NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7516 | 1kn7 | 5236 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -35.417 -18.483 30.362 2 HA MET 1 HA MET 1 -36.062 -17.581 33.047 3 1HB MET 1 1HB MET 1 -34.343 -16.088 31.684 4 2HB MET 1 2HB MET 1 -35.735 -15.626 30.726 5 1HG MET 1 1HG MET 1 -36.545 -14.258 32.367 6 2HG MET 1 2HG MET 1 -36.316 -15.473 33.609 7 1HE MET 1 1HE MET 1 -34.172 -13.265 35.583 8 2HE MET 1 2HE MET 1 -35.781 -13.964 35.283 9 3HE MET 1 3HE MET 1 -34.383 -15.032 35.552 10 H GLU 2 H GLU 2 -38.018 -18.877 32.740 11 HA GLU 2 HA GLU 2 -39.674 -18.652 30.573 12 1HB GLU 2 1HB GLU 2 -41.294 -19.784 31.890 13 2HB GLU 2 2HB GLU 2 -39.757 -20.305 32.548 14 1HG GLU 2 1HG GLU 2 -40.217 -18.051 34.068 15 2HG GLU 2 2HG GLU 2 -41.861 -18.584 33.779 16 HE2 GLU 2 HE2 GLU 2 -39.318 -19.789 36.182 17 H VAL 3 H VAL 3 -41.440 -17.311 30.015 18 HA VAL 3 HA VAL 3 -42.301 -15.270 31.833 19 HB VAL 3 HB VAL 3 -40.682 -14.585 29.375 20 1HG1 VAL 3 1HG1 VAL 3 -41.221 -12.203 29.956 21 2HG1 VAL 3 2HG1 VAL 3 -42.607 -13.144 29.353 22 3HG1 VAL 3 3HG1 VAL 3 -42.447 -12.813 31.094 23 1HG2 VAL 3 1HG2 VAL 3 -39.450 -13.160 31.110 24 2HG2 VAL 3 2HG2 VAL 3 -40.309 -14.118 32.341 25 3HG2 VAL 3 3HG2 VAL 3 -39.212 -14.922 31.193 26 H ALA 4 H ALA 4 -44.057 -13.893 30.725 27 HA ALA 4 HA ALA 4 -45.667 -15.726 29.165 28 1HB ALA 4 1HB ALA 4 -46.068 -13.452 30.984 29 2HB ALA 4 2HB ALA 4 -47.104 -13.375 29.539 30 3HB ALA 4 3HB ALA 4 -47.155 -14.807 30.595 31 H MET 5 H MET 5 -46.413 -15.338 27.051 32 HA MET 5 HA MET 5 -44.664 -13.729 25.512 33 1HB MET 5 1HB MET 5 -47.036 -15.557 25.017 34 2HB MET 5 2HB MET 5 -46.542 -14.489 23.719 35 1HG MET 5 1HG MET 5 -44.290 -15.943 25.021 36 2HG MET 5 2HG MET 5 -45.443 -16.984 24.209 37 1HE MET 5 1HE MET 5 -42.688 -17.180 22.353 38 2HE MET 5 2HE MET 5 -44.289 -17.892 22.664 39 3HE MET 5 3HE MET 5 -43.915 -17.209 21.063 40 H VAL 6 H VAL 6 -44.912 -11.616 24.913 41 HA VAL 6 HA VAL 6 -47.449 -10.351 25.581 42 HB VAL 6 HB VAL 6 -44.976 -8.956 24.608 43 1HG1 VAL 6 1HG1 VAL 6 -46.164 -7.140 25.115 44 2HG1 VAL 6 2HG1 VAL 6 -47.526 -8.166 25.623 45 3HG1 VAL 6 3HG1 VAL 6 -46.287 -7.682 26.805 46 1HG2 VAL 6 1HG2 VAL 6 -44.595 -8.793 27.256 47 2HG2 VAL 6 2HG2 VAL 6 -45.340 -10.408 27.187 48 3HG2 VAL 6 3HG2 VAL 6 -43.861 -10.071 26.257 49 H SER 7 H SER 7 -48.437 -8.815 24.019 50 HA SER 7 HA SER 7 -47.641 -9.152 21.294 51 1HB SER 7 1HB SER 7 -50.455 -9.986 22.117 52 2HB SER 7 2HB SER 7 -49.779 -10.034 20.500 53 HG SER 7 HG SER 7 -49.822 -12.112 21.794 54 H ALA 8 H ALA 8 -47.636 -7.038 20.625 55 HA ALA 8 HA ALA 8 -49.204 -5.078 21.956 56 1HB ALA 8 1HB ALA 8 -47.141 -4.309 21.163 57 2HB ALA 8 2HB ALA 8 -47.307 -5.159 19.608 58 3HB ALA 8 3HB ALA 8 -48.270 -3.698 19.930 59 H GLU 9 H GLU 9 -51.405 -5.165 21.749 60 HA GLU 9 HA GLU 9 -52.457 -4.665 19.171 61 1HB GLU 9 1HB GLU 9 -52.150 -7.301 19.509 62 2HB GLU 9 2HB GLU 9 -53.635 -7.140 20.427 63 1HG GLU 9 1HG GLU 9 -54.700 -5.991 18.451 64 2HG GLU 9 2HG GLU 9 -53.224 -6.234 17.537 65 HE2 GLU 9 HE2 GLU 9 -53.501 -8.032 16.247 66 H SER 10 H SER 10 -54.840 -4.177 19.286 67 HA SER 10 HA SER 10 -55.968 -4.071 21.899 68 1HB SER 10 1HB SER 10 -56.373 -1.548 21.733 69 2HB SER 10 2HB SER 10 -54.739 -2.039 22.133 70 HG SER 10 HG SER 10 -55.001 -0.343 20.410 71 H SER 11 H SER 11 -58.029 -4.774 21.493 72 HA SER 11 HA SER 11 -60.001 -4.962 20.602 73 1HB SER 11 1HB SER 11 -59.258 -2.259 19.907 74 2HB SER 11 2HB SER 11 -60.141 -2.946 18.558 75 HG SER 11 HG SER 11 -61.644 -2.017 19.999 76 H GLY 12 H GLY 12 -61.175 -5.256 18.289 77 1HA GLY 12 1HA GLY 12 -60.135 -7.309 16.934 78 2HA GLY 12 2HA GLY 12 -61.144 -6.092 16.177 79 H CYS 13 H CYS 13 -59.808 -3.896 15.701 80 HA CYS 13 HA CYS 13 -57.084 -4.101 15.200 81 1HB CYS 13 1HB CYS 13 -57.792 -5.795 13.512 82 2HB CYS 13 2HB CYS 13 -58.752 -4.570 12.706 83 HG CYS 13 HG CYS 13 -56.006 -3.253 13.350 84 H ASN 14 H ASN 14 -57.870 -2.060 16.392 85 HA ASN 14 HA ASN 14 -58.882 -0.123 14.469 86 1HB ASN 14 1HB ASN 14 -59.467 -0.661 17.276 87 2HB ASN 14 2HB ASN 14 -58.851 0.972 17.128 88 1HD2 ASN 14 1HD2 ASN 14 -60.840 1.853 17.637 89 2HD2 ASN 14 2HD2 ASN 14 -62.172 1.898 16.530 90 H SER 15 H SER 15 -56.034 -1.171 14.877 91 HA SER 15 HA SER 15 -54.674 1.157 14.553 92 1HB SER 15 1HB SER 15 -55.067 0.458 17.408 93 2HB SER 15 2HB SER 15 -53.390 0.728 16.977 94 HG SER 15 HG SER 15 -54.175 2.788 15.942 95 H HIS 16 H HIS 16 -53.451 0.032 13.033 96 HA HIS 16 HA HIS 16 -51.825 -2.147 14.123 97 1HB HIS 16 1HB HIS 16 -53.809 -2.374 12.156 98 2HB HIS 16 2HB HIS 16 -52.303 -2.366 11.261 99 HD1 HIS 16 HD1 HIS 16 -52.704 -3.921 14.716 100 HD2 HIS 16 HD2 HIS 16 -52.192 -5.084 10.718 101 HE1 HIS 16 HE1 HIS 16 -52.280 -6.437 14.752 102 H MET 17 H MET 17 -51.160 0.654 14.129 103 HA MET 17 HA MET 17 -49.918 1.752 12.094 104 1HB MET 17 1HB MET 17 -49.773 1.899 14.926 105 2HB MET 17 2HB MET 17 -48.104 1.700 14.431 106 1HG MET 17 1HG MET 17 -48.108 3.949 14.046 107 2HG MET 17 2HG MET 17 -49.019 3.583 12.595 108 1HE MET 17 1HE MET 17 -48.894 4.823 16.100 109 2HE MET 17 2HE MET 17 -50.560 5.255 16.553 110 3HE MET 17 3HE MET 17 -50.053 3.549 16.549 111 HA PRO 18 HA PRO 18 -47.064 -1.487 11.020 112 1HB PRO 18 1HB PRO 18 -46.882 -0.870 8.363 113 2HB PRO 18 2HB PRO 18 -48.076 -1.977 9.011 114 1HG PRO 18 1HG PRO 18 -48.439 0.806 8.082 115 2HG PRO 18 2HG PRO 18 -49.650 -0.437 8.325 116 1HD PRO 18 1HD PRO 18 -49.104 1.787 10.053 117 2HD PRO 18 2HD PRO 18 -50.234 0.481 10.350 118 H TYR 19 H TYR 19 -45.488 -0.569 12.420 119 HA TYR 19 HA TYR 19 -43.963 1.605 11.287 120 1HB TYR 19 1HB TYR 19 -44.632 0.555 13.824 121 2HB TYR 19 2HB TYR 19 -42.978 0.011 13.629 122 HD1 TYR 19 HD1 TYR 19 -44.879 3.188 12.951 123 HD2 TYR 19 HD2 TYR 19 -41.404 1.360 14.650 124 HE1 TYR 19 HE1 TYR 19 -44.034 5.468 13.694 125 HE2 TYR 19 HE2 TYR 19 -40.571 3.646 15.387 126 HH TYR 19 HH TYR 19 -41.788 6.482 14.181 127 H GLY 20 H GLY 20 -42.873 0.875 9.441 128 1HA GLY 20 1HA GLY 20 -41.358 -1.606 9.585 129 2HA GLY 20 2HA GLY 20 -41.574 -0.559 8.196 130 H TYR 21 H TYR 21 -39.950 0.862 7.640 131 HA TYR 21 HA TYR 21 -37.462 0.667 8.842 132 1HB TYR 21 1HB TYR 21 -36.962 2.475 7.255 133 2HB TYR 21 2HB TYR 21 -38.214 1.506 6.502 134 HD1 TYR 21 HD1 TYR 21 -37.671 4.615 8.494 135 HD2 TYR 21 HD2 TYR 21 -40.264 2.477 5.846 136 HE1 TYR 21 HE1 TYR 21 -39.130 6.681 8.243 137 HE2 TYR 21 HE2 TYR 21 -41.715 4.551 5.604 138 HH TYR 21 HH TYR 21 -42.104 6.564 6.312 139 H ALA 22 H ALA 22 -40.281 2.392 9.883 140 HA ALA 22 HA ALA 22 -39.184 4.662 11.017 141 1HB ALA 22 1HB ALA 22 -41.605 4.168 10.757 142 2HB ALA 22 2HB ALA 22 -41.476 2.930 12.030 143 3HB ALA 22 3HB ALA 22 -41.196 4.644 12.423 144 H ALA 23 H ALA 23 -39.154 1.251 12.063 145 HA ALA 23 HA ALA 23 -38.017 1.993 14.629 146 1HB ALA 23 1HB ALA 23 -39.427 -0.279 13.461 147 2HB ALA 23 2HB ALA 23 -37.949 -0.797 14.307 148 3HB ALA 23 3HB ALA 23 -39.185 0.147 15.172 149 H GLN 24 H GLN 24 -36.762 2.314 11.752 150 HA GLN 24 HA GLN 24 -34.470 0.604 12.078 151 1HB GLN 24 1HB GLN 24 -35.723 1.271 9.842 152 2HB GLN 24 2HB GLN 24 -34.736 2.716 9.929 153 1HG GLN 24 1HG GLN 24 -33.021 1.551 9.016 154 2HG GLN 24 2HG GLN 24 -32.948 0.578 10.472 155 1HE2 GLN 24 1HE2 GLN 24 -34.029 -1.396 10.588 156 2HE2 GLN 24 2HE2 GLN 24 -34.534 -2.271 9.181 157 H ALA 25 H ALA 25 -35.492 3.457 13.433 158 HA ALA 25 HA ALA 25 -33.331 5.187 13.093 159 1HB ALA 25 1HB ALA 25 -35.167 6.218 14.034 160 2HB ALA 25 2HB ALA 25 -35.572 4.814 15.050 161 3HB ALA 25 3HB ALA 25 -34.233 5.890 15.513 162 H ARG 26 H ARG 26 -33.649 2.151 14.783 163 HA ARG 26 HA ARG 26 -31.694 2.670 16.726 164 1HB ARG 26 1HB ARG 26 -33.548 0.751 16.502 165 2HB ARG 26 2HB ARG 26 -32.264 -0.120 15.687 166 1HG ARG 26 1HG ARG 26 -31.171 -0.537 17.640 167 2HG ARG 26 2HG ARG 26 -31.271 1.139 18.143 168 1HD ARG 26 1HD ARG 26 -33.609 0.786 18.930 169 2HD ARG 26 2HD ARG 26 -33.559 -0.877 18.378 170 HE ARG 26 HE ARG 26 -31.334 -0.517 20.103 171 1HH1 ARG 26 2HH2 ARG 26 -34.870 -0.480 20.323 172 2HH1 ARG 26 1HH2 ARG 26 -34.896 -0.982 21.980 173 1HH2 ARG 26 1HH ARG 26 -32.826 -1.388 23.117 174 H ALA 27 H ALA 27 -31.695 1.564 13.346 175 HA ALA 27 HA ALA 27 -29.083 0.468 13.371 176 1HB ALA 27 1HB ALA 27 -30.332 -0.326 11.603 177 2HB ALA 27 2HB ALA 27 -31.161 1.228 11.347 178 3HB ALA 27 3HB ALA 27 -29.488 1.008 10.781 179 H ARG 28 H ARG 28 -30.478 3.719 13.019 180 HA ARG 28 HA ARG 28 -28.320 4.906 11.784 181 1HB ARG 28 1HB ARG 28 -30.792 5.750 12.543 182 2HB ARG 28 2HB ARG 28 -29.865 6.468 13.845 183 1HG ARG 28 1HG ARG 28 -28.500 7.742 12.307 184 2HG ARG 28 2HG ARG 28 -29.070 6.825 10.926 185 1HD ARG 28 1HD ARG 28 -31.400 7.725 11.338 186 2HD ARG 28 2HD ARG 28 -30.764 8.702 12.646 187 HE ARG 28 HE ARG 28 -29.323 9.082 10.123 188 1HH1 ARG 28 2HH2 ARG 28 -32.102 10.139 12.050 189 2HH1 ARG 28 1HH2 ARG 28 -32.219 11.678 11.265 190 1HH2 ARG 28 1HH ARG 28 -30.666 12.230 9.526 191 H GLU 29 H GLU 29 -28.935 3.950 15.152 192 HA GLU 29 HA GLU 29 -26.801 5.543 16.167 193 1HB GLU 29 1HB GLU 29 -28.876 3.708 17.267 194 2HB GLU 29 2HB GLU 29 -27.378 3.760 18.175 195 1HG GLU 29 1HG GLU 29 -27.539 6.283 18.223 196 2HG GLU 29 2HG