MET 1 1HE MET 1 11.108 12.641 -18.576 10 2HE MET 1 2HE MET 1 11.548 12.834 -16.863 11 3HE MET 1 3HE MET 1 12.125 11.417 -17.770 12 H GLY 2 H GLY 2 7.428 6.892 -17.472 13 1HA GLY 2 2HA GLY 2 4.887 6.126 -18.525 14 2HA GLY 2 1HA GLY 2 6.022 4.752 -18.453 15 H ASP 3 H ASP 3 3.796 4.726 -16.797 16 HA ASP 3 HA ASP 3 3.780 5.944 -14.414 17 1HB ASP 3 2HB ASP 3 3.264 2.970 -14.612 18 2HB ASP 3 3HB ASP 3 2.414 4.195 -13.638 19 H GLY 4 H GLY 4 4.228 5.223 -12.223 20 1HA GLY 4 2HA GLY 4 6.433 3.254 -11.815 21 2HA GLY 4 1HA GLY 4 5.656 4.264 -10.591 22 H VAL 5 H VAL 5 5.883 1.595 -10.122 23 HA VAL 5 HA VAL 5 3.186 1.212 -9.329 24 HB VAL 5 HB VAL 5 2.978 -0.004 -11.429 25 1HG1 VAL 5 1HG1 VAL 5 4.267 -1.983 -11.978 26 2HG1 VAL 5 2HG1 VAL 5 5.362 -0.601 -11.822 27 3HG1 VAL 5 3HG1 VAL 5 5.258 -1.810 -10.523 28 1HG2 VAL 5 1HG2 VAL 5 3.162 -1.963 -9.106 29 2HG2 VAL 5 2HG2 VAL 5 1.813 -0.846 -9.399 30 3HG2 VAL 5 3HG2 VAL 5 2.181 -2.126 -10.570 31 H LEU 6 H LEU 6 3.263 0.483 -7.256 32 HA LEU 6 HA LEU 6 5.636 -1.049 -6.300 33 1HB LEU 6 2HB LEU 6 5.385 1.430 -5.462 34 2HB LEU 6 3HB LEU 6 3.936 0.882 -4.648 35 HG LEU 6 HG LEU 6 6.838 0.149 -4.168 36 1HD1 LEU 6 1HD1 LEU 6 4.624 1.165 -2.325 37 2HD1 LEU 6 2HD1 LEU 6 6.345 1.004 -1.923 38 3HD1 LEU 6 3HD1 LEU 6 5.820 2.195 -3.132 39 1HD2 LEU 6 1HD2 LEU 6 5.764 -1.987 -3.991 40 2HD2 LEU 6 2HD2 LEU 6 6.037 -1.394 -2.361 41 3HD2 LEU 6 3HD2 LEU 6 4.403 -1.305 -3.066 42 H GLU 7 H GLU 7 4.894 -3.045 -5.687 43 HA GLU 7 HA GLU 7 2.024 -3.342 -4.956 44 1HB GLU 7 2HB GLU 7 2.668 -3.880 -7.374 45 2HB GLU 7 3HB GLU 7 3.526 -5.294 -6.737 46 1HG GLU 7 2HG GLU 7 1.539 -6.257 -5.960 47 2HG GLU 7 3HG GLU 7 0.703 -4.761 -5.800 48 H LEU 8 H LEU 8 1.834 -4.328 -3.041 49 HA LEU 8 HA LEU 8 4.133 -5.897 -2.030 50 1HB LEU 8 2HB LEU 8 4.245 -4.570 0.040 51 2HB LEU 8 3HB LEU 8 4.655 -3.652 -1.404 52 HG LEU 8 HG LEU 8 2.239 -2.726 -1.330 53 1HD1 LEU 8 1HD1 LEU 8 1.296 -4.207 0.463 54 2HD1 LEU 8 2HD1 LEU 8 2.605 -3.721 1.546 55 3HD1 LEU 8 3HD1 LEU 8 1.380 -2.552 1.023 56 1HD2 LEU 8 1HD2 LEU 8 4.160 -1.950 0.894 57 2HD2 LEU 8 2HD2 LEU 8 4.363 -1.482 -0.801 58 3HD2 LEU 8 3HD2 LEU 8 2.949 -0.931 0.078 59 H VAL 9 H VAL 9 3.683 -7.378 -0.457 60 HA VAL 9 HA VAL 9 0.863 -8.080 -0.095 61 HB VAL 9 HB VAL 9 2.478 -9.853 -0.542 62 1HG1 VAL 9 1HG1 VAL 9 3.622 -9.234 2.214 63 2HG1 VAL 9 2HG1 VAL 9 3.992 -10.656 1.220 64 3HG1 VAL 9 3HG1 VAL 9 4.450 -9.058 0.644 65 1HG2 VAL 9 1HG2 VAL 9 0.419 -10.438 0.561 66 2HG2 VAL 9 2HG2 VAL 9 1.732 -11.398 1.239 67 3HG2 VAL 9 3HG2 VAL 9 1.089 -10.024 2.158 68 H VAL 10 H VAL 10 -0.212 -7.787 1.831 69 HA VAL 10 HA VAL 10 1.100 -6.232 4.009 70 HB VAL 10 HB VAL 10 -1.589 -5.507 4.078 71 1HG1 VAL 10 1HG1 VAL 10 0.811 -4.040 2.998 72 2HG1 VAL 10 2HG1 VAL 10 -0.733 -3.283 3.445 73 3HG1 VAL 10 3HG1 VAL 10 0.248 -4.099 4.678 74 1HG2 VAL 10 1HG2 VAL 10 -1.960 -6.310 1.750 75 2HG2 VAL 10 2HG2 VAL 10 -2.149 -4.561 1.921 76 3HG2 VAL 10 3HG2 VAL 10 -0.677 -5.214 1.189 77 H ARG 11 H ARG 11 1.383 -7.756 5.462 78 HA ARG 11 HA ARG 11 -0.670 -9.802 6.050 79 1HB ARG 11 2HB ARG 11 2.113 -9.213 7.100 80 2HB ARG 11 3HB ARG 11 1.113 -10.553 7.676 81 1HG ARG 11 2HG ARG 11 1.206 -11.638 5.532 82 2HG ARG 11 3HG ARG 11 1.874 -10.200 4.734 83 1HD ARG 11 2HD ARG 11 3.922 -10.328 5.992 84 2HD ARG 11 3HD ARG 11 3.329 -11.701 6.949 85 HE ARG 11 HE ARG 11 3.149 -12.422 4.229 86 1HH1 ARG 11 2HH2 ARG 11 5.705 -11.600 6.568 87 2HH1 ARG 11 1HH2 ARG 11 6.916 -12.572 5.813 88 1HH2 ARG 11 2HH1 ARG 11 4.762 -13.719 3.203 89 2HH2 ARG 11 1HH1 ARG 11 6.367 -13.802 3.858 90 H GLY 12 H GLY 12 -1.882 -9.730 7.921 91 1HA GLY 12 2HA GLY 12 -2.279 -9.029 10.169 92 2HA GLY 12 1HA GLY 12 -1.546 -7.459 9.844 93 H MET 13 H MET 13 -3.281 -7.863 7.092 94 HA MET 13 HA MET 13 -5.400 -6.121 7.957 95 1HB MET 13 2HB MET 13 -5.131 -7.774 5.419 96 2HB MET 13 3HB MET 13 -6.321 -6.490 5.701 97 1HG MET 13 2HG MET 13 -4.380 -4.903 6.107 98 2HG MET 13 3HG MET 13 -3.313 -6.178 5.505 99 1HE MET 13 1HE MET 13 -4.654 -6.508 1.794 100 2HE MET 13 2HE MET 13 -3.659 -7.255 3.072 101 3HE MET 13 3HE MET 13 -5.441 -7.360 3.146 102 H THR 14 H THR 14 -7.582 -6.518 8.279 103 HA THR 14 HA THR 14 -8.842 -8.922 7.493 104 HB THR 14 HB THR 14 -7.883 -9.782 9.615 105 HG1 THR 14 1HG THR 14 -9.811 -10.640 9.181 106 1HG2 THR 14 1HG2 THR 14 -8.542 -8.896 11.778 107 2HG2 THR 14 2HG2 THR 14 -7.678 -7.643 10.872 108 3HG2 THR 14 3HG2 THR 14 -9.449 -7.577 11.025 109 H CYS 15 H CYS 15 -11.063 -8.456 7.324 110 HA CYS 15 HA CYS 15 -12.948 -7.271 7.153 111 1HB CYS 15 2HB CYS 15 -12.949 -7.101 9.559 112 2HB CYS 15 3HB CYS 15 -11.893 -5.682 9.530 113 HG CYS 15 HG CYS 15 -14.185 -4.821 10.117 114 H ALA 16 H ALA 16 -13.856 -5.589 6.047 115 HA ALA 16 HA ALA 16 -12.584 -4.156 4.113 116 1HB ALA 16 1HB ALA 16 -15.073 -3.341 5.658 117 2HB ALA 16 2HB ALA 16 -14.595 -2.747 4.054 118 3HB ALA 16 3HB ALA 16 -15.007 -4.457 4.274 119 H SER 17 H SER 17 -12.959 -3.186 7.490 120 HA SER 17 HA SER 17 -12.161 -0.514 7.469 121 1HB SER 17 2HB SER 17 -11.390 -1.009 9.772 122 2HB SER 17 3HB SER 17 -12.996 -1.678 9.400 123 HG SER 17 HG SER 17 -11.645 -3.668 8.812 124 H CYS 18 H CYS 18 -9.804 -2.916 8.637 125 HA CYS 18 HA CYS 18 -7.471 -1.508 8.241 126 1HB CYS 18 2HB CYS 18 -8.017 -4.481 7.983 127 2HB CYS 18 3HB CYS 18 -6.384 -3.824 7.909 128 HG CYS 18 HG CYS 18 -6.902 -4.837 10.295 129 H VAL 19 H VAL 19 -9.129 -3.569 5.890 130 HA VAL 19 HA VAL 19 -7.402 -3.446 3.708 131 HB VAL 19 HB VAL 19 -10.401 -3.621 4.047 132 1HG1 VAL 19 1HG1 VAL 19 -8.916 -3.777 1.414 133 2HG1 VAL 19 2HG1 VAL 19 -10.570 -4.378 1.703 134 3HG1 VAL 19 3HG1 VAL 19 -10.233 -2.657 1.864 135 1HG2 VAL 19 1HG2 VAL 19 -8.254 -5.584 3.250 136 2HG2 VAL 19 2HG2 VAL 19 -9.038 -5.479 4.837 137 3HG2 VAL 19 3HG2 VAL 19 -9.997 -5.948 3.420 138 H HIS 20 H HIS 20 -10.274 -1.247 4.215 139 HA HIS 20 HA HIS 20 -9.307 0.376 2.106 140 1HB HIS 20 2HB HIS 20 -11.095 1.770 2.267 141 2HB HIS 20 3HB HIS 20 -11.643 0.114 2.467 142 HD1 HIS 20 1HD HIS 20 -13.786 1.823 3.236 143 HD2 HIS 20 2HD HIS 20 -10.424 1.642 5.687 144 HE1 HIS 20 1HE HIS 20 -14.423 2.944 5.437 145 H LYS 21 H LYS 21 -8.575 0.247 5.469 146 HA LYS 21 HA LYS 21 -8.072 2.915 6.005 147 1HB LYS 21 2HB LYS 21 -8.161 1.019 7.682 148 2HB LYS 21 3HB LYS 21 -6.539 0.538 7.169 149 1HG LYS 21 2HG LYS 21 -6.487 1.798 9.237 150 2HG LYS 21 3HG LYS 21 -5.617 2.672 7.964 151 1HD LYS 21 2HD LYS 21 -7.406 4.219 7.647 152 2HD LYS 21 3HD LYS 21 -8.541 3.206 8.572 153 1HE LYS 21 2HE LYS 21 -7.201 3.646 10.647 154 2HE LYS 21 3HE LYS 21 -6.115 4.690 9.711 155 1HZ LYS 21 1HZ LYS 21 -7.775 5.946 10.884 156 2HZ LYS 21 2HZ LYS 21 -7.997 6.125 9.266 157 3HZ LYS 21 3HZ LYS 21 -8.998 5.147 10.133 158 H ILE 22 H ILE 22 -6.007 0.451 4.588 159 HA ILE 22 HA ILE 22 -3.557 1.887 4.416 160 HB ILE 22 HB ILE 22 -4.826 -0.337 2.799 161 1HG1 ILE 22 2HG1 ILE 22 -2.519 -0.428 4.767 162 2HG1 ILE 22 3HG1 ILE 22 -4.226 -0.640 5.233 163 1HG2 ILE 22 1HG2 ILE 22 -2.015 0.817 2.571 164 2HG2 ILE 22 2HG2 ILE 22 -2.483 -0.756 1.898 165 3HG2 ILE 22 3HG2 ILE 22 -3.217 0.718 1.278 166 1HD1 ILE 22 1HD1 ILE 22 -2.989 -2.465 3.231 167 2HD1 ILE 22 2HD1 ILE 22 -3.150 -2.760 4.981 168 3HD1 ILE 22 3HD1 ILE 22 -4.603 -2.469 4.008 169 H GLU 23 H GLU 23 -5.930 1.343 1.748 170 HA GLU 23 HA GLU 23 -4.912 3.297 0.040 171 1HB GLU 23 2HB GLU 23 -7.358 3.405 -0.849 172 2HB GLU 23 3HB GLU 23 -6.344 1.972 -1.061 173 1HG GLU 23 2HG GLU 23 -8.102 0.839 -0.470 174 2HG GLU 23 3HG GLU 23 -7.693 1.265 1.178 175 H SER 24 H SER 24 -7.871 3.894 1.990 176 HA SER 24 HA SER 24 -8.015 6.584 1.713 177 1HB SER 24 2HB SER 24 -8.493 4.944 4.236 178 2HB SER 24 3HB SER 24 -9.076 6.603 4.015 179 HG SER 24 HG SER 24 -9.694 4.531 2.163 180 H SER 25 H SER 25 -5.818 5.019 4.150 181 HA SER 25 HA SER 25 -4.939 7.580 5.169 182 1HB SER 25 2HB SER 25 -4.832 5.524 6.479 183 2HB SER 25 3HB SER 25 -3.577 4.869 5.390 184 HG SER 25 HG SER 25 -2.707 5.916 7.271 185 H LEU 26 H LEU 26 -3.613 5.430 2.584 186 HA LEU 26 HA LEU 26 -1.290 7.163 2.398 187 1HB LEU 26 2HB LEU 26 -2.277 5.219 0.316 188 2HB LEU 26 3HB LEU 26 -0.665 5.987 0.439 189 HG LEU 26 HG LEU 26 -1.682 4.169 2.630 190 1HD1 LEU 26 1HD1 LEU 26 -0.039 3.504 0.161 191 2HD1 LEU 26 2HD1 LEU 26 -0.356 2.410 1.528 192 3HD1 LEU 26 3HD1 LEU 26 -1.690 2.934 0.494 193 1HD2 LEU 26 1HD2 LEU 26 0.715 3.969 3.111 194 2HD2 LEU 26 2HD2 LEU 26 1.088 5.134 1.824 195 3HD2 LEU 26 3HD2 LEU 26 0.158 5.635 3.254 196 H THR 27 H THR 27 -4.458 7.017 0.838 197 HA THR 27 HA THR 27 -3.899 8.835 -1.288 198 HB THR 27 HB THR 27 -6.591 8.026 -0.134 199 HG1 THR 27 1HG THR 27 -5.422 6.229 -0.761 200 1HG2 THR 27 1HG2 THR 27 -6.749 9.944 -1.725 201 2HG2 THR 27 2HG2 THR 27 -5.759 9.044 -2.898 202 3HG2 THR 27 3HG2 THR 27 -7.370 8.453 -2.451 203 H LYS 28 H LYS 28 -2.807 10.291 -0.010 204 HA LYS 28 HA LYS 28 -4.005 12.784 0.648 205 1HB LYS 28 2HB LYS 28 -3.679 12.906 3.039 206 2HB LYS 28 3HB LYS 28 -4.739 11.549 2.677 207 1HG LYS 28 2HG LYS 28 -3.484 10.505 4.135 208 2HG LYS 28 3HG LYS 28 -2.446 10.197 2.728 209 1HD LYS 28 2HD LYS 28 -1.190 12.383 3.474 210 2HD LYS 28 3HD LYS 28 -2.093 12.236 4.978 211 1HE LYS 28 2HE LYS 28 -0.156 10.218 3.753 212 2HE LYS 28 3HE LYS 28 0.143 11.207 5.187 213 1HZ LYS 28 1HZ LYS 28 -0.452 8.946 5.737 214 2HZ LYS 28 2HZ LYS 28 -1.633 9.955 6.287 215 3HZ LYS 28 3HZ LYS 28 -1.865 9.059 4.927 216 H HIS 29 H HIS 29 -1.148 10.552 0.935 217 HA HIS 29 HA HIS 29 0.868 12.458 1.302 218 1HB HIS 29 2HB HIS 29 0.869 9.993 -0.495 219 2HB HIS 29 3HB HIS 29 2.300 10.915 -0.029 220 HD1 HIS 29 1HD HIS 29 3.037 10.727 2.622 221 HD2 HIS 29 2HD HIS 29 0.275 7.999 1.037 222 HE1 HIS 29 1HE HIS 29 2.972 8.696 4.190 223 H ARG 30 H ARG 30 -0.876 11.601 -1.630 224 HA ARG 30 HA ARG 30 -0.991 12.419 -3.740 225 1HB ARG 30 2HB ARG 30 -0.509 14.724 -2.759 226 2HB ARG 30 3HB ARG 30 1.204 14.420 -3.105 227 1HG ARG 30 2HG ARG 30 0.681 14.180 -5.514 228 2HG ARG 30 3HG ARG 30 -1.018 14.566 -5.172 229 1HD ARG 30 2HD ARG 30 -0.380 16.783 -4.379 230 2HD ARG 30 3HD ARG 30 1.344 16.325 -4.391 231 HE ARG 30 HE ARG 30 0.210 16.003 -7.002 232 1HH1 ARG 30 2HH2 ARG 30 1.328 18.486 -4.771 233 2HH1 ARG 30 1HH2 ARG 30 1.931 19.563 -5.992 234 1HH2 ARG 30 2HH1 ARG 30 1.005 17.396 -8.673 235 2HH2 ARG 30 1HH1 ARG 30 1.711 18.928 -8.277 236 H GLY 31 H GLY 31 1.692 11.063 -2.175 237 1HA GLY 31 2HA GLY 31 3.458 10.682 -4.413 238 2HA GLY 31 1HA GLY 31 3.430 9.811 -2.873 239 H ILE 32 H ILE 32 0.705 9.015 -3.069 240 HA ILE 32 HA ILE 32 0.866 6.713 -4.913 241 HB ILE 32 HB ILE 32 0.402 6.035 -2.785 242 1HG1 ILE 32 2HG1 ILE 32 -1.191 5.176 -4.572 243 2HG1 ILE 32 3HG1 ILE 32 -1.578 4.915 -2.867 244 1HG2 ILE 32 1HG2 ILE 32 -0.033 7.922 -1.498 245 2HG2 ILE 32 2HG2 ILE 32 -1.478 8.376 -2.441 246 3HG2 ILE 32 3HG2 ILE 32 -1.496 6.946 -1.399 247 1HD1 ILE 32 1HD1 ILE 32 -3.596 5.490 -4.081 248 2HD1 ILE 32 2HD1 ILE 32 -3.233 6.739 -2.898 249 3HD1 ILE 32 3HD1 ILE 32 -2.916 7.020 -4.614 250 H LEU 33 H LEU 33 -0.332 6.690 -6.765 251 HA LEU 33 HA LEU 33 -2.364 8.833 -7.232 252 1HB LEU 33 2HB LEU 33 -1.135 6.943 -9.263 253 2HB LEU 33 3HB LEU 33 -2.049 8.418 -9.560 254 HG LEU 33 HG LEU 33 0.759 8.261 -8.346 255 1HD1 LEU 33 1HD1 LEU 33 1.462 9.260 -10.483 256 2HD1 LEU 33 2HD1 LEU 33 0.686 7.686 -10.731 257 3HD1 LEU 33 3HD1 LEU 33 -0.208 9.182 -11.082 258 1HD2 LEU 33 1HD2 LEU 33 -0.446 10.229 -7.460 259 2HD2 LEU 33 2HD2 LEU 33 0.774 10.728 -8.635 260 3HD2 LEU 33 3HD2 LEU 33 -0.939 10.684 -9.107 261 H TYR 34 H TYR 34 -1.941 5.295 -6.942 262 HA TYR 34 HA TYR 34 -4.781 5.212 -6.478 263 1HB TYR 34 2HB TYR 34 -4.621 5.029 -9.027 264 2HB TYR 34 3HB TYR 34 -3.661 3.562 -8.785 265 HD1 TYR 34 HD1 TYR 34 -4.777 1.550 -8.989 266 HD2 TYR 34 HD2 TYR 34 -6.878 4.988 -7.454 267 HE1 TYR 34 HE1 TYR 34 -6.529 0.094 -8.133 268 HE2 TYR 34 HE2 TYR 34 -8.480 3.520 -6.347 269 HH TYR 34 HH TYR 34 -8.211 -0.068 -6.538 270 H CYS 35 H CYS 35 -5.447 3.160 -5.527 271 HA CYS 35 HA CYS 35 -3.278 1.390 -4.542 272 1HB CYS 35 2HB CYS 35 -3.207 3.335 -3.091 273 2HB CYS 35 3HB CYS 35 -4.929 3.129 -2.701 274 HG CYS 35 HG CYS 35 -3.385 2.253 -0.778 275 H SER 36 H SER 36 -4.285 -0.421 -5.416 276 HA SER 36 HA SER 36 -7.059 -1.079 -4.491 277 1HB SER 36 2HB SER 36 -5.403 -2.019 -6.795 278 2HB SER 36 3HB SER 36 -6.413 -3.212 -5.968 279 HG SER 36 HG SER 36 -7.618 -2.234 -7.568 280 H VAL 37 H VAL 37 -6.879 -1.743 -2.407 281 HA VAL 37 HA VAL 37 -4.734 -3.636 -1.624 282 HB VAL 37 HB VAL 37 -6.882 -2.475 0.221 283 1HG1 VAL 37 1HG1 VAL 37 -5.455 -4.357 0.990 284 2HG1 VAL 37 2HG1 VAL 37 -4.013 -3.366 0.653 285 3HG1 VAL 37 3HG1 VAL 37 -5.189 -2.848 1.882 286 1HG2 VAL 37 1HG2 VAL 37 -5.408 -0.677 0.777 287 2HG2 VAL 37 2HG2 VAL 37 -4.238 -1.167 -0.470 288 3HG2 VAL 37 3HG2 VAL 37 -5.844 -0.528 -0.909 289 H ALA 38 H ALA 38 -5.266 -5.449 -2.819 290 HA ALA 38 HA ALA 38 -8.034 -6.473 -2.667 291 1HB ALA 38 1HB ALA 38 -6.936 -6.488 -4.823 292 2HB ALA 38 2HB ALA 38 -5.556 -7.381 -4.158 293 3HB ALA 38 3HB ALA 38 -7.169 -8.148 -4.242 294 H LEU 39 H LEU 39 -8.053 -6.850 -0.401 295 HA LEU 39 HA LEU 39 -6.454 -8.512 1.118 296 1HB LEU 39 2HB LEU 39 -8.423 -7.377 1.939 297 2HB LEU 39 3HB LEU 39 -9.499 -8.456 1.053 298 HG LEU 39 HG LEU 39 -7.493 -9.775 2.858 299 1HD1 LEU 39 1HD1 LEU 39 -8.812 -9.396 4.889 300 2HD1 LEU 39 2HD1 LEU 39 -8.127 -7.887 4.273 301 3HD1 LEU 39 3HD1 LEU 39 -9.854 -8.253 4.018 302 1HD2 LEU 39 1HD2 LEU 39 -9.264 -11.087 1.635 303 2HD2 LEU 39 2HD2 LEU 39 -9.409 -11.232 3.389 304 3HD2 LEU 39 3HD2 LEU 39 -10.505 -10.161 2.495 305 H ALA 40 H ALA 40 -8.503 -9.426 -1.585 306 HA ALA 40 HA ALA 40 -8.802 -12.209 -1.207 307 1HB ALA 40 1HB ALA 40 -8.349 -10.650 -3.790 308 2HB ALA 40 2HB ALA 40 -9.024 -12.286 -3.662 309 3HB ALA 40 3HB ALA 40 -9.924 -10.908 -2.994 310 H THR 41 H THR 41 -6.019 -10.295 -2.212 311 HA THR 41 HA THR 41 -4.329 -12.741 -2.419 312 HB THR 41 HB THR 41 -4.712 -11.876 -4.629 313 HG1 THR 41 1HG THR 41 -2.201 -11.219 -3.528 314 1HG2 THR 41 1HG2 THR 41 -4.218 -9.638 -5.349 315 2HG2 THR 41 2HG2 THR 41 -5.559 -9.719 -4.230 316 3HG2 THR 41 3HG2 THR 41 -3.981 -9.132 -3.646 317 H ASN 42 H ASN 42 -5.127 -10.734 -0.241 318 HA ASN 42 HA ASN 42 -4.278 -9.197 1.215 319 1HB ASN 42 2HB ASN 42 -2.336 -11.526 1.313 320 2HB ASN 42 3HB ASN 42 -2.330 -10.230 2.513 321 1HD2 ASN 42 1HD2 ASN 42 -4.269 -9.808 3.808 322 2HD2 ASN 42 2HD2 ASN 42 -5.348 -11.159 4.125 323 H LYS 43 H LYS 43 -3.648 -8.109 -1.246 324 HA LYS 43 HA LYS 43 -0.988 -6.945 -0.653 325 1HB LYS 43 2HB LYS 43 -0.166 -8.393 -2.181 326 2HB LYS 43 3HB LYS 43 -1.683 -8.597 -3.012 327 1HG LYS 43 2HG LYS 43 -0.152 -6.041 -3.415 328 2HG LYS 43 3HG LYS 43 0.298 -7.510 -4.236 329 1HD LYS 43 2HD LYS 43 -2.598 -6.527 -4.320 330 2HD LYS 43 3HD LYS 43 -1.370 -5.918 -5.435 331 1HE LYS 43 2HE LYS 43 -2.202 -8.804 -5.076 332 2HE LYS 43 3HE LYS 43 -2.728 -7.742 -6.389 333 1HZ LYS 43 1HZ LYS 43 -0.386 -7.606 -7.089 334 2HZ LYS 43 2HZ LYS 43 0.030 -8.768 -5.977 335 3HZ LYS 43 3HZ LYS 43 -0.916 -9.170 -7.144 336 H ALA 44 H ALA 44 -0.557 -4.970 -1.280 337 HA ALA 44 HA ALA 44 -2.793 -3.229 -2.219 338 1HB ALA 44 1HB ALA 44 -1.732 -2.591 -0.055 339 2HB ALA 44 2HB ALA 44 -0.181 -2.439 -0.904 340 3HB ALA 44 3HB ALA 44 -1.545 -1.390 -1.342 341 H HIS 45 H HIS 45 -2.785 -3.126 -4.333 342 HA HIS 45 HA HIS 45 -0.287 -2.853 -5.973 343 1HB HIS 45 2HB HIS 45 -2.259 -4.277 -6.732 344 2HB HIS 45 3HB HIS 45 -3.216 -2.797 -6.769 345 HD1 HIS 45 1HD HIS 45 -1.150 -4.857 -8.966 346 HD2 HIS 45 2HD HIS 45 -1.584 -0.776 -8.240 347 HE1 HIS 45 1HE HIS 45 -0.310 -3.673 -11.066 348 H ILE 46 H ILE 46 0.633 -0.968 -5.625 349 HA ILE 46 HA ILE 46 -1.056 1.420 -5.220 350 HB ILE 46 HB ILE 46 1.733 0.941 -4.156 351 1HG1 ILE 46 2HG1 ILE 46 -1.016 0.547 -2.914 352 2HG1 ILE 46 3HG1 ILE 46 0.275 -0.655 -3.100 353 1HG2 ILE 46 1HG2 ILE 46 1.325 2.980 -2.912 354 2HG2 ILE 46 2HG2 ILE 46 0.935 3.331 -4.592 355 3HG2 ILE 46 3HG2 ILE 46 -0.374 3.011 -3.440 356 1HD1 ILE 46 1HD1 ILE 46 1.708 0.625 -1.580 357 2HD1 ILE 46 2HD1 ILE 46 0.354 1.764 -1.296 358 3HD1 ILE 46 3HD1 ILE 46 0.204 0.068 -0.814 359 H LYS 47 H LYS 47 -1.129 2.417 -7.113 360 HA LYS 47 HA LYS 47 1.181 2.477 -8.976 361 1HB LYS 47 2HB LYS 47 -1.584 3.639 -8.928 362 2HB LYS 47 3HB LYS 47 -0.449 4.007 -10.220 363 1HG LYS 47 2HG LYS 47 -1.480 1.224 -9.462 364 2HG LYS 47 3HG LYS 47 -2.141 2.198 -10.770 365 1HD LYS 47 2HD LYS 47 0.754 1.218 -10.669 366 2HD LYS 47 3HD LYS 47 -0.558 0.388 -11.495 367 1HE LYS 47 2HE LYS 47 -0.895 2.166 -13.062 368 2HE LYS 47 3HE LYS 47 0.122 3.294 -12.162 369 1HZ LYS 47 1HZ LYS 47 1.179 0.878 -13.432 370 2HZ LYS 47 2HZ LYS 47 1.137 2.390 -14.077 371 3HZ LYS 47 3HZ LYS 47 2.027 2.118 -12.705 372 H TYR 48 H TYR 48 2.575 3.334 -7.376 373 HA TYR 48 HA TYR 48 2.144 6.103 -6.499 374 1HB TYR 48 2HB TYR 48 3.897 5.827 -5.065 375 2HB TYR 48 3HB TYR 48 3.165 4.230 -5.069 376 HD1 TYR 48 HD1 TYR 48 4.541 3.299 -7.819 377 HD2 TYR 48 HD2 TYR 48 6.003 5.226 -4.239 378 HE1 TYR 48 HE1 TYR 48 6.770 2.308 -8.175 379 HE2 TYR 48 HE2 TYR 48 8.201 4.205 -4.601 380 HH TYR 48 HH TYR 48 9.473 2.795 -5.917 381 H ASP 49 H ASP 49 3.807 7.736 -6.724 382 HA ASP 49 HA ASP 49 5.109 7.702 -9.412 383 1HB ASP 49 2HB ASP 49 3.474 9.434 -9.044 384 2HB ASP 49 3HB ASP 49 4.318 9.950 -7.579 385 HA PRO 50 HA PRO 50 8.516 6.936 -6.473 386 1HB PRO 50 2HB PRO 50 10.332 5.724 -8.121 387 2HB PRO 50 3HB PRO 50 8.793 4.976 -7.667 388 1HG PRO 50 2HG PRO 50 9.317 6.589 -10.172 389 2HG PRO 50 3HG PRO 50 8.682 4.915 -10.069 390 1HD PRO 50 2HD PRO 50 6.991 6.992 -10.269 391 2HD PRO 50 3HD PRO 50 6.637 5.672 -9.095 392 H GLU 51 H GLU 51 8.385 9.496 -6.793 393 HA GLU 51 HA GLU 51 11.175 10.155 -6.511 394 1HB GLU 51 2HB GLU 51 11.263 12.125 -7.992 395 2HB GLU 51 3HB GLU 51 11.209 10.590 -8.856 396 1HG GLU 51 2HG GLU 51 8.870 10.932 -9.456 397 2HG GLU 51 3HG GLU 51 8.793 12.406 -8.474 398 H ILE 52 H ILE 52 7.808 11.350 -6.554 399 HA ILE 52 HA ILE 52 8.387 13.463 -4.623 400 HB ILE 52 HB ILE 52 5.898 13.650 -4.579 401 1HG1 ILE 52 2HG1 ILE 52 5.903 11.665 -6.891 402 2HG1 ILE 52 3HG1 ILE 52 5.423 11.259 -5.241 403 1HG2 ILE 52 1HG2 ILE 52 7.431 14.933 -6.129 404 2HG2 ILE 52 2HG2 ILE 52 7.091 13.718 -7.381 405 3HG2 ILE 52 3HG2 ILE 52 5.789 14.746 -6.750 406 1HD1 ILE 52 1HD1 ILE 52 3.680 13.095 -5.374 407 2HD1 ILE 52 2HD1 ILE 52 4.113 13.313 -7.087 408 3HD1 ILE 52 3HD1 ILE 52 3.434 11.783 -6.544 409 H ILE 53 H ILE 53 7.987 10.049 -4.525 410 HA ILE 53 HA ILE 53 8.069 10.183 -1.639 411 HB ILE 53 HB ILE 53 5.610 10.082 -2.397 412 1HG1 ILE 53 2HG1 ILE 53 6.513 7.718 -0.754 413 2HG1 ILE 53 3HG1 ILE 53 6.601 9.420 -0.229 414 1HG2 ILE 53 1HG2 ILE 53 6.317 7.196 -3.110 415 2HG2 ILE 53 2HG2 ILE 53 4.716 7.923 -3.172 416 3HG2 ILE 53 3HG2 ILE 53 5.958 8.483 -4.300 417 1HD1 ILE 53 1HD1 ILE 53 4.568 8.342 0.652 418 2HD1 ILE 53 2HD1 ILE 53 4.183 9.665 -0.464 419 3HD1 ILE 53 3HD1 ILE 53 4.027 7.976 -0.997 420 H GLY 54 H GLY 54 9.162 8.307 -0.758 421 1HA GLY 54 2HA GLY 54 10.511 6.618 -2.786 422 2HA GLY 54 1HA GLY 54 10.863 6.747 -1.055 423 HA PRO 55 HA PRO 55 7.476 3.423 -2.042 424 1HB PRO 55 2HB PRO 55 9.054 1.110 -2.092 425 2HB PRO 55 3HB PRO 55 8.434 1.971 -3.519 426 1HG PRO 55 2HG PRO 55 11.182 2.083 -2.334 427 2HG PRO 55 3HG PRO 55 10.696 2.176 -4.051 428 1HD PRO 55 2HD PRO 55 11.407 4.361 -2.500 429 2HD PRO 55 3HD PRO 55 10.326 4.476 -3.907 430 H ARG 56 H ARG 56 10.547 3.140 -0.302 431 HA ARG 56 HA ARG 56 9.930 1.948 2.071 432 1HB ARG 56 2HB ARG 56 11.654 3.395 3.095 433 2HB ARG 56 3HB ARG 56 12.113 2.667 1.561 434 1HG ARG 56 2HG ARG 56 12.918 4.752 1.140 435 2HG ARG 56 3HG ARG 56 11.286 5.002 0.551 436 1HD ARG 56 2HD ARG 56 11.652 6.878 1.844 437 2HD ARG 56 3HD ARG 56 10.753 5.850 2.966 438 HE ARG 56 HE ARG 56 13.498 5.333 3.345 439 1HH1 ARG 56 2HH2 ARG 56 11.120 7.944 3.809 440 2HH1 ARG 56 1HH2 ARG 56 12.017 8.748 5.049 441 1HH2 ARG 56 2HH1 ARG 56 14.688 6.373 5.044 442 2HH2 ARG 56 1HH1 ARG 56 14.072 7.810 5.793 443 H ASP 57 H ASP 57 8.840 5.283 1.148 444 HA ASP 57 HA ASP 57 8.070 5.950 3.863 445 1HB ASP 57 2HB ASP 57 7.152 7.161 1.241 446 2HB ASP 57 3HB ASP 57 6.958 7.868 2.844 447 H ILE 58 H ILE 58 6.467 4.590 0.988 448 HA ILE 58 HA ILE 58 3.797 4.607 2.140 449 HB ILE 58 HB ILE 58 5.059 3.160 -0.210 450 1HG1 ILE 58 2HG1 ILE 58 2.690 5.007 -0.360 451 2HG1 ILE 58 3HG1 ILE 58 4.259 5.750 -0.003 452 1HG2 ILE 58 1HG2 ILE 58 2.724 2.492 -0.796 453 2HG2 ILE 58 2HG2 ILE 58 3.403 1.607 0.575 454 3HG2 ILE 58 3HG2 ILE 58 2.230 2.914 0.856 455 1HD1 ILE 58 1HD1 ILE 58 3.749 3.930 -2.379 456 2HD1 ILE 58 2HD1 ILE 58 3.826 5.707 -2.419 457 3HD1 ILE 58 3HD1 ILE 58 5.266 4.767 -1.963 458 H ILE 59 H ILE 59 6.409 2.162 1.806 459 HA ILE 59 HA ILE 59 5.127 0.081 3.251 460 HB ILE 59 HB ILE 59 8.023 0.787 2.807 461 1HG1 ILE 59 2HG1 ILE 59 8.024 -1.589 1.949 462 2HG1 ILE 59 3HG1 ILE 59 6.297 -1.684 2.289 463 1HG2 ILE 59 1HG2 ILE 59 8.129 0.028 5.130 464 2HG2 ILE 59 2HG2 ILE 59 7.078 -1.355 4.752 465 3HG2 ILE 59 3HG2 ILE 59 8.713 -1.248 4.079 466 1HD1 ILE 59 1HD1 ILE 59 7.688 0.182 0.323 467 2HD1 ILE 59 2HD1 ILE 59 6.752 -1.263 -0.076 468 3HD1 ILE 59 3HD1 ILE 59 5.926 0.149 0.607 469 H HIS 60 H HIS 60 7.274 2.631 4.651 470 HA HIS 60 HA HIS 60 6.937 1.978 7.337 471 1HB HIS 60 2HB HIS 60 7.180 4.744 6.059 472 2HB HIS 60 3HB HIS 60 7.341 4.416 7.784 473 HD1 HIS 60 1HD HIS 60 9.589 5.290 5.315 474 HD2 HIS 60 2HD HIS 60 9.291 2.019 7.938 475 HE1 HIS 60 1HE HIS 60 11.960 4.362 5.600 476 H THR 61 H THR 61 4.899 4.186 5.325 477 HA THR 61 HA THR 61 3.212 4.910 7.489 478 HB THR 61 HB THR 61 2.488 4.816 4.533 479 HG1 THR 61 1HG THR 61 4.327 6.055 4.895 480 1HG2 THR 61 1HG2 THR 61 0.934 6.661 5.231 481 2HG2 THR 61 2HG2 THR 61 0.519 5.120 6.011 482 3HG2 THR 61 3HG2 THR 61 1.383 6.375 6.924 483 H ILE 62 H ILE 62 2.808 2.349 4.998 484 HA ILE 62 HA ILE 62 0.307 1.338 5.815 485 HB ILE 62 HB ILE 62 2.714 0.061 4.477 486 1HG1 ILE 62 2HG1 ILE 62 -0.046 0.980 3.564 487 2HG1 ILE 62 3HG1 ILE 62 1.474 1.819 3.263 488 1HG2 ILE 62 1HG2 ILE 62 1.469 -1.767 5.637 489 2HG2 ILE 62 2HG2 ILE 62 -0.027 -1.215 4.845 490 3HG2 ILE 62 3HG2 ILE 62 1.337 -1.852 3.899 491 1HD1 ILE 62 1HD1 ILE 62 1.095 0.682 1.251 492 2HD1 ILE 62 2HD1 ILE 62 2.252 -0.351 2.112 493 3HD1 ILE 62 3HD1 ILE 62 0.513 -0.772 2.070 494 H GLU 63 H GLU 63 3.587 0.099 6.745 495 HA GLU 63 HA GLU 63 2.536 -1.785 8.556 496 1HB GLU 63 2HB GLU 63 5.253 -0.386 8.560 497 2HB GLU 63 3HB GLU 63 4.830 -1.825 9.514 498 1HG GLU 63 2HG GLU 63 4.211 -3.013 7.411 499 2HG GLU 63 3HG GLU 63 4.779 -1.633 6.462 500 H SER 64 H SER 64 3.582 1.556 9.050 501 HA SER 64 HA SER 64 3.083 1.710 11.827 502 1HB SER 64 2HB SER 64 4.555 3.239 10.637 503 2HB SER 64 3HB SER 64 3.196 3.910 9.731 504 HG SER 64 HG SER 64 2.360 4.234 12.073 505 H LEU 65 H LEU 65 0.618 1.490 9.327 506 HA LEU 65 HA LEU 65 -1.422 2.503 11.207 507 1HB LEU 65 2HB LEU 65 -1.583 0.678 8.780 508 2HB LEU 65 3HB LEU 65 -2.924 0.914 9.887 509 HG LEU 65 HG LEU 65 -3.243 2.244 7.959 510 1HD1 LEU 65 1HD1 LEU 65 -3.707 4.386 8.948 511 2HD1 LEU 65 2HD1 LEU 65 -3.965 3.147 10.196 512 3HD1 LEU 65 3HD1 LEU 65 -2.492 4.146 10.211 513 1HD2 LEU 65 1HD2 LEU 65 -0.873 2.545 7.314 514 2HD2 LEU 65 2HD2 LEU 65 -1.824 4.029 7.217 515 3HD2 LEU 65 3HD2 LEU 65 -0.713 3.792 8.579 516 H GLY 66 H GLY 66 -1.159 -0.916 10.141 517 1HA GLY 66 2HA GLY 66 -0.203 -1.767 12.738 518 2HA GLY 66 1HA GLY 66 -1.930 -2.107 12.525 519 H PHE 67 H PHE 67 0.795 -2.205 10.138 520 HA PHE 67 HA PHE 67 0.089 -5.094 9.656 521 1HB PHE 67 2HB PHE 67 0.703 -3.023 7.538 522 2HB PHE 67 3HB PHE 67 0.190 -4.687 7.272 523 HD1 PHE 67 1HD PHE 67 -2.068 -5.206 8.873 524 HD2 PHE 67 2HD PHE 67 -1.004 -1.459 7.035 525 HE1 PHE 67 1HE PHE 67 -4.292 -4.304 9.427 526 HE2 PHE 67 2HE PHE 67 -3.275 -0.595 7.491 527 HZ PHE 67 HZ PHE 67 -4.884 -1.976 8.773 528 H GLU 68 H GLU 68 1.590 -6.207 8.236 529 HA GLU 68 HA GLU 68 4.471 -5.441 8.566 530 1HB GLU 68 2HB GLU 68 4.043 -7.418 9.909 531 2HB GLU 68 3HB GLU 68 3.022 -8.107 8.666 532 1HG GLU 68 2HG GLU 68 5.190 -8.171 7.191 533 2HG GLU 68 3HG GLU 68 6.044 -7.894 8.714 534 H ALA 69 H ALA 69 5.293 -4.937 6.538 535 HA ALA 69 HA ALA 69 3.587 -5.620 4.171 536 1HB ALA 69 1HB ALA 69 3.614 -3.231 4.771 537 2HB ALA 69 2HB ALA 69 5.390 -3.227 4.649 538 3HB ALA 69 3HB ALA 69 4.402 -3.526 3.207 539 H SER 70 H SER 70 4.634 -6.138 2.186 540 HA SER 70 HA SER 70 7.580 -6.126 2.064 541 1HB SER 70 2HB SER 70 5.948 -8.649 2.295 542 2HB SER 70 3HB SER 70 7.356 -8.649 1.235 543 HG SER 70 HG SER 70 7.468 -7.638 3.891 544 H LEU 71 H LEU 71 8.049 -5.276 0.087 545 HA LEU 71 HA LEU 71 6.243 -5.012 -2.063 546 1HB LEU 71 2HB LEU 71 8.356 -3.739 -1.436 547 2HB LEU 71 3HB LEU 71 9.309 -5.054 -2.127 548 HG LEU 71 HG LEU 71 7.106 -3.749 -3.697 549 1HD1 LEU 71 1HD1 LEU 71 8.667 -2.000 -4.520 550 2HD1 LEU 71 2HD1 LEU 71 8.398 -1.852 -2.778 551 3HD1 LEU 71 3HD1 LEU 71 9.902 -2.576 -3.379 552 1HD2 LEU 71 1HD2 LEU 71 9.829 -4.847 -4.545 553 2HD2 LEU 71 2HD2 LEU 71 8.277 -5.682 -4.746 554 3HD2 LEU 71 3HD2 LEU 71 8.592 -4.193 -5.640 555 H VAL 72 H VAL 72 5.658 -6.369 -3.672 556 HA VAL 72 HA VAL 72 7.091 -8.955 -4.041 557 HB VAL 72 HB VAL 72 4.984 -9.974 -4.549 558 1HG1 VAL 72 1HG1 VAL 72 4.052 -10.146 -2.352 559 2HG1 VAL 72 2HG1 VAL 72 5.814 -9.978 -2.216 560 3HG1 VAL 72 3HG1 VAL 72 4.759 -8.586 -1.888 561 1HG2 VAL 72 1HG2 VAL 72 3.595 -7.383 -3.756 562 2HG2 VAL 72 2HG2 VAL 72 3.697 -8.021 -5.407 563 3HG2 VAL 72 3HG2 VAL 72 2.811 -8.912 -4.163 564 H LYS 73 H LYS 73 6.814 -9.830 -6.277 565 HA LYS 73 HA LYS 73 7.285 -7.573 -8.173 566 1HB LYS 73 2HB LYS 73 7.837 -10.540 -8.464 567 2HB LYS 73 3HB LYS 73 8.334 -9.259 -9.571 568 1HG LYS 73 2HG LYS 73 9.254 -9.779 -6.717 569 2HG LYS 73 3HG LYS 73 10.229 -9.838 -8.179 570 1HD LYS 73 2HD LYS 73 9.054 -7.322 -6.865 571 2HD LYS 73 3HD LYS 73 10.732 -7.846 -6.832 572 1HE LYS 73 2HE LYS 73 10.953 -7.547 -9.260 573 2HE LYS 73 3HE LYS 73 9.239 -7.142 -9.412 574 1HZ LYS 73 1HZ LYS 73 11.209 -5.556 -7.919 575 2HZ LYS 73 2HZ LYS 73 10.573 -5.188 -9.390 576 3HZ LYS 73 3HZ LYS 73 9.604 -5.211 -8.064 577 H ILE 74 H ILE 74 5.058 -7.091 -7.888 578 HA ILE 74 HA ILE 74 3.054 -6.779 -8.827 579 HB ILE 74 HB ILE 74 3.535 -9.048 -10.796 580 1HG1 ILE 74 2HG1 ILE 74 5.215 -7.346 -11.201 581 2HG1 ILE 74 3HG1 ILE 74 3.980 -7.301 -12.450 582 1HG2 ILE 74 1HG2 ILE 74 1.184 -8.625 -10.490 583 2HG2 ILE 74 2HG2 ILE 74 1.414 -6.883 -10.701 584 3HG2 ILE 74 3HG2 ILE 74 1.709 -7.991 -12.054 585 1HD1 ILE 74 1HD1 ILE 74 4.620 -5.042 -11.821 586 2HD1 ILE 74 2HD1 ILE 74 2.941 -5.310 -11.331 587 3HD1 ILE 74 3HD1 ILE 74 4.243 -5.341 -10.121 588 H GLU 75 H GLU 75 3.562 -10.305 -8.937 589 HA GLU 75 HA GLU 75 2.041 -11.969 -8.190 590 1HB GLU 75 2HB GLU 75 3.356 -10.715 -5.775 591 2HB GLU 75 3HB GLU 75 2.721 -12.355 -5.821 592 1HG GLU 75 2HG GLU 75 4.372 -13.058 -7.443 593 2HG GLU 75 3HG GLU 75 4.931 -11.406 -7.709 Start of MODEL 28 1 1H MET 1 H1 MET 1 5.466 -0.247 -13.322 2 2H MET 1 H2 MET 1 5.063 -1.834 -13.789 3 3H MET 1 H3 MET 1 6.378 -1.514 -12.846 4 HA MET 1 HA MET 1 7.167 -2.028 -14.936 5 1HB MET 1 2HB MET 1 6.501 -0.636 -16.917 6 2HB MET 1 3HB MET 1 5.355 -1.828 -16.306 7 1HG MET 1 2HG