GLU 29 -29.085 6.174 17.406 197 HE2 GLU 29 HE2 GLU 29 -30.725 6.017 18.658 198 H ARG 30 H ARG 30 -27.242 2.341 14.790 199 HA ARG 30 HA ARG 30 -24.784 1.404 15.937 200 1HB ARG 30 1HB ARG 30 -27.080 0.220 14.437 201 2HB ARG 30 2HB ARG 30 -25.527 -0.508 14.075 202 1HG ARG 30 1HG ARG 30 -25.861 -0.073 16.965 203 2HG ARG 30 2HG ARG 30 -27.158 -1.053 16.312 204 1HD ARG 30 1HD ARG 30 -25.784 -2.852 16.080 205 2HD ARG 30 2HD ARG 30 -24.613 -1.915 15.174 206 HE ARG 30 HE ARG 30 -24.501 -1.269 18.002 207 1HH1 ARG 30 2HH2 ARG 30 -23.473 -3.686 15.624 208 2HH1 ARG 30 1HH2 ARG 30 -22.116 -4.212 16.561 209 1HH2 ARG 30 1HH ARG 30 -21.686 -3.186 18.684 210 H GLU 31 H GLU 31 -26.078 2.807 12.952 211 HA GLU 31 HA GLU 31 -24.172 1.926 11.174 212 1HB GLU 31 1HB GLU 31 -25.998 4.322 11.326 213 2HB GLU 31 2HB GLU 31 -24.770 4.290 10.076 214 1HG GLU 31 1HG GLU 31 -25.824 1.718 9.912 215 2HG GLU 31 2HG GLU 31 -27.238 2.662 10.338 216 HE2 GLU 31 HE2 GLU 31 -25.240 1.938 7.630 217 H ARG 32 H ARG 32 -23.967 4.223 13.814 218 HA ARG 32 HA ARG 32 -21.958 5.840 12.870 219 1HB ARG 32 1HB ARG 32 -23.398 5.573 15.243 220 2HB ARG 32 2HB ARG 32 -21.778 5.149 15.759 221 1HG ARG 32 1HG ARG 32 -21.919 7.521 16.039 222 2HG ARG 32 2HG ARG 32 -20.963 7.290 14.589 223 1HD ARG 32 1HD ARG 32 -22.733 7.946 13.151 224 2HD ARG 32 2HD ARG 32 -23.970 7.592 14.342 225 HE ARG 32 HE ARG 32 -22.487 10.079 14.079 226 1HH1 ARG 32 2HH2 ARG 32 -24.130 8.003 16.434 227 2HH1 ARG 32 1HH2 ARG 32 -24.454 9.300 17.536 228 1HH2 ARG 32 1HH ARG 32 -23.731 11.517 16.986 229 H LEU 33 H LEU 33 -21.938 2.522 14.131 230 HA LEU 33 HA LEU 33 -19.050 2.535 14.409 231 1HB LEU 33 1HB LEU 33 -21.157 1.200 15.666 232 2HB LEU 33 2HB LEU 33 -20.365 -0.031 14.703 233 HG LEU 33 HG LEU 33 -19.473 0.015 16.962 234 1HD1 LEU 33 1HD1 LEU 33 -18.021 -0.247 14.738 235 2HD1 LEU 33 2HD1 LEU 33 -17.192 1.166 15.433 236 3HD1 LEU 33 3HD1 LEU 33 -17.311 -0.345 16.367 237 1HD2 LEU 33 1HD2 LEU 33 -18.074 2.016 17.666 238 2HD2 LEU 33 2HD2 LEU 33 -18.890 2.919 16.367 239 3HD2 LEU 33 3HD2 LEU 33 -19.841 2.224 17.701 240 H ALA 34 H ALA 34 -21.434 2.074 11.986 241 HA ALA 34 HA ALA 34 -19.961 0.073 10.531 242 1HB ALA 34 1HB ALA 34 -21.758 0.279 8.924 243 2HB ALA 34 2HB ALA 34 -22.474 0.284 10.553 244 3HB ALA 34 3HB ALA 34 -22.300 1.810 9.653 245 H HIS 35 H HIS 35 -19.218 3.162 11.287 246 HA HIS 35 HA HIS 35 -18.531 4.011 8.606 247 1HB HIS 35 1HB HIS 35 -19.032 5.288 11.158 248 2HB HIS 35 2HB HIS 35 -17.492 5.814 10.507 249 HD1 HIS 35 HD1 HIS 35 -18.386 8.192 9.969 250 HD2 HIS 35 HD2 HIS 35 -20.445 5.106 8.010 251 HE1 HIS 35 HE1 HIS 35 -19.831 9.313 8.190 252 H SER 36 H SER 36 -17.235 2.094 11.119 253 HA SER 36 HA SER 36 -14.519 2.858 10.556 254 1HB SER 36 1HB SER 36 -15.172 2.334 12.881 255 2HB SER 36 2HB SER 36 -15.694 0.732 12.402 256 HG SER 36 HG SER 36 -13.468 0.947 13.367 257 H ARG 37 H ARG 37 -16.950 0.609 9.478 258 HA ARG 37 HA ARG 37 -14.999 -1.274 8.537 259 1HB ARG 37 1HB ARG 37 -17.618 -1.543 9.366 260 2HB ARG 37 2HB ARG 37 -17.843 -1.496 7.629 261 1HG ARG 37 1HG ARG 37 -17.467 -3.772 7.892 262 2HG ARG 37 2HG ARG 37 -15.816 -3.245 7.636 263 1HD ARG 37 1HD ARG 37 -15.444 -4.412 9.591 264 2HD ARG 37 2HD ARG 37 -15.937 -2.901 10.331 265 HE ARG 37 HE ARG 37 -17.794 -4.025 11.166 266 1HH1 ARG 37 2HH2 ARG 37 -16.814 -5.626 8.160 267 2HH1 ARG 37 1HH2 ARG 37 -18.045 -6.840 8.260 268 1HH2 ARG 37 1HH ARG 37 -19.565 -6.822 10.113 269 H ALA 38 H ALA 38 -15.562 1.706 7.564 270 HA ALA 38 HA ALA 38 -16.565 1.628 4.985 271 1HB ALA 38 1HB ALA 38 -14.790 3.659 4.854 272 2HB ALA 38 2HB ALA 38 -16.329 3.779 5.741 273 3HB ALA 38 3HB ALA 38 -14.822 3.421 6.618 274 H ALA 39 H ALA 39 -13.070 1.655 6.009 275 HA ALA 39 HA ALA 39 -12.335 0.707 3.379 276 1HB ALA 39 1HB ALA 39 -11.078 2.059 5.656 277 2HB ALA 39 2HB ALA 39 -10.068 0.744 5.007 278 3HB ALA 39 3HB ALA 39 -10.616 2.057 3.937 279 H ALA 40 H ALA 40 -13.736 -1.310 3.796 280 HA ALA 40 HA ALA 40 -12.505 -3.208 5.606 281 1HB ALA 40 1HB ALA 40 -14.938 -3.320 3.781 282 2HB ALA 40 2HB ALA 40 -14.425 -4.640 4.859 283 3HB ALA 40 3HB ALA 40 -14.932 -3.077 5.544 284 H ALA 41 H ALA 41 -13.545 -3.302 2.119 285 HA ALA 41 HA ALA 41 -12.748 -4.520 0.430 286 1HB ALA 41 1HB ALA 41 -9.937 -4.076 0.788 287 2HB ALA 41 2HB ALA 41 -11.064 -3.227 -0.296 288 3HB ALA 41 3HB ALA 41 -10.805 -2.632 1.361 289 H ALA 42 H ALA 42 -13.445 -6.329 2.225 290 HA ALA 42 HA ALA 42 -11.095 -8.077 2.496 291 1HB ALA 42 1HB ALA 42 -11.930 -8.846 4.533 292 2HB ALA 42 2HB ALA 42 -12.395 -7.129 4.582 293 3HB ALA 42 3HB ALA 42 -13.600 -8.365 4.149 294 H ALA 43 H ALA 43 -14.727 -8.289 2.367 295 HA ALA 43 HA ALA 43 -14.898 -10.826 1.394 296 1HB ALA 43 1HB ALA 43 -16.906 -9.831 2.051 297 2HB ALA 43 2HB ALA 43 -16.591 -8.342 1.127 298 3HB ALA 43 3HB ALA 43 -17.064 -9.834 0.278 299 H VAL 44 H VAL 44 -13.732 -7.928 -0.210 300 HA VAL 44 HA VAL 44 -13.954 -9.212 -2.819 301 HB VAL 44 HB VAL 44 -13.805 -6.486 -1.779 302 1HG1 VAL 44 1HG1 VAL 44 -12.054 -7.274 -4.125 303 2HG1 VAL 44 2HG1 VAL 44 -12.620 -5.611 -3.836 304 3HG1 VAL 44 3HG1 VAL 44 -11.579 -6.418 -2.639 305 1HG2 VAL 44 1HG2 VAL 44 -15.714 -6.720 -2.970 306 2HG2 VAL 44 2HG2 VAL 44 -14.672 -6.298 -4.350 307 3HG2 VAL 44 3HG2 VAL 44 -15.041 -8.004 -4.002 308 H ALA 45 H ALA 45 -11.655 -8.334 -0.256 309 HA ALA 45 HA ALA 45 -9.271 -8.315 -1.492 310 1HB ALA 45 1HB ALA 45 -9.868 -9.926 1.018 311 2HB ALA 45 2HB ALA 45 -8.346 -9.111 0.587 312 3HB ALA 45 3HB ALA 45 -9.790 -8.148 0.981 313 H ALA 46 H ALA 46 -10.920 -11.351 -0.342 314 HA ALA 46 HA ALA 46 -9.104 -13.085 -1.529 315 1HB ALA 46 1HB ALA 46 -10.739 -14.776 -1.049 316 2HB ALA 46 2HB ALA 46 -10.871 -13.558 0.242 317 3HB ALA 46 3HB ALA 46 -12.067 -13.592 -1.076 318 H ALA 47 H ALA 47 -12.389 -12.045 -2.704 319 HA ALA 47 HA ALA 47 -12.139 -13.299 -5.187 320 1HB ALA 47 1HB ALA 47 -14.092 -11.946 -3.756 321 2HB ALA 47 2HB ALA 47 -13.779 -10.855 -5.128 322 3HB ALA 47 3HB ALA 47 -14.257 -12.543 -5.425 323 H THR 48 H THR 48 -12.530 -11.583 -7.237 324 HA THR 48 HA THR 48 -11.471 -10.275 -8.688 325 HB THR 48 HB THR 48 -10.791 -8.861 -6.066 326 HG1 THR 48 HG1 THR 48 -12.514 -8.341 -8.386 327 1HG2 THR 48 1HG2 THR 48 -10.106 -8.168 -8.938 328 2HG2 THR 48 2HG2 THR 48 -10.598 -6.867 -7.827 329 3HG2 THR 48 3HG2 THR 48 -9.165 -7.857 -7.459 330 H ALA 49 H ALA 49 -10.106 -11.748 -9.644 331 HA ALA 49 HA ALA 49 -7.855 -12.849 -8.561 332 1HB ALA 49 1HB ALA 49 -8.981 -12.362 -11.244 333 2HB ALA 49 2HB ALA 49 -7.208 -12.521 -11.229 334 3HB ALA 49 3HB ALA 49 -8.224 -13.825 -10.570 335 H ALA 50 H ALA 50 -5.508 -12.350 -9.502 336 HA ALA 50 HA ALA 50 -4.932 -9.668 -8.598 337 1HB ALA 50 1HB ALA 50 -3.542 -12.249 -8.885 338 2HB ALA 50 2HB ALA 50 -2.546 -10.852 -9.357 339 3HB ALA 50 3HB ALA 50 -3.263 -10.924 -7.730 340 H VAL 51 H VAL 51 -6.449 -9.380 -10.838 341 HA VAL 51 HA VAL 51 -6.509 -8.685 -12.950 342 HB VAL 51 HB VAL 51 -5.574 -6.769 -11.768 343 1HG1 VAL 51 1HG1 VAL 51 -2.910 -8.040 -12.452 344 2HG1 VAL 51 2HG1 VAL 51 -3.085 -6.326 -12.006 345 3HG1 VAL 51 3HG1 VAL 51 -3.543 -7.597 -10.848 346 1HG2 VAL 51 1HG2 VAL 51 -4.032 -6.140 -14.021 347 2HG2 VAL 51 2HG2 VAL 51 -5.224 -7.329 -14.599 348 3HG2 VAL 51 3HG2 VAL 51 -5.771 -5.840 -13.791 349 H GLU 52 H GLU 52 -5.803 -11.276 -13.025 350 HA GLU 52 HA GLU 52 -3.614 -11.274 -14.955 351 1HB GLU 52 1HB GLU 52 -3.040 -12.427 -12.790 352 2HB GLU 52 2HB GLU 52 -4.365 -13.542 -13.058 353 1HG GLU 52 1HG GLU 52 -3.166 -14.771 -14.555 354 2HG GLU 52 2HG GLU 52 -2.648 -13.346 -15.434 355 HE2 GLU 52 HE2 GLU 52 -1.592 -14.787 -12.177 356 H GLY 53 H GLY 53 -3.896 -12.581 -16.849 357 1HA GLY 53 1HA GLY 53 -6.044 -14.348 -17.244 358 2HA GLY 53 2HA GLY 53 -6.520 -12.762 -17.817 359 H THR 54 H THR 54 -4.158 -15.425 -18.192 360 HA THR 54 HA THR 54 -3.908 -14.812 -20.985 361 HB THR 54 HB THR 54 -2.218 -13.261 -20.341 362 HG1 THR 54 HG1 THR 54 -1.546 -15.185 -21.724 363 1HG2 THR 54 1HG2 THR 54 -1.462 -15.339 -18.228 364 2HG2 THR 54 2HG2 THR 54 -0.395 -13.988 -18.677 365 3HG2 THR 54 3HG2 THR 54 -1.986 -13.661 -17.951 366 H GLY 55 H GLY 55 -4.148 -16.725 -21.938 367 1HA GLY 55 1HA GLY 55 -2.794 -19.036 -20.691 368 2HA GLY 55 2HA GLY 55 -4.464 -19.125 -21.214 369 H GLY 56 H GLY 56 -2.999 -20.970 -22.411 370 1HA GLY 56 1HA GLY 56 -3.284 -20.862 -25.032 371 2HA GLY 56 2HA GLY 56 -1.818 -19.916 -24.865 372 H SER 57 H SER 57 -3.310 -23.101 -24.038 373 HA SER 57 HA SER 57 -0.916 -24.257 -23.200 374 1HB SER 57 1HB SER 57 -2.132 -26.365 -23.284 375 2HB SER 57 2HB SER 57 -3.204 -25.124 -22.668 376 HG SER 57 HG SER 57 -4.533 -25.547 -24.280 377 H GLY 58 H GLY 58 0.504 -25.753 -24.320 378 1HA GLY 58 1HA GLY 58 0.449 -26.864 -26.715 379 2HA GLY 58 2HA GLY 58 0.690 -25.192 -27.180 380 H GLY 59 H GLY 59 2.604 -27.257 -27.704 381 1HA GLY 59 1HA GLY 59 4.802 -26.433 -25.901 382 2HA GLY 59 2HA GLY 59 4.631 -28.059 -26.530 383 H GLY 60 H GLY 60 4.173 -27.981 -29.140 384 1HA GLY 60 1HA GLY 60 4.759 -26.734 -31.128 385 2HA GLY 60 2HA GLY 60 6.160 -26.110 -30.280 386 HA PRO 61 HA PRO 61 6.922 -30.680 -31.388 387 1HB PRO 61 1HB PRO 61 5.340 -31.804 -33.313 388 2HB PRO 61 2HB PRO 61 5.069 -32.031 -31.597 389 