MET 1 4.025 -0.062 -15.216 8 2HG MET 1 3HG MET 1 5.184 1.162 -15.753 9 1HE MET 1 1HE MET 1 2.347 -1.174 -18.569 10 2HE MET 1 2HE MET 1 3.821 -1.935 -17.947 11 3HE MET 1 3HE MET 1 2.508 -1.491 -16.825 12 H GLY 2 H GLY 2 8.779 -1.258 -13.372 13 1HA GLY 2 2HA GLY 2 10.458 0.192 -12.718 14 2HA GLY 2 1HA GLY 2 9.990 1.357 -13.970 15 H ASP 3 H ASP 3 7.643 2.295 -13.576 16 HA ASP 3 HA ASP 3 7.315 3.058 -10.704 17 1HB ASP 3 2HB ASP 3 6.367 5.081 -11.476 18 2HB ASP 3 3HB ASP 3 7.744 4.841 -12.552 19 H GLY 4 H GLY 4 4.786 3.881 -10.749 20 1HA GLY 4 2HA GLY 4 2.656 3.711 -11.373 21 2HA GLY 4 1HA GLY 4 3.221 2.740 -12.731 22 H VAL 5 H VAL 5 4.167 0.597 -10.608 23 HA VAL 5 HA VAL 5 1.663 -0.166 -9.336 24 HB VAL 5 HB VAL 5 0.822 -1.082 -11.160 25 1HG1 VAL 5 1HG1 VAL 5 2.076 -2.186 -12.988 26 2HG1 VAL 5 2HG1 VAL 5 2.485 -0.488 -12.806 27 3HG1 VAL 5 3HG1 VAL 5 3.590 -1.718 -12.158 28 1HG2 VAL 5 1HG2 VAL 5 2.611 -3.445 -10.500 29 2HG2 VAL 5 2HG2 VAL 5 1.236 -2.932 -9.494 30 3HG2 VAL 5 3HG2 VAL 5 0.982 -3.447 -11.175 31 H LEU 6 H LEU 6 2.492 -0.274 -7.433 32 HA LEU 6 HA LEU 6 4.760 -2.089 -6.776 33 1HB LEU 6 2HB LEU 6 4.808 0.339 -6.143 34 2HB LEU 6 3HB LEU 6 3.340 0.055 -5.200 35 HG LEU 6 HG LEU 6 5.272 0.211 -3.767 36 1HD1 LEU 6 1HD1 LEU 6 4.487 -2.710 -3.743 37 2HD1 LEU 6 2HD1 LEU 6 5.104 -1.707 -2.424 38 3HD1 LEU 6 3HD1 LEU 6 3.497 -1.382 -3.081 39 1HD2 LEU 6 1HD2 LEU 6 6.500 -2.162 -5.170 40 2HD2 LEU 6 2HD2 LEU 6 6.982 -0.461 -5.417 41 3HD2 LEU 6 3HD2 LEU 6 7.181 -1.215 -3.835 42 H GLU 7 H GLU 7 3.781 -4.093 -6.713 43 HA GLU 7 HA GLU 7 1.346 -4.388 -5.054 44 1HB GLU 7 2HB GLU 7 2.586 -6.629 -6.602 45 2HB GLU 7 3HB GLU 7 0.993 -6.492 -5.844 46 1HG GLU 7 2HG GLU 7 0.697 -4.366 -7.358 47 2HG GLU 7 3HG GLU 7 2.165 -4.976 -8.122 48 H LEU 8 H LEU 8 1.838 -4.408 -2.990 49 HA LEU 8 HA LEU 8 3.995 -6.258 -2.118 50 1HB LEU 8 2HB LEU 8 3.863 -5.169 0.105 51 2HB LEU 8 3HB LEU 8 4.463 -4.181 -1.218 52 HG LEU 8 HG LEU 8 2.143 -3.093 -1.357 53 1HD1 LEU 8 1HD1 LEU 8 0.787 -4.655 0.001 54 2HD1 LEU 8 2HD1 LEU 8 1.931 -4.519 1.341 55 3HD1 LEU 8 3HD1 LEU 8 0.929 -3.137 0.880 56 1HD2 LEU 8 1HD2 LEU 8 2.686 -1.524 0.337 57 2HD2 LEU 8 2HD2 LEU 8 3.723 -2.688 1.198 58 3HD2 LEU 8 3HD2 LEU 8 4.187 -2.067 -0.396 59 H VAL 9 H VAL 9 3.494 -7.885 -0.676 60 HA VAL 9 HA VAL 9 0.679 -8.598 -0.335 61 HB VAL 9 HB VAL 9 2.316 -10.378 -0.824 62 1HG1 VAL 9 1HG1 VAL 9 3.815 -11.201 0.921 63 2HG1 VAL 9 2HG1 VAL 9 4.241 -9.538 0.508 64 3HG1 VAL 9 3HG1 VAL 9 3.353 -9.879 2.007 65 1HG2 VAL 9 1HG2 VAL 9 1.492 -11.955 0.873 66 2HG2 VAL 9 2HG2 VAL 9 0.876 -10.606 1.846 67 3HG2 VAL 9 3HG2 VAL 9 0.204 -10.932 0.230 68 H VAL 10 H VAL 10 -0.261 -8.424 1.793 69 HA VAL 10 HA VAL 10 1.278 -6.961 3.857 70 HB VAL 10 HB VAL 10 0.173 -5.249 2.577 71 1HG1 VAL 10 1HG1 VAL 10 -2.421 -6.750 2.997 72 2HG1 VAL 10 2HG1 VAL 10 -2.275 -5.101 2.361 73 3HG1 VAL 10 3HG1 VAL 10 -1.597 -6.456 1.453 74 1HG2 VAL 10 1HG2 VAL 10 -1.356 -5.689 5.164 75 2HG2 VAL 10 2HG2 VAL 10 0.276 -4.994 5.029 76 3HG2 VAL 10 3HG2 VAL 10 -1.109 -4.154 4.314 77 H ARG 11 H ARG 11 0.733 -7.545 5.950 78 HA ARG 11 HA ARG 11 -1.516 -9.475 6.307 79 1HB ARG 11 2HB ARG 11 -0.087 -10.863 7.713 80 2HB ARG 11 3HB ARG 11 0.452 -10.854 6.027 81 1HG ARG 11 2HG ARG 11 2.273 -9.364 6.542 82 2HG ARG 11 3HG ARG 11 1.678 -9.100 8.196 83 1HD ARG 11 2HD ARG 11 2.574 -11.820 7.161 84 2HD ARG 11 3HD ARG 11 3.636 -10.668 7.965 85 HE ARG 11 HE ARG 11 1.142 -11.353 9.384 86 1HH1 ARG 11 2HH2 ARG 11 4.619 -11.332 9.663 87 2HH1 ARG 11 1HH2 ARG 11 4.739 -12.662 10.736 88 1HH2 ARG 11 2HH1 ARG 11 1.243 -12.601 11.296 89 2HH2 ARG 11 1HH1 ARG 11 2.780 -13.062 11.951 90 H GLY 12 H GLY 12 -2.308 -9.654 8.420 91 1HA GLY 12 2HA GLY 12 -2.417 -8.919 10.717 92 2HA GLY 12 1HA GLY 12 -1.739 -7.355 10.259 93 H MET 13 H MET 13 -3.520 -7.644 7.681 94 HA MET 13 HA MET 13 -5.785 -6.145 8.635 95 1HB MET 13 2HB MET 13 -5.556 -7.626 5.997 96 2HB MET 13 3HB MET 13 -6.540 -6.199 6.365 97 1HG MET 13 2HG MET 13 -4.318 -4.964 6.766 98 2HG MET 13 3HG MET 13 -3.526 -6.375 6.049 99 1HE MET 13 1HE MET 13 -4.516 -7.368 3.657 100 2HE MET 13 2HE MET 13 -6.206 -6.839 3.863 101 3HE MET 13 3HE MET 13 -5.276 -6.290 2.454 102 H THR 14 H THR 14 -7.974 -6.874 8.827 103 HA THR 14 HA THR 14 -8.557 -9.723 8.258 104 HB THR 14 HB THR 14 -7.612 -9.745 10.519 105 HG1 THR 14 1HG THR 14 -10.374 -10.216 10.242 106 1HG2 THR 14 1HG2 THR 14 -8.774 -8.669 12.392 107 2HG2 THR 14 2HG2 THR 14 -8.153 -7.454 11.266 108 3HG2 THR 14 3HG2 THR 14 -9.887 -7.856 11.280 109 H CYS 15 H CYS 15 -9.565 -6.732 7.553 110 HA CYS 15 HA CYS 15 -12.300 -7.463 7.161 111 1HB CYS 15 2HB CYS 15 -12.546 -7.180 9.578 112 2HB CYS 15 3HB CYS 15 -11.641 -5.664 9.539 113 HG CYS 15 HG CYS 15 -14.524 -6.410 8.101 114 H ALA 16 H ALA 16 -13.403 -5.853 5.963 115 HA ALA 16 HA ALA 16 -12.164 -4.317 4.083 116 1HB ALA 16 1HB ALA 16 -14.844 -3.798 5.416 117 2HB ALA 16 2HB ALA 16 -14.321 -3.170 3.839 118 3HB ALA 16 3HB ALA 16 -14.532 -4.917 4.067 119 H SER 17 H SER 17 -12.965 -3.348 7.377 120 HA SER 17 HA SER 17 -12.358 -0.612 7.396 121 1HB SER 17 2HB SER 17 -11.755 -1.034 9.751 122 2HB SER 17 3HB SER 17 -13.264 -1.841 9.267 123 HG SER 17 HG SER 17 -11.783 -3.700 8.730 124 H CYS 18 H CYS 18 -9.990 -3.119 8.422 125 HA CYS 18 HA CYS 18 -7.629 -1.696 8.473 126 1HB CYS 18 2HB CYS 18 -8.101 -4.535 7.422 127 2HB CYS 18 3HB CYS 18 -6.509 -3.850 7.771 128 HG CYS 18 HG CYS 18 -9.031 -4.040 9.898 129 H VAL 19 H VAL 19 -9.111 -3.361 5.710 130 HA VAL 19 HA VAL 19 -7.324 -2.697 3.753 131 HB VAL 19 HB VAL 19 -10.256 -3.301 3.768 132 1HG1 VAL 19 1HG1 VAL 19 -10.204 -3.531 1.283 133 2HG1 VAL 19 2HG1 VAL 19 -10.267 -1.881 1.897 134 3HG1 VAL 19 3HG1 VAL 19 -8.730 -2.534 1.285 135 1HG2 VAL 19 1HG2 VAL 19 -9.525 -5.337 2.655 136 2HG2 VAL 19 2HG2 VAL 19 -7.837 -4.775 2.731 137 3HG2 VAL 19 3HG2 VAL 19 -8.733 -5.107 4.225 138 H HIS 20 H HIS 20 -10.424 -0.893 4.308 139 HA HIS 20 HA HIS 20 -9.644 1.019 2.455 140 1HB HIS 20 2HB HIS 20 -11.555 2.055 2.539 141 2HB HIS 20 3HB HIS 20 -11.978 0.427 3.040 142 HD1 HIS 20 1HD HIS 20 -13.916 2.818 3.596 143 HD2 HIS 20 2HD HIS 20 -10.944 1.506 6.216 144 HE1 HIS 20 1HE HIS 20 -14.573 3.622 5.941 145 H LYS 21 H LYS 21 -9.027 0.806 5.848 146 HA LYS 21 HA LYS 21 -8.391 3.508 6.463 147 1HB LYS 21 2HB LYS 21 -8.884 1.850 8.170 148 2HB LYS 21 3HB LYS 21 -7.511 0.853 7.672 149 1HG LYS 21 2HG LYS 21 -5.937 2.588 8.397 150 2HG LYS 21 3HG LYS 21 -7.297 3.646 8.849 151 1HD LYS 21 2HD LYS 21 -8.022 2.036 10.564 152 2HD LYS 21 3HD LYS 21 -6.890 0.827 9.962 153 1HE LYS 21 2HE LYS 21 -6.035 1.773 12.029 154 2HE LYS 21 3HE LYS 21 -4.957 2.136 10.679 155 1HZ LYS 21 1HZ LYS 21 -5.898 4.349 10.607 156 2HZ LYS 21 2HZ LYS 21 -6.925 3.999 11.849 157 3HZ LYS 21 3HZ LYS 21 -5.302 4.027 12.105 158 H ILE 22 H ILE 22 -6.344 0.681 5.539 159 HA ILE 22 HA ILE 22 -3.863 2.080 5.273 160 HB ILE 22 HB ILE 22 -5.004 -0.262 3.665 161 1HG1 ILE 22 2HG1 ILE 22 -2.960 -0.213 5.876 162 2HG1 ILE 22 3HG1 ILE 22 -4.658 -0.570 6.180 163 1HG2 ILE 22 1HG2 ILE 22 -2.148 0.793 3.861 164 2HG2 ILE 22 2HG2 ILE 22 -2.633 -0.682 3.003 165 3HG2 ILE 22 3HG2 ILE 22 -3.164 0.877 2.414 166 1HD1 ILE 22 1HD1 ILE 22 -4.635 -2.404 4.608 167 2HD1 ILE 22 2HD1 ILE 22 -2.858 -2.283 4.459 168 3HD1 ILE 22 3HD1 ILE 22 -3.603 -2.682 6.012 169 H GLU 23 H GLU 23 -6.285 1.240 2.756 170 HA GLU 23 HA GLU 23 -4.638 2.436 0.837 171 1HB GLU 23 2HB GLU 23 -6.141 1.516 -0.700 172 2HB GLU 23 3HB GLU 23 -6.386 0.570 0.787 173 1HG GLU 23 2HG GLU 23 -8.222 1.916 1.373 174 2HG GLU 23 3HG GLU 23 -8.243 2.652 -0.243 175 H SER 24 H SER 24 -7.577 3.720 2.389 176 HA SER 24 HA SER 24 -7.706 6.201 1.010 177 1HB SER 24 2HB SER 24 -9.514 5.275 2.394 178 2HB SER 24 3HB SER 24 -8.571 5.558 3.869 179 HG SER 24 HG SER 24 -10.083 7.247 3.325 180 H SER 25 H SER 25 -5.862 5.184 3.959 181 HA SER 25 HA SER 25 -4.884 7.795 4.589 182 1HB SER 25 2HB SER 25 -4.849 5.900 6.167 183 2HB SER 25 3HB SER 25 -3.615 5.089 5.174 184 HG SER 25 HG SER 25 -2.596 6.246 6.801 185 H LEU 26 H LEU 26 -3.495 5.086 2.657 186 HA LEU 26 HA LEU 26 -1.069 6.355 1.983 187 1HB LEU 26 2HB LEU 26 -2.735 4.205 0.697 188 2HB LEU 26 3HB LEU 26 -1.337 4.882 -0.154 189 HG LEU 26 HG LEU 26 0.213 4.258 1.470 190 1HD1 LEU 26 1HD1 LEU 26 -1.917 3.066 3.261 191 2HD1 LEU 26 2HD1 LEU 26 -0.178 3.128 3.531 192 3HD1 LEU 26 3HD1 LEU 26 -1.117 4.618 3.581 193 1HD2 LEU 26 1HD2 LEU 26 -0.180 1.757 1.471 194 2HD2 LEU 26 2HD2 LEU 26 -1.837 2.068 0.929 195 3HD2 LEU 26 3HD2 LEU 26 -0.473 2.535 -0.104 196 H THR 27 H THR 27 -4.264 6.574 0.213 197 HA THR 27 HA THR 27 -3.164 8.221 -1.833 198 HB THR 27 HB THR 27 -5.689 8.953 -1.989 199 HG1 THR 27 1HG THR 27 -6.013 7.914 0.230 200 1HG2 THR 27 1HG2 THR 27 -6.168 6.766 -3.103 201 2HG2 THR 27 2HG2 THR 27 -4.600 7.451 -3.571 202 3HG2 THR 27 3HG2 THR 27 -4.669 6.115 -2.402 203 H LYS 28 H LYS 28 -3.367 9.120 1.442 204 HA LYS 28 HA LYS 28 -3.841 11.959 1.064 205 1HB LYS 28 2HB LYS 28 -2.223 10.473 3.156 206 2HB LYS 28 3HB LYS 28 -2.756 12.136 3.274 207 1HG LYS 28 2HG LYS 28 -4.826 9.935 2.890 208 2HG LYS 28 3HG LYS 28 -4.070 10.115 4.452 209 1HD LYS 28 2HD LYS 28 -5.455 12.391 2.943 210 2HD LYS 28 3HD LYS 28 -6.298 11.296 4.051 211 1HE LYS 28 2HE LYS 28 -4.773 11.974 5.910 212 2HE LYS 28 3HE LYS 28 -3.970 13.129 4.837 213 1HZ LYS 28 1HZ LYS 28 -6.057 14.279 4.600 214 2HZ LYS 28 2HZ LYS 28 -6.807 13.213 5.608 215 3HZ LYS 28 3HZ LYS 28 -5.613 14.188 6.180 216 H HIS 29 H HIS 29 -1.117 9.739 0.591 217 HA HIS 29 HA HIS 29 1.019 11.636 0.818 218 1HB HIS 29 2HB HIS 29 0.806 9.019 -0.691 219 2HB HIS 29 3HB HIS 29 2.299 9.930 -0.435 220 HD1 HIS 29 1HD HIS 29 3.673 8.349 0.996 221 HD2 HIS 29 2HD HIS 29 -0.296 8.784 2.270 222 HE1 HIS 29 1HE HIS 29 3.323 6.684 2.866 223 H ARG 30 H ARG 30 1.501 13.237 -0.583 224 HA ARG 30 HA ARG 30 -0.215 13.627 -2.827 225 1HB ARG 30 2HB ARG 30 0.634 15.301 -1.058 226 2HB ARG 30 3HB ARG 30 2.132 15.379 -1.998 227 1HG ARG 30 2HG ARG 30 0.732 16.133 -3.985 228 2HG ARG 30 3HG ARG 30 -0.690 16.092 -2.930 229 1HD ARG 30 2HD ARG 30 0.503 17.767 -1.406 230 2HD ARG 30 3HD ARG 30 1.846 17.754 -2.539 231 HE ARG 30 HE ARG 30 0.748 19.119 -3.976 232 1HH1 ARG 30 2HH2 ARG 30 -1.602 17.796 -1.727 233 2HH1 ARG 30 1HH2 ARG 30 -2.890 18.888 -2.141 234 1HH2 ARG 30 2HH1 ARG 30 -0.931 20.590 -4.594 235 2HH2 ARG 30 1HH1 ARG 30 -2.490 20.508 -3.844 236 H GLY 31 H GLY 31 1.257 11.446 -3.498 237 1HA GLY 31 2HA GLY 31 1.807 12.225 -6.202 238 2HA GLY 31 1HA GLY 31 3.299 11.671 -5.429 239 H ILE 32 H ILE 32 0.217 10.336 -4.334 240 HA ILE 32 HA ILE 32 0.806 7.763 -5.679 241 HB ILE 32 HB ILE 32 -0.811 8.465 -3.210 242 1HG1 ILE 32 2HG1 ILE 32 1.819 7.042 -3.724 243 2HG1 ILE 32 3HG1 ILE 32 1.447 8.441 -2.707 244 1HG2 ILE 32 1HG2 ILE 32 -1.294 6.034 -3.030 245 2HG2 ILE 32 2HG2 ILE 32 -1.988 6.695 -4.496 246 3HG2 ILE 32 3HG2 ILE 32 -0.467 5.766 -4.578 247 1HD1 ILE 32 1HD1 ILE 32 0.786 5.537 -2.213 248 2HD1 ILE 32 2HD1 ILE 32 1.766 6.651 -1.220 249 3HD1 ILE 32 3HD1 ILE 32 0.007 6.853 -1.325 250 H LEU 33 H LEU 33 -0.653 6.861 -6.989 251 HA LEU 33 HA LEU 33 -2.790 8.671 -7.966 252 1HB LEU 33 2HB LEU 33 -1.263 6.472 -9.422 253 2HB LEU 33 3HB LEU 33 -2.433 7.579 -10.143 254 HG LEU 33 HG LEU 33 0.245 8.425 -8.926 255 1HD1 LEU 33 1HD1 LEU 33 -0.586 8.108 -11.835 256 2HD1 LEU 33 2HD1 LEU 33 0.967 8.743 -11.247 257 3HD1 LEU 33 3HD1 LEU 33 0.535 7.052 -10.946 258 1HD2 LEU 33 1HD2 LEU 33 -1.823 9.986 -10.536 259 2HD2 LEU 33 2HD2 LEU 33 -1.389 10.256 -8.831 260 3HD2 LEU 33 3HD2 LEU 33 -0.202 10.569 -10.102 261 H TYR 34 H TYR 34 -2.143 5.231 -6.933 262 HA TYR 34 HA TYR 34 -5.034 4.982 -6.709 263 1HB TYR 34 2HB TYR 34 -4.367 4.474 -9.170 264 2HB TYR 34 3HB TYR 34 -3.490 3.092 -8.504 265 HD1 TYR 34 HD1 TYR 34 -4.604 1.039 -8.225 266 HD2 TYR 34 HD2 TYR 34 -6.866 4.704 -8.442 267 HE1 TYR 34 HE1 TYR 34 -6.684 -0.239 -8.031 268 HE2 TYR 34 HE2 TYR 34 -8.943 3.444 -8.100 269 HH TYR 34 HH TYR 34 -8.922 -0.002 -7.302 270 H CYS 35 H CYS 35 -5.631 3.004 -5.664 271 HA CYS 35 HA CYS 35 -3.694 1.316 -4.246 272 1HB CYS 35 2HB CYS 35 -4.394 2.028 -2.068 273 2HB CYS 35 3HB CYS 35 -3.761 3.447 -2.914 274 HG CYS 35 HG CYS 35 -5.777 4.243 -1.526 275 H SER 36 H SER 36 -4.708 -0.572 -3.815 276 HA SER 36 HA SER 36 -7.555 -0.802 -3.424 277 1HB SER 36 2HB SER 36 -6.312 -1.978 -5.941 278 2HB SER 36 3HB SER 36 -7.761 -2.662 -5.180 279 HG SER 36 HG SER 36 -7.762 0.086 -5.546 280 H VAL 37 H VAL 37 -6.926 -1.505 -1.422 281 HA VAL 37 HA VAL 37 -4.772 -3.527 -1.204 282 HB VAL 37 HB VAL 37 -6.438 -2.031 0.886 283 1HG1 VAL 37 1HG1 VAL 37 -4.498 -2.628 2.368 284 2HG1 VAL 37 2HG1 VAL 37 -5.459 -4.031 1.865 285 3HG1 VAL 37 3HG1 VAL 37 -3.897 -3.689 1.077 286 1HG2 VAL 37 1HG2 VAL 37 -3.571 -1.509 0.018 287 2HG2 VAL 37 2HG2 VAL 37 -4.930 -0.549 -0.565 288 3HG2 VAL 37 3HG2 VAL 37 -4.528 -0.585 1.163 289 H ALA 38 H ALA 38 -5.881 -5.161 -2.403 290 HA ALA 38 HA ALA 38 -8.515 -6.035 -1.501 291 1HB ALA 38 1HB ALA 38 -6.597 -7.047 -3.609 292 2HB ALA 38 2HB ALA 38 -8.225 -7.714 -3.303 293 3HB ALA 38 3HB ALA 38 -8.030 -6.035 -3.844 294 H LEU 39 H LEU 39 -8.126 -6.600 0.637 295 HA LEU 39 HA LEU 39 -6.544 -8.499 1.809 296 1HB LEU 39 2HB LEU 39 -8.322 -7.267 2.890 297 2HB LEU 39 3HB LEU 39 -9.573 -8.226 2.099 298 HG LEU 39 HG LEU 39 -7.463 -9.609 3.786 299 1HD1 LEU 39 1HD1 LEU 39 -8.179 -7.706 5.177 300 2HD1 LEU 39 2HD1 LEU 39 -9.883 -8.127 4.902 301 3HD1 LEU 39 3HD1 LEU 39 -8.824 -9.227 5.812 302 1HD2 LEU 39 1HD2 LEU 39 -9.373 -11.086 4.372 303 2HD2 LEU 39 2HD2 LEU 39 -10.465 -10.082 3.403 304 3HD2 LEU 39 3HD2 LEU 39 -9.183 -11.023 2.623 305 H ALA 40 H ALA 40 -9.113 -9.140 -0.548 306 HA ALA 40 HA ALA 40 -9.401 -11.927 -0.299 307 1HB ALA 40 1HB ALA 40 -10.129 -11.852 -2.651 308 2HB ALA 40 2HB ALA 40 -10.821 -10.498 -1.732 309 3HB ALA 40 3HB ALA 40 -9.444 -10.225 -2.827 310 H THR 41 H THR 41 -6.784 -10.053 -1.746 311 HA THR 41 HA THR 41 -5.325 -12.547 -2.487 312 HB THR 41 HB THR 41 -5.919 -11.497 -4.496 313 HG1 THR 41 1HG THR 41 -3.291 -11.078 -3.678 314 1HG2 THR 41 1HG2 THR 41 -6.711 -9.380 -3.809 315 2HG2 THR 41 2HG2 THR 41 -5.066 -8.826 -3.410 316 3HG2 THR 41 3HG2 THR 41 -5.535 -9.197 -5.091 317 H ASN 42 H ASN 42 -5.592 -10.650 0.002 318 HA ASN 42 HA ASN 42 -4.326 -9.385 1.417 319 1HB ASN 42 2HB ASN 42 -3.196 -12.118 1.106 320 2HB ASN 42 3HB ASN 42 -2.118 -10.999 1.920 321 1HD2 ASN 42 1HD2 ASN 42 -2.842 -9.834 3.845 322 2HD2 ASN 42 2HD2 ASN 42 -4.129 -10.558 4.811 323 H LYS 43 H LYS 43 -4.019 -8.300 -1.086 324 HA LYS 43 HA LYS 43 -1.142 -7.549 -1.140 325 1HB LYS 43 2HB LYS 43 -1.154 -8.981 -2.899 326 2HB LYS 43 3HB LYS 43 -2.846 -8.748 -3.281 327 1HG LYS 43 2HG LYS 43 -0.790 -6.590 -3.884 328 2HG LYS 43 3HG LYS 43 -1.069 -7.932 -4.958 329 1HD LYS 43 2HD LYS 43 -3.548 -6.465 -4.044 330 2HD LYS 43 3HD LYS 43 -2.490 -5.624 -5.179 331 1HE LYS 43 2HE LYS 43 -3.473 -8.451 -5.557 332 2HE LYS 43 3HE LYS 43 -4.415 -7.068 -6.118 333 1HZ LYS 43 1HZ LYS 43 -1.646 -7.538 -7.102 334 2HZ LYS 43 2HZ LYS 43 -2.999 -8.070 -7.849 335 3HZ LYS 43 3HZ LYS 43 -2.722 -6.473 -7.626 336 H ALA 44 H ALA 44 -0.646 -5.505 -2.056 337 HA ALA 44 HA ALA 44 -2.929 -3.668 -2.485 338 1HB ALA 44 1HB ALA 44 -2.024 -3.273 -0.149 339 2HB ALA 44 2HB ALA 44 -0.473 -2.852 -0.907 340 3HB ALA 44 3HB ALA 44 -1.915 -1.908 -1.294 341 H HIS 45 H HIS 45 -2.702 -3.231 -4.485 342 HA HIS 45 HA HIS 45 -0.120 -2.791 -5.980 343 1HB HIS 45 2HB HIS 45 -1.708 -4.368 -6.936 344 2HB HIS 45 3HB HIS 45 -3.050 -3.253 -6.673 345 HD1 HIS 45 1HD HIS 45 -0.865 -4.383 -9.397 346 HD2 HIS 45 2HD HIS 45 -3.125 -1.043 -8.195 347 HE1 HIS 45 1HE HIS 45 -1.632 -3.242 -11.497 348 H ILE 46 H ILE 46 0.526 -0.892 -5.098 349 HA ILE 46 HA ILE 46 -1.400 1.381 -5.119 350 HB ILE 46 HB ILE 46 1.500 1.330 -4.208 351 1HG1 ILE 46 2HG1 ILE 46 0.705 1.697 -1.974 352 2HG1 ILE 46 3HG1 ILE 46 -0.999 1.636 -2.474 353 1HG2 ILE 46 1HG2 ILE 46 1.112 3.568 -3.409 354 2HG2 ILE 46 2HG2 ILE 46 0.549 3.578 -5.077 355 3HG2 ILE 46 3HG2 ILE 46 -0.620 3.480 -3.769 356 1HD1 ILE 46 1HD1 ILE 46 -0.908 -0.655 -2.853 357 2HD1 ILE 46 2HD1 ILE 46 0.884 -0.709 -2.798 358 3HD1 ILE 46 3HD1 ILE 46 -0.057 -0.399 -1.316 359 H LYS 47 H LYS 47 -1.189 2.888 -6.784 360 HA LYS 47 HA LYS 47 1.072 2.509 -8.726 361 1HB LYS 47 2HB LYS 47 -1.619 3.755 -9.300 362 2HB LYS 47 3HB LYS 47 -0.300 3.432 -10.425 363 1HG LYS 47 2HG LYS 47 -0.584 0.927 -9.713 364 2HG LYS 47 3HG LYS 47 -2.145 1.399 -9.082 365 1HD LYS 47 2HD LYS 47 -1.149 1.793 -11.945 366 2HD LYS 47 3HD LYS 47 -2.224 0.502 -11.407 367 1HE LYS 47 2HE LYS 47 -3.955 2.160 -10.776 368 2HE LYS 47 3HE LYS 47 -2.890 3.487 -11.280 369 1HZ LYS 47 1HZ LYS 47 -2.954 2.613 -13.506 370 2HZ LYS 47 2HZ LYS 47 -3.946 1.383 -13.042 371 3HZ LYS 47 3HZ LYS 47 -4.474 2.940 -12.968 372 H TYR 48 H TYR 48 2.501 4.248 -8.701 373 HA TYR 48 HA TYR 48 1.731 6.904 -7.917 374 1HB TYR 48 2HB TYR 48 2.970 7.017 -5.853 375 2HB TYR 48 3HB TYR 48 1.774 5.733 -5.690 376 HD1 TYR 48 HD1 TYR 48 5.256 6.601 -5.429 377 HD2 TYR 48 HD2 TYR 48 2.521 3.313 -5.874 378 HE1 TYR 48 HE1 TYR 48 7.033 5.007 -4.727 379 HE2 TYR 48 HE2 TYR 48 4.099 1.929 -4.590 380 HH TYR 48 HH TYR 48 7.560 2.801 -4.367 381 H ASP 49 H ASP 49 3.738 8.263 -7.699 382 HA ASP 49 HA ASP 49 5.818 7.455 -9.647 383 1HB ASP 49 2HB ASP 49 4.913 9.627 -10.032 384 2HB ASP 49 3HB ASP 49 5.058 10.055 -8.322 385 HA PRO 50 HA PRO 50 8.164 6.457 -5.863 386 1HB PRO 50 2HB PRO 50 10.589 5.818 -7.019 387 2HB PRO 50 3HB PRO 50 9.194 4.705 -6.893 388 1HG PRO 50 2HG PRO 50 10.018 6.402 -9.244 389 2HG PRO 50 3HG PRO 50 9.514 4.691 -9.254 390 1HD PRO 50 2HD PRO 50 7.824 6.698 -9.907 391 2HD PRO 50 3HD PRO 50 7.229 5.282 -8.979 392 H GLU 51 H GLU 51 9.093 8.901 -8.326 393 HA GLU 51 HA GLU 51 11.387 9.747 -6.709 394 1HB GLU 51 2HB GLU 51 10.278 10.887 -9.295 395 2HB GLU 51 3HB GLU 51 11.888 11.167 -8.597 396 1HG GLU 51 2HG GLU 51 10.778 8.521 -9.608 397 2HG GLU 51 3HG GLU 51 12.026 9.497 -10.395 398 H ILE 52 H ILE 52 9.393 10.030 -5.166 399 HA ILE 52 HA ILE 52 9.413 12.728 -4.291 400 HB ILE 52 HB ILE 52 7.813 13.164 -5.984 401 1HG1 ILE 52 2HG1 ILE 52 7.499 14.073 -3.599 402 2HG1 ILE 52 3HG1 ILE 52 6.262 14.334 -4.826 403 1HG2 ILE 52 1HG2 ILE 52 6.042 10.901 -5.052 404 2HG2 ILE 52 2HG2 ILE 52 5.647 12.135 -6.261 405 3HG2 ILE 52 3HG2 ILE 52 6.963 11.002 -6.562 406 1HD1 ILE 52 1HD1 ILE 52 5.323 13.759 -2.607 407 2HD1 ILE 52 2HD1 ILE 52 4.815 12.663 -3.892 408 3HD1 ILE 52 3HD1 ILE 52 6.036 12.143 -2.714 409 H ILE 53 H ILE 53 7.655 9.650 -4.295 410 HA ILE 53 HA ILE 53 7.241 9.796 -1.348 411 HB ILE 53 HB ILE 53 5.817 8.766 -3.700 412 1HG1 ILE 53 2HG1 ILE 53 4.325 8.669 -1.198 413 2HG1 ILE 53 3HG1 ILE 53 5.094 10.242 -1.370 414 1HG2 ILE 53 1HG2 ILE 53 6.432 6.571 -3.056 415 2HG2 ILE 53 2HG2 ILE 53 5.846 6.854 -1.394 416 3HG2 ILE 53 3HG2 ILE 53 4.726 6.882 -2.767 417 1HD1 ILE 53 1HD1 ILE 53 3.489 8.831 -3.517 418 2HD1 ILE 53 2HD1 ILE 53 2.917 10.198 -2.515 419 3HD1 ILE 53 3HD1 ILE 53 4.241 10.428 -3.665 420 H GLY 54 H GLY 54 8.629 7.593 -3.836 421 1HA GLY 54 2HA GLY 54 9.916 5.767 -3.633 422 2HA GLY 54 1HA GLY 54 10.458 6.337 -2.043 423 HA PRO 55 HA PRO 55 7.166 2.701 -1.890 424 1HB PRO 55 2HB PRO 55 8.959 0.594 -1.394 425 2HB PRO 55 3HB PRO 55 8.183 0.950 -2.951 426 1HG PRO 55 2HG PRO 55 10.950 1.680 -2.035 427 2HG PRO 55 3HG PRO 55 10.415 1.165 -3.661 428 1HD PRO 55 2HD PRO 55 10.928 3.763 -3.036 429 2HD PRO 55 3HD PRO 55 9.640 3.322 -4.189 430 H ARG 56 H ARG 56 10.235 3.267 -0.250 431 HA ARG 56 HA ARG 56 9.906 2.475 2.355 432 1HB ARG 56 2HB ARG 56 10.914 5.161 1.330 433 2HB ARG 56 3HB ARG 56 11.172 4.531 2.964 434 1HG ARG 56 2HG ARG 56 12.420 2.609 2.082 435 2HG ARG 56 3HG ARG 56 12.160 3.165 0.415 436 1HD ARG 56 2HD ARG 56 13.330 5.278 0.923 437 2HD ARG 56 3HD ARG 56 13.643 4.703 2.583 438 HE ARG 56 HE ARG 56 14.616 2.719 0.859 439 1HH1 ARG 56 2HH2 ARG 56 15.302 6.095 1.578 440 2HH1 ARG 56 1HH2 ARG 56 16.975 6.038 1.118 441 1HH2 ARG 56 2HH1 ARG 56 16.845 2.582 0.234 442 2HH2 ARG 56 1HH1 ARG 56 17.872 3.973 0.342 443 H ASP 57 H ASP 57 8.295 5.439 0.900 444 HA ASP 57 HA ASP 57 7.455 6.368 3.501 445 1HB ASP 57 2HB ASP 57 7.885 7.867 1.665 446 2HB ASP 57 3HB ASP 57 6.739 7.016 0.623 447 H ILE 58 H ILE 58 5.843 4.728 0.768 448 HA ILE 58 HA ILE 58 3.281 4.400 1.990 449 HB ILE 58 HB ILE 58 4.731 2.906 -0.221 450 1HG1 ILE 58 2HG1 ILE 58 2.184 4.479 -0.450 451 2HG1 ILE 58 3HG1 ILE 58 3.695 5.384 -0.266 452 1HG2 ILE 58 1HG2 ILE 58 2.553 1.836 -0.732 453 2HG2 ILE 58 2HG2 ILE 58 3.274 1.240 0.754 454 3HG2 ILE 58 3HG2 ILE 58 1.940 2.411 0.836 455 1HD1 ILE 58 1HD1 ILE 58 3.174 5.039 -2.636 456 2HD1 ILE 58 2HD1 ILE 58 4.702 4.272 -2.152 457 3HD1 ILE 58 3HD1 ILE 58 3.246 3.278 -2.395 458 H ILE 59 H ILE 59 6.094 2.145 1.899 459 HA ILE 59 HA ILE 59 4.929 0.111 3.499 460 HB ILE 59 HB ILE 59 7.750 0.936 2.840 461 1HG1 ILE 59 2HG1 ILE 59 7.868 -1.480 2.180 462 2HG1 ILE 59 3HG1 ILE 59 6.201 -1.702 2.712 463 1HG2 ILE 59 1HG2 ILE 59 7.063 -1.066 5.024 464 2HG2 ILE 59 2HG2 ILE 59 8.651 -0.897 4.259 465 3HG2 ILE 59 3HG2 ILE 59 8.012 0.427 5.220 466 1HD1 ILE 59 1HD1 ILE 59 6.358 -1.502 0.289 467 2HD1 ILE 59 2HD1 ILE 59 5.463 -0.109 0.921 468 3HD1 ILE 59 3HD1 ILE 59 7.168 0.058 0.423 469 H HIS 60 H HIS 60 6.815 3.015 4.517 470 HA HIS 60 HA HIS 60 6.734 2.514 7.258 471 1HB HIS 60 2HB HIS 60 8.139 4.223 6.168 472 2HB HIS 60 3HB HIS 60 6.710 5.206 5.822 473 HD1 HIS 60 1HD HIS 60 5.627 6.500 7.922 474 HD2 HIS 60 2HD HIS 60 8.938 4.033 8.726 475 HE1 HIS 60 1HE HIS 60 6.340 7.003 10.328 476 H THR 61 H THR 61 4.323 4.343 5.203 477 HA THR 61 HA THR 61 2.612 4.890 7.412 478 HB THR 61 HB THR 61 1.914 4.596 4.475 479 HG1 THR 61 1HG THR 61 2.074 6.882 4.664 480 1HG2 THR 61 1HG2 THR 61 -0.033 6.041 5.086 481 2HG2 THR 61 2HG2 THR 61 -0.143 4.462 5.887 482 3HG2 THR 61 3HG2 THR 61 0.400 5.896 6.794 483 H ILE 62 H ILE 62 2.653 2.043 5.184 484 HA ILE 62 HA ILE 62 0.329 0.793 6.239 485 HB ILE 62 HB ILE 62 2.814 -0.366 4.931 486 1HG1 ILE 62 2HG1 ILE 62 0.009 0.025 3.802 487 2HG1 ILE 62 3HG1 ILE 62 1.263 1.255 3.642 488 1HG2 ILE 62 1HG2 ILE 62 1.735 -2.138 6.221 489 2HG2 ILE 62 2HG2 ILE 62 0.149 -1.714 5.525 490 3HG2 ILE 62 3HG2 ILE 62 1.435 -2.408 4.521 491 1HD1 ILE 62 1HD1 ILE 62 1.231 -0.059 1.630 492 2HD1 ILE 62 2HD1 ILE 62 2.736 -0.396 2.509 493 3HD1 ILE 62 3HD1 ILE 62 1.397 -1.565 2.530 494 H GLU 63 H GLU 63 3.768 0.313 7.156 495 HA GLU 63 HA GLU 63 3.369 -1.482 9.318 496 1HB GLU 63 2HB GLU 63 5.501 0.635 8.793 497 2HB GLU 63 3HB GLU 63 5.615 -0.601 10.052 498 1HG GLU 63 2HG GLU 63 5.567 -2.390 8.399 499 2HG GLU 63 3HG GLU 63 5.316 -1.242 7.082 500 H SER 64 H SER 64 3.780 2.054 9.330 501 HA SER 64 HA SER 64 3.475 2.477 12.081 502 1HB SER 64 2HB SER 64 4.436 4.103 10.538 503 2HB SER 64 3HB SER 64 2.880 4.335 9.737 504 HG SER 64 HG SER 64 2.217 4.891 12.083 505 H LEU 65 H LEU 65 0.934 2.224 9.555 506 HA LEU 65 HA LEU 65 -1.246 2.838 11.386 507 1HB LEU 65 2HB LEU 65 -0.958 1.761 8.595 508 2HB LEU 65 3HB LEU 65 -2.399 1.302 9.493 509 HG LEU 65 HG LEU 65 -3.077 3.553 9.864 510 1HD1 LEU 65 1HD1 LEU 65 -1.916 5.496 8.877 511 2HD1 LEU 65 2HD1 LEU 65 -0.912 4.728 10.111 512 3HD1 LEU 65 3HD1 LEU 65 -0.569 4.452 8.395 513 1HD2 LEU 65 1HD2 LEU 65 -3.616 2.401 7.712 514 2HD2 LEU 65 2HD2 LEU 65 -3.562 4.166 7.545 515 3HD2 LEU 65 3HD2 LEU 65 -2.198 3.173 6.973 516 H GLY 66 H GLY 66 0.068 -0.264 10.081 517 1HA GLY 66 2HA GLY 66 -0.629 -1.586 12.599 518 2HA GLY 66 1HA GLY 66 -1.724 -2.004 11.278 519 H PHE 67 H PHE 67 0.454 -1.990 9.206 520 HA PHE 67 HA PHE 67 0.274 -4.897 9.729 521 1HB PHE 67 2HB PHE 67 0.038 -3.358 7.142 522 2HB PHE 67 3HB PHE 67 -0.513 -4.983 7.464 523 HD1 PHE 67 1HD PHE 67 -2.373 -5.290 9.223 524 HD2 PHE 67 2HD PHE 67 -1.327 -1.422 7.665 525 HE1 PHE 67 1HE PHE 67 -4.589 -4.409 9.933 526 HE2 PHE 67 2HE PHE 67 -3.524 -0.538 8.384 527 HZ PHE 67 HZ PHE 67 -5.212 -2.055 9.378 528 H GLU 68 H GLU 68 1.738 -6.421 8.840 529 HA GLU 68 HA GLU 68 4.425 -5.325 8.191 530 1HB GLU 68 2HB GLU 68 3.673 -8.228 8.039 531 2HB GLU 68 3HB GLU 68 5.242 -7.519 8.320 532 1HG GLU 68 2HG GLU 68 4.697 -6.997 10.614 533 2HG GLU 68 3HG GLU 68 2.982 -7.371 10.378 534 H ALA 69 H ALA 69 5.359 -5.746 6.022 535 HA ALA 69 HA ALA 69 3.531 -6.742 3.979 536 1HB ALA 69 1HB ALA 69 2.831 -4.392 4.160 537 2HB ALA 69 2HB ALA 69 4.522 -3.848 4.057 538 3HB ALA 69 3HB ALA 69 3.747 -4.605 2.656 539 H SER 70 H SER 70 4.518 -6.786 1.808 540 HA SER 70 HA SER 70 7.456 -6.592 1.625 541 1HB SER 70 2HB SER 70 5.923 -9.167 1.998 542 2HB SER 70 3HB SER 70 7.247 -9.174 0.847 543 HG SER 70 HG SER 70 7.475 -8.043 3.467 544 H LEU 71 H LEU 71 8.012 -6.112 -0.498 545 HA LEU 71 HA LEU 71 6.077 -5.835 -2.675 546 1HB LEU 71 2HB LEU 71 9.071 -6.234 -2.937 547 2HB LEU 71 3HB LEU 71 7.952 -5.386 -4.007 548 HG LEU 71 HG LEU 71 9.027 -4.495 -1.294 549 1HD1 LEU 71 1HD1 LEU 71 10.421 -4.128 -3.328 550 2HD1 LEU 71 2HD1 LEU 71 9.089 -3.185 -4.038 551 3HD1 LEU 71 3HD1 LEU 71 9.896 -2.616 -2.565 552 1HD2 LEU 71 1HD2 LEU 71 7.632 -2.400 -1.712 553 2HD2 LEU 71 2HD2 LEU 71 6.728 -3.359 -2.911 554 3HD2 LEU 71 3HD2 LEU 71 6.722 -3.821 -1.195 555 H VAL 72 H VAL 72 5.212 -7.460 -3.904 556 HA VAL 72 HA VAL 72 6.758 -10.020 -4.193 557 HB VAL 72 HB VAL 72 4.615 -11.200 -4.261 558 1HG1 VAL 72 1HG1 VAL 72 5.925 -10.923 -2.151 559 2HG1 VAL 72 2HG1 VAL 72 4.884 -9.539 -1.759 560 3HG1 VAL 72 3HG1 VAL 72 4.188 -11.170 -1.895 561 1HG2 VAL 72 1HG2 VAL 72 2.531 -10.136 -3.536 562 2HG2 VAL 72 2HG2 VAL 72 3.325 -8.559 -3.421 563 3HG2 VAL 72 3HG2 VAL 72 3.121 -9.339 -5.001 564 H LYS 73 H LYS 73 6.639 -7.509 -5.897 565 HA LYS 73 HA LYS 73 6.460 -8.940 -8.410 566 1HB LYS 73 2HB LYS 73 4.029 -8.388 -7.868 567 2HB LYS 73 3HB LYS 73 4.455 -6.684 -7.964 568 1HG LYS 73 2HG LYS 73 5.264 -7.202 -10.383 569 2HG LYS 73 3HG LYS 73 4.485 -8.786 -10.159 570 1HD LYS 73 2HD LYS 73 2.399 -7.502 -9.407 571 2HD LYS 73 3HD LYS 73 3.217 -6.020 -9.940 572 1HE LYS 73 2HE LYS 73 3.398 -7.240 -12.260 573 2HE LYS 73 3HE LYS 73 2.200 -8.361 -11.580 574 1HZ LYS 73 1HZ LYS 73 0.945 -6.156 -11.064 575 2HZ LYS 73 2HZ LYS 73 1.973 -5.531 -12.227 576 3HZ LYS 73 3HZ LYS 73 0.959 -6.729 -12.625 577 H ILE 74 H ILE 74 6.022 -5.596 -7.304 578 HA ILE 74 HA ILE 74 6.524 -3.792 -8.515 579 HB ILE 74 HB ILE 74 7.619 -3.665 -6.413 580 1HG1 ILE 74 2HG1 ILE 74 9.098 -1.833 -6.801 581 2HG1 ILE 74 3HG1 ILE 74 9.435 -2.336 -8.457 582 1HG2 ILE 74 1HG2 ILE 74 10.181 -4.692 -7.691 583 2HG2 ILE 74 2HG2 ILE 74 9.990 -4.067 -6.055 584 3HG2 ILE 74 3HG2 ILE 74 9.162 -5.557 -6.526 585 1HD1 ILE 74 1HD1 ILE 74 7.823 -0.402 -8.239 586 2HD1 ILE 74 2HD1 ILE 74 7.173 -1.754 -9.168 587 3HD1 ILE 74 3HD1 ILE 74 6.656 -1.504 -7.497 588 H GLU 75 H GLU 75 6.202 -4.710 -10.543 589 HA GLU 75 HA GLU 75 8.337 -5.286 -12.414 590 1HB GLU 75 2HB GLU 75 6.445 -4.495 -14.015 591 2HB GLU 75 3HB GLU 75 6.210 -6.009 -13.140 592 1HG GLU 75 2HG GLU 75 4.599 -5.112 -11.689 593 2HG GLU 75 3HG GLU 75 5.174 -3.453 -11.888 Start of MODEL 29 1 1H MET 1 H1 MET 1 6.854 5.742 -13.850 2 2H MET 1 H2 MET 1 7.358 7.197 -13.266 3 3H MET 1 H3 MET 1 5.826 6.989 -13.731 4 HA MET 1 HA MET 1 7.045 8.172 -15.476 5 1HB MET 