1HG PRO 61 1HG PRO 61 3.575 -30.332 -33.500 390 2HG PRO 61 2HG PRO 61 3.084 -30.901 -31.917 391 1HD PRO 61 1HD PRO 61 3.997 -28.266 -32.586 392 2HD PRO 61 2HD PRO 61 3.616 -28.868 -30.985 393 H HIS 62 H HIS 62 8.776 -30.927 -32.468 394 HA HIS 62 HA HIS 62 8.893 -29.378 -34.937 395 1HB HIS 62 1HB HIS 62 11.244 -29.272 -34.632 396 2HB HIS 62 2HB HIS 62 10.505 -28.890 -33.091 397 HD1 HIS 62 HD1 HIS 62 10.651 -30.757 -31.189 398 HD2 HIS 62 HD2 HIS 62 12.896 -31.523 -34.649 399 HE1 HIS 62 HE1 HIS 62 12.292 -32.614 -30.580 400 H HIS 63 H HIS 63 8.789 -30.420 -36.859 401 HA HIS 63 HA HIS 63 8.279 -33.010 -37.212 402 1HB HIS 63 1HB HIS 63 8.718 -30.875 -38.845 403 2HB HIS 63 2HB HIS 63 10.096 -31.875 -39.258 404 HD1 HIS 63 HD1 HIS 63 9.682 -33.652 -40.976 405 HD2 HIS 63 HD2 HIS 63 6.143 -32.399 -39.105 406 HE1 HIS 63 HE1 HIS 63 7.776 -34.848 -42.178 407 H HIS 64 H HIS 64 9.335 -34.979 -37.255 408 HA HIS 64 HA HIS 64 12.241 -34.898 -37.032 409 1HB HIS 64 1HB HIS 64 11.422 -35.026 -34.748 410 2HB HIS 64 2HB HIS 64 10.374 -36.370 -35.154 411 HD1 HIS 64 HD1 HIS 64 11.671 -38.659 -35.912 412 HD2 HIS 64 HD2 HIS 64 13.963 -35.740 -33.958 413 HE1 HIS 64 HE1 HIS 64 13.783 -39.836 -35.098 414 H HIS 65 H HIS 65 13.298 -36.644 -38.033 415 HA HIS 65 HA HIS 65 13.559 -38.299 -39.447 416 1HB HIS 65 1HB HIS 65 11.287 -39.185 -37.789 417 2HB HIS 65 2HB HIS 65 11.401 -39.993 -39.341 418 HD1 HIS 65 HD1 HIS 65 12.021 -42.205 -38.007 419 HD2 HIS 65 HD2 HIS 65 14.821 -39.095 -37.716 420 HE1 HIS 65 HE1 HIS 65 14.155 -43.249 -37.076 421 H GLN 66 H GLN 66 13.548 -37.305 -41.441 422 HA GLN 66 HA GLN 66 11.073 -36.463 -42.565 423 1HB GLN 66 1HB GLN 66 12.449 -35.676 -44.441 424 2HB GLN 66 2HB GLN 66 13.175 -35.193 -42.920 425 1HG GLN 66 1HG GLN 66 14.106 -37.850 -43.818 426 2HG GLN 66 2HG GLN 66 14.455 -36.591 -44.986 427 1HE2 GLN 66 1HE2 GLN 66 16.666 -37.239 -44.349 428 2HE2 GLN 66 2HE2 GLN 66 17.427 -36.426 -43.023 429 H THR 67 H THR 67 10.613 -37.118 -44.984 430 HA THR 67 HA THR 67 10.007 -39.838 -45.022 431 HB THR 67 HB THR 67 10.211 -37.726 -47.231 432 HG1 THR 67 HG1 THR 67 8.721 -37.414 -45.369 433 1HG2 THR 67 1HG2 THR 67 8.844 -40.464 -47.139 434 2HG2 THR 67 2HG2 THR 67 8.431 -39.197 -48.319 435 3HG2 THR 67 3HG2 THR 67 10.058 -39.918 -48.321 436 H ARG 68 H ARG 68 10.679 -41.322 -46.940 437 HA ARG 68 HA ARG 68 13.324 -41.957 -46.476 438 1HB ARG 68 1HB ARG 68 11.147 -42.882 -48.314 439 2HB ARG 68 2HB ARG 68 12.774 -43.278 -48.832 440 1HG ARG 68 1HG ARG 68 13.177 -44.203 -46.460 441 2HG ARG 68 2HG ARG 68 11.457 -44.019 -46.182 442 1HD ARG 68 1HD ARG 68 12.098 -45.416 -48.725 443 2HD ARG 68 2HD ARG 68 12.668 -46.263 -47.300 444 HE ARG 68 HE ARG 68 10.431 -46.601 -46.601 445 1HH1 ARG 68 2HH2 ARG 68 10.523 -44.420 -49.391 446 2HH1 ARG 68 1HH2 ARG 68 8.815 -44.504 -49.670 447 1HH2 ARG 68 1HH ARG 68 7.457 -45.858 -48.233 448 H GLY 69 H GLY 69 15.242 -41.683 -47.744 449 1HA GLY 69 1HA GLY 69 15.499 -39.303 -49.179 450 2HA GLY 69 2HA GLY 69 16.644 -40.630 -49.147 451 H ALA 70 H ALA 70 15.708 -42.711 -50.451 452 HA ALA 70 HA ALA 70 15.220 -43.573 -52.428 453 1HB ALA 70 1HB ALA 70 13.465 -41.161 -52.984 454 2HB ALA 70 2HB ALA 70 13.267 -42.832 -53.565 455 3HB ALA 70 3HB ALA 70 12.981 -42.446 -51.851 456 H TYR 71 H TYR 71 15.423 -43.167 -54.895 457 HA TYR 71 HA TYR 71 16.935 -42.643 -56.461 458 1HB TYR 71 1HB TYR 71 15.305 -40.870 -56.822 459 2HB TYR 71 2HB TYR 71 15.761 -40.047 -55.343 460 HD1 TYR 71 HD1 TYR 71 17.706 -41.215 -58.342 461 HD2 TYR 71 HD2 TYR 71 16.618 -37.946 -55.806 462 HE1 TYR 71 HE1 TYR 71 19.231 -39.671 -59.666 463 HE2 TYR 71 HE2 TYR 71 18.146 -36.413 -57.139 464 HH TYR 71 HH TYR 71 19.538 -37.412 -60.129 465 H SER 72 H SER 72 18.942 -43.383 -55.656 466 HA SER 72 HA SER 72 20.474 -41.351 -54.241 467 1HB SER 72 1HB SER 72 20.278 -44.285 -54.036 468 2HB SER 72 2HB SER 72 21.939 -43.741 -54.154 469 HG SER 72 HG SER 72 20.979 -42.052 -52.430 470 H SER 73 H SER 73 22.124 -40.344 -55.341 471 HA SER 73 HA SER 73 22.734 -41.389 -57.960 472 1HB SER 73 1HB SER 73 23.724 -39.211 -58.401 473 2HB SER 73 2HB SER 73 22.160 -38.970 -57.648 474 HG SER 73 HG SER 73 23.520 -37.602 -56.537 475 H HIS 74 H HIS 74 24.654 -42.428 -58.443 476 HA HIS 74 HA HIS 74 27.072 -41.851 -57.208 477 1HB HIS 74 1HB HIS 74 25.578 -43.181 -55.408 478 2HB HIS 74 2HB HIS 74 26.246 -44.555 -56.267 479 HD1 HIS 74 HD1 HIS 74 27.150 -41.831 -53.880 480 HD2 HIS 74 HD2 HIS 74 29.101 -44.828 -56.073 481 HE1 HIS 74 HE1 HIS 74 29.496 -42.025 -52.896 482 H ASP 75 H ASP 75 26.950 -41.823 -59.709 483 HA ASP 75 HA ASP 75 27.754 -44.480 -60.584 484 1HB ASP 75 1HB ASP 75 25.531 -44.034 -61.521 485 2HB ASP 75 2HB ASP 75 26.029 -42.443 -62.062 486 HD2 ASP 75 HD2 ASP 75 25.658 -42.785 -64.134 Start of MODEL 2 1 H MET 1 H MET 1 -36.567 39.025 13.513 2 HA MET 1 HA MET 1 -35.351 37.509 15.586 3 1HB MET 1 1HB MET 1 -36.640 39.946 16.298 4 2HB MET 1 2HB MET 1 -37.826 38.708 16.662 5 1HG MET 1 1HG MET 1 -36.398 37.612 18.223 6 2HG MET 1 2HG MET 1 -34.950 38.344 17.563 7 1HE MET 1 1HE MET 1 -34.316 39.626 20.495 8 2HE MET 1 2HE MET 1 -35.880 39.264 21.265 9 3HE MET 1 3HE MET 1 -35.126 38.073 20.178 10 H GLU 2 H GLU 2 -35.942 35.674 14.360 11 HA GLU 2 HA GLU 2 -38.824 35.344 14.046 12 1HB GLU 2 1HB GLU 2 -36.574 34.871 12.227 13 2HB GLU 2 2HB GLU 2 -37.539 33.422 12.427 14 1HG GLU 2 1HG GLU 2 -39.521 35.327 12.163 15 2HG GLU 2 2HG GLU 2 -38.264 36.020 11.157 16 HE2 GLU 2 HE2 GLU 2 -39.889 35.468 9.560 17 H VAL 3 H VAL 3 -39.553 32.963 14.175 18 HA VAL 3 HA VAL 3 -38.262 31.807 16.509 19 HB VAL 3 HB VAL 3 -40.761 32.292 16.245 20 1HG1 VAL 3 1HG1 VAL 3 -42.128 30.693 15.100 21 2HG1 VAL 3 2HG1 VAL 3 -40.898 31.267 13.947 22 3HG1 VAL 3 3HG1 VAL 3 -40.721 29.672 14.718 23 1HG2 VAL 3 1HG2 VAL 3 -41.049 30.892 17.975 24 2HG2 VAL 3 2HG2 VAL 3 -40.657 29.460 16.994 25 3HG2 VAL 3 3HG2 VAL 3 -39.350 30.425 17.722 26 H ALA 4 H ALA 4 -38.633 29.154 16.358 27 HA ALA 4 HA ALA 4 -36.618 28.335 14.591 28 1HB ALA 4 1HB ALA 4 -36.779 26.351 15.727 29 2HB ALA 4 2HB ALA 4 -37.708 27.358 16.863 30 3HB ALA 4 3HB ALA 4 -38.558 26.340 15.675 31 H MET 5 H MET 5 -36.784 26.810 12.779 32 HA MET 5 HA MET 5 -38.498 27.650 10.852 33 1HB MET 5 1HB MET 5 -36.366 25.932 10.998 34 2HB MET 5 2HB MET 5 -37.650 24.753 10.823 35 1HG MET 5 1HG MET 5 -37.068 25.202 8.578 36 2HG MET 5 2HG MET 5 -38.464 26.234 8.814 37 1HE MET 5 1HE MET 5 -38.332 27.780 7.318 38 2HE MET 5 2HE MET 5 -37.207 29.155 7.207 39 3HE MET 5 3HE MET 5 -36.821 27.622 6.390 40 H VAL 6 H VAL 6 -40.604 27.235 10.251 41 HA VAL 6 HA VAL 6 -42.087 25.430 11.986 42 HB VAL 6 HB VAL 6 -43.247 27.203 9.858 43 1HG1 VAL 6 1HG1 VAL 6 -44.825 27.345 12.111 44 2HG1 VAL 6 2HG1 VAL 6 -45.081 26.244 10.736 45 3HG1 VAL 6 3HG1 VAL 6 -44.210 25.677 12.181 46 1HG2 VAL 6 1HG2 VAL 6 -42.039 28.884 10.840 47 2HG2 VAL 6 2HG2 VAL 6 -43.432 28.849 11.946 48 3HG2 VAL 6 3HG2 VAL 6 -41.914 28.039 12.401 49 H SER 7 H SER 7 -43.740 23.966 10.970 50 HA SER 7 HA SER 7 -42.457 22.387 9.049 51 1HB SER 7 1HB SER 7 -44.510 22.049 10.904 52 2HB SER 7 2HB SER 7 -45.363 21.941 9.377 53 HG SER 7 HG SER 7 -43.406 20.422 8.821 54 H ALA 8 H ALA 8 -42.216 23.114 6.953 55 HA ALA 8 HA ALA 8 -43.923 24.970 5.751 56 1HB ALA 8 1HB ALA 8 -42.339 24.916 4.135 57 2HB ALA 8 2HB ALA 8 -41.455 23.832 5.236 58 3HB ALA 8 3HB ALA 8 -42.469 23.152 3.941 59 H GLU 9 H GLU 9 -46.112 24.429 5.809 60 HA GLU 9 HA GLU 9 -47.967 23.439 5.268 61 1HB GLU 9 1HB GLU 9 -47.537 23.828 2.982 62 2HB GLU 9 2HB GLU 9 -46.219 22.674 2.923 63 1HG GLU 9 1HG GLU 9 -47.844 20.796 3.211 64 2HG GLU 9 2HG GLU 9 -49.165 21.945 3.288 65 HE2 GLU 9 HE2 GLU 9 -48.979 22.745 -0.113 66 H SER 10 H SER 10 -49.175 21.305 5.127 67 HA SER 10 HA SER 10 -47.501 19.095 5.992 68 1HB SER 10 1HB SER 10 -48.312 19.811 8.090 69 2HB SER 10 2HB SER 10 -49.865 20.298 7.441 70 HG SER 10 HG SER 10 -49.113 17.535 7.315 71 H SER 11 H SER 11 -48.045 17.168 4.979 72 HA SER 11 HA SER 11 -50.720 16.821 4.030 73 1HB SER 11 1HB SER 11 -48.402 16.782 2.048 74 2HB SER 11 2HB SER 11 -50.077 16.418 1.681 75 HG SER 11 HG SER 11 -50.505 18.510 1.517 76 H GLY 12 H GLY 12 -51.102 14.543 3.326 77 1HA GLY 12 1HA GLY 12 -50.017 12.377 2.931 78 2HA GLY 12 2HA GLY 12 -48.977 12.725 4.299 79 H CYS 13 H CYS 13 -51.737 11.065 3.340 80 HA CYS 13 HA CYS 13 -52.426 10.554 6.074 81 1HB CYS 13 1HB CYS 13 -53.867 12.584 4.876 82 2HB CYS 13 2HB CYS 13 -54.877 11.185 4.571 83 HG CYS 13 HG CYS 13 -54.087 10.433 7.292 84 H ASN 14 H ASN 14 -51.288 8.623 4.921 85 HA ASN 14 HA ASN 14 -53.031 7.268 3.075 86 1HB ASN 14 1HB ASN 14 -50.178 7.233 3.740 87 2HB ASN 14 2HB ASN 14 -50.816 5.601 3.789 88 1HD2 ASN 14 1HD2 ASN 14 -49.357 5.326 1.966 89 2HD2 ASN 14 2HD2 ASN 14 -49.898 5.694 0.363 90 H SER 15 H SER 15 -53.669 7.726 6.034 91 HA SER 15 HA SER 15 -54.324 6.663 7.822 92 1HB SER 15 1HB SER 15 -55.052 4.486 5.812 93 2HB SER 15 2HB SER 15 -55.711 4.619 7.430 94 HG SER 15 HG SER 15 -57.225 5.758 6.391 95 H HIS 16 H HIS 16 -52.272 6.362 8.875 96 HA HIS 16 HA HIS 16 -51.633 3.663 9.362 97 1HB HIS 16 1HB HIS 16 -50.537 4.210 7.073 98 2HB HIS 16 2HB HIS 16 -49.395 5.158 8.004 99 HD1 HIS 