1 2HB MET 1 9.250 7.147 -15.066 6 2HB MET 1 3HB MET 1 8.644 5.570 -15.599 7 1HG MET 1 2HG MET 1 8.233 6.491 -17.863 8 2HG MET 1 3HG MET 1 8.812 8.078 -17.320 9 1HE MET 1 1HE MET 1 9.812 6.521 -19.926 10 2HE MET 1 2HE MET 1 10.395 8.133 -19.435 11 3HE MET 1 3HE MET 1 11.559 6.845 -19.824 12 H GLY 2 H GLY 2 5.305 8.181 -16.800 13 1HA GLY 2 2HA GLY 2 3.133 7.503 -17.258 14 2HA GLY 2 1HA GLY 2 3.618 5.792 -17.192 15 H ASP 3 H ASP 3 1.613 5.730 -15.591 16 HA ASP 3 HA ASP 3 2.197 6.746 -12.907 17 1HB ASP 3 2HB ASP 3 0.060 5.567 -12.394 18 2HB ASP 3 3HB ASP 3 -0.081 6.837 -13.618 19 H GLY 4 H GLY 4 4.093 5.703 -12.198 20 1HA GLY 4 2HA GLY 4 4.838 3.049 -12.651 21 2HA GLY 4 1HA GLY 4 5.274 4.009 -11.224 22 H VAL 5 H VAL 5 4.454 1.058 -11.609 23 HA VAL 5 HA VAL 5 2.230 0.973 -9.631 24 HB VAL 5 HB VAL 5 1.315 -0.934 -10.677 25 1HG1 VAL 5 1HG1 VAL 5 1.814 1.032 -12.927 26 2HG1 VAL 5 2HG1 VAL 5 0.342 0.109 -12.569 27 3HG1 VAL 5 3HG1 VAL 5 0.837 1.450 -11.509 28 1HG2 VAL 5 1HG2 VAL 5 2.083 -1.731 -12.924 29 2HG2 VAL 5 2HG2 VAL 5 3.556 -0.758 -12.743 30 3HG2 VAL 5 3HG2 VAL 5 3.223 -2.107 -11.632 31 H LEU 6 H LEU 6 2.586 -0.089 -7.831 32 HA LEU 6 HA LEU 6 4.679 -2.185 -7.714 33 1HB LEU 6 2HB LEU 6 4.151 0.056 -5.748 34 2HB LEU 6 3HB LEU 6 4.981 -1.434 -5.316 35 HG LEU 6 HG LEU 6 6.621 0.164 -5.611 36 1HD1 LEU 6 1HD1 LEU 6 8.117 -0.777 -7.184 37 2HD1 LEU 6 2HD1 LEU 6 7.120 -2.088 -6.528 38 3HD1 LEU 6 3HD1 LEU 6 6.804 -1.444 -8.161 39 1HD2 LEU 6 1HD2 LEU 6 5.256 1.736 -7.136 40 2HD2 LEU 6 2HD2 LEU 6 7.007 1.637 -7.394 41 3HD2 LEU 6 3HD2 LEU 6 5.911 0.796 -8.486 42 H GLU 7 H GLU 7 3.782 -4.013 -7.267 43 HA GLU 7 HA GLU 7 1.162 -4.064 -5.893 44 1HB GLU 7 2HB GLU 7 1.920 -5.287 -8.255 45 2HB GLU 7 3HB GLU 7 2.254 -6.560 -7.074 46 1HG GLU 7 2HG GLU 7 0.030 -6.917 -7.559 47 2HG GLU 7 3HG GLU 7 -0.061 -5.931 -6.080 48 H LEU 8 H LEU 8 1.426 -4.253 -3.722 49 HA LEU 8 HA LEU 8 3.640 -5.989 -2.733 50 1HB LEU 8 2HB LEU 8 4.042 -4.432 -0.936 51 2HB LEU 8 3HB LEU 8 4.121 -3.616 -2.503 52 HG LEU 8 HG LEU 8 1.833 -2.679 -2.069 53 1HD1 LEU 8 1HD1 LEU 8 1.254 -2.487 0.357 54 2HD1 LEU 8 2HD1 LEU 8 1.136 -4.152 -0.194 55 3HD1 LEU 8 3HD1 LEU 8 2.540 -3.636 0.760 56 1HD2 LEU 8 1HD2 LEU 8 4.242 -2.036 -0.312 57 2HD2 LEU 8 2HD2 LEU 8 3.871 -1.353 -1.908 58 3HD2 LEU 8 3HD2 LEU 8 2.856 -0.959 -0.509 59 H VAL 9 H VAL 9 3.326 -7.225 -0.868 60 HA VAL 9 HA VAL 9 0.591 -8.078 -0.488 61 HB VAL 9 HB VAL 9 2.567 -9.624 -0.635 62 1HG1 VAL 9 1HG1 VAL 9 3.907 -8.335 1.066 63 2HG1 VAL 9 2HG1 VAL 9 2.859 -8.994 2.335 64 3HG1 VAL 9 3HG1 VAL 9 3.836 -10.092 1.339 65 1HG2 VAL 9 1HG2 VAL 9 1.589 -11.239 0.923 66 2HG2 VAL 9 2HG2 VAL 9 0.644 -9.957 1.701 67 3HG2 VAL 9 3HG2 VAL 9 0.332 -10.394 0.006 68 H VAL 10 H VAL 10 -0.502 -7.928 1.589 69 HA VAL 10 HA VAL 10 0.741 -6.280 3.737 70 HB VAL 10 HB VAL 10 -1.540 -5.242 4.065 71 1HG1 VAL 10 1HG1 VAL 10 -1.073 -3.372 2.628 72 2HG1 VAL 10 2HG1 VAL 10 0.461 -4.041 3.221 73 3HG1 VAL 10 3HG1 VAL 10 -0.085 -4.391 1.571 74 1HG2 VAL 10 1HG2 VAL 10 -1.927 -5.853 1.093 75 2HG2 VAL 10 2HG2 VAL 10 -2.814 -6.689 2.376 76 3HG2 VAL 10 3HG2 VAL 10 -3.004 -4.948 2.168 77 H ARG 11 H ARG 11 1.114 -8.167 4.921 78 HA ARG 11 HA ARG 11 -1.237 -9.909 5.468 79 1HB ARG 11 2HB ARG 11 0.301 -11.363 6.625 80 2HB ARG 11 3HB ARG 11 0.509 -11.213 4.886 81 1HG ARG 11 2HG ARG 11 2.660 -10.829 5.136 82 2HG ARG 11 3HG ARG 11 2.346 -9.392 6.097 83 1HD ARG 11 2HD ARG 11 2.486 -12.226 7.218 84 2HD ARG 11 3HD ARG 11 3.775 -11.013 7.231 85 HE ARG 11 HE ARG 11 1.325 -9.954 8.336 86 1HH1 ARG 11 2HH2 ARG 11 4.410 -11.355 9.106 87 2HH1 ARG 11 1HH2 ARG 11 4.474 -10.646 10.577 88 1HH2 ARG 11 2HH1 ARG 11 1.281 -9.277 10.475 89 2HH2 ARG 11 1HH1 ARG 11 2.584 -9.700 11.554 90 H GLY 12 H GLY 12 -2.559 -9.177 6.943 91 1HA GLY 12 2HA GLY 12 -2.263 -9.003 9.604 92 2HA GLY 12 1HA GLY 12 -1.710 -7.392 9.125 93 H MET 13 H MET 13 -3.718 -7.580 6.714 94 HA MET 13 HA MET 13 -5.864 -6.216 7.968 95 1HB MET 13 2HB MET 13 -5.905 -7.666 5.299 96 2HB MET 13 3HB MET 13 -7.002 -6.382 5.835 97 1HG MET 13 2HG MET 13 -4.916 -4.894 6.052 98 2HG MET 13 3HG MET 13 -4.088 -6.124 5.082 99 1HE MET 13 1HE MET 13 -6.457 -6.022 1.856 100 2HE MET 13 2HE MET 13 -5.149 -6.921 2.672 101 3HE MET 13 3HE MET 13 -6.811 -6.964 3.317 102 H THR 14 H THR 14 -8.196 -6.922 7.598 103 HA THR 14 HA THR 14 -8.830 -9.727 7.937 104 HB THR 14 HB THR 14 -8.025 -9.492 10.131 105 HG1 THR 14 1HG THR 14 -10.830 -9.097 10.296 106 1HG2 THR 14 1HG2 THR 14 -7.862 -7.074 10.389 107 2HG2 THR 14 2HG2 THR 14 -9.638 -6.925 10.470 108 3HG2 THR 14 3HG2 THR 14 -8.749 -7.788 11.736 109 H CYS 15 H CYS 15 -9.969 -6.316 8.293 110 HA CYS 15 HA CYS 15 -12.624 -7.157 7.201 111 1HB CYS 15 2HB CYS 15 -11.979 -5.643 9.769 112 2HB CYS 15 3HB CYS 15 -13.579 -5.611 8.998 113 HG CYS 15 HG CYS 15 -13.536 -7.239 11.056 114 H ALA 16 H ALA 16 -13.929 -5.379 6.551 115 HA ALA 16 HA ALA 16 -12.995 -3.757 4.590 116 1HB ALA 16 1HB ALA 16 -15.073 -2.474 4.855 117 2HB ALA 16 2HB ALA 16 -15.354 -4.218 5.027 118 3HB ALA 16 3HB ALA 16 -15.314 -3.179 6.468 119 H SER 17 H SER 17 -13.256 -2.889 8.009 120 HA SER 17 HA SER 17 -12.336 -0.247 8.046 121 1HB SER 17 2HB SER 17 -11.558 -0.858 10.331 122 2HB SER 17 3HB SER 17 -13.207 -1.400 9.970 123 HG SER 17 HG SER 17 -11.983 -3.446 9.237 124 H CYS 18 H CYS 18 -10.117 -2.850 9.081 125 HA CYS 18 HA CYS 18 -7.702 -1.677 8.657 126 1HB CYS 18 2HB CYS 18 -8.540 -4.580 8.240 127 2HB CYS 18 3HB CYS 18 -6.859 -4.045 8.082 128 HG CYS 18 HG CYS 18 -7.082 -5.094 10.413 129 H VAL 19 H VAL 19 -9.636 -3.304 6.151 130 HA VAL 19 HA VAL 19 -7.882 -2.948 3.989 131 HB VAL 19 HB VAL 19 -10.846 -3.233 4.314 132 1HG1 VAL 19 1HG1 VAL 19 -10.859 -1.823 2.378 133 2HG1 VAL 19 2HG1 VAL 19 -9.519 -2.732 1.639 134 3HG1 VAL 19 3HG1 VAL 19 -11.111 -3.486 1.864 135 1HG2 VAL 19 1HG2 VAL 19 -8.770 -4.920 2.907 136 2HG2 VAL 19 2HG2 VAL 19 -9.317 -5.158 4.583 137 3HG2 VAL 19 3HG2 VAL 19 -10.461 -5.359 3.244 138 H HIS 20 H HIS 20 -10.723 -0.775 4.639 139 HA HIS 20 HA HIS 20 -9.697 1.064 2.736 140 1HB HIS 20 2HB HIS 20 -11.530 2.338 2.970 141 2HB HIS 20 3HB HIS 20 -12.084 0.692 3.238 142 HD1 HIS 20 1HD HIS 20 -14.034 2.760 4.062 143 HD2 HIS 20 2HD HIS 20 -10.878 1.674 6.605 144 HE1 HIS 20 1HE HIS 20 -14.653 3.506 6.419 145 H LYS 21 H LYS 21 -8.937 0.693 6.060 146 HA LYS 21 HA LYS 21 -8.067 3.254 6.764 147 1HB LYS 21 2HB LYS 21 -8.102 1.061 8.160 148 2HB LYS 21 3HB LYS 21 -6.583 0.655 7.362 149 1HG LYS 21 2HG LYS 21 -5.944 1.573 9.404 150 2HG LYS 21 3HG LYS 21 -5.682 2.900 8.257 151 1HD LYS 21 2HD LYS 21 -7.892 3.860 8.901 152 2HD LYS 21 3HD LYS 21 -8.151 2.490 10.001 153 1HE LYS 21 2HE LYS 21 -6.138 3.182 11.316 154 2HE LYS 21 3HE LYS 21 -5.898 4.555 10.219 155 1HZ LYS 21 1HZ LYS 21 -7.018 5.203 12.218 156 2HZ LYS 21 2HZ LYS 21 -8.022 5.414 10.934 157 3HZ LYS 21 3HZ LYS 21 -8.243 4.139 11.954 158 H ILE 22 H ILE 22 -6.466 0.703 4.835 159 HA ILE 22 HA ILE 22 -3.920 2.021 4.650 160 HB ILE 22 HB ILE 22 -5.246 -0.095 2.927 161 1HG1 ILE 22 2HG1 ILE 22 -3.053 -0.397 5.029 162 2HG1 ILE 22 3HG1 ILE 22 -4.776 -0.527 5.429 163 1HG2 ILE 22 1HG2 ILE 22 -3.418 1.021 1.654 164 2HG2 ILE 22 2HG2 ILE 22 -2.306 0.710 3.003 165 3HG2 ILE 22 3HG2 ILE 22 -2.997 -0.635 2.079 166 1HD1 ILE 22 1HD1 ILE 22 -5.082 -2.265 3.774 167 2HD1 ILE 22 2HD1 ILE 22 -3.306 -2.363 3.556 168 3HD1 ILE 22 3HD1 ILE 22 -4.041 -2.716 5.136 169 H GLU 23 H GLU 23 -6.558 1.635 2.207 170 HA GLU 23 HA GLU 23 -5.563 3.433 0.314 171 1HB GLU 23 2HB GLU 23 -8.400 2.644 1.082 172 2HB GLU 23 3HB GLU 23 -8.036 3.645 -0.332 173 1HG GLU 23 2HG GLU 23 -6.683 1.966 -1.339 174 2HG GLU 23 3HG GLU 23 -6.683 0.945 0.109 175 H SER 24 H SER 24 -7.956 4.192 2.896 176 HA SER 24 HA SER 24 -8.118 6.941 2.359 177 1HB SER 24 2HB SER 24 -9.705 5.661 3.772 178 2HB SER 24 3HB SER 24 -8.496 5.565 5.059 179 HG SER 24 HG SER 24 -8.487 8.013 4.751 180 H SER 25 H SER 25 -5.676 5.183 4.311 181 HA SER 25 HA SER 25 -4.369 7.632 5.234 182 1HB SER 25 2HB SER 25 -4.219 5.473 6.433 183 2HB SER 25 3HB SER 25 -3.315 4.780 5.083 184 HG SER 25 HG SER 25 -1.718 6.414 5.477 185 H LEU 26 H LEU 26 -3.374 5.204 2.726 186 HA LEU 26 HA LEU 26 -1.143 6.817 2.154 187 1HB LEU 26 2HB LEU 26 -2.332 4.603 0.491 188 2HB LEU 26 3HB LEU 26 -0.838 5.539 0.160 189 HG LEU 26 HG LEU 26 0.321 4.790 1.995 190 1HD1 LEU 26 1HD1 LEU 26 -1.443 4.493 3.742 191 2HD1 LEU 26 2HD1 LEU 26 -2.014 3.052 2.863 192 3HD1 LEU 26 3HD1 LEU 26 -0.399 3.086 3.573 193 1HD2 LEU 26 1HD2 LEU 26 0.445 2.393 1.403 194 2HD2 LEU 26 2HD2 LEU 26 -1.127 2.511 0.589 195 3HD2 LEU 26 3HD2 LEU 26 0.260 3.438 -0.027 196 H THR 27 H THR 27 -4.409 6.819 0.685 197 HA THR 27 HA THR 27 -3.781 8.446 -1.565 198 HB THR 27 HB THR 27 -6.181 9.148 -1.450 199 HG1 THR 27 1HG THR 27 -6.328 7.397 0.757 200 1HG2 THR 27 1HG2 THR 27 -5.620 7.185 -2.714 201 2HG2 THR 27 2HG2 THR 27 -5.579 6.168 -1.267 202 3HG2 THR 27 3HG2 THR 27 -7.113 6.874 -1.813 203 H LYS 28 H LYS 28 -3.591 9.314 1.799 204 HA LYS 28 HA LYS 28 -3.977 12.136 1.465 205 1HB LYS 28 2HB LYS 28 -2.185 10.640 3.408 206 2HB LYS 28 3HB LYS 28 -2.707 12.302 3.600 207 1HG LYS 28 2HG LYS 28 -4.820 10.119 3.410 208 2HG LYS 28 3HG LYS 28 -3.854 10.250 4.860 209 1HD LYS 28 2HD LYS 28 -5.934 11.415 5.132 210 2HD LYS 28 3HD LYS 28 -4.604 12.588 5.185 211 1HE LYS 28 2HE LYS 28 -5.096 13.366 2.940 212 2HE LYS 28 3HE LYS 28 -6.194 12.001 2.636 213 1HZ LYS 28 1HZ LYS 28 -7.368 14.022 3.082 214 2HZ LYS 28 2HZ LYS 28 -7.685 12.921 4.259 215 3HZ LYS 28 3HZ LYS 28 -6.663 14.180 4.559 216 H HIS 29 H HIS 29 -1.281 9.934 0.796 217 HA HIS 29 HA HIS 29 0.664 12.092 0.480 218 1HB HIS 29 2HB HIS 29 0.907 9.337 -0.722 219 2HB HIS 29 3HB HIS 29 2.174 10.443 -0.217 220 HD1 HIS 29 1HD HIS 29 1.996 10.656 2.794 221 HD2 HIS 29 2HD HIS 29 0.555 7.328 0.692 222 HE1 HIS 29 1HE HIS 29 1.909 8.656 4.426 223 H ARG 30 H ARG 30 0.156 13.556 -1.204 224 HA ARG 30 HA ARG 30 -0.990 12.701 -3.726 225 1HB ARG 30 2HB ARG 30 -1.005 15.030 -2.827 226 2HB ARG 30 3HB ARG 30 0.747 15.129 -3.083 227 1HG ARG 30 2HG ARG 30 0.432 14.899 -5.510 228 2HG ARG 30 3HG ARG 30 -1.308 14.617 -5.284 229 1HD ARG 30 2HD ARG 30 -1.555 16.893 -4.369 230 2HD ARG 30 3HD ARG 30 0.208 17.141 -4.498 231 HE ARG 30 HE ARG 30 -0.803 16.373 -7.039 232 1HH1 ARG 30 2HH2 ARG 30 -0.900 19.106 -4.828 233 2HH1 ARG 30 1HH2 ARG 30 -1.078 20.323 -6.054 234 1HH2 ARG 30 2HH1 ARG 30 -1.042 17.949 -8.720 235 2HH2 ARG 30 1HH1 ARG 30 -1.170 19.634 -8.334 236 H GLY 31 H GLY 31 1.992 11.985 -2.309 237 1HA GLY 31 2HA GLY 31 3.697 11.657 -4.555 238 2HA GLY 31 1HA GLY 31 3.718 10.807 -3.006 239 H ILE 32 H ILE 32 0.798 9.842 -3.444 240 HA ILE 32 HA ILE 32 1.528 7.664 -5.361 241 HB ILE 32 HB ILE 32 0.135 6.205 -4.347 242 1HG1 ILE 32 2HG1 ILE 32 -1.041 7.132 -2.072 243 2HG1 ILE 32 3HG1 ILE 32 -1.229 8.542 -3.130 244 1HG2 ILE 32 1HG2 ILE 32 0.977 5.967 -2.106 245 2HG2 ILE 32 2HG2 ILE 32 2.241 6.503 -3.222 246 3HG2 ILE 32 3HG2 ILE 32 1.521 7.656 -2.082 247 1HD1 ILE 32 1HD1 ILE 32 -2.306 7.127 -4.819 248 2HD1 ILE 32 2HD1 ILE 32 -2.028 5.690 -3.809 249 3HD1 ILE 32 3HD1 ILE 32 -3.149 6.958 -3.272 250 H LEU 33 H LEU 33 -0.079 6.873 -6.743 251 HA LEU 33 HA LEU 33 -1.811 9.028 -7.868 252 1HB LEU 33 2HB LEU 33 -0.618 6.573 -9.206 253 2HB LEU 33 3HB LEU 33 -1.483 7.896 -9.991 254 HG LEU 33 HG LEU 33 1.206 8.175 -8.540 255 1HD1 LEU 33 1HD1 LEU 33 2.175 8.372 -10.771 256 2HD1 LEU 33 2HD1 LEU 33 1.381 6.803 -10.559 257 3HD1 LEU 33 3HD1 LEU 33 0.583 8.083 -11.506 258 1HD2 LEU 33 1HD2 LEU 33 -0.370 10.145 -10.254 259 2HD2 LEU 33 2HD2 LEU 33 -0.024 10.301 -8.515 260 3HD2 LEU 33 3HD2 LEU 33 1.296 10.380 -9.685 261 H TYR 34 H TYR 34 -1.745 5.522 -6.865 262 HA TYR 34 HA TYR 34 -4.543 5.781 -6.325 263 1HB TYR 34 2HB TYR 34 -4.315 5.142 -8.857 264 2HB TYR 34 3HB TYR 34 -3.668 3.605 -8.277 265 HD1 TYR 34 HD1 TYR 34 -5.247 1.859 -8.230 266 HD2 TYR 34 HD2 TYR 34 -6.534 5.915 -7.516 267 HE1 TYR 34 HE1 TYR 34 -7.556 1.086 -7.954 268 HE2 TYR 34 HE2 TYR 34 -8.774 5.115 -6.966 269 HH TYR 34 HH TYR 34 -9.695 1.643 -7.172 270 H CYS 35 H CYS 35 -5.313 3.892 -5.068 271 HA CYS 35 HA CYS 35 -3.322 1.876 -4.311 272 1HB CYS 35 2HB CYS 35 -2.949 3.543 -2.562 273 2HB CYS 35 3HB CYS 35 -4.688 3.605 -2.204 274 HG CYS 35 HG CYS 35 -3.601 2.191 -0.371 275 H SER 36 H SER 36 -4.304 -0.032 -4.330 276 HA SER 36 HA SER 36 -7.256 -0.265 -3.988 277 1HB SER 36 2HB SER 36 -7.312 -0.285 -6.232 278 2HB SER 36 3HB SER 36 -5.615 -0.746 -6.426 279 HG SER 36 HG SER 36 -6.276 -2.867 -5.712 280 H VAL 37 H VAL 37 -7.126 -1.352 -2.026 281 HA VAL 37 HA VAL 37 -5.171 -3.562 -1.854 282 HB VAL 37 HB VAL 37 -5.073 -1.634 -0.263 283 1HG1 VAL 37 1HG1 VAL 37 -7.535 -1.583 0.344 284 2HG1 VAL 37 2HG1 VAL 37 -7.260 -3.092 1.255 285 3HG1 VAL 37 3HG1 VAL 37 -6.403 -1.620 1.705 286 1HG2 VAL 37 1HG2 VAL 37 -5.200 -4.483 0.768 287 2HG2 VAL 37 2HG2 VAL 37 -3.809 -3.678 0.032 288 3HG2 VAL 37 3HG2 VAL 37 -4.415 -3.113 1.590 289 H ALA 38 H ALA 38 -5.847 -5.521 -2.375 290 HA ALA 38 HA ALA 38 -8.754 -6.154 -2.089 291 1HB ALA 38 1HB ALA 38 -8.260 -7.913 -3.733 292 2HB ALA 38 2HB ALA 38 -7.895 -6.284 -4.343 293 3HB ALA 38 3HB ALA 38 -6.576 -7.348 -3.818 294 H LEU 39 H LEU 39 -8.844 -6.776 0.053 295 HA LEU 39 HA LEU 39 -7.135 -8.393 1.513 296 1HB LEU 39 2HB LEU 39 -9.111 -7.245 2.388 297 2HB LEU 39 3HB LEU 39 -10.190 -8.387 1.588 298 HG LEU 39 HG LEU 39 -8.060 -9.534 3.393 299 1HD1 LEU 39 1HD1 LEU 39 -8.832 -7.605 4.705 300 2HD1 LEU 39 2HD1 LEU 39 -10.521 -8.119 4.491 301 3HD1 LEU 39 3HD1 LEU 39 -9.380 -9.137 5.399 302 1HD2 LEU 39 1HD2 LEU 39 -11.040 -10.137 3.056 303 2HD2 LEU 39 2HD2 LEU 39 -9.730 -11.035 2.269 304 3HD2 LEU 39 3HD2 LEU 39 -9.887 -11.071 4.026 305 H ALA 40 H ALA 40 -9.575 -9.452 -0.835 306 HA ALA 40 HA ALA 40 -9.582 -12.179 -0.606 307 1HB ALA 40 1HB ALA 40 -9.922 -12.241 -3.046 308 2HB ALA 40 2HB ALA 40 -10.832 -10.902 -2.314 309 3HB ALA 40 3HB ALA 40 -9.311 -10.581 -3.186 310 H THR 41 H THR 41 -6.841 -10.221 -1.750 311 HA THR 41 HA THR 41 -5.207 -12.706 -2.020 312 HB THR 41 HB THR 41 -5.757 -11.931 -4.234 313 HG1 THR 41 1HG THR 41 -3.154 -11.381 -3.340 314 1HG2 THR 41 1HG2 THR 41 -5.098 -9.698 -5.038 315 2HG2 THR 41 2HG2 THR 41 -6.478 -9.716 -3.940 316 3HG2 THR 41 3HG2 THR 41 -4.890 -9.193 -3.340 317 H ASN 42 H ASN 42 -5.726 -10.462 0.105 318 HA ASN 42 HA ASN 42 -4.626 -8.798 1.237 319 1HB ASN 42 2HB ASN 42 -3.174 -11.403 1.589 320 2HB ASN 42 3HB ASN 42 -2.466 -9.984 2.350 321 1HD2 ASN 42 1HD2 ASN 42 -3.479 -8.879 4.059 322 2HD2 ASN 42 2HD2 ASN 42 -4.861 -9.618 4.878 323 H LYS 43 H LYS 43 -4.224 -8.019 -1.258 324 HA LYS 43 HA LYS 43 -1.366 -7.182 -1.272 325 1HB LYS 43 2HB LYS 43 -1.019 -8.268 -3.137 326 2HB LYS 43 3HB LYS 43 -2.682 -8.764 -3.301 327 1HG LYS 43 2HG LYS 43 -1.581 -6.085 -4.269 328 2HG LYS 43 3HG LYS 43 -1.683 -7.532 -5.250 329 1HD LYS 43 2HD LYS 43 -4.251 -7.068 -3.994 330 2HD LYS 43 3HD LYS 43 -3.764 -5.590 -4.803 331 1HE LYS 43 2HE LYS 43 -3.608 -8.284 -6.232 332 2HE LYS 43 3HE LYS 43 -5.162 -7.475 -6.028 333 1HZ LYS 43 1HZ LYS 43 -4.366 -5.605 -7.209 334 2HZ LYS 43 2HZ LYS 43 -2.880 -6.249 -7.406 335 3HZ LYS 43 3HZ LYS 43 -4.158 -6.950 -8.120 336 H ALA 44 H ALA 44 -0.936 -5.114 -1.653 337 HA ALA 44 HA ALA 44 -3.134 -3.194 -2.246 338 1HB ALA 44 1HB ALA 44 -0.336 -2.560 -1.310 339 2HB ALA 44 2HB ALA 44 -1.704 -1.461 -1.477 340 3HB ALA 44 3HB ALA 44 -1.718 -2.700 -0.209 341 H HIS 45 H HIS 45 -3.346 -3.014 -4.356 342 HA HIS 45 HA HIS 45 -1.020 -2.860 -6.257 343 1HB HIS 45 2HB HIS 45 -3.248 -3.919 -6.864 344 2HB HIS 45 3HB HIS 45 -4.010 -2.358 -6.605 345 HD1 HIS 45 1HD HIS 45 -2.707 -4.345 -9.302 346 HD2 HIS 45 2HD HIS 45 -2.047 -0.479 -8.119 347 HE1 HIS 45 1HE HIS 45 -2.121 -3.111 -11.420 348 H ILE 46 H ILE 46 0.184 -1.150 -5.612 349 HA ILE 46 HA ILE 46 -1.306 1.403 -5.137 350 HB ILE 46 HB ILE 46 1.556 0.790 -4.388 351 1HG1 ILE 46 2HG1 ILE 46 -0.988 0.793 -2.697 352 2HG1 ILE 46 3HG1 ILE 46 0.029 -0.623 -3.066 353 1HG2 ILE 46 1HG2 ILE 46 1.394 2.942 -3.230 354 2HG2 ILE 46 2HG2 ILE 46 0.794 3.199 -4.866 355 3HG2 ILE 46 3HG2 ILE 46 -0.354 3.031 -3.534 356 1HD1 ILE 46 1HD1 ILE 46 0.605 0.099 -0.888 357 2HD1 ILE 46 2HD1 ILE 46 1.945 0.517 -1.997 358 3HD1 ILE 46 3HD1 ILE 46 0.820 1.779 -1.427 359 H LYS 47 H LYS 47 -1.154 2.814 -6.710 360 HA LYS 47 HA LYS 47 0.944 2.463 -8.781 361 1HB LYS 47 2HB LYS 47 -1.624 4.008 -9.006 362 2HB LYS 47 3HB LYS 47 -0.350 3.811 -10.237 363 1HG LYS 47 2HG LYS 47 -0.786 1.234 -9.867 364 2HG LYS 47 3HG LYS 47 -2.329 1.756 -9.196 365 1HD LYS 47 2HD LYS 47 -1.232 2.426 -11.971 366 2HD LYS 47 3HD LYS 47 -2.431 1.172 -11.617 367 1HE LYS 47 2HE LYS 47 -4.046 2.889 -10.863 368 2HE LYS 47 3HE LYS 47 -2.819 4.159 -11.058 369 1HZ LYS 47 1HZ LYS 47 -4.246 4.127 -12.945 370 2HZ LYS 47 2HZ LYS 47 -2.723 3.703 -13.365 371 3HZ LYS 47 3HZ LYS 47 -3.879 2.546 -13.274 372 H TYR 48 H TYR 48 2.633 3.806 -8.333 373 HA TYR 48 HA TYR 48 2.280 6.450 -7.255 374 1HB TYR 48 2HB TYR 48 3.334 6.271 -5.206 375 2HB TYR 48 3HB TYR 48 2.203 4.943 -5.169 376 HD1 TYR 48 HD1 TYR 48 5.778 5.935 -5.621 377 HD2 TYR 48 HD2 TYR 48 3.081 2.656 -4.874 378 HE1 TYR 48 HE1 TYR 48 7.684 4.479 -5.093 379 HE2 TYR 48 HE2 TYR 48 4.976 1.308 -4.038 380 HH TYR 48 HH TYR 48 8.356 2.426 -4.410 381 H ASP 49 H ASP 49 4.341 7.581 -7.545 382 HA ASP 49 HA ASP 49 6.184 6.034 -9.311 383 1HB ASP 49 2HB ASP 49 4.824 8.444 -9.856 384 2HB ASP 49 3HB ASP 49 6.529 8.875 -9.648 385 HA PRO 50 HA PRO 50 9.077 6.211 -6.038 386 1HB PRO 50 2HB PRO 50 11.476 5.895 -7.379 387 2HB PRO 50 3HB PRO 50 10.314 4.588 -7.013 388 1HG PRO 50 2HG PRO 50 10.562 6.171 -9.581 389 2HG PRO 50 3HG PRO 50 10.431 4.397 -9.392 390 1HD PRO 50 2HD PRO 50 8.285 5.874 -9.999 391 2HD PRO 50 3HD PRO 50 8.116 4.562 -8.794 392 H GLU 51 H GLU 51 9.593 8.291 -8.881 393 HA GLU 51 HA GLU 51 11.436 10.098 -7.748 394 1HB GLU 51 2HB GLU 51 10.633 11.638 -9.550 395 2HB GLU 51 3HB GLU 51 11.167 10.049 -10.104 396 1HG GLU 51 2HG GLU 51 8.852 9.309 -10.421 397 2HG GLU 51 3HG GLU 51 8.245 10.814 -9.705 398 H ILE 52 H ILE 52 7.981 9.792 -7.110 399 HA ILE 52 HA ILE 52 8.043 12.453 -5.731 400 HB ILE 52 HB ILE 52 5.578 12.333 -5.786 401 1HG1 ILE 52 2HG1 ILE 52 5.999 10.249 -7.968 402 2HG1 ILE 52 3HG1 ILE 52 5.361 9.911 -6.356 403 1HG2 ILE 52 1HG2 ILE 52 6.950 12.465 -8.498 404 2HG2 ILE 52 2HG2 ILE 52 5.460 13.307 -8.015 405 3HG2 ILE 52 3HG2 ILE 52 6.997 13.752 -7.274 406 1HD1 ILE 52 1HD1 ILE 52 3.503 10.088 -7.885 407 2HD1 ILE 52 2HD1 ILE 52 3.469 11.550 -6.879 408 3HD1 ILE 52 3HD1 ILE 52 4.086 11.616 -8.545 409 H ILE 53 H ILE 53 7.566 8.956 -5.226 410 HA ILE 53 HA ILE 53 8.023 9.576 -2.422 411 HB ILE 53 HB ILE 53 5.520 9.729 -2.747 412 1HG1 ILE 53 2HG1 ILE 53 6.343 7.514 -0.879 413 2HG1 ILE 53 3HG1 ILE 53 6.740 9.231 -0.623 414 1HG2 ILE 53 1HG2 ILE 53 5.351 7.837 -4.385 415 2HG2 ILE 53 2HG2 ILE 53 5.586 6.702 -3.010 416 3HG2 ILE 53 3HG2 ILE 53 4.182 7.780 -3.063 417 1HD1 ILE 53 1HD1 ILE 53 4.378 9.826 -0.580 418 2HD1 ILE 53 2HD1 ILE 53 3.907 8.128 -0.828 419 3HD1 ILE 53 3HD1 ILE 53 4.744 8.609 0.658 420 H GLY 54 H GLY 54 9.231 7.953 -1.430 421 1HA GLY 54 2HA GLY 54 10.264 5.945 -3.286 422 2HA GLY 54 1HA GLY 54 10.805 6.278 -1.637 423 HA PRO 55 HA PRO 55 7.992 2.413 -1.853 424 1HB PRO 55 2HB PRO 55 9.946 0.504 -1.312 425 2HB PRO 55 3HB PRO 55 9.425 0.955 -2.948 426 1HG PRO 55 2HG PRO 55 11.859 1.915 -1.457 427 2HG PRO 55 3HG PRO 55 11.715 1.459 -3.174 428 1HD PRO 55 2HD PRO 55 11.702 4.065 -2.348 429 2HD PRO 55 3HD PRO 55 10.720 3.522 -3.738 430 H ARG 56 H ARG 56 10.937 2.829 0.185 431 HA ARG 56 HA ARG 56 9.815 1.544 2.399 432 1HB ARG 56 2HB ARG 56 12.264 2.078 2.045 433 2HB ARG 56 3HB ARG 56 11.905 3.733 2.595 434 1HG ARG 56 2HG ARG 56 10.940 2.760 4.692 435 2HG ARG 56 3HG ARG 56 11.352 1.138 4.133 436 1HD ARG 56 2HD ARG 56 13.729 1.599 4.377 437 2HD ARG 56 3HD ARG 56 13.421 3.331 4.512 438 HE ARG 56 HE ARG 56 12.693 3.163 6.673 439 1HH1 ARG 56 2HH2 ARG 56 13.205 -0.136 5.532 440 2HH1 ARG 56 1HH2 ARG 56 12.508 -0.872 6.944 441 1HH2 ARG 56 2HH1 ARG 56 11.588 2.288 8.308 442 2HH2 ARG 56 1HH1 ARG 56 11.679 0.581 8.701 443 H ASP 57 H ASP 57 9.578 4.952 1.408 444 HA ASP 57 HA ASP 57 8.377 6.105 3.574 445 1HB ASP 57 2HB ASP 57 7.327 6.593 0.788 446 2HB ASP 57 3HB ASP 57 7.585 7.758 2.074 447 H ILE 58 H ILE 58 6.757 4.424 0.850 448 HA ILE 58 HA ILE 58 4.090 4.479 1.883 449 HB ILE 58 HB ILE 58 5.433 2.386 0.101 450 1HG1 ILE 58 2HG1 ILE 58 5.575 4.579 -0.947 451 2HG1 ILE 58 3HG1 ILE 58 4.458 3.494 -1.789 452 1HG2 ILE 58 1HG2 ILE 58 3.124 1.934 -0.680 453 2HG2 ILE 58 2HG2 ILE 58 3.419 1.440 0.986 454 3HG2 ILE 58 3HG2 ILE 58 2.520 2.937 0.660 455 1HD1 ILE 58 1HD1 ILE 58 3.686 5.782 -1.708 456 2HD1 ILE 58 2HD1 ILE 58 2.542 4.684 -0.909 457 3HD1 ILE 58 3HD1 ILE 58 3.605 5.750 0.060 458 H ILE 59 H ILE 59 6.671 2.052 2.071 459 HA ILE 59 HA ILE 59 5.246 0.162 3.642 460 HB ILE 59 HB ILE 59 8.228 0.700 3.728 461 1HG1 ILE 59 2HG1 ILE 59 7.574 0.110 1.455 462 2HG1 ILE 59 3HG1 ILE 59 8.416 -1.235 2.200 463 1HG2 ILE 59 1HG2 ILE 59 8.389 -1.668 4.511 464 2HG2 ILE 59 2HG2 ILE 59 7.663 -0.562 5.677 465 3HG2 ILE 59 3HG2 ILE 59 6.631 -1.668 4.749 466 1HD1 ILE 59 1HD1 ILE 59 6.537 -2.033 0.898 467 2HD1 ILE 59 2HD1 ILE 59 6.194 -2.341 2.604 468 3HD1 ILE 59 3HD1 ILE 59 5.409 -0.983 1.755 469 H HIS 60 H HIS 60 7.157 2.983 4.837 470 HA HIS 60 HA HIS 60 6.817 2.474 7.590 471 1HB HIS 60 2HB HIS 60 6.940 5.146 6.124 472 2HB HIS 60 3HB HIS 60 6.981 4.952 7.869 473 HD1 HIS 60 1HD HIS 60 9.359 5.824 5.525 474 HD2 HIS 60 2HD HIS 60 9.098 2.846 8.478 475 HE1 HIS 60 1HE HIS 60 11.749 5.290 6.234 476 H THR 61 H THR 61 4.669 4.386 5.335 477 HA THR 61 HA THR 61 2.678 4.904 7.233 478 HB THR 61 HB THR 61 2.109 4.198 4.321 479 HG1 THR 61 1HG THR 61 2.466 6.411 3.957 480 1HG2 THR 61 1HG2 THR 61 0.139 4.503 5.821 481 2HG2 THR 61 2HG2 THR 61 0.779 6.077 6.328 482 3HG2 THR 61 3HG2 THR 61 0.282 5.828 4.643 483 H ILE 62 H ILE 62 2.889 2.075 5.004 484 HA ILE 62 HA ILE 62 0.484 0.868 5.871 485 HB ILE 62 HB ILE 62 2.964 -0.265 4.531 486 1HG1 ILE 62 2HG1 ILE 62 0.199 0.596 3.553 487 2HG1 ILE 62 3HG1 ILE 62 1.733 1.426 3.258 488 1HG2 ILE 62 1HG2 ILE 62 1.615 -2.230 3.956 489 2HG2 ILE 62 2HG2 ILE 62 1.775 -2.117 5.693 490 3HG2 ILE 62 3HG2 ILE 62 0.253 -1.614 4.913 491 1HD1 ILE 62 1HD1 ILE 62 2.518 -0.712 2.083 492 2HD1 ILE 62 2HD1 ILE 62 0.809 -1.231 2.155 493 3HD1 ILE 62 3HD1 ILE 62 1.251 0.233 1.277 494 H GLU 63 H GLU 63 3.833 0.018 6.881 495 HA GLU 63 HA GLU 63 3.183 -1.871 8.875 496 1HB GLU 63 2HB GLU 63 5.451 0.159 8.739 497 2HB GLU 63 3HB GLU 63 5.403 -1.235 9.826 498 1HG GLU 63 2HG GLU 63 5.318 -1.486 6.775 499 2HG GLU 63 3HG GLU 63 6.796 -1.531 7.743 500 H SER 64 H SER 64 3.494 1.701 9.039 501 HA SER 64 HA SER 64 2.988 1.883 11.838 502 1HB SER 64 2HB SER 64 4.189 3.609 10.586 503 2HB SER 64 3HB SER 64 2.720 4.007 9.679 504 HG SER 64 HG SER 64 1.844 4.256 11.991 505 H LEU 65 H LEU 65 0.698 1.188 9.294 506 HA LEU 65 HA LEU 65 -1.507 1.797 11.218 507 1HB LEU 65 2HB LEU 65 -1.502 0.408 8.523 508 2HB LEU 65 3HB LEU 65 -2.867 0.411 9.649 509 HG LEU 65 HG LEU 65 -3.323 2.008 8.014 510 1HD1 LEU 65 1HD1 LEU 65 -3.864 2.643 10.391 511 2HD1 LEU 65 2HD1 LEU 65 -2.400 3.654 10.404 512 3HD1 LEU 65 3HD1 LEU 65 -3.701 4.015 9.268 513 1HD2 LEU 65 1HD2 LEU 65 -1.977 3.893 7.402 514 2HD2 LEU 65 2HD2 LEU 65 -0.745 3.483 8.602 515 3HD2 LEU 65 3HD2 LEU 65 -1.022 2.415 7.196 516 H GLY 66 H GLY 66 -1.353 -1.398 9.716 517 1HA GLY 66 2HA GLY 66 -0.051 -2.587 12.037 518 2HA GLY 66 1HA GLY 66 -1.807 -2.831 12.027 519 H PHE 67 H PHE 67 0.460 -2.740 9.204 520 HA PHE 67 HA PHE 67 -0.320 -5.581 8.608 521 1HB PHE 67 2HB PHE 67 -0.060 -3.406 6.540 522 2HB PHE 67 3HB PHE 67 -0.818 -4.984 6.386 523 HD1 PHE 67 1HD PHE 67 -1.447 -1.530 6.738 524 HD2 PHE 67 2HD PHE 67 -2.741 -5.283 8.383 525 HE1 PHE 67 1HE PHE 67 -3.574 -0.486 7.469 526 HE2 PHE 67 2HE PHE 67 -4.782 -4.206 9.250 527 HZ PHE 67 HZ PHE 67 -5.271 -1.825 8.659 528 H GLU 68 H GLU 68 1.433 -6.884 8.184 529 HA GLU 68 HA GLU 68 4.073 -5.566 8.011 530 1HB GLU 68 2HB GLU 68 3.548 -7.619 9.410 531 2HB GLU 68 3HB GLU 68 3.406 -8.494 7.867 532 1HG GLU 68 2HG GLU 68 5.777 -7.951 7.368 533 2HG GLU 68 3HG GLU 68 5.889 -7.084 8.915 534 H ALA 69 H ALA 69 5.049 -5.262 5.984 535 HA ALA 69 HA ALA 69 3.529 -6.341 3.635 536 1HB ALA 69 1HB ALA 69 3.909 -4.092 2.621 537 2HB ALA 69 2HB ALA 69 3.008 -4.009 4.151 538 3HB ALA 69 3HB ALA 69 4.730 -3.579 4.114 539 H SER 70 H SER 70 4.540 -6.256 1.581 540 HA SER 70 HA SER 70 7.452 -6.154 1.321 541 1HB SER 70 2HB SER 70 5.951 -8.791 1.451 542 2HB SER 70 3HB SER 70 7.276 -8.624 0.338 543 HG SER 70 HG SER 70 7.468 -7.758 3.058 544 H LEU 71 H LEU 71 7.991 -5.889 -0.962 545 HA LEU 71 HA LEU 71 5.595 -5.101 -2.583 546 1HB LEU 71 2HB LEU 71 8.517 -4.524 -3.143 547 2HB LEU 71 3HB LEU 71 7.094 -3.921 -3.983 548 HG LEU 71 HG LEU 71 6.463 -3.008 -1.532 549 1HD1 LEU 71 1HD1 LEU 71 9.524 -3.097 -1.546 550 2HD1 LEU 71 2HD1 LEU 71 8.543 -2.131 -0.432 551 3HD1 LEU 71 3HD1 LEU 71 8.470 -3.895 -0.363 552 1HD2 LEU 71 1HD2 LEU 71 6.689 -1.642 -3.559 553 2HD2 LEU 71 2HD2 LEU 71 7.486 -0.857 -2.190 554 3HD2 LEU 71 3HD2 LEU 71 8.460 -1.694 -3.421 555 H VAL 72 H VAL 72 5.569 -7.652 -2.251 556 HA VAL 72 HA VAL 72 7.207 -9.410 -3.244 557 HB VAL 72 HB VAL 72 5.277 -10.973 -3.595 558 1HG1 VAL 72 1HG1 VAL 72 5.178 -9.321 -1.046 559 2HG1 VAL 72 2HG1 VAL 72 4.633 -10.993 -1.264 560 3HG1 VAL 72 3HG1 VAL 72 6.355 -10.602 -1.398 561 1HG2 VAL 72 1HG2 VAL 72 3.023 -10.232 -3.051 562 2HG2 VAL 72 2HG2 VAL 72 3.570 -8.558 -2.856 563 3HG2 VAL 72 3HG2 VAL 72 3.621 -9.324 -4.448 564 H LYS 73 H LYS 73 5.263 -7.600 -5.617 565 HA LYS 73 HA LYS 73 5.949 -9.545 -7.750 566 1HB LYS 73 2HB LYS 73 4.415 -6.969 -7.617 567 2HB LYS 73 3HB LYS 73 5.107 -7.469 -9.159 568 1HG LYS 73 2HG LYS 73 2.796 -8.236 -8.939 569 2HG LYS 73 3HG LYS 73 3.951 -9.554 -9.174 570 1HD LYS 73 2HD LYS 73 3.888 -10.094 -6.774 571 2HD LYS 73 3HD LYS 73 2.796 -8.719 -6.479 572 1HE LYS 73 2HE LYS 73 1.060 -9.782 -7.880 573 2HE LYS 73 3HE LYS 73 2.170 -11.100 -8.298 574 1HZ LYS 73 1HZ LYS 73 1.173 -10.523 -5.586 575 2HZ LYS 73 2HZ LYS 73 0.660 -11.742 -6.565 576 3HZ LYS 73 3HZ LYS 73 2.200 -11.744 -5.993 577 H ILE 74 H ILE 74 7.373 -6.641 -6.376 578 HA ILE 74 HA ILE 74 9.625 -6.803 -8.298 579 HB ILE 74 HB ILE 74 8.318 -4.177 -7.456 580 1HG1 ILE 74 2HG1 ILE 74 7.918 -4.178 -10.115 581 2HG1 ILE 74 3HG1 ILE 74 7.763 -5.909 -9.853 582 1HG2 ILE 74 1HG2 ILE 74 9.797 -3.221 -9.157 583 2HG2 ILE 74 2HG2 ILE 74 10.754 -4.108 -7.969 584 3HG2 ILE 74 3HG2 ILE 74 10.426 -4.834 -9.556 585 1HD1 ILE 74 1HD1 ILE 74 5.996 -5.284 -8.033 586 2HD1 ILE 74 2HD1 ILE 74 6.165 -3.627 -8.610 587 3HD1 ILE 74 3HD1 ILE 74 5.560 -4.875 -9.704 588 H GLU 75 H GLU 75 10.797 -7.896 -6.605 589 HA GLU 75 HA GLU 75 11.963 -6.083 -4.671 590 1HB GLU 75 2HB GLU 75 11.214 -8.928 -3.850 591 2HB GLU 75 3HB GLU 75 11.947 -7.650 -2.869 592 1HG GLU 75 2HG GLU 75 9.781 -6.319 -3.329 593 2HG GLU 75 3HG GLU 75 9.117 -7.863 -3.907 Start of MODEL 30 1 1H MET 1 H1 MET 1 11.050 4.414 -14.919 2 2H MET 1 H2 MET 1 12.204 4.350 -16.132 3 3H MET 1 H3 MET 