16 HD1 HIS 16 -49.784 1.873 6.657 100 HD2 HIS 16 HD2 HIS 16 -48.234 3.403 10.242 101 HE1 HIS 16 HE1 HIS 16 -48.280 0.051 7.621 102 H MET 17 H MET 17 -52.133 4.474 11.486 103 HA MET 17 HA MET 17 -50.748 6.681 12.527 104 1HB MET 17 1HB MET 17 -52.852 4.872 13.294 105 2HB MET 17 2HB MET 17 -51.655 4.792 14.571 106 1HG MET 17 1HG MET 17 -52.643 7.464 13.490 107 2HG MET 17 2HG MET 17 -53.502 6.621 14.763 108 1HE MET 17 1HE MET 17 -52.434 7.855 17.580 109 2HE MET 17 2HE MET 17 -53.146 6.438 16.772 110 3HE MET 17 3HE MET 17 -51.583 6.293 17.611 111 HA PRO 18 HA PRO 18 -48.071 3.312 14.531 112 1HB PRO 18 1HB PRO 18 -48.280 0.721 13.688 113 2HB PRO 18 2HB PRO 18 -49.118 1.341 15.096 114 1HG PRO 18 1HG PRO 18 -50.205 0.711 12.421 115 2HG PRO 18 2HG PRO 18 -51.064 0.916 13.934 116 1HD PRO 18 1HD PRO 18 -50.901 2.807 11.783 117 2HD PRO 18 2HD PRO 18 -51.661 3.056 13.342 118 H TYR 19 H TYR 19 -46.624 4.672 13.380 119 HA TYR 19 HA TYR 19 -45.748 3.614 10.831 120 1HB TYR 19 1HB TYR 19 -46.063 6.117 11.950 121 2HB TYR 19 2HB TYR 19 -44.392 5.835 12.393 122 HD1 TYR 19 HD1 TYR 19 -46.678 5.841 9.431 123 HD2 TYR 19 HD2 TYR 19 -42.673 6.298 10.865 124 HE1 TYR 19 HE1 TYR 19 -45.931 6.601 7.123 125 HE2 TYR 19 HE2 TYR 19 -41.939 7.055 8.551 126 HH TYR 19 HH TYR 19 -42.751 6.695 6.199 127 H GLY 20 H GLY 20 -45.115 1.529 12.163 128 1HA GLY 20 1HA GLY 20 -42.782 1.672 13.791 129 2HA GLY 20 2HA GLY 20 -43.522 0.238 13.107 130 H TYR 21 H TYR 21 -43.199 2.249 10.480 131 HA TYR 21 HA TYR 21 -41.121 0.753 9.349 132 1HB TYR 21 1HB TYR 21 -43.040 2.103 8.264 133 2HB TYR 21 2HB TYR 21 -42.201 3.572 8.722 134 HD1 TYR 21 HD1 TYR 21 -42.531 1.002 6.237 135 HD2 TYR 21 HD2 TYR 21 -39.853 3.975 7.752 136 HE1 TYR 21 HE1 TYR 21 -41.220 0.942 4.059 137 HE2 TYR 21 HE2 TYR 21 -38.551 3.905 5.569 138 HH TYR 21 HH TYR 21 -39.282 3.234 3.060 139 H ALA 22 H ALA 22 -41.123 3.573 11.444 140 HA ALA 22 HA ALA 22 -38.429 4.307 10.637 141 1HB ALA 22 1HB ALA 22 -40.467 5.458 12.576 142 2HB ALA 22 2HB ALA 22 -38.816 6.100 12.400 143 3HB ALA 22 3HB ALA 22 -39.936 6.135 11.018 144 H ALA 23 H ALA 23 -38.877 1.621 11.719 145 HA ALA 23 HA ALA 23 -37.875 1.797 14.439 146 1HB ALA 23 1HB ALA 23 -38.641 -0.554 12.660 147 2HB ALA 23 2HB ALA 23 -38.164 -0.673 14.371 148 3HB ALA 23 3HB ALA 23 -39.654 0.191 13.921 149 H GLN 24 H GLN 24 -36.632 1.966 11.304 150 HA GLN 24 HA GLN 24 -34.331 0.349 11.801 151 1HB GLN 24 1HB GLN 24 -35.067 2.250 9.536 152 2HB GLN 24 2HB GLN 24 -33.580 1.324 9.570 153 1HG GLN 24 1HG GLN 24 -36.058 -0.263 10.078 154 2HG GLN 24 2HG GLN 24 -35.942 0.427 8.471 155 1HE2 GLN 24 1HE2 GLN 24 -35.951 -2.228 8.688 156 2HE2 GLN 24 2HE2 GLN 24 -34.399 -2.923 8.362 157 H ALA 25 H ALA 25 -35.342 3.274 13.003 158 HA ALA 25 HA ALA 25 -33.148 4.957 12.613 159 1HB ALA 25 1HB ALA 25 -34.564 5.101 15.216 160 2HB ALA 25 2HB ALA 25 -34.332 6.349 13.968 161 3HB ALA 25 3HB ALA 25 -35.618 5.133 13.782 162 H ARG 26 H ARG 26 -33.549 2.020 14.453 163 HA ARG 26 HA ARG 26 -31.628 2.613 16.408 164 1HB ARG 26 1HB ARG 26 -33.510 0.667 16.139 165 2HB ARG 26 2HB ARG 26 -32.123 -0.237 15.566 166 1HG ARG 26 1HG ARG 26 -30.960 0.775 17.756 167 2HG ARG 26 2HG ARG 26 -32.616 0.950 18.301 168 1HD ARG 26 1HD ARG 26 -32.582 -1.241 18.902 169 2HD ARG 26 2HD ARG 26 -32.512 -1.658 17.201 170 HE ARG 26 HE ARG 26 -29.881 -0.944 18.172 171 1HH1 ARG 26 2HH2 ARG 26 -32.249 -3.579 18.222 172 2HH1 ARG 26 1HH2 ARG 26 -31.057 -4.812 18.462 173 1HH2 ARG 26 1HH ARG 26 -28.746 -4.197 18.616 174 H ALA 27 H ALA 27 -31.575 1.330 13.092 175 HA ALA 27 HA ALA 27 -28.980 0.200 13.232 176 1HB ALA 27 1HB ALA 27 -30.576 1.189 10.835 177 2HB ALA 27 2HB ALA 27 -29.210 0.049 10.803 178 3HB ALA 27 3HB ALA 27 -30.743 -0.419 11.578 179 H ARG 28 H ARG 28 -30.318 3.447 12.680 180 HA ARG 28 HA ARG 28 -28.116 4.536 11.431 181 1HB ARG 28 1HB ARG 28 -30.593 5.452 12.099 182 2HB ARG 28 2HB ARG 28 -29.674 6.232 13.371 183 1HG ARG 28 1HG ARG 28 -28.535 7.620 11.902 184 2HG ARG 28 2HG ARG 28 -28.504 6.426 10.620 185 1HD ARG 28 1HD ARG 28 -30.159 7.664 9.649 186 2HD ARG 28 2HD ARG 28 -31.228 6.939 10.834 187 HE ARG 28 HE ARG 28 -30.139 9.681 10.893 188 1HH1 ARG 28 2HH2 ARG 28 -31.803 7.133 12.707 189 2HH1 ARG 28 1HH2 ARG 28 -32.463 8.225 13.878 190 1HH2 ARG 28 1HH ARG 28 -31.983 10.566 13.700 191 H GLU 29 H GLU 29 -28.817 3.769 14.831 192 HA GLU 29 HA GLU 29 -26.680 5.384 15.806 193 1HB GLU 29 1HB GLU 29 -28.946 4.561 16.968 194 2HB GLU 29 2HB GLU 29 -27.956 3.196 17.442 195 1HG GLU 29 1HG GLU 29 -27.122 4.447 19.137 196 2HG GLU 29 2HG GLU 29 -26.338 5.469 17.950 197 HE2 GLU 29 HE2 GLU 29 -27.354 7.334 17.399 198 H ARG 30 H ARG 30 -27.142 2.119 14.591 199 HA ARG 30 HA ARG 30 -24.723 1.209 15.839 200 1HB ARG 30 1HB ARG 30 -27.005 -0.020 14.354 201 2HB ARG 30 2HB ARG 30 -25.457 -0.788 14.065 202 1HG ARG 30 1HG ARG 30 -25.324 -0.527 16.784 203 2HG ARG 30 2HG ARG 30 -27.062 -0.639 16.591 204 1HD ARG 30 1HD ARG 30 -26.760 -2.900 16.534 205 2HD ARG 30 2HD ARG 30 -26.167 -2.667 14.902 206 HE ARG 30 HE ARG 30 -24.065 -2.203 16.850 207 1HH1 ARG 30 2HH2 ARG 30 -25.832 -4.778 15.177 208 2HH1 ARG 30 1HH2 ARG 30 -24.547 -5.929 15.330 209 1HH2 ARG 30 1HH ARG 30 -22.521 -5.286 16.437 210 H GLU 31 H GLU 31 -25.932 2.470 12.757 211 HA GLU 31 HA GLU 31 -23.876 1.481 11.149 212 1HB GLU 31 1HB GLU 31 -26.004 3.581 10.919 213 2HB GLU 31 2HB GLU 31 -24.662 3.700 9.798 214 1HG GLU 31 1HG GLU 31 -25.962 1.001 10.195 215 2HG GLU 31 2HG GLU 31 -26.809 2.199 9.237 216 HE2 GLU 31 HE2 GLU 31 -23.948 -0.031 8.553 217 H ARG 32 H ARG 32 -24.068 4.084 13.488 218 HA ARG 32 HA ARG 32 -22.184 5.789 12.451 219 1HB ARG 32 1HB ARG 32 -23.664 6.268 14.424 220 2HB ARG 32 2HB ARG 32 -22.742 5.131 15.388 221 1HG ARG 32 1HG ARG 32 -20.913 6.548 15.582 222 2HG ARG 32 2HG ARG 32 -21.153 7.260 13.998 223 1HD ARG 32 1HD ARG 32 -23.416 7.891 15.749 224 2HD ARG 32 2HD ARG 32 -21.909 8.368 16.505 225 HE ARG 32 HE ARG 32 -23.073 9.493 14.048 226 1HH1 ARG 32 2HH2 ARG 32 -20.143 9.179 16.016 227 2HH1 ARG 32 1HH2 ARG 32 -19.386 10.580 15.335 228 1HH2 ARG 32 1HH ARG 32 -20.540 11.837 13.652 229 H LEU 33 H LEU 33 -21.893 2.661 14.104 230 HA LEU 33 HA LEU 33 -19.043 3.024 14.509 231 1HB LEU 33 1HB LEU 33 -21.070 1.614 15.817 232 2HB LEU 33 2HB LEU 33 -20.098 0.378 15.046 233 HG LEU 33 HG LEU 33 -18.069 1.584 16.115 234 1HD1 LEU 33 1HD1 LEU 33 -19.031 2.534 18.437 235 2HD1 LEU 33 2HD1 LEU 33 -18.686 3.560 17.024 236 3HD1 LEU 33 3HD1 LEU 33 -20.352 3.023 17.349 237 1HD2 LEU 33 1HD2 LEU 33 -19.657 0.382 18.299 238 2HD2 LEU 33 2HD2 LEU 33 -19.517 -0.597 16.819 239 3HD2 LEU 33 3HD2 LEU 33 -18.050 -0.048 17.666 240 H ALA 34 H ALA 34 -21.219 2.030 12.052 241 HA ALA 34 HA ALA 34 -19.462 0.052 10.915 242 1HB ALA 34 1HB ALA 34 -21.677 1.271 9.332 243 2HB ALA 34 2HB ALA 34 -21.247 -0.440 9.570 244 3HB ALA 34 3HB ALA 34 -22.143 0.436 10.834 245 H HIS 35 H HIS 35 -19.092 3.269 11.331 246 HA HIS 35 HA HIS 35 -18.340 3.880 8.603 247 1HB HIS 35 1HB HIS 35 -18.919 5.401 11.069 248 2HB HIS 35 2HB HIS 35 -17.613 6.053 10.099 249 HD1 HIS 35 HD1 HIS 35 -18.207 7.062 7.778 250 HD2 HIS 35 HD2 HIS 35 -21.495 5.496 9.858 251 HE1 HIS 35 HE1 HIS 35 -20.287 7.886 6.551 252 H SER 36 H SER 36 -17.001 2.416 11.383 253 HA SER 36 HA SER 36 -14.351 3.405 10.860 254 1HB SER 36 1HB SER 36 -13.709 2.318 12.879 255 2HB SER 36 2HB SER 36 -15.309 2.956 13.199 256 HG SER 36 HG SER 36 -14.448 0.353 13.260 257 H ARG 37 H ARG 37 -16.467 0.793 9.947 258 HA ARG 37 HA ARG 37 -14.278 -0.956 9.329 259 1HB ARG 37 1HB ARG 37 -16.900 -1.417 10.061 260 2HB ARG 37 2HB ARG 37 -17.024 -1.594 8.322 261 1HG ARG 37 1HG ARG 37 -16.225 -3.704 8.561 262 2HG ARG 37 2HG ARG 37 -14.671 -3.003 8.969 263 1HD ARG 37 1HD ARG 37 -16.789 -3.264 11.123 264 2HD ARG 37 2HD ARG 37 -15.862 -4.677 10.657 265 HE ARG 37 HE ARG 37 -14.865 -2.330 12.107 266 1HH1 ARG 37 2HH2 ARG 37 -13.943 -5.120 10.127 267 2HH1 ARG 37 1HH2 ARG 37 -12.315 -5.158 10.718 268 1HH2 ARG 37 1HH ARG 37 -11.616 -3.538 12.340 269 H ALA 38 H ALA 38 -15.090 1.812 7.982 270 HA ALA 38 HA ALA 38 -15.519 0.919 5.253 271 1HB ALA 38 1HB ALA 38 -15.029 3.785 5.952 272 2HB ALA 38 2HB ALA 38 -16.236 3.065 4.860 273 3HB ALA 38 3HB ALA 38 -16.494 3.027 6.621 274 H ALA 39 H ALA 39 -13.162 3.053 7.029 275 HA ALA 39 HA ALA 39 -11.248 2.598 4.894 276 1HB ALA 39 1HB ALA 39 -10.147 4.481 5.725 277 2HB ALA 39 2HB ALA 39 -11.842 4.847 6.125 278 3HB ALA 39 3HB ALA 39 -10.745 4.228 7.382 279 H ALA 40 H ALA 40 -9.067 1.805 5.337 280 HA ALA 40 HA ALA 40 -9.148 -0.292 7.338 281 1HB ALA 40 1HB ALA 40 -7.854 0.210 4.768 282 2HB ALA 40 2HB ALA 40 -6.687 -0.344 5.991 283 3HB ALA 40 3HB ALA 40 -8.123 -1.328 5.621 284 H ALA 41 H ALA 41 -6.827 2.320 6.312 285 HA ALA 41 HA ALA 41 -5.413 3.560 7.476 286 1HB ALA 41 1HB ALA 41 -6.040 3.822 10.023 287 2HB ALA 41 2HB ALA 41 -7.105 4.504 8.771 288 3HB ALA 41 3HB ALA 41 -7.520 2.957 9.546 289 H ALA 42 H ALA 42 -4.194 1.383 6.830 290 HA ALA 42 HA ALA 42 -3.096 0.285 9.329 291 1HB ALA 42 1HB ALA 42 -4.321 -1.029 7.120 292 2HB ALA 42 2HB ALA 42 -2.579 -1.382 7.032 293 3HB ALA 42 3HB ALA 42 -3.492 -1.768 8.510 294 H ALA 43 H ALA 43 -2.202 0.523 5.809 295 