1 12.602 4.189 -14.522 4 HA MET 1 HA MET 1 13.238 6.351 -15.005 5 1HB MET 1 2HB MET 1 10.457 6.560 -16.260 6 2HB MET 1 3HB MET 1 11.454 7.964 -15.827 7 1HG MET 1 2HG MET 1 13.237 7.185 -17.332 8 2HG MET 1 3HG MET 1 12.237 5.801 -17.812 9 1HE MET 1 1HE MET 1 12.597 6.442 -20.349 10 2HE MET 1 2HE MET 1 12.251 8.061 -21.004 11 3HE MET 1 3HE MET 1 13.589 7.839 -19.852 12 H GLY 2 H GLY 2 9.937 7.247 -14.376 13 1HA GLY 2 2HA GLY 2 9.850 6.529 -11.558 14 2HA GLY 2 1HA GLY 2 8.498 6.841 -12.666 15 H ASP 3 H ASP 3 7.921 4.840 -11.297 16 HA ASP 3 HA ASP 3 8.658 2.255 -12.635 17 1HB ASP 3 2HB ASP 3 9.686 2.366 -10.383 18 2HB ASP 3 3HB ASP 3 8.104 2.744 -9.675 19 H GLY 4 H GLY 4 6.262 4.230 -10.868 20 1HA GLY 4 2HA GLY 4 4.048 4.417 -11.025 21 2HA GLY 4 1HA GLY 4 4.256 3.727 -12.624 22 H VAL 5 H VAL 5 5.165 1.277 -10.425 23 HA VAL 5 HA VAL 5 2.530 0.593 -9.492 24 HB VAL 5 HB VAL 5 2.184 -0.234 -11.710 25 1HG1 VAL 5 1HG1 VAL 5 4.494 -0.477 -12.511 26 2HG1 VAL 5 2HG1 VAL 5 4.714 -1.882 -11.453 27 3HG1 VAL 5 3HG1 VAL 5 3.543 -1.945 -12.777 28 1HG2 VAL 5 1HG2 VAL 5 1.347 -1.565 -9.774 29 2HG2 VAL 5 2HG2 VAL 5 1.597 -2.508 -11.249 30 3HG2 VAL 5 3HG2 VAL 5 2.771 -2.618 -9.927 31 H LEU 6 H LEU 6 2.761 -0.267 -7.526 32 HA LEU 6 HA LEU 6 4.952 -2.182 -7.072 33 1HB LEU 6 2HB LEU 6 5.411 0.237 -6.260 34 2HB LEU 6 3HB LEU 6 4.094 -0.049 -5.118 35 HG LEU 6 HG LEU 6 6.189 -0.393 -4.056 36 1HD1 LEU 6 1HD1 LEU 6 5.248 -3.221 -4.493 37 2HD1 LEU 6 2HD1 LEU 6 5.944 -2.479 -3.044 38 3HD1 LEU 6 3HD1 LEU 6 4.313 -2.031 -3.551 39 1HD2 LEU 6 1HD2 LEU 6 7.568 -0.847 -6.079 40 2HD2 LEU 6 2HD2 LEU 6 7.913 -1.946 -4.728 41 3HD2 LEU 6 3HD2 LEU 6 6.942 -2.509 -6.095 42 H GLU 7 H GLU 7 3.813 -3.970 -6.920 43 HA GLU 7 HA GLU 7 1.321 -4.131 -5.350 44 1HB GLU 7 2HB GLU 7 2.312 -5.462 -7.594 45 2HB GLU 7 3HB GLU 7 2.701 -6.590 -6.293 46 1HG GLU 7 2HG GLU 7 0.537 -7.120 -7.014 47 2HG GLU 7 3HG GLU 7 0.274 -6.186 -5.509 48 H LEU 8 H LEU 8 1.540 -4.348 -3.093 49 HA LEU 8 HA LEU 8 3.811 -6.068 -2.212 50 1HB LEU 8 2HB LEU 8 4.288 -4.932 -0.276 51 2HB LEU 8 3HB LEU 8 4.451 -3.823 -1.630 52 HG LEU 8 HG LEU 8 3.744 -2.785 0.390 53 1HD1 LEU 8 1HD1 LEU 8 1.832 -1.498 -0.461 54 2HD1 LEU 8 2HD1 LEU 8 3.152 -1.658 -1.629 55 3HD1 LEU 8 3HD1 LEU 8 1.680 -2.627 -1.824 56 1HD2 LEU 8 1HD2 LEU 8 1.704 -3.091 1.493 57 2HD2 LEU 8 2HD2 LEU 8 1.072 -4.128 0.211 58 3HD2 LEU 8 3HD2 LEU 8 2.368 -4.724 1.266 59 H VAL 9 H VAL 9 3.435 -7.688 -0.805 60 HA VAL 9 HA VAL 9 0.591 -8.295 -0.416 61 HB VAL 9 HB VAL 9 2.200 -10.010 -1.066 62 1HG1 VAL 9 1HG1 VAL 9 4.096 -9.506 0.349 63 2HG1 VAL 9 2HG1 VAL 9 3.160 -9.949 1.809 64 3HG1 VAL 9 3HG1 VAL 9 3.552 -11.166 0.581 65 1HG2 VAL 9 1HG2 VAL 9 1.241 -11.760 0.410 66 2HG2 VAL 9 2HG2 VAL 9 0.610 -10.491 1.481 67 3HG2 VAL 9 3HG2 VAL 9 0.032 -10.630 -0.199 68 H VAL 10 H VAL 10 -0.555 -7.674 1.303 69 HA VAL 10 HA VAL 10 0.768 -6.190 3.496 70 HB VAL 10 HB VAL 10 -1.569 -5.568 4.140 71 1HG1 VAL 10 1HG1 VAL 10 0.014 -4.063 2.953 72 2HG1 VAL 10 2HG1 VAL 10 -0.641 -4.664 1.405 73 3HG1 VAL 10 3HG1 VAL 10 -1.675 -3.763 2.515 74 1HG2 VAL 10 1HG2 VAL 10 -2.853 -7.255 2.762 75 2HG2 VAL 10 2HG2 VAL 10 -3.296 -5.573 2.451 76 3HG2 VAL 10 3HG2 VAL 10 -2.266 -6.418 1.305 77 H ARG 11 H ARG 11 1.585 -7.681 4.798 78 HA ARG 11 HA ARG 11 0.043 -10.083 5.583 79 1HB ARG 11 2HB ARG 11 2.832 -9.068 5.860 80 2HB ARG 11 3HB ARG 11 2.262 -10.098 7.182 81 1HG ARG 11 2HG ARG 11 1.981 -10.931 4.277 82 2HG ARG 11 3HG ARG 11 3.502 -11.160 5.163 83 1HD ARG 11 2HD ARG 11 2.427 -12.464 6.887 84 2HD ARG 11 3HD ARG 11 0.821 -12.170 6.183 85 HE ARG 11 HE ARG 11 2.490 -13.359 4.209 86 1HH1 ARG 11 2HH2 ARG 11 0.934 -14.183 7.254 87 2HH1 ARG 11 1HH2 ARG 11 0.778 -15.881 6.927 88 1HH2 ARG 11 2HH1 ARG 11 2.314 -15.623 3.715 89 2HH2 ARG 11 1HH1 ARG 11 1.593 -16.715 4.849 90 H GLY 12 H GLY 12 -1.765 -8.945 6.340 91 1HA GLY 12 2HA GLY 12 -2.088 -8.931 9.034 92 2HA GLY 12 1HA GLY 12 -1.732 -7.238 8.584 93 H MET 13 H MET 13 -3.754 -6.376 8.508 94 HA MET 13 HA MET 13 -5.791 -5.883 7.942 95 1HB MET 13 2HB MET 13 -5.758 -7.827 5.610 96 2HB MET 13 3HB MET 13 -6.830 -6.452 5.892 97 1HG MET 13 2HG MET 13 -4.416 -5.175 5.982 98 2HG MET 13 3HG MET 13 -4.036 -6.488 4.879 99 1HE MET 13 1HE MET 13 -6.785 -5.939 2.087 100 2HE MET 13 2HE MET 13 -5.323 -6.864 2.516 101 3HE MET 13 3HE MET 13 -6.788 -7.012 3.499 102 H THR 14 H THR 14 -8.121 -6.845 7.711 103 HA THR 14 HA THR 14 -8.391 -9.500 8.983 104 HB THR 14 HB THR 14 -9.797 -8.462 10.804 105 HG1 THR 14 1HG THR 14 -8.401 -6.095 10.116 106 1HG2 THR 14 1HG2 THR 14 -7.966 -7.888 12.270 107 2HG2 THR 14 2HG2 THR 14 -7.424 -9.207 11.214 108 3HG2 THR 14 3HG2 THR 14 -6.882 -7.546 10.915 109 H CYS 15 H CYS 15 -10.628 -6.770 8.971 110 HA CYS 15 HA CYS 15 -12.435 -8.205 7.040 111 1HB CYS 15 2HB CYS 15 -12.809 -8.961 9.381 112 2HB CYS 15 3HB CYS 15 -13.146 -7.298 9.869 113 HG CYS 15 HG CYS 15 -15.421 -8.511 9.587 114 H ALA 16 H ALA 16 -12.642 -6.610 5.497 115 HA ALA 16 HA ALA 16 -12.752 -4.524 4.574 116 1HB ALA 16 1HB ALA 16 -15.110 -4.896 5.219 117 2HB ALA 16 2HB ALA 16 -14.828 -4.088 6.770 118 3HB ALA 16 3HB ALA 16 -14.687 -3.179 5.242 119 H SER 17 H SER 17 -13.536 -2.237 6.711 120 HA SER 17 HA SER 17 -12.408 -0.600 7.802 121 1HB SER 17 2HB SER 17 -11.691 -1.382 9.988 122 2HB SER 17 3HB SER 17 -13.159 -2.228 9.474 123 HG SER 17 HG SER 17 -11.817 -3.987 8.826 124 H CYS 18 H CYS 18 -9.950 -2.982 8.466 125 HA CYS 18 HA CYS 18 -7.582 -1.467 8.276 126 1HB CYS 18 2HB CYS 18 -8.208 -4.381 7.642 127 2HB CYS 18 3HB CYS 18 -6.564 -3.716 7.581 128 HG CYS 18 HG CYS 18 -8.658 -3.465 10.118 129 H VAL 19 H VAL 19 -9.420 -3.168 5.778 130 HA VAL 19 HA VAL 19 -7.925 -2.779 3.520 131 HB VAL 19 HB VAL 19 -10.928 -2.708 3.952 132 1HG1 VAL 19 1HG1 VAL 19 -9.474 -2.828 1.280 133 2HG1 VAL 19 2HG1 VAL 19 -11.194 -3.171 1.538 134 3HG1 VAL 19 3HG1 VAL 19 -10.576 -1.545 1.825 135 1HG2 VAL 19 1HG2 VAL 19 -9.693 -4.848 4.443 136 2HG2 VAL 19 2HG2 VAL 19 -10.795 -5.002 3.066 137 3HG2 VAL 19 3HG2 VAL 19 -9.052 -4.817 2.792 138 H HIS 20 H HIS 20 -10.531 -0.469 4.617 139 HA HIS 20 HA HIS 20 -9.511 1.396 2.691 140 1HB HIS 20 2HB HIS 20 -11.188 2.887 3.080 141 2HB HIS 20 3HB HIS 20 -11.849 1.263 2.935 142 HD1 HIS 20 1HD HIS 20 -13.973 2.755 4.030 143 HD2 HIS 20 2HD HIS 20 -10.634 2.052 6.441 144 HE1 HIS 20 1HE HIS 20 -14.637 3.339 6.422 145 H LYS 21 H LYS 21 -8.831 0.731 6.004 146 HA LYS 21 HA LYS 21 -8.022 3.242 6.938 147 1HB LYS 21 2HB LYS 21 -8.208 1.130 8.319 148 2HB LYS 21 3HB LYS 21 -6.694 0.572 7.582 149 1HG LYS 21 2HG LYS 21 -5.570 2.648 8.482 150 2HG LYS 21 3HG LYS 21 -7.062 2.998 9.365 151 1HD LYS 21 2HD LYS 21 -6.841 0.697 10.444 152 2HD LYS 21 3HD LYS 21 -5.286 0.512 9.606 153 1HE LYS 21 2HE LYS 21 -4.480 2.624 10.779 154 2HE LYS 21 3HE LYS 21 -6.005 2.644 11.676 155 1HZ LYS 21 1HZ LYS 21 -5.345 0.420 12.539 156 2HZ LYS 21 2HZ LYS 21 -3.854 0.613 11.852 157 3HZ LYS 21 3HZ LYS 21 -4.351 1.645 12.994 158 H ILE 22 H ILE 22 -6.270 0.701 5.161 159 HA ILE 22 HA ILE 22 -3.781 2.051 4.813 160 HB ILE 22 HB ILE 22 -5.247 0.004 3.111 161 1HG1 ILE 22 2HG1 ILE 22 -2.881 -0.188 5.006 162 2HG1 ILE 22 3HG1 ILE 22 -4.538 -0.597 5.457 163 1HG2 ILE 22 1HG2 ILE 22 -2.408 1.072 2.858 164 2HG2 ILE 22 2HG2 ILE 22 -3.016 -0.363 2.003 165 3HG2 ILE 22 3HG2 ILE 22 -3.689 1.215 1.647 166 1HD1 ILE 22 1HD1 ILE 22 -4.616 -2.317 3.703 167 2HD1 ILE 22 2HD1 ILE 22 -2.880 -2.056 3.393 168 3HD1 ILE 22 3HD1 ILE 22 -3.421 -2.650 4.968 169 H GLU 23 H GLU 23 -6.450 1.784 2.379 170 HA GLU 23 HA GLU 23 -5.118 3.477 0.639 171 1HB GLU 23 2HB GLU 23 -7.017 3.329 -0.766 172 2HB GLU 23 3HB GLU 23 -6.965 1.839 0.196 173 1HG GLU 23 2HG GLU 23 -9.185 2.343 0.214 174 2HG GLU 23 3HG GLU 23 -8.568 2.944 1.765 175 H SER 24 H SER 24 -7.720 4.417 2.910 176 HA SER 24 HA SER 24 -7.663 7.179 2.122 177 1HB SER 24 2HB SER 24 -9.625 6.083 3.112 178 2HB SER 24 3HB SER 24 -8.763 5.813 4.637 179 HG SER 24 HG SER 24 -10.167 7.723 4.503 180 H SER 25 H SER 25 -5.574 5.274 4.242 181 HA SER 25 HA SER 25 -4.370 7.625 5.475 182 1HB SER 25 2HB SER 25 -4.080 5.455 6.489 183 2HB SER 25 3HB SER 25 -3.115 4.920 5.101 184 HG SER 25 HG SER 25 -1.606 6.505 5.605 185 H LEU 26 H LEU 26 -3.453 5.426 2.745 186 HA LEU 26 HA LEU 26 -1.172 6.982 2.296 187 1HB LEU 26 2HB LEU 26 -2.093 5.336 0.010 188 2HB LEU 26 3HB LEU 26 -0.469 5.661 0.639 189 HG LEU 26 HG LEU 26 -2.568 3.838 1.776 190 1HD1 LEU 26 1HD1 LEU 26 0.051 3.345 0.374 191 2HD1 LEU 26 2HD1 LEU 26 -1.094 2.084 0.926 192 3HD1 LEU 26 3HD1 LEU 26 -1.560 3.231 -0.351 193 1HD2 LEU 26 1HD2 LEU 26 -1.126 4.727 3.626 194 2HD2 LEU 26 2HD2 LEU 26 -0.731 3.030 3.312 195 3HD2 LEU 26 3HD2 LEU 26 0.326 4.316 2.692 196 H THR 27 H THR 27 -4.190 6.799 0.357 197 HA THR 27 HA THR 27 -3.408 7.893 -2.032 198 HB THR 27 HB THR 27 -5.808 8.768 -2.097 199 HG1 THR 27 1HG THR 27 -6.225 7.307 0.241 200 1HG2 THR 27 1HG2 THR 27 -5.286 5.855 -1.378 201 2HG2 THR 27 2HG2 THR 27 -6.790 6.478 -2.080 202 3HG2 THR 27 3HG2 THR 27 -5.272 6.582 -2.994 203 H LYS 28 H LYS 28 -3.820 9.595 0.876 204 HA LYS 28 HA LYS 28 -4.075 12.287 0.037 205 1HB LYS 28 2HB LYS 28 -2.895 11.168 2.615 206 2HB LYS 28 3HB LYS 28 -3.684 12.727 2.358 207 1HG LYS 28 2HG LYS 28 -5.665 11.025 1.454 208 2HG LYS 28 3HG LYS 28 -4.884 9.934 2.523 209 1HD LYS 28 2HD LYS 28 -5.960 12.688 3.311 210 2HD LYS 28 3HD LYS 28 -6.733 11.132 3.636 211 1HE LYS 28 2HE LYS 28 -4.074 12.130 4.782 212 2HE LYS 28 3HE LYS 28 -5.594 11.852 5.648 213 1HZ LYS 28 1HZ LYS 28 -4.228 9.979 6.009 214 2HZ LYS 28 2HZ LYS 28 -5.377 9.496 4.910 215 3HZ LYS 28 3HZ LYS 28 -3.861 9.792 4.412 216 H HIS 29 H HIS 29 -1.170 10.248 0.688 217 HA HIS 29 HA HIS 29 0.711 12.435 0.476 218 1HB HIS 29 2HB HIS 29 1.364 9.640 -0.397 219 2HB HIS 29 3HB HIS 29 2.417 10.864 0.316 220 HD1 HIS 29 1HD HIS 29 2.337 10.931 3.095 221 HD2 HIS 29 2HD HIS 29 0.555 7.774 1.011 222 HE1 HIS 29 1HE HIS 29 2.210 8.917 4.695 223 H ARG 30 H ARG 30 1.377 13.437 -1.392 224 HA ARG 30 HA ARG 30 -0.284 13.291 -3.612 225 1HB ARG 30 2HB ARG 30 1.434 14.920 -4.576 226 2HB ARG 30 3HB ARG 30 0.981 15.340 -2.921 227 1HG ARG 30 2HG ARG 30 3.041 14.689 -2.020 228 2HG ARG 30 3HG ARG 30 3.309 13.452 -3.237 229 1HD ARG 30 2HD ARG 30 3.684 15.383 -4.909 230 2HD ARG 30 3HD ARG 30 3.861 16.390 -3.449 231 HE ARG 30 HE ARG 30 5.397 13.844 -3.515 232 1HH1 ARG 30 2HH2 ARG 30 5.602 17.259 -4.398 233 2HH1 ARG 30 1HH2 ARG 30 7.341 17.273 -4.435 234 1HH2 ARG 30 2HH1 ARG 30 7.532 13.802 -3.580 235 2HH2 ARG 30 1HH1 ARG 30 8.520 15.195 -3.964 236 H GLY 31 H GLY 31 2.077 11.005 -3.059 237 1HA GLY 31 2HA GLY 31 2.971 10.824 -5.856 238 2HA GLY 31 1HA GLY 31 3.581 9.890 -4.512 239 H ILE 32 H ILE 32 0.423 9.643 -3.882 240 HA ILE 32 HA ILE 32 0.471 6.921 -4.966 241 HB ILE 32 HB ILE 32 -1.462 8.264 -3.050 242 1HG1 ILE 32 2HG1 ILE 32 0.964 8.344 -2.266 243 2HG1 ILE 32 3HG1 ILE 32 -0.214 7.549 -1.239 244 1HG2 ILE 32 1HG2 ILE 32 -1.800 5.894 -2.293 245 2HG2 ILE 32 2HG2 ILE 32 -2.340 6.175 -3.965 246 3HG2 ILE 32 3HG2 ILE 32 -0.797 5.342 -3.646 247 1HD1 ILE 32 1HD1 ILE 32 1.934 6.429 -1.409 248 2HD1 ILE 32 2HD1 ILE 32 0.550 5.388 -1.798 249 3HD1 ILE 32 3HD1 ILE 32 1.587 6.030 -3.108 250 H LEU 33 H LEU 33 -0.264 6.717 -7.010 251 HA LEU 33 HA LEU 33 -2.282 8.552 -8.119 252 1HB LEU 33 2HB LEU 33 -1.022 6.080 -9.361 253 2HB LEU 33 3HB LEU 33 -1.876 7.379 -10.191 254 HG LEU 33 HG LEU 33 0.812 7.645 -8.747 255 1HD1 LEU 33 1HD1 LEU 33 0.938 6.305 -10.804 256 2HD1 LEU 33 2HD1 LEU 33 0.143 7.610 -11.714 257 3HD1 LEU 33 3HD1 LEU 33 1.749 7.867 -10.997 258 1HD2 LEU 33 1HD2 LEU 33 0.908 9.873 -9.853 259 2HD2 LEU 33 2HD2 LEU 33 -0.768 9.665 -10.401 260 3HD2 LEU 33 3HD2 LEU 33 -0.395 9.780 -8.665 261 H TYR 34 H TYR 34 -2.020 5.104 -7.029 262 HA TYR 34 HA TYR 34 -4.855 5.152 -6.545 263 1HB TYR 34 2HB TYR 34 -4.420 4.428 -9.048 264 2HB TYR 34 3HB TYR 34 -3.733 2.959 -8.347 265 HD1 TYR 34 HD1 TYR 34 -6.769 5.112 -7.786 266 HD2 TYR 34 HD2 TYR 34 -5.204 1.155 -8.505 267 HE1 TYR 34 HE1 TYR 34 -9.003 4.190 -7.513 268 HE2 TYR 34 HE2 TYR 34 -7.475 0.247 -8.448 269 HH TYR 34 HH TYR 34 -9.732 0.699 -8.080 270 H CYS 35 H CYS 35 -5.420 3.582 -5.005 271 HA CYS 35 HA CYS 35 -3.327 1.705 -4.013 272 1HB CYS 35 2HB CYS 35 -3.221 3.697 -2.517 273 2HB CYS 35 3HB CYS 35 -4.984 3.586 -2.282 274 HG CYS 35 HG CYS 35 -2.523 1.635 -1.408 275 H SER 36 H SER 36 -4.341 -0.161 -4.563 276 HA SER 36 HA SER 36 -7.212 -0.488 -3.827 277 1HB SER 36 2HB SER 36 -6.765 -0.344 -6.281 278 2HB SER 36 3HB SER 36 -5.855 -1.853 -6.156 279 HG SER 36 HG SER 36 -8.580 -1.438 -5.435 280 H VAL 37 H VAL 37 -7.055 -1.591 -1.903 281 HA VAL 37 HA VAL 37 -5.117 -3.820 -1.776 282 HB VAL 37 HB VAL 37 -4.737 -1.897 -0.221 283 1HG1 VAL 37 1HG1 VAL 37 -7.151 -2.997 1.271 284 2HG1 VAL 37 2HG1 VAL 37 -6.052 -1.727 1.805 285 3HG1 VAL 37 3HG1 VAL 37 -7.118 -1.433 0.417 286 1HG2 VAL 37 1HG2 VAL 37 -4.229 -3.357 1.689 287 2HG2 VAL 37 2HG2 VAL 37 -5.245 -4.637 0.984 288 3HG2 VAL 37 3HG2 VAL 37 -3.776 -4.108 0.166 289 H ALA 38 H ALA 38 -5.758 -5.827 -1.595 290 HA ALA 38 HA ALA 38 -8.702 -6.331 -1.295 291 1HB ALA 38 1HB ALA 38 -6.696 -7.445 -3.276 292 2HB ALA 38 2HB ALA 38 -8.359 -8.041 -3.060 293 3HB ALA 38 3HB ALA 38 -8.072 -6.380 -3.620 294 H LEU 39 H LEU 39 -8.890 -7.278 0.623 295 HA LEU 39 HA LEU 39 -7.286 -9.035 2.059 296 1HB LEU 39 2HB LEU 39 -10.285 -8.867 1.594 297 2HB LEU 39 3HB LEU 39 -9.627 -10.163 2.590 298 HG LEU 39 HG LEU 39 -9.002 -7.261 3.184 299 1HD1 LEU 39 1HD1 LEU 39 -11.288 -8.950 4.277 300 2HD1 LEU 39 2HD1 LEU 39 -10.783 -7.355 4.876 301 3HD1 LEU 39 