HA ALA 43 HA ALA 43 0.500 0.579 6.151 296 1HB ALA 43 1HB ALA 43 0.529 1.043 3.913 297 2HB ALA 43 2HB ALA 43 -1.215 0.713 4.051 298 3HB ALA 43 3HB ALA 43 -0.623 2.391 4.069 299 H VAL 44 H VAL 44 -1.876 3.026 6.981 300 HA VAL 44 HA VAL 44 0.204 5.056 7.217 301 HB VAL 44 HB VAL 44 -2.692 4.988 6.840 302 1HG1 VAL 44 1HG1 VAL 44 -2.835 5.730 9.120 303 2HG1 VAL 44 2HG1 VAL 44 -1.515 6.900 8.881 304 3HG1 VAL 44 3HG1 VAL 44 -3.080 7.146 8.069 305 1HG2 VAL 44 1HG2 VAL 44 -0.628 7.176 6.416 306 2HG2 VAL 44 2HG2 VAL 44 -1.062 5.922 5.229 307 3HG2 VAL 44 3HG2 VAL 44 -2.274 7.122 5.739 308 H ALA 45 H ALA 45 -1.854 2.851 9.095 309 HA ALA 45 HA ALA 45 -1.891 3.934 11.555 310 1HB ALA 45 1HB ALA 45 -2.069 1.700 12.382 311 2HB ALA 45 2HB ALA 45 -2.735 1.664 10.731 312 3HB ALA 45 3HB ALA 45 -1.093 1.050 11.042 313 H ALA 46 H ALA 46 0.843 1.907 10.265 314 HA ALA 46 HA ALA 46 2.524 2.308 12.430 315 1HB ALA 46 1HB ALA 46 2.897 0.570 10.776 316 2HB ALA 46 2HB ALA 46 3.103 1.782 9.488 317 3HB ALA 46 3HB ALA 46 4.310 1.652 10.789 318 H ALA 47 H ALA 47 2.594 3.988 9.200 319 HA ALA 47 HA ALA 47 4.476 5.887 9.964 320 1HB ALA 47 1HB ALA 47 2.825 5.239 7.701 321 2HB ALA 47 2HB ALA 47 2.704 6.988 8.011 322 3HB ALA 47 3HB ALA 47 4.298 6.238 7.755 323 H THR 48 H THR 48 3.651 8.417 9.646 324 HA THR 48 HA THR 48 2.711 10.140 10.691 325 HB THR 48 HB THR 48 0.418 8.127 10.689 326 HG1 THR 48 HG1 THR 48 0.919 10.724 9.425 327 1HG2 THR 48 1HG2 THR 48 -1.099 9.948 11.285 328 2HG2 THR 48 2HG2 THR 48 0.119 9.834 12.578 329 3HG2 THR 48 3HG2 THR 48 0.246 11.112 11.346 330 H ALA 49 H ALA 49 4.332 10.078 12.332 331 HA ALA 49 HA ALA 49 4.292 8.542 14.588 332 1HB ALA 49 1HB ALA 49 5.636 10.345 15.587 333 2HB ALA 49 2HB ALA 49 6.106 10.080 13.892 334 3HB ALA 49 3HB ALA 49 5.084 11.472 14.324 335 H ALA 50 H ALA 50 3.928 9.664 16.922 336 HA ALA 50 HA ALA 50 1.082 10.153 16.992 337 1HB ALA 50 1HB ALA 50 1.511 8.779 18.749 338 2HB ALA 50 2HB ALA 50 3.225 9.255 18.829 339 3HB ALA 50 3HB ALA 50 1.980 10.280 19.584 340 H VAL 51 H VAL 51 2.155 12.236 15.609 341 HA VAL 51 HA VAL 51 2.558 14.423 15.585 342 HB VAL 51 HB VAL 51 0.181 14.310 16.112 343 1HG1 VAL 51 1HG1 VAL 51 1.139 14.335 18.985 344 2HG1 VAL 51 2HG1 VAL 51 -0.519 14.780 18.514 345 3HG1 VAL 51 3HG1 VAL 51 0.092 13.143 18.177 346 1HG2 VAL 51 1HG2 VAL 51 0.025 16.551 16.254 347 2HG2 VAL 51 2HG2 VAL 51 0.895 16.611 17.806 348 3HG2 VAL 51 3HG2 VAL 51 1.805 16.519 16.279 349 H GLU 52 H GLU 52 4.710 13.270 16.704 350 HA GLU 52 HA GLU 52 5.169 14.807 19.137 351 1HB GLU 52 1HB GLU 52 5.425 12.281 19.234 352 2HB GLU 52 2HB GLU 52 6.758 12.418 18.105 353 1HG GLU 52 1HG GLU 52 7.905 13.993 19.731 354 2HG GLU 52 2HG GLU 52 6.607 13.704 20.872 355 HE2 GLU 52 HE2 GLU 52 9.299 12.713 21.532 356 H GLY 53 H GLY 53 7.341 15.834 19.382 357 1HA GLY 53 1HA GLY 53 8.028 17.401 17.178 358 2HA GLY 53 2HA GLY 53 8.970 17.190 18.640 359 H THR 54 H THR 54 10.414 15.236 18.801 360 HA THR 54 HA THR 54 12.235 14.258 17.910 361 HB THR 54 HB THR 54 9.909 13.088 16.299 362 HG1 THR 54 HG1 THR 54 10.297 11.475 18.099 363 1HG2 THR 54 1HG2 THR 54 11.404 11.032 16.232 364 2HG2 THR 54 2HG2 THR 54 12.000 12.366 15.216 365 3HG2 THR 54 3HG2 THR 54 12.748 12.051 16.800 366 H GLY 55 H GLY 55 13.454 15.967 17.088 367 1HA GLY 55 1HA GLY 55 13.021 17.302 14.704 368 2HA GLY 55 2HA GLY 55 14.574 17.070 15.482 369 H GLY 56 H GLY 56 14.420 17.161 12.690 370 1HA GLY 56 1HA GLY 56 14.182 14.536 11.563 371 2HA GLY 56 2HA GLY 56 14.776 15.989 10.784 372 H SER 57 H SER 57 15.687 12.933 11.626 373 HA SER 57 HA SER 57 18.463 13.739 11.650 374 1HB SER 57 1HB SER 57 17.275 11.751 13.637 375 2HB SER 57 2HB SER 57 18.988 12.065 13.438 376 HG SER 57 HG SER 57 17.154 13.451 14.919 377 H GLY 58 H GLY 58 19.909 11.690 11.258 378 1HA GLY 58 1HA GLY 58 18.607 10.124 9.157 379 2HA GLY 58 2HA GLY 58 20.327 10.317 9.432 380 H GLY 59 H GLY 59 21.231 8.372 9.943 381 1HA GLY 59 1HA GLY 59 21.590 6.408 10.972 382 2HA GLY 59 2HA GLY 59 20.630 7.012 12.308 383 H GLY 60 H GLY 60 20.432 4.341 11.854 384 1HA GLY 60 1HA GLY 60 17.747 3.834 11.591 385 2HA GLY 60 2HA GLY 60 18.394 3.644 9.974 386 HA PRO 61 HA PRO 61 19.884 -0.271 11.092 387 1HB PRO 61 1HB PRO 61 21.983 -0.630 9.381 388 2HB PRO 61 2HB PRO 61 20.311 -0.838 8.902 389 1HG PRO 61 1HG PRO 61 22.150 1.393 8.287 390 2HG PRO 61 2HG PRO 61 20.651 0.955 7.492 391 1HD PRO 61 1HD PRO 61 21.045 3.107 9.346 392 2HD PRO 61 2HD PRO 61 19.525 2.597 8.640 393 H HIS 62 H HIS 62 21.811 -1.651 11.791 394 HA HIS 62 HA HIS 62 23.533 0.153 13.332 395 1HB HIS 62 1HB HIS 62 22.502 -2.584 14.128 396 2HB HIS 62 2HB HIS 62 23.612 -1.601 15.062 397 HD1 HIS 62 HD1 HIS 62 22.421 -0.536 16.969 398 HD2 HIS 62 HD2 HIS 62 20.011 -0.746 13.542 399 HE1 HIS 62 HE1 HIS 62 20.196 0.545 17.593 400 H HIS 63 H HIS 63 25.603 -1.227 14.104 401 HA HIS 63 HA HIS 63 27.225 -1.545 12.016 402 1HB HIS 63 1HB HIS 63 27.589 -1.731 14.611 403 2HB HIS 63 2HB HIS 63 27.487 -3.456 14.320 404 HD1 HIS 63 HD1 HIS 63 29.674 -4.551 13.832 405 HD2 HIS 63 HD2 HIS 63 29.672 -0.497 12.756 406 HE1 HIS 63 HE1 HIS 63 32.032 -4.029 13.009 407 H HIS 64 H HIS 64 25.578 -4.364 13.630 408 HA HIS 64 HA HIS 64 24.955 -6.321 12.862 409 1HB HIS 64 1HB HIS 64 23.987 -4.473 11.036 410 2HB HIS 64 2HB HIS 64 24.770 -5.659 10.011 411 HD1 HIS 64 HD1 HIS 64 22.382 -6.380 9.138 412 HD2 HIS 64 HD2 HIS 64 23.062 -7.075 13.218 413 HE1 HIS 64 HE1 HIS 64 20.529 -7.952 9.914 414 H HIS 65 H HIS 65 25.518 -8.128 11.102 415 HA HIS 65 HA HIS 65 27.056 -9.441 10.254 416 1HB HIS 65 1HB HIS 65 27.743 -6.805 9.245 417 2HB HIS 65 2HB HIS 65 29.175 -7.801 9.407 418 HD1 HIS 65 HD1 HIS 65 29.637 -8.517 7.041 419 HD2 HIS 65 HD2 HIS 65 25.619 -9.054 8.120 420 HE1 HIS 65 HE1 HIS 65 28.532 -9.741 5.094 421 H GLN 66 H GLN 66 28.957 -10.605 10.873 422 HA GLN 66 HA GLN 66 29.686 -10.171 13.520 423 1HB GLN 66 1HB GLN 66 29.699 -12.354 12.101 424 2HB GLN 66 2HB GLN 66 31.280 -11.843 11.547 425 1HG GLN 66 1HG GLN 66 32.280 -12.185 13.613 426 2HG GLN 66 2HG GLN 66 30.842 -11.739 14.509 427 1HE2 GLN 66 1HE2 GLN 66 31.514 -13.652 15.747 428 2HE2 GLN 66 2HE2 GLN 66 30.933 -15.214 15.273 429 H THR 67 H THR 67 32.243 -10.236 14.085 430 HA THR 67 HA THR 67 33.846 -8.604 12.350 431 HB THR 67 HB THR 67 33.037 -7.458 15.066 432 HG1 THR 67 HG1 THR 67 31.165 -7.293 13.805 433 1HG2 THR 67 1HG2 THR 67 34.697 -6.581 12.710 434 2HG2 THR 67 2HG2 THR 67 33.655 -5.351 13.465 435 3HG2 THR 67 3HG2 THR 67 34.892 -6.187 14.435 436 H ARG 68 H ARG 68 36.008 -8.070 13.509 437 HA ARG 68 HA ARG 68 37.111 -10.461 14.209 438 1HB ARG 68 1HB ARG 68 37.981 -7.775 13.837 439 2HB ARG 68 2HB ARG 68 38.559 -8.221 15.430 440 1HG ARG 68 1HG ARG 68 38.938 -10.279 13.286 441 2HG ARG 68 2HG ARG 68 39.892 -8.819 13.117 442 1HD ARG 68 1HD ARG 68 39.993 -9.644 15.892 443 2HD ARG 68 2HD ARG 68 40.348 -11.040 14.894 444 HE ARG 68 HE ARG 68 42.320 -9.988 14.118 445 1HH1 ARG 68 2HH2 ARG 68 40.379 -7.697 15.998 446 2HH1 ARG 68 1HH2 ARG 68 41.643 -6.517 16.097 447 1HH2 ARG 68 1HH ARG 68 43.756 -6.970 15.062 448 H GLY 69 H GLY 69 37.647 -11.476 16.208 449 1HA GLY 69 1HA GLY 69 37.057 -10.110 18.703 450 2HA GLY 69 2HA GLY 69 35.995 -11.448 18.308 451 H ALA 70 H ALA 70 39.404 -10.502 18.916 452 HA ALA 70 HA ALA 70 40.190 -13.295 19.047 453 1HB ALA 70 1HB ALA 70 41.475 -10.687 18.651 454 2HB ALA 70 2HB ALA 70 42.343 -11.706 19.825 455 3HB ALA 70 3HB ALA 70 42.028 -12.313 18.182 456 H TYR 71 H TYR 71 39.950 -14.430 20.900 457 HA TYR 71 HA TYR 71 39.198 -13.153 23.308 458 1HB TYR 71 1HB TYR 71 38.927 -15.616 22.196 459 2HB TYR 71 2HB TYR 71 40.429 -15.935 23.041 460 HD1 TYR 71 HD1 TYR 71 40.104 -17.149 24.982 461 HD2 TYR 71 HD2 TYR 71 37.238 -14.151 23.931 462 HE1 TYR 71 HE1 TYR 71 38.798 -17.643 27.107 463 HE2 TYR 71 HE2 TYR 71 35.941 -14.655 26.059 464 HH TYR 71 HH TYR 71 35.910 -17.105 27.609 465 H SER 72 H SER 72 40.397 -12.417 25.008 466 HA SER 72 HA SER 72 43.241 -12.524 24.680 467 1HB SER 72 1HB SER 72 42.072 -10.419 25.345 468 2HB SER 72 2HB SER 72 41.528 -11.187 26.823 469 HG SER 72 HG SER 72 44.108 -11.612 26.904 470 H SER 73 H SER 73 44.452 -14.163 25.549 471 HA SER 73 HA SER 73 43.600 -15.191 28.120 472 1HB SER 73 1HB SER 73 43.789 -16.718 25.561 473 2HB SER 73 2HB SER 73 44.515 -17.496 26.953 474 HG SER 73 HG SER 73 41.777 -16.676 26.582 475 H HIS 74 H HIS 74 45.405 -13.859 28.900 476 HA HIS 74 HA HIS 74 48.025 -14.597 27.916 477 1HB HIS 74 1HB HIS 74 48.790 -12.776 29.442 478 2HB HIS 74 2HB HIS 74 47.686 -12.262 28.182 479 HD1 HIS 74 HD1 HIS 74 45.124 -11.834 28.969 480 HD2 HIS 74 HD2 HIS 74 47.975 -12.207 32.023 481 HE1 HIS 74 HE1 HIS 74 44.044 -10.882 31.076 482 H ASP 75 H ASP 75 49.704 -15.454 29.290 483 HA ASP 75 HA ASP 75 49.243 -16.088 31.949 484 1HB ASP 75 1HB ASP 75 49.240 -18.654 31.583 485 2HB ASP 75 2HB ASP 75 47.724 -17.807 31.348 486 HD2 ASP 75 HD2 ASP 75 49.347 -20.220 29.955 Start of MODEL 3 1 H MET 1 H MET 1 -53.122 35.323 3.246 2 HA MET 1 HA MET 1 -55.282 35.626 1.585 3 1HB MET 1 1HB MET 1 -53.116 33.522 1.954 4 2HB MET 1 2HB MET 1 -54.376 33.234 0.769 5 1HG MET 1 1HG MET 1 -53.106 34.459 -0.675 6 2HG MET 1 2HG MET 1 -53.641 35.870 0.216 7 1HE MET 1 1HE MET 1 -50.522 37.211 -0.047 8 2HE MET 1 2HE MET 1 -52.276 37.344 0.221 9 3HE MET 1 3HE MET 1 -51.155 37.456 1.599 10 H GLU 2 H GLU 2 -57.291 35.417 2.695 11 HA GLU 2 HA GLU 2 -57.980 32.647 3.186 12 1HB GLU 2 1HB GLU 2 -57.516 34.426 5.295 13 2HB GLU 2 2HB GLU 2 -59.258 34.478 5.114 14 1HG GLU 2 1HG GLU 2 -58.843 32.678 6.636 15 2HG GLU 2 2HG GLU 2 -59.226 31.906 5.109 16 HE2 GLU 2 HE2 GLU 2 -56.841 30.076 4.958 17 H VAL 3 H VAL 3 -59.559 32.269 1.689 18 HA VAL 3 HA VAL 3 -61.307 34.476 0.957 19 HB VAL 3 HB VAL 3 -61.105 31.694 -0.205 20 1HG1 VAL 3 1HG1 VAL 3 -62.595 34.180 -0.909 21 2HG1 VAL 3 2HG1 VAL 3 -61.907 33.233 -2.249 22 3HG1 VAL 3 3HG1 VAL 3 -63.048 32.471 -1.115 23 1HG2 VAL 3 1HG2 VAL 3 -59.076 32.271 -0.951 24 2HG2 VAL 3 2HG2 VAL 3 -59.896 33.463 -1.987 25 3HG2 VAL 3 3HG2 VAL 3 -59.266 33.951 -0.395 26 H ALA 4 H ALA 4 -63.683 34.086 0.809 27 HA ALA 4 HA ALA 4 -64.682 33.185 3.246 28 1HB ALA 4 1HB ALA 4 -66.264 33.415 0.668 29 2HB ALA 4 2HB ALA 4 -66.806 33.736 2.333 30 3HB ALA 4 3HB ALA 4 -65.662 34.845 1.540 31 H MET 5 H MET 5 -64.641 31.119 3.977 32 HA MET 5 HA MET 5 -64.837 28.956 4.053 33 1HB MET 5 1HB MET 5 -67.069 29.855 2.630 34 2HB MET 5 2HB MET 5 -66.434 28.633 1.546 35 1HG MET 5 1HG MET 5 -67.449 27.064 2.840 36 2HG MET 5 2HG MET 5 -66.281 27.426 4.096 37 1HE MET 5 1HE MET 5 -68.828 26.223 4.687 38 2HE MET 5 2HE MET 5 -70.067 27.227 5.477 39 3HE MET 5 3HE MET 5 -70.051 27.065 3.705 40 H VAL 6 H VAL 6 -62.809 28.103 3.645 41 HA VAL 6 HA VAL 6 -62.209 27.552 0.820 42 HB VAL 6 HB VAL 6 -60.134 27.826 2.974 43 1HG1 VAL 6 1HG1 VAL 6 -59.483 26.830 0.820 44 2HG1 VAL 6 2HG1 VAL 6 -60.067 28.282 -0.029 45 3HG1 VAL 6 3HG1 VAL 6 -58.683 28.398 1.084 46 1HG2 VAL 6 1HG2 VAL 6 -59.945 30.241 1.839 47 2HG2 VAL 6 2HG2 VAL 6 -61.701 30.005 1.665 48 3HG2 VAL 6 3HG2 VAL 6 -60.949 29.939 3.277 49 H SER 7 H SER 7 -60.950 25.532 0.449 50 HA SER 7 HA SER 7 -61.159 23.648 2.629 51 1HB SER 7 1HB SER 7 -62.945 23.687 0.337 52 2HB SER 7 2HB SER 7 -61.981 22.224 0.294 53 HG SER 7 HG SER 7 -63.686 23.155 2.435 54 H ALA 8 H ALA 8 -58.828 23.729 2.667 55 HA ALA 8 HA ALA 8 -57.328 23.314 0.286 56 1HB ALA 8 1HB ALA 8 -56.557 23.120 3.226 57 2HB ALA 8 2HB ALA 8 -55.426 23.217 1.855 58 3HB ALA 8 3HB ALA 8 -56.492 24.592 2.228 59 H GLU 9 H GLU 9 -58.505 21.381 -0.522 60 HA GLU 9 HA GLU 9 -58.897 19.067 0.684 61 1HB GLU 9 1HB GLU 9 -58.935 18.069 -1.441 62 2HB GLU 9 2HB GLU 9 -59.160 19.766 -1.819 63 1HG GLU 9 1HG GLU 9 -57.394 19.525 -3.237 64 2HG GLU 9 2HG GLU 9 -56.390 19.561 -1.802 65 HE2 GLU 9 HE2 GLU 9 -55.280 17.593 -1.391 66 H SER 10 H SER 10 -57.711 17.031 0.970 67 HA SER 10 HA SER 10 -54.907 17.044 0.588 68 1HB SER 10 1HB SER 10 -56.033 17.783 3.225 69 2HB SER 10 2HB SER 10 -54.893 16.455 3.308 70 HG SER 10 HG SER 10 -54.146 18.877 3.365 71 H SER 11 H SER 11 -54.122 14.899 0.544 72 HA SER 11 HA SER 11 -55.665 12.850 1.792 73 1HB SER 11 1HB SER 11 -55.577 13.170 -1.223 74 2HB SER 11 2HB SER 11 -55.756 11.582 -0.505 75 HG SER 11 HG SER 11 -57.537 13.011 0.799 76 H GLY 12 H GLY 12 -54.432 10.879 2.017 77 1HA GLY 12 1HA GLY 12 -52.592 9.512 1.443 78 2HA GLY 12 2HA GLY 12 -51.730 10.916 0.846 79 H CYS 13 H CYS 13 -50.895 8.887 2.885 80 HA CYS 13 HA CYS 13 -49.774 8.838 4.770 81 1HB CYS 13 1HB CYS 13 -48.683 10.901 3.919 82 2HB CYS 13 2HB CYS 13 -49.887 11.873 4.741 83 HG CYS 13 HG CYS 13 -49.438 10.729 7.140 84 H ASN 14 H ASN 14 -52.011 7.908 5.407 85 HA ASN 14 HA ASN 14 -53.516 9.691 7.092 86 1HB ASN 14 1HB ASN 14 -54.021 7.214 5.613 87 2HB ASN 14 2HB ASN 14 -54.532 7.022 7.278 88 1HD2 ASN 14 1HD2 ASN 14 -55.982 7.322 4.681 89 2HD2 ASN 14 2HD2 ASN 14 -57.131 8.597 4.915 90 H SER 15 H SER 15 -50.694 8.686 7.725 91 HA SER 15 HA SER 15 -49.545 7.985 9.426 92 1HB SER 15 1HB SER 15 -52.058 8.886 10.627 93 2HB SER 15 2HB SER 15 -51.337 7.608 11.584 94 HG SER 15 HG SER 15 -49.526 9.577 10.687 95 H HIS 16 H HIS 16 -49.304 5.923 8.212 96 HA HIS 16 HA HIS 16 -49.833 3.717 9.832 97 1HB HIS 16 1HB HIS 16 -52.148 4.207 8.831 98 2HB HIS 16 2HB HIS 16 -51.484 3.662 7.303 99 HD1 HIS 16 HD1 HIS 16 -53.634 2.338 9.588 100 HD2 HIS 16 HD2 HIS 16 -49.920 0.955 8.214 101 HE1 HIS 16 HE1 HIS 16 -53.599 -0.175 10.030 102 H MET 17 H MET 17 -47.454 4.371 9.126 103 HA MET 17 HA MET 17 -46.807 3.414 6.506 104 1HB MET 17 1HB MET 17 -45.247 4.556 8.872 105 2HB MET 17 2HB MET 17 -44.400 3.893 7.489 106 1HG MET 17 1HG MET 17 -45.797 5.471 6.011 107 2HG MET 17 2HG MET 17 -46.366 6.229 7.485 108 1HE MET 17 1HE MET 17 -44.071 8.938 6.454 109 2HE MET 17 2HE MET 17 -45.709 8.242 6.510 110 3HE MET 17 3HE MET 17 -44.881 8.694 8.020 111 HA PRO 18 HA PRO 18 -45.639 -0.591 7.700 112 1HB PRO 18 1HB PRO 18 -43.675 -1.204 5.902 113 2HB PRO 18 2HB PRO 18 -45.383 -1.268 5.514 114 1HG PRO 18 1HG PRO 18 -43.378 0.756 4.725 115 2HG PRO 18 2HG PRO 18 -44.951 0.436 4.022 116 1HD PRO 18 1HD PRO 18 -44.261 2.602 5.771 117 2HD PRO 18 2HD PRO 18 -45.858 2.215 5.161 118 H TYR 19 H TYR 19 -44.810 -1.111 9.615 119 HA TYR 19 HA TYR 19 -42.840 0.186 10.879 120 1HB TYR 19 1HB TYR 19 -43.419 -2.833 10.668 121 2HB TYR 19 2HB TYR 19 -42.464 -2.140 11.963 122 HD1 TYR 19 HD1 TYR 19 -45.839 -2.597 10.620 123 HD2 TYR 19 HD2 TYR 19 -43.524 -0.750 13.708 124 HE1 TYR 19 HE1 TYR 19 -47.953 -2.191 11.972 125 HE2 TYR 19 HE2 TYR 19 -45.647 -0.349 15.049 126 HH TYR 19 HH TYR 19 -48.776 -0.855 13.664 127 H GLY 20 H GLY 20 -40.955 0.887 9.926 128 1HA GLY 20 1HA GLY 20 -38.977 -1.136 9.310 129 2HA GLY 20 2HA GLY 20 -39.491 -0.176 7.937 130 H TYR 21 H TYR 21 -38.608 1.849 7.619 131 HA TYR 21 HA TYR 21 -36.337 2.679 8.729 132 1HB TYR 21 1HB TYR 21 -38.663 3.780 7.298 133 2HB TYR 21 2HB TYR 21 -38.039 5.001 8.389 134 HD1 TYR 21 HD1 TYR 21 -37.086 2.748 5.582 135 HD2 TYR 21 HD2 TYR 21 -36.066 6.216 7.870 136 HE1 TYR 21 HE1 TYR 21 -35.270 3.333 3.900 137 HE2 TYR 21 HE2 TYR 21 -34.254 6.789 6.182 138 HH TYR 21 HH TYR 21 -33.194 4.575 3.855 139 H ALA 22 H ALA 22 -39.593 3.041 10.163 140 HA ALA 22 HA ALA 22 -38.907 4.919 12.117 141 1HB ALA 22 1HB ALA 22 -40.966 2.751 12.533 142 2HB ALA 22 2HB ALA 22 -41.035 4.473 12.979 143 3HB ALA 22 3HB ALA 22 -41.210 3.986 11.275 144 H ALA 23 H ALA 23 -39.270 1.306 12.386 145 HA ALA 23 HA ALA 23 -37.990 1.315 14.940 146 1HB ALA 23 1HB ALA 23 -38.439 -1.025 14.915 147 2HB ALA 23 2HB ALA 23 -39.815 -0.270 14.076 148 3HB ALA 23 3HB ALA 23 -38.530 -1.067 13.138 149 H GLN 24 H GLN 24 -36.853 1.756 11.804 150 HA GLN 24 HA GLN 24 -34.484 0.170 12.166 151 1HB GLN 24 1HB GLN 24 -35.904 0.947 9.937 152 2HB GLN 24 2HB GLN 24 -34.605 2.124 9.922 153 1HG GLN 24 1HG GLN 24 -33.186 0.564 9.098 154 2HG GLN 24 2HG GLN 24 -33.410 -0.413 10.536 155 1HE2 GLN 24 1HE2 GLN 24 -33.334 -2.339 9.457 156 2HE2 GLN 24 2HE2 GLN 24 -34.592 -2.921 8.418 157 H ALA 25 H ALA 25 -35.573 3.043 13.418 158 HA ALA 25 HA ALA 25 -33.475 4.824 12.937 159 1HB ALA 25 1HB ALA 25 -34.350 5.663 15.303 160 2HB ALA 25 2HB ALA 25 -35.361 5.817 13.847 161 3HB ALA 25 3HB ALA 25 -35.645 4.482 14.991 162 H ARG 26 H ARG 26 -33.658 1.866 14.768 163 HA ARG 26 HA ARG 26 -31.672 2.558 16.638 164 1HB ARG 26 1HB ARG 26 -33.488 0.449 16.296 165 2HB ARG 26 2HB ARG 26 -31.944 -0.327 16.006 166 1HG ARG 26 1HG ARG 26 -31.719 -0.465 18.263 167 2HG ARG 26 2HG ARG 26 -31.419 1.262 18.249 168 1HD ARG 26 1HD ARG 26 -34.261 0.948 18.095 169 2HD ARG 26 2HD ARG 26 -33.712 -0.179 19.319 170 HE ARG 26 HE ARG 26 -33.112 1.626 20.692 171 1HH1 ARG 26 2HH2 ARG 26 -33.605 2.806 17.388 172 2HH1 ARG 26 1HH2 ARG 26 -33.489 4.476 17.835 173 1HH2 ARG 26 1HH ARG 26 -33.109 5.053 20.129 174 H ALA 27 H ALA 27 -31.742 1.331 13.320 175 HA ALA 27 HA ALA 27 -29.104 0.254 13.352 176 1HB ALA 27 1HB ALA 27 -31.360 0.564 11.499 177 2HB ALA 27 2HB ALA 27 -29.785 0.810 10.709 178 3HB ALA 27 3HB ALA 27 -30.117 -0.707 11.578 179 H ARG 28 H ARG 28 -30.594 3.433 12.883 180 HA ARG 28 HA ARG 28 -28.526 4.587 11.455 181 1HB ARG 28 1HB ARG 28 -31.006 5.398 12.405 182 2HB ARG 28 2HB ARG 28 -29.930 6.344 13.415 183 1HG ARG 28 1HG ARG 28 -29.116 6.315 10.566 184 2HG ARG 28 2HG ARG 28 -30.711 6.996 10.814 185 1HD ARG 28 1HD ARG 28 -29.892 8.859 11.880 186 2HD ARG 28 2HD ARG 28 -28.720 7.939 12.803 187 HE ARG 28 HE ARG 28 -28.005 8.057 9.985 188 1HH1 ARG 28 2HH2 ARG 28 -27.883 9.884 13.018 189 2HH1 ARG 28 1HH2 ARG 28 -26.516 10.832 12.537 190 1HH2 ARG 28 1HH ARG 28 -25.543 10.476 10.375 191 H GLU 29 H GLU 29 -29.024 3.925 14.926 192 HA GLU 29 HA GLU 29 -26.857 5.603 15.707 193 1HB GLU 29 1HB GLU 29 -27.340 4.827 17.965 194 2HB GLU 29 2HB GLU 29 -28.853 5.194 17.160 195 1HG GLU 29 1HG GLU 29 -29.544 3.000 17.154 196 2HG GLU 29 2HG GLU 29 -27.943 2.386 16.791 197 HE2 GLU 29 HE2 GLU 29 -27.182 1.200 18.727 198 H ARG 30 H ARG 30 -27.326 2.305 14.620 199 HA ARG 30 HA ARG 30 -24.848 1.455 15.794 200 1HB ARG 30 1HB ARG 30 -27.175 0.161 14.441 201 2HB ARG 30 2HB ARG 30 -25.632 -0.600 14.109 202 1HG ARG 30 1HG ARG 30 -25.948 0.082 16.965 203 2HG ARG 30 2HG ARG 30 -27.212 -0.991 16.397 204 1HD ARG 30 1HD ARG 30 -25.457 -2.532 15.455 205 2HD ARG 30 2HD ARG 30 -24.209 -1.470 16.075 206 HE ARG 30 HE ARG 30 -24.686 -2.189 18.284 