3HD1 LEU 39 -11.444 -7.516 3.236 302 1HD2 LEU 39 1HD2 LEU 39 -9.035 -9.788 4.923 303 2HD2 LEU 39 2HD2 LEU 39 -7.562 -9.064 4.271 304 3HD2 LEU 39 3HD2 LEU 39 -8.541 -8.169 5.442 305 H ALA 40 H ALA 40 -9.248 -9.723 -0.811 306 HA ALA 40 HA ALA 40 -9.357 -12.513 -0.726 307 1HB ALA 40 1HB ALA 40 -9.675 -12.379 -3.163 308 2HB ALA 40 2HB ALA 40 -10.599 -11.101 -2.341 309 3HB ALA 40 3HB ALA 40 -9.067 -10.712 -3.167 310 H THR 41 H THR 41 -6.629 -10.439 -1.497 311 HA THR 41 HA THR 41 -4.945 -12.823 -2.078 312 HB THR 41 HB THR 41 -5.444 -11.917 -4.196 313 HG1 THR 41 1HG THR 41 -2.946 -11.218 -3.194 314 1HG2 THR 41 1HG2 THR 41 -4.907 -9.130 -3.129 315 2HG2 THR 41 2HG2 THR 41 -5.210 -9.571 -4.831 316 3HG2 THR 41 3HG2 THR 41 -6.470 -9.805 -3.643 317 H ASN 42 H ASN 42 -5.576 -10.906 0.302 318 HA ASN 42 HA ASN 42 -4.601 -9.252 1.578 319 1HB ASN 42 2HB ASN 42 -2.817 -11.697 1.741 320 2HB ASN 42 3HB ASN 42 -2.528 -10.292 2.766 321 1HD2 ASN 42 1HD2 ASN 42 -3.927 -9.747 4.516 322 2HD2 ASN 42 2HD2 ASN 42 -5.184 -10.855 4.990 323 H LYS 43 H LYS 43 -4.165 -8.170 -0.788 324 HA LYS 43 HA LYS 43 -1.315 -7.301 -0.710 325 1HB LYS 43 2HB LYS 43 -0.996 -8.881 -2.296 326 2HB LYS 43 3HB LYS 43 -2.650 -8.861 -2.873 327 1HG LYS 43 2HG LYS 43 -0.892 -6.494 -3.466 328 2HG LYS 43 3HG LYS 43 -0.722 -7.981 -4.372 329 1HD LYS 43 2HD LYS 43 -3.543 -6.920 -4.000 330 2HD LYS 43 3HD LYS 43 -2.489 -6.080 -5.143 331 1HE LYS 43 2HE LYS 43 -3.022 -9.086 -5.194 332 2HE LYS 43 3HE LYS 43 -3.975 -7.891 -6.098 333 1HZ LYS 43 1HZ LYS 43 -2.295 -8.837 -7.483 334 2HZ LYS 43 2HZ LYS 43 -1.977 -7.244 -7.244 335 3HZ LYS 43 3HZ LYS 43 -1.096 -8.363 -6.460 336 H ALA 44 H ALA 44 -0.870 -5.304 -1.291 337 HA ALA 44 HA ALA 44 -3.088 -3.447 -2.016 338 1HB ALA 44 1HB ALA 44 -1.660 -1.655 -1.257 339 2HB ALA 44 2HB ALA 44 -1.893 -2.811 0.063 340 3HB ALA 44 3HB ALA 44 -0.376 -2.794 -0.845 341 H HIS 45 H HIS 45 -3.219 -3.273 -4.120 342 HA HIS 45 HA HIS 45 -0.853 -3.091 -5.929 343 1HB HIS 45 2HB HIS 45 -3.069 -4.235 -6.563 344 2HB HIS 45 3HB HIS 45 -3.812 -2.645 -6.431 345 HD1 HIS 45 1HD HIS 45 -2.277 -4.795 -8.916 346 HD2 HIS 45 2HD HIS 45 -1.930 -0.838 -7.922 347 HE1 HIS 45 1HE HIS 45 -1.535 -3.629 -11.066 348 H ILE 46 H ILE 46 0.325 -1.326 -5.381 349 HA ILE 46 HA ILE 46 -1.233 1.206 -5.103 350 HB ILE 46 HB ILE 46 1.584 0.750 -4.142 351 1HG1 ILE 46 2HG1 ILE 46 -1.093 0.619 -2.680 352 2HG1 ILE 46 3HG1 ILE 46 0.086 -0.702 -2.860 353 1HG2 ILE 46 1HG2 ILE 46 -0.496 2.894 -3.474 354 2HG2 ILE 46 2HG2 ILE 46 1.246 2.935 -3.118 355 3HG2 ILE 46 3HG2 ILE 46 0.677 3.097 -4.777 356 1HD1 ILE 46 1HD1 ILE 46 0.297 0.244 -0.647 357 2HD1 ILE 46 2HD1 ILE 46 1.750 0.612 -1.621 358 3HD1 ILE 46 3HD1 ILE 46 0.512 1.864 -1.325 359 H LYS 47 H LYS 47 -1.282 2.274 -6.906 360 HA LYS 47 HA LYS 47 0.975 2.202 -8.845 361 1HB LYS 47 2HB LYS 47 -1.719 3.548 -8.834 362 2HB LYS 47 3HB LYS 47 -0.533 3.736 -10.127 363 1HG LYS 47 2HG LYS 47 -1.844 1.109 -9.291 364 2HG LYS 47 3HG LYS 47 -2.458 2.130 -10.584 365 1HD LYS 47 2HD LYS 47 0.337 0.937 -10.577 366 2HD LYS 47 3HD LYS 47 -1.056 0.139 -11.294 367 1HE LYS 47 2HE LYS 47 -1.385 1.808 -12.954 368 2HE LYS 47 3HE LYS 47 -0.259 2.935 -12.178 369 1HZ LYS 47 1HZ LYS 47 0.591 0.357 -13.305 370 2HZ LYS 47 2HZ LYS 47 0.735 1.824 -14.059 371 3HZ LYS 47 3HZ LYS 47 1.515 1.557 -12.636 372 H TYR 48 H TYR 48 2.651 3.459 -7.995 373 HA TYR 48 HA TYR 48 2.105 6.222 -7.300 374 1HB TYR 48 2HB TYR 48 3.056 6.251 -5.176 375 2HB TYR 48 3HB TYR 48 2.046 4.835 -5.118 376 HD1 TYR 48 HD1 TYR 48 3.072 2.628 -4.737 377 HD2 TYR 48 HD2 TYR 48 5.533 6.097 -5.394 378 HE1 TYR 48 HE1 TYR 48 5.050 1.455 -3.843 379 HE2 TYR 48 HE2 TYR 48 7.552 4.718 -5.066 380 HH TYR 48 HH TYR 48 7.379 1.264 -4.339 381 H ASP 49 H ASP 49 4.379 7.363 -7.262 382 HA ASP 49 HA ASP 49 6.370 5.740 -8.725 383 1HB ASP 49 2HB ASP 49 5.250 8.405 -9.486 384 2HB ASP 49 3HB ASP 49 6.990 8.170 -9.717 385 HA PRO 50 HA PRO 50 8.887 6.545 -5.413 386 1HB PRO 50 2HB PRO 50 11.235 5.378 -6.163 387 2HB PRO 50 3HB PRO 50 9.710 4.456 -6.149 388 1HG PRO 50 2HG PRO 50 10.912 5.899 -8.539 389 2HG PRO 50 3HG PRO 50 10.477 4.165 -8.425 390 1HD PRO 50 2HD PRO 50 8.720 5.962 -9.441 391 2HD PRO 50 3HD PRO 50 8.178 4.649 -8.346 392 H GLU 51 H GLU 51 8.558 8.920 -6.558 393 HA GLU 51 HA GLU 51 11.080 10.378 -6.133 394 1HB GLU 51 2HB GLU 51 10.842 11.542 -8.374 395 2HB GLU 51 3HB GLU 51 11.433 9.880 -8.414 396 1HG GLU 51 2HG GLU 51 9.213 9.058 -9.119 397 2HG GLU 51 3HG GLU 51 8.578 10.719 -9.089 398 H ILE 52 H ILE 52 7.669 10.531 -7.194 399 HA ILE 52 HA ILE 52 7.213 13.098 -5.890 400 HB ILE 52 HB ILE 52 4.804 12.449 -6.193 401 1HG1 ILE 52 2HG1 ILE 52 5.961 10.265 -8.012 402 2HG1 ILE 52 3HG1 ILE 52 5.015 10.016 -6.543 403 1HG2 ILE 52 1HG2 ILE 52 6.115 14.024 -7.627 404 2HG2 ILE 52 2HG2 ILE 52 6.550 12.664 -8.686 405 3HG2 ILE 52 3HG2 ILE 52 4.859 13.194 -8.542 406 1HD1 ILE 52 1HD1 ILE 52 3.210 11.510 -7.829 407 2HD1 ILE 52 2HD1 ILE 52 4.169 11.072 -9.250 408 3HD1 ILE 52 3HD1 ILE 52 3.430 9.799 -8.266 409 H ILE 53 H ILE 53 7.095 9.627 -5.133 410 HA ILE 53 HA ILE 53 7.192 10.528 -2.323 411 HB ILE 53 HB ILE 53 4.922 9.992 -2.827 412 1HG1 ILE 53 2HG1 ILE 53 6.208 8.125 -0.854 413 2HG1 ILE 53 3HG1 ILE 53 5.930 9.894 -0.720 414 1HG2 ILE 53 1HG2 ILE 53 5.337 8.074 -4.459 415 2HG2 ILE 53 2HG2 ILE 53 5.465 7.024 -3.002 416 3HG2 ILE 53 3HG2 ILE 53 3.995 7.920 -3.324 417 1HD1 ILE 53 1HD1 ILE 53 4.088 8.797 0.423 418 2HD1 ILE 53 2HD1 ILE 53 3.500 9.473 -1.122 419 3HD1 ILE 53 3HD1 ILE 53 3.804 7.730 -0.970 420 H GLY 54 H GLY 54 7.257 7.127 -3.333 421 1HA GLY 54 2HA GLY 54 9.747 6.252 -3.478 422 2HA GLY 54 1HA GLY 54 9.805 6.948 -1.860 423 HA PRO 55 HA PRO 55 7.561 2.722 -1.674 424 1HB PRO 55 2HB PRO 55 9.706 1.126 -0.884 425 2HB PRO 55 3HB PRO 55 9.079 1.228 -2.543 426 1HG PRO 55 2HG PRO 55 11.491 2.613 -1.394 427 2HG PRO 55 3HG PRO 55 11.283 1.884 -3.003 428 1HD PRO 55 2HD PRO 55 11.092 4.581 -2.573 429 2HD PRO 55 3HD PRO 55 10.119 3.748 -3.817 430 H ARG 56 H ARG 56 10.534 3.589 0.055 431 HA ARG 56 HA ARG 56 10.267 2.988 2.593 432 1HB ARG 56 2HB ARG 56 11.199 5.409 3.097 433 2HB ARG 56 3HB ARG 56 12.152 4.230 2.195 434 1HG ARG 56 2HG ARG 56 11.726 5.273 0.102 435 2HG ARG 56 3HG ARG 56 10.423 6.270 0.763 436 1HD ARG 56 2HD ARG 56 12.037 7.577 2.076 437 2HD ARG 56 3HD ARG 56 13.347 6.510 1.561 438 HE ARG 56 HE ARG 56 13.502 7.615 -0.436 439 1HH1 ARG 56 2HH2 ARG 56 10.414 8.559 1.093 440 2HH1 ARG 56 1HH2 ARG 56 9.745 9.262 -0.286 441 1HH2 ARG 56 2HH1 ARG 56 12.662 8.786 -2.345 442 2HH2 ARG 56 1HH1 ARG 56 11.017 9.388 -2.232 443 H ASP 57 H ASP 57 8.606 5.930 1.370 444 HA ASP 57 HA ASP 57 7.601 6.700 3.893 445 1HB ASP 57 2HB ASP 57 6.362 7.351 1.200 446 2HB ASP 57 3HB ASP 57 6.284 8.311 2.679 447 H ILE 58 H ILE 58 6.105 4.957 1.143 448 HA ILE 58 HA ILE 58 3.559 4.559 2.423 449 HB ILE 58 HB ILE 58 4.873 3.027 0.141 450 1HG1 ILE 58 2HG1 ILE 58 2.472 4.731 -0.154 451 2HG1 ILE 58 3HG1 ILE 58 4.016 5.587 0.054 452 1HG2 ILE 58 1HG2 ILE 58 2.532 2.241 -0.253 453 2HG2 ILE 58 2HG2 ILE 58 3.289 1.521 1.168 454 3HG2 ILE 58 3HG2 ILE 58 2.106 2.836 1.368 455 1HD1 ILE 58 1HD1 ILE 58 3.454 3.472 -2.050 456 2HD1 ILE 58 2HD1 ILE 58 3.678 5.214 -2.333 457 3HD1 ILE 58 3HD1 ILE 58 5.033 4.238 -1.764 458 H ILE 59 H ILE 59 6.492 2.499 2.112 459 HA ILE 59 HA ILE 59 5.495 0.253 3.504 460 HB ILE 59 HB ILE 59 8.328 1.359 3.450 461 1HG1 ILE 59 2HG1 ILE 59 7.581 0.804 1.205 462 2HG1 ILE 59 3HG1 ILE 59 8.751 -0.379 1.760 463 1HG2 ILE 59 1HG2 ILE 59 9.012 -0.983 4.035 464 2HG2 ILE 59 2HG2 ILE 59 8.202 -0.119 5.341 465 3HG2 ILE 59 3HG2 ILE 59 7.315 -1.339 4.417 466 1HD1 ILE 59 1HD1 ILE 59 5.726 -0.743 1.568 467 2HD1 ILE 59 2HD1 ILE 59 6.959 -1.454 0.533 468 3HD1 ILE 59 3HD1 ILE 59 6.856 -1.953 2.229 469 H HIS 60 H HIS 60 7.325 3.003 4.973 470 HA HIS 60 HA HIS 60 7.011 2.269 7.660 471 1HB HIS 60 2HB HIS 60 7.074 5.018 6.367 472 2HB HIS 60 3HB HIS 60 7.131 4.737 8.108 473 HD1 HIS 60 1HD HIS 60 9.405 5.105 5.281 474 HD2 HIS 60 2HD HIS 60 9.292 2.994 8.907 475 HE1 HIS 60 1HE HIS 60 11.849 4.629 5.920 476 H THR 61 H THR 61 4.796 4.149 5.526 477 HA THR 61 HA THR 61 2.886 4.703 7.545 478 HB THR 61 HB THR 61 2.471 4.442 4.547 479 HG1 THR 61 1HG THR 61 4.009 5.987 5.090 480 1HG2 THR 61 1HG2 THR 61 0.341 4.413 5.632 481 2HG2 THR 61 2HG2 THR 61 0.795 5.750 6.722 482 3HG2 THR 61 3HG2 THR 61 0.610 6.036 4.977 483 H ILE 62 H ILE 62 3.126 1.852 5.333 484 HA ILE 62 HA ILE 62 0.639 0.693 6.123 485 HB ILE 62 HB ILE 62 3.131 -0.554 4.945 486 1HG1 ILE 62 2HG1 ILE 62 1.903 1.201 3.548 487 2HG1 ILE 62 3HG1 ILE 62 2.149 -0.383 2.821 488 1HG2 ILE 62 1HG2 ILE 62 0.343 -1.725 5.306 489 2HG2 ILE 62 2HG2 ILE 62 1.562 -2.406 4.219 490 3HG2 ILE 62 3HG2 ILE 62 1.864 -2.348 5.959 491 1HD1 ILE 62 1HD1 ILE 62 -0.200 -0.964 3.208 492 2HD1 ILE 62 2HD1 ILE 62 -0.447 0.554 4.110 493 3HD1 ILE 62 3HD1 ILE 62 -0.070 0.584 2.376 494 H GLU 63 H GLU 63 3.995 0.007 7.334 495 HA GLU 63 HA GLU 63 3.063 -1.808 9.382 496 1HB GLU 63 2HB GLU 63 5.376 -0.639 10.423 497 2HB GLU 63 3HB GLU 63 5.233 -2.176 9.586 498 1HG GLU 63 2HG GLU 63 5.836 -1.185 7.463 499 2HG GLU 63 3HG GLU 63 5.773 0.439 8.186 500 H SER 64 H SER 64 3.799 1.666 9.492 501 HA SER 64 HA SER 64 3.200 2.116 12.176 502 1HB SER 64 2HB SER 64 4.259 3.753 10.751 503 2HB SER 64 3HB SER 64 2.807 3.947 9.772 504 HG SER 64 HG SER 64 1.805 4.627 11.868 505 H LEU 65 H LEU 65 0.812 2.024 9.398 506 HA LEU 65 HA LEU 65 -1.426 2.509 11.129 507 1HB LEU 65 2HB LEU 65 -1.172 1.111 8.457 508 2HB LEU 65 3HB LEU 65 -2.715 1.554 9.188 509 HG LEU 65 HG LEU 65 -0.595 3.691 8.728 510 1HD1 LEU 65 1HD1 LEU 65 -1.607 4.027 6.521 511 2HD1 LEU 65 2HD1 LEU 65 -0.826 2.445 6.674 512 3HD1 LEU 65 3HD1 LEU 65 -2.606 2.572 6.745 513 1HD2 LEU 65 1HD2 LEU 65 -3.624 3.826 8.752 514 2HD2 LEU 65 2HD2 LEU 65 -2.568 4.252 10.122 515 3HD2 LEU 65 3HD2 LEU 65 -2.483 5.176 8.617 516 H GLY 66 H GLY 66 0.064 -0.540 9.848 517 1HA GLY 66 2HA GLY 66 -0.944 -1.969 12.160 518 2HA GLY 66 1HA GLY 66 -1.856 -2.365 10.708 519 H PHE 67 H PHE 67 0.511 -2.271 8.890 520 HA PHE 67 HA PHE 67 0.548 -5.202 9.429 521 1HB PHE 67 2HB PHE 67 0.155 -3.891 6.758 522 2HB PHE 67 3HB PHE 67 -0.418 -5.446 7.318 523 HD1 PHE 67 1HD PHE 67 -1.210 -1.939 6.872 524 HD2 PHE 67 2HD PHE 67 -2.129 -5.227 9.461 525 HE1 PHE 67 1HE PHE 67 -3.369 -0.895 7.435 526 HE2 PHE 67 2HE PHE 67 -4.380 -4.275 9.884 527 HZ PHE 67 HZ PHE 67 -5.052 -2.143 8.753 528 H GLU 68 H GLU 68 1.952 -6.596 8.106 529 HA GLU 68 HA GLU 68 4.603 -5.375 7.576 530 1HB GLU 68 2HB GLU 68 4.839 -7.453 8.546 531 2HB GLU 68 3HB GLU 68 3.482 -8.154 7.711 532 1HG GLU 68 2HG GLU 68 5.619 -9.095 6.927 533 2HG GLU 68 3HG GLU 68 4.824 -8.253 5.595 534 H ALA 69 H ALA 69 5.445 -5.164 5.455 535 HA ALA 69 HA ALA 69 3.351 -4.852 3.338 536 1HB ALA 69 1HB ALA 69 5.500 -2.871 4.140 537 2HB ALA 69 2HB ALA 69 4.258 -2.671 2.873 538 3HB ALA 69 3HB ALA 69 3.798 -2.756 4.595 539 H SER 70 H SER 70 4.379 -6.914 2.693 540 HA SER 70 HA SER 70 7.263 -6.795 2.001 541 1HB SER 70 2HB SER 70 5.241 -9.001 2.129 542 2HB SER 70 3HB SER 70 6.845 -9.226 1.393 543 HG SER 70 HG SER 70 6.682 -7.989 3.933 544 H LEU 71 H LEU 71 7.559 -5.506 0.316 545 HA LEU 71 HA LEU 71 5.932 -5.343 -2.045 546 1HB LEU 71 2HB LEU 71 7.761 -3.978 -2.923 547 2HB LEU 71 3HB LEU 71 7.167 -3.443 -1.353 548 HG LEU 71 HG LEU 71 9.477 -5.274 -1.103 549 1HD1 LEU 71 1HD1 LEU 71 10.124 -4.217 -3.232 550 2HD1 LEU 71 2HD1 LEU 71 9.843 -2.605 -2.533 551 3HD1 LEU 71 3HD1 LEU 71 11.145 -3.638 -1.904 552 1HD2 LEU 71 1HD2 LEU 71 10.256 -3.527 0.425 553 2HD2 LEU 71 2HD2 LEU 71 9.043 -2.389 -0.187 554 3HD2 LEU 71 3HD2 LEU 71 8.538 -3.811 0.745 555 H VAL 72 H VAL 72 5.744 -7.642 -2.296 556 HA VAL 72 HA VAL 72 7.554 -9.215 -3.764 557 HB VAL 72 HB VAL 72 5.467 -10.214 -4.742 558 1HG1 VAL 72 1HG1 VAL 72 6.398 -10.992 -2.611 559 2HG1 VAL 72 2HG1 VAL 72 5.418 -9.800 -1.735 560 3HG1 VAL 72 3HG1 VAL 72 4.630 -11.108 -2.638 561 1HG2 VAL 72 1HG2 VAL 72 3.280 -9.546 -4.007 562 2HG2 VAL 72 2HG2 VAL 72 3.934 -8.186 -3.092 563 3HG2 VAL 72 3HG2 VAL 72 4.033 -8.201 -4.865 564 H LYS 73 H LYS 73 5.656 -6.435 -4.804 565 HA LYS 73 HA LYS 73 5.693 -5.074 -6.493 566 1HB LYS 73 2HB LYS 73 8.057 -4.866 -6.219 567 2HB LYS 73 3HB LYS 73 8.376 -6.252 -7.282 568 1HG LYS 73 2HG LYS 73 7.559 -5.132 -9.200 569 2HG LYS 73 3HG LYS 73 6.711 -3.902 -8.247 570 1HD LYS 73 2HD LYS 73 8.784 -2.818 -7.635 571 2HD LYS 73 3HD LYS 73 9.736 -4.143 -8.321 572 1HE LYS 73 2HE LYS 73 9.680 -2.144 -9.805 573 2HE LYS 73 3HE LYS 73 9.025 -3.591 -10.585 574 1HZ LYS 73 1HZ LYS 73 7.791 -1.582 -10.983 575 2HZ LYS 73 2HZ LYS 73 6.821 -2.731 -10.296 576 3HZ LYS 73 3HZ LYS 73 7.383 -1.375 -9.464 577 H ILE 74 H ILE 74 6.849 -8.158 -7.886 578 HA ILE 74 HA ILE 74 6.094 -9.460 -9.538 579 HB ILE 74 HB ILE 74 3.428 -7.994 -9.460 580 1HG1 ILE 74 2HG1 ILE 74 4.403 -10.441 -7.905 581 2HG1 ILE 74 3HG1 ILE 74 4.044 -8.852 -7.217 582 1HG2 ILE 74 1HG2 ILE 74 2.557 -10.028 -10.482 583 2HG2 ILE 74 2HG2 ILE 74 3.844 -9.386 -11.487 584 3HG2 ILE 74 3HG2 ILE 74 4.167 -10.779 -10.438 585 1HD1 ILE 74 1HD1 ILE 74 1.674 -9.083 -8.021 586 2HD1 ILE 74 2HD1 ILE 74 2.041 -10.778 -8.425 587 3HD1 ILE 74 3HD1 ILE 74 2.172 -10.220 -6.752 588 H GLU 75 H GLU 75 4.860 -6.125 -10.281 589 HA GLU 75 HA GLU 75 6.447 -6.157 -12.786 590 1HB GLU 75 2HB GLU 75 4.616 -4.790 -13.810 591 2HB GLU 75 3HB GLU 75 4.230 -6.504 -13.603 592 1HG GLU 75 2HG GLU 75 2.837 -6.005 -11.644 593 2HG GLU 75 3HG GLU 75 3.293 -4.297 -11.733
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