207 1HH1 ARG 30 2HH2 ARG 30 -27.064 -3.509 16.013 208 2HH1 ARG 30 1HH2 ARG 30 -27.709 -4.641 17.154 209 1HH2 ARG 30 1HH ARG 30 -26.797 -4.724 19.369 210 H GLU 31 H GLU 31 -26.198 2.616 12.732 211 HA GLU 31 HA GLU 31 -24.224 1.597 11.053 212 1HB GLU 31 1HB GLU 31 -26.325 3.734 10.890 213 2HB GLU 31 2HB GLU 31 -25.042 3.795 9.698 214 1HG GLU 31 1HG GLU 31 -26.158 1.071 10.133 215 2HG GLU 31 2HG GLU 31 -27.318 2.224 9.501 216 HE2 GLU 31 HE2 GLU 31 -24.318 0.666 7.602 217 H ARG 32 H ARG 32 -24.337 4.334 13.279 218 HA ARG 32 HA ARG 32 -22.423 5.924 12.127 219 1HB ARG 32 1HB ARG 32 -23.974 6.143 14.327 220 2HB ARG 32 2HB ARG 32 -22.505 5.631 15.134 221 1HG ARG 32 1HG ARG 32 -22.079 7.899 15.125 222 2HG ARG 32 2HG ARG 32 -21.417 7.530 13.545 223 1HD ARG 32 1HD ARG 32 -23.290 8.402 12.398 224 2HD ARG 32 2HD ARG 32 -24.367 8.172 13.761 225 HE ARG 32 HE ARG 32 -23.610 10.207 14.711 226 1HH1 ARG 32 2HH2 ARG 32 -21.655 9.369 11.877 227 2HH1 ARG 32 1HH2 ARG 32 -20.903 10.926 11.781 228 1HH2 ARG 32 1HH ARG 32 -21.484 12.611 13.383 229 H LEU 33 H LEU 33 -22.184 2.905 13.984 230 HA LEU 33 HA LEU 33 -19.319 3.224 14.319 231 1HB LEU 33 1HB LEU 33 -21.356 1.969 15.763 232 2HB LEU 33 2HB LEU 33 -20.430 0.653 15.068 233 HG LEU 33 HG LEU 33 -18.704 2.701 16.233 234 1HD1 LEU 33 1HD1 LEU 33 -21.025 1.745 17.806 235 2HD1 LEU 33 2HD1 LEU 33 -19.441 1.673 18.614 236 3HD1 LEU 33 3HD1 LEU 33 -20.043 3.220 17.974 237 1HD2 LEU 33 1HD2 LEU 33 -17.392 0.927 16.475 238 2HD2 LEU 33 2HD2 LEU 33 -18.602 0.095 17.481 239 3HD2 LEU 33 3HD2 LEU 33 -18.666 -0.051 15.708 240 H ALA 34 H ALA 34 -21.565 2.107 11.979 241 HA ALA 34 HA ALA 34 -19.877 0.005 10.964 242 1HB ALA 34 1HB ALA 34 -21.622 -0.231 9.289 243 2HB ALA 34 2HB ALA 34 -22.386 -0.033 10.885 244 3HB ALA 34 3HB ALA 34 -22.331 1.336 9.749 245 H HIS 35 H HIS 35 -19.422 3.234 11.132 246 HA HIS 35 HA HIS 35 -18.707 3.621 8.354 247 1HB HIS 35 1HB HIS 35 -19.343 5.314 10.643 248 2HB HIS 35 2HB HIS 35 -17.890 5.851 9.824 249 HD1 HIS 35 HD1 HIS 35 -21.432 4.775 8.782 250 HD2 HIS 35 HD2 HIS 35 -18.443 7.533 7.754 251 HE1 HIS 35 HE1 HIS 35 -22.400 6.214 6.910 252 H SER 36 H SER 36 -17.352 2.334 11.213 253 HA SER 36 HA SER 36 -14.689 3.215 10.572 254 1HB SER 36 1HB SER 36 -16.043 1.889 12.869 255 2HB SER 36 2HB SER 36 -14.400 1.351 12.584 256 HG SER 36 HG SER 36 -15.358 3.956 13.285 257 H ARG 37 H ARG 37 -16.884 0.597 9.893 258 HA ARG 37 HA ARG 37 -14.750 -1.249 9.370 259 1HB ARG 37 1HB ARG 37 -17.367 -1.587 10.180 260 2HB ARG 37 2HB ARG 37 -17.529 -1.890 8.461 261 1HG ARG 37 1HG ARG 37 -15.293 -3.229 10.012 262 2HG ARG 37 2HG ARG 37 -16.917 -3.880 10.102 263 1HD ARG 37 1HD ARG 37 -16.936 -3.894 7.526 264 2HD ARG 37 2HD ARG 37 -15.228 -3.508 7.586 265 HE ARG 37 HE ARG 37 -15.326 -5.685 9.229 266 1HH1 ARG 37 2HH2 ARG 37 -16.709 -5.141 6.013 267 2HH1 ARG 37 1HH2 ARG 37 -16.625 -6.810 5.559 268 1HH2 ARG 37 1HH ARG 37 -15.743 -8.407 7.113 269 H ALA 38 H ALA 38 -15.521 1.432 7.834 270 HA ALA 38 HA ALA 38 -16.344 0.654 5.263 271 1HB ALA 38 1HB ALA 38 -16.113 2.895 4.772 272 2HB ALA 38 2HB ALA 38 -16.152 2.995 6.548 273 3HB ALA 38 3HB ALA 38 -14.595 3.052 5.688 274 H ALA 39 H ALA 39 -13.058 1.585 6.524 275 HA ALA 39 HA ALA 39 -11.670 0.927 4.230 276 1HB ALA 39 1HB ALA 39 -9.711 0.930 5.686 277 2HB ALA 39 2HB ALA 39 -10.822 2.228 6.187 278 3HB ALA 39 3HB ALA 39 -10.740 0.716 7.122 279 H ALA 40 H ALA 40 -10.495 -0.951 3.569 280 HA ALA 40 HA ALA 40 -11.778 -3.315 3.658 281 1HB ALA 40 1HB ALA 40 -9.486 -2.356 2.530 282 2HB ALA 40 2HB ALA 40 -8.812 -3.511 3.705 283 3HB ALA 40 3HB ALA 40 -9.977 -4.066 2.479 284 H ALA 41 H ALA 41 -8.947 -2.458 5.780 285 HA ALA 41 HA ALA 41 -8.625 -2.933 7.946 286 1HB ALA 41 1HB ALA 41 -11.023 -4.770 8.023 287 2HB ALA 41 2HB ALA 41 -10.321 -3.781 9.326 288 3HB ALA 41 3HB ALA 41 -11.240 -3.004 8.014 289 H ALA 42 H ALA 42 -7.447 -4.248 5.702 290 HA ALA 42 HA ALA 42 -7.227 -7.007 6.686 291 1HB ALA 42 1HB ALA 42 -5.969 -6.756 4.170 292 2HB ALA 42 2HB ALA 42 -7.536 -7.524 4.520 293 3HB ALA 42 3HB ALA 42 -7.471 -5.809 4.049 294 H ALA 43 H ALA 43 -5.290 -4.288 5.241 295 HA ALA 43 HA ALA 43 -2.796 -5.268 5.745 296 1HB ALA 43 1HB ALA 43 -3.588 -3.120 4.543 297 2HB ALA 43 2HB ALA 43 -3.538 -2.357 6.150 298 3HB ALA 43 3HB ALA 43 -2.055 -3.040 5.442 299 H VAL 44 H VAL 44 -5.249 -4.205 8.019 300 HA VAL 44 HA VAL 44 -3.275 -3.992 10.153 301 HB VAL 44 HB VAL 44 -5.956 -2.972 9.598 302 1HG1 VAL 44 1HG1 VAL 44 -5.350 -4.120 12.340 303 2HG1 VAL 44 2HG1 VAL 44 -6.614 -2.906 12.030 304 3HG1 VAL 44 3HG1 VAL 44 -6.717 -4.512 11.270 305 1HG2 VAL 44 1HG2 VAL 44 -3.526 -2.173 11.174 306 2HG2 VAL 44 2HG2 VAL 44 -4.348 -1.327 9.841 307 3HG2 VAL 44 3HG2 VAL 44 -5.075 -1.345 11.465 308 H ALA 45 H ALA 45 -5.814 -6.093 8.824 309 HA ALA 45 HA ALA 45 -6.530 -7.663 10.871 310 1HB ALA 45 1HB ALA 45 -6.772 -9.454 9.228 311 2HB ALA 45 2HB ALA 45 -7.196 -7.899 8.475 312 3HB ALA 45 3HB ALA 45 -5.618 -8.650 8.138 313 H ALA 46 H ALA 46 -3.333 -7.595 9.237 314 HA ALA 46 HA ALA 46 -2.403 -9.770 10.919 315 1HB ALA 46 1HB ALA 46 -1.095 -8.129 8.714 316 2HB ALA 46 2HB ALA 46 -0.322 -9.489 9.563 317 3HB ALA 46 3HB ALA 46 -1.768 -9.769 8.564 318 H ALA 47 H ALA 47 -0.874 -6.609 10.021 319 HA ALA 47 HA ALA 47 0.321 -6.460 12.619 320 1HB ALA 47 1HB ALA 47 1.777 -5.151 11.510 321 2HB ALA 47 2HB ALA 47 0.844 -5.481 10.031 322 3HB ALA 47 3HB ALA 47 0.482 -4.038 11.009 323 H THR 48 H THR 48 -0.844 -5.859 14.376 324 HA THR 48 HA THR 48 -3.313 -4.853 14.511 325 HB THR 48 HB THR 48 -2.452 -3.783 16.713 326 HG1 THR 48 HG1 THR 48 -0.113 -4.476 16.992 327 1HG2 THR 48 1HG2 THR 48 -3.131 -6.158 16.761 328 2HG2 THR 48 2HG2 THR 48 -1.593 -6.637 16.006 329 3HG2 THR 48 3HG2 THR 48 -1.605 -5.974 17.658 330 H ALA 49 H ALA 49 -0.780 -2.431 15.270 331 HA ALA 49 HA ALA 49 -2.257 -0.247 14.687 332 1HB ALA 49 1HB ALA 49 0.706 -0.506 14.062 333 2HB ALA 49 2HB ALA 49 -0.176 0.945 14.596 334 3HB ALA 49 3HB ALA 49 0.062 -0.416 15.719 335 H ALA 50 H ALA 50 -2.778 1.006 12.877 336 HA ALA 50 HA ALA 50 -2.642 -0.428 10.374 337 1HB ALA 50 1HB ALA 50 -4.733 0.499 10.563 338 2HB ALA 50 2HB ALA 50 -4.156 1.870 11.541 339 3HB ALA 50 3HB ALA 50 -3.917 1.872 9.777 340 H VAL 51 H VAL 51 -0.062 0.068 11.079 341 HA VAL 51 HA VAL 51 0.635 2.291 9.293 342 HB VAL 51 HB VAL 51 0.931 2.697 11.807 343 1HG1 VAL 51 1HG1 VAL 51 2.489 1.573 13.030 344 2HG1 VAL 51 2HG1 VAL 51 2.092 0.272 11.882 345 3HG1 VAL 51 3HG1 VAL 51 3.541 1.274 11.626 346 1HG2 VAL 51 1HG2 VAL 51 2.808 3.196 9.573 347 2HG2 VAL 51 2HG2 VAL 51 2.016 4.335 10.689 348 3HG2 VAL 51 3HG2 VAL 51 3.475 3.454 11.204 349 H GLU 52 H GLU 52 0.251 -0.103 8.139 350 HA GLU 52 HA GLU 52 2.054 -2.058 8.293 351 1HB GLU 52 1HB GLU 52 0.190 -2.150 6.740 352 2HB GLU 52 2HB GLU 52 0.817 -0.805 5.808 353 1HG GLU 52 1HG GLU 52 2.917 -2.263 5.384 354 2HG GLU 52 2HG GLU 52 2.000 -3.603 6.045 355 HE2 GLU 52 HE2 GLU 52 2.044 -3.076 2.493 356 H GLY 53 H GLY 53 4.133 -2.561 7.386 357 1HA GLY 53 1HA GLY 53 5.954 -0.385 7.339 358 2HA GLY 53 2HA GLY 53 6.293 -2.066 6.978 359 H THR 54 H THR 54 5.968 -2.889 4.786 360 HA THR 54 HA THR 54 6.510 -2.623 2.611 361 HB THR 54 HB THR 54 3.888 -1.119 3.045 362 HG1 THR 54 HG1 THR 54 4.316 -3.530 3.405 363 1HG2 THR 54 1HG2 THR 54 3.748 -2.033 0.474 364 2HG2 THR 54 2HG2 THR 54 4.220 -0.363 0.869 365 3HG2 THR 54 3HG2 THR 54 5.470 -1.585 0.533 366 H GLY 55 H GLY 55 8.514 -1.572 2.651 367 1HA GLY 55 1HA GLY 55 8.818 1.208 2.965 368 2HA GLY 55 2HA GLY 55 9.967 0.096 2.250 369 H GLY 56 H GLY 56 10.593 1.415 0.496 370 1HA GLY 56 1HA GLY 56 9.018 2.967 -1.114 371 2HA GLY 56 2HA GLY 56 10.480 2.150 -1.629 372 H SER 57 H SER 57 8.110 2.646 -3.267 373 HA SER 57 HA SER 57 7.163 -0.093 -3.586 374 1HB SER 57 1HB SER 57 5.871 2.579 -3.908 375 2HB SER 57 2HB SER 57 5.454 1.394 -5.130 376 HG SER 57 HG SER 57 4.666 -0.017 -3.532 377 H GLY 58 H GLY 58 6.548 -0.544 -6.043 378 1HA GLY 58 1HA GLY 58 8.945 0.039 -7.587 379 2HA GLY 58 2HA GLY 58 7.685 -1.121 -7.958 380 H GLY 59 H GLY 59 7.984 -0.080 -10.185 381 1HA GLY 59 1HA GLY 59 6.049 2.122 -10.433 382 2HA GLY 59 2HA GLY 59 7.636 2.285 -11.158 383 H GLY 60 H GLY 60 5.856 2.487 -13.041 384 1HA GLY 60 1HA GLY 60 5.639 -0.206 -14.248 385 2HA GLY 60 2HA GLY 60 4.352 0.980 -14.342 386 HA PRO 61 HA PRO 61 7.958 2.587 -16.984 387 1HB PRO 61 1HB PRO 61 10.132 0.984 -17.406 388 2HB PRO 61 2HB PRO 61 10.088 2.237 -16.181 389 1HG PRO 61 1HG PRO 61 9.887 -0.693 -15.844 390 2HG PRO 61 2HG PRO 61 10.269 0.527 -14.645 391 1HD PRO 61 1HD PRO 61 7.766 -0.836 -14.970 392 2HD PRO 61 2HD PRO 61 8.113 0.465 -13.848 393 H HIS 62 H HIS 62 8.756 2.289 -19.285 394 HA HIS 62 HA HIS 62 7.368 -0.022 -20.410 395 1HB HIS 62 1HB HIS 62 6.255 1.252 -22.037 396 2HB HIS 62 2HB HIS 62 5.975 2.087 -20.522 397 HD1 HIS 62 HD1 HIS 62 6.195 3.163 -23.685 398 HD2 HIS 62 HD2 HIS 62 8.737 3.917 -20.434 399 HE1 HIS 62 HE1 HIS 62 7.420 5.335 -24.224 400 H HIS 63 H HIS 63 8.088 -0.411 -22.756 401 HA HIS 63 HA HIS 63 10.696 -0.932 -22.907 402 1HB HIS 63 1HB HIS 63 10.258 -1.581 -25.012 403 2HB HIS 63 2HB HIS 63 8.599 -1.225 -24.573 404 HD1 HIS 63 HD1 HIS 63 10.334 -0.908 -27.438 405 HD2 HIS 63 HD2 HIS 63 8.610 2.045 -25.007 406 HE1 HIS 63 HE1 HIS 63 9.967 1.126 -28.934 407 H HIS 64 H HIS 64 12.602 0.052 -23.832 408 HA HIS 64 HA HIS 64 12.432 2.975 -23.767 409 1HB HIS 64 1HB HIS 64 13.835 1.580 -22.045 410 2HB HIS 64 2HB HIS 64 14.983 1.438 -23.361 411 HD1 HIS 64 HD1 HIS 64 14.356 3.482 -20.530 412 HD2 HIS 64 HD2 HIS 64 15.491 4.281 -24.488 413 HE1 HIS 64 HE1 HIS 64 15.411 5.806 -20.516 414 H HIS 65 H HIS 65 11.592 2.440 -26.097 415 HA HIS 65 HA HIS 65 11.941 2.615 -28.256 416 1HB HIS 65 1HB HIS 65 14.375 3.791 -27.107 417 2HB HIS 65 2HB HIS 65 14.603 3.184 -28.735 418 HD1 HIS 65 HD1 HIS 65 13.680 6.180 -27.055 419 HD2 HIS 65 HD2 HIS 65 12.273 4.216 -30.484 420 HE1 HIS 65 HE1 HIS 65 12.427 7.934 -28.420 421 H GLN 66 H GLN 66 12.174 1.094 -29.870 422 HA GLN 66 HA GLN 66 13.485 -1.322 -29.060 423 1HB GLN 66 1HB GLN 66 12.338 -2.353 -30.915 424 2HB GLN 66 2HB GLN 66 11.199 -1.267 -30.143 425 1HG GLN 66 1HG GLN 66 12.675 0.222 -32.146 426 2HG GLN 66 2HG GLN 66 12.078 -1.254 -32.879 427 1HE2 GLN 66 1HE2 GLN 66 10.534 -0.337 -34.124 428 2HE2 GLN 66 2HE2 GLN 66 9.097 0.420 -33.521 429 H THR 67 H THR 67 14.542 -2.520 -31.215 430 HA THR 67 HA THR 67 15.987 -0.900 -32.987 431 HB THR 67 HB THR 67 17.004 -0.478 -30.529 432 HG1 THR 67 HG1 THR 67 19.110 -0.379 -31.835 433 1HG2 THR 67 1HG2 THR 67 18.475 -2.071 -29.747 434 2HG2 THR 67 2HG2 THR 67 17.512 -3.208 -30.722 435 3HG2 THR 67 3HG2 THR 67 19.005 -2.506 -31.390 436 H ARG 68 H ARG 68 18.333 -2.538 -33.221 437 HA ARG 68 HA ARG 68 17.275 -4.529 -34.777 438 1HB ARG 68 1HB ARG 68 19.775 -3.451 -34.398 439 2HB ARG 68 2HB ARG 68 20.001 -5.003 -33.617 440 1HG ARG 68 1HG ARG 68 20.522 -5.630 -35.785 441 2HG ARG 68 2HG ARG 68 18.794 -5.913 -35.842 442 1HD ARG 68 1HD ARG 68 18.638 -4.419 -37.543 443 2HD ARG 68 2HD ARG 68 19.124 -3.146 -36.441 444 HE ARG 68 HE ARG 68 21.351 -4.746 -37.520 445 1HH1 ARG 68 2HH2 ARG 68 19.354 -1.847 -37.922 446 2HH1 ARG 68 1HH2 ARG 68 20.518 -1.031 -38.911 447 1HH2 ARG 68 1HH ARG 68 22.588 -2.122 -39.430 448 H GLY 69 H GLY 69 17.848 -6.989 -34.480 449 1HA GLY 69 1HA GLY 69 18.361 -8.667 -32.768 450 2HA GLY 69 2HA GLY 69 17.357 -7.751 -31.662 451 H ALA 70 H ALA 70 17.429 -10.122 -34.230 452 HA ALA 70 HA ALA 70 14.831 -11.000 -33.660 453 1HB ALA 70 1HB ALA 70 13.510 -10.097 -35.295 454 2HB ALA 70 2HB ALA 70 14.669 -8.752 -35.166 455 3HB ALA 70 3HB ALA 70 14.851 -9.965 -36.457 456 H TYR 71 H TYR 71 15.435 -13.117 -33.696 457 HA TYR 71 HA TYR 71 16.322 -14.190 -36.230 458 1HB TYR 71 1HB TYR 71 18.376 -13.440 -34.862 459 2HB TYR 71 2HB TYR 71 17.843 -14.490 -33.565 460 HD1 TYR 71 HD1 TYR 71 18.257 -14.898 -37.282 461 HD2 TYR 71 HD2 TYR 71 19.152 -16.387 -33.373 462 HE1 TYR 71 HE1 TYR 71 19.553 -16.831 -38.307 463 HE2 TYR 71 HE2 TYR 71 20.445 -18.314 -34.410 464 HH TYR 71 HH TYR 71 20.806 -19.428 -36.294 465 H SER 72 H SER 72 14.818 -15.763 -36.524 466 HA SER 72 HA SER 72 13.601 -17.526 -36.181 467 1HB SER 72 1HB SER 72 15.825 -18.450 -35.304 468 2HB SER 72 2HB SER 72 15.244 -18.119 -33.685 469 HG SER 72 HG SER 72 13.901 -19.814 -35.615 470 H SER 73 H SER 73 11.619 -18.082 -35.123 471 HA SER 73 HA SER 73 11.120 -17.208 -32.492 472 1HB SER 73 1HB SER 73 9.320 -15.573 -33.029 473 2HB SER 73 2HB SER 73 10.896 -15.015 -33.556 474 HG SER 73 HG SER 73 9.578 -16.506 -35.516 475 H HIS 74 H HIS 74 9.201 -18.207 -31.662 476 HA HIS 74 HA HIS 74 7.548 -19.647 -31.572 477 1HB HIS 74 1HB HIS 74 6.508 -18.124 -33.244 478 2HB HIS 74 2HB HIS 74 7.152 -19.123 -34.531 479 HD1 HIS 74 HD1 HIS 74 5.162 -19.939 -31.338 480 HD2 HIS 74 HD2 HIS 74 5.157 -20.718 -35.460 481 HE1 HIS 74 HE1 HIS 74 3.178 -21.484 -31.771 482 H ASP 75 H ASP 75 8.331 -21.634 -31.053 483 HA ASP 75 HA ASP 75 9.350 -23.553 -31.230 484 1HB ASP 75 1HB ASP 75 7.673 -23.419 -33.746 485 2HB ASP 75 2HB ASP 75 8.705 -24.813 -33.495 486 HD2 ASP 75 HD2 ASP 75 7.731 -24.531 -30.352 Start of MODEL 4 1 H MET 1 H MET 1 -29.119 18.613 -18.938 2 HA MET 1 HA MET 1 -26.537 17.319 -19.092 3 1HB MET 1 1HB MET 1 -27.749 18.988 -17.211 4 2HB MET 1 2HB MET 1 -28.016 17.412 -16.494 5 1HG MET 1 1HG MET 1 -25.885 17.498 -15.707 6 2HG MET 1 2HG MET 1 -25.331 17.310 -17.359 7 1HE MET 1 1HE MET 1 -26.842 21.011 -15.568 8 2HE MET 1 2HE MET 1 -26.677 19.438 -14.751 9 3HE MET 1 3HE MET 1 -25.417 20.679 -14.554 10 H GLU 2 H GLU 2 -26.207 15.110 -18.781 11 HA GLU 2 HA GLU 2 -28.663 13.563 -18.646 12 1HB GLU 2 1HB GLU 2 -26.619 13.414 -20.457 13 2HB GLU 2 2HB GLU 2 -26.075 12.219 -19.297 14 1HG GLU 2 1HG GLU 2 -28.974 12.080 -20.032 15 2HG GLU 2 2HG GLU 2 -27.850 11.682 -21.315 16 HE2 GLU 2 HE2 GLU 2 -29.577 10.104 -19.233 17 H VAL 3 H VAL 3 -28.836 13.873 -16.287 18 HA VAL 3 HA VAL 3 -27.037 12.033 -14.883 19 HB VAL 3 HB VAL 3 -27.979 14.737 -13.906 20 1HG1 VAL 3 1HG1 VAL 3 -27.898 13.341 -12.005 21 2HG1 VAL 3 2HG1 VAL 3 -26.431 12.508 -12.571 22 3HG1 VAL 3 3HG1 VAL 3 -26.337 14.196 -12.013 23 1HG2 VAL 3 1HG2 VAL 3 -26.166 15.571 -14.901 24 2HG2 VAL 3 2HG2 VAL 3 -25.159 14.543 -13.854 25 3HG2 VAL 3 3HG2 VAL 3 -25.674 13.952 -15.452 26 H ALA 4 H ALA 4 -28.047 11.246 -12.783 27 HA ALA 4 HA ALA 4 -30.822 10.631 -13.342 28 1HB ALA 4 1HB ALA 4 -28.996 9.651 -11.113 29 2HB ALA 4 2HB ALA 4 -30.530 8.923 -11.647 30 3HB ALA 4 3HB ALA 4 -29.110 8.894 -12.720 31 H MET 5 H MET 5 -32.564 11.451 -12.240 32 HA MET 5 HA MET 5 -32.388 13.799 -10.927 33 1HB MET 5 1HB MET 5 -34.388 11.933 -11.626 34 2HB MET 5 2HB MET 5 -34.545 12.041 -9.884 35 1HG MET 5 1HG MET 5 -34.378 14.545 -11.611 36 2HG MET 5 2HG MET 5 -35.905 13.733 -11.331 37 1HE MET 5 1HE MET 5 -35.754 16.971 -9.150 38 2HE MET 5 2HE MET 5 -35.852 16.370 -10.823 39 3HE MET 5 3HE MET 5 -37.087 15.893 -9.633 40 H VAL 6 H VAL 6 -32.348 14.508 -8.734 41 HA VAL 6 HA VAL 6 -31.169 12.540 -6.936 42 HB VAL 6 HB VAL 6 -31.444 15.478 -6.394 43 1HG1 VAL 6 1HG1 VAL 6 -30.157 14.979 -4.644 44 2HG1 VAL 6 2HG1 VAL 6 -30.183 13.265 -5.122 45 3HG1 VAL 6 3HG1 VAL 6 -28.899 14.338 -5.728 46 1HG2 VAL 6 1HG2 VAL 6 -29.034 15.512 -7.492 47 2HG2 VAL 6 2HG2 VAL 6 -29.698 14.165 -8.447 48 3HG2 VAL 6 3HG2 VAL 6 -30.499 15.755 -8.474 49 H SER 7 H SER 7 -31.908 12.457 -4.656 50 HA SER 7 HA SER 7 -34.212 13.677 -3.802 51 1HB SER 7 1HB SER 7 -35.869 11.835 -3.935 52 2HB SER 7 2HB SER 7 -35.404 12.400 -5.527 53 HG SER 7 HG SER 7 -33.660 10.472 -4.995 54 H ALA 8 H ALA 8 -35.102 12.489 -1.745 55 HA ALA 8 HA ALA 8 -32.800 11.525 -0.307 56 1HB ALA 8 1HB ALA 8 -34.593 13.212 0.489 57 2HB ALA 8 2HB ALA 8 -35.634 11.789 0.731 58 3HB ALA 8 3HB ALA 8 -34.102 11.933 1.625 59 H GLU 9 H GLU 9 -32.807 9.604 -1.972 60 HA GLU 9 HA GLU 9 -33.068 7.482 -2.345 61 1HB GLU 9 1HB GLU 9 -32.272 7.022 -0.148 62 2HB GLU 9 2HB GLU 9 -33.764 7.550 0.606 63 1HG GLU 9 1HG GLU 9 -33.751 5.130 0.675 64 2HG GLU 9 2HG GLU 9 -34.954 5.604 -0.507 65 HE2 GLU 9 HE2 GLU 9 -31.613 3.699 -1.399 66 H SER 10 H SER 10 -34.649 5.771 -2.881 67 HA SER 10 HA SER 10 -36.565 5.121 -3.665 68 1HB SER 10 1HB SER 10 -38.399 5.004 -2.186 69 2HB SER 10 2HB SER 10 -37.026 5.160 -1.108 70 HG SER 10 HG SER 10 -37.478 7.524 -1.091 71 H SER 11 H SER 11 -38.873 5.904 -4.481 72 HA SER 11 HA SER 11 -38.428 8.571 -5.544 73 1HB SER 11 1HB SER 11 -40.034 7.909 -7.319 74 2HB SER 11 2HB SER 11 -38.680 6.802 -7.226 75 HG SER 11 HG SER 11 -41.183 6.091 -7.213 76 H GLY 12 H GLY 12 -39.203 9.624 -3.550 77 1HA GLY 12 1HA GLY 12 -40.809 10.756 -2.446 78 2HA GLY 12 2HA GLY 12 -41.981 10.203 -3.626 79 H CYS 13 H CYS 13 -43.140 8.203 -3.294 80 HA CYS 13 HA CYS 13 -42.623 6.427 -1.252 81 1HB CYS 13 1HB CYS 13 -44.339 7.022 0.426 82 2HB CYS 13 2HB CYS 13 -43.035 8.191 0.354 83 HG CYS 13 HG CYS 13 -44.663 9.358 -1.795 84 H ASN 14 H ASN 14 -43.231 5.901 -3.770 85 HA ASN 14 HA ASN 14 -46.112 5.659 -3.963 86 1HB ASN 14 1HB ASN 14 -43.911 6.017 -5.862 87 2HB ASN 14 2HB ASN 14 -44.842 4.598 -6.300 88 1HD2 ASN 14 1HD2 ASN 14 -46.547 4.888 -7.510 89 2HD2 ASN 14 2HD2 ASN 14 -47.463 6.345 -7.705 90 H SER 15 H SER 15 -44.248 4.011 -2.178 91 HA SER 15 HA SER 15 -45.417 1.566 -2.526 92 1HB SER 15 1HB SER 15 -43.463 0.184 -3.303 93 2HB SER 15 2HB SER 15 -44.123 1.228 -4.547 94 HG SER 15 HG SER 15 -41.952 1.599 -4.700 95 H HIS 16 H HIS 16 -45.575 1.974 -0.232 96 HA HIS 16 HA HIS 16 -43.503 0.835 1.264 97 1HB HIS 16 1HB HIS 16 -42.384 2.977 0.851 98 2HB HIS 16 2HB HIS 16 -43.760 3.846 1.502 99 HD1 HIS 16 HD1 HIS 16 -42.979 4.801 3.678 100 HD2 HIS 16 HD2 HIS 16 -41.800 0.805 3.191 101 HE1 HIS 16 HE1 HIS 16 -41.846 4.119 5.860 102 H MET 17 H MET 17 -45.995 -0.022 1.130 103 HA MET 17 HA MET 17 -47.738 1.328 2.897 104 1HB MET 17 1HB MET 17 -47.834 -0.815 0.991 105 2HB MET 17 2HB MET 17 -48.339 -1.520 2.513 106 1HG MET 17 1HG MET 17 -49.990 0.402 2.783 107 2HG MET 17 2HG MET 17 -49.549 0.949 1.178 108 1HE MET 17 1HE MET 17 -52.126 -0.649 -0.800 109 2HE MET 17 2HE MET 17 -52.358 0.557 0.488 110 3HE MET 17 3HE MET 17 -50.905 0.619 -0.537 111 HA PRO 18 HA PRO 18 -46.391 -2.178 5.798 112 1HB PRO 18 1HB PRO 18 -44.268 -3.764 5.133 113 2HB PRO 18 2HB PRO 18 -45.934 -4.218 4.833 114 1HG PRO 18 1HG PRO 18 -43.894 -3.276 2.912 115 2HG PRO 18 2HG PRO 18 -45.394 -4.124 2.592 116 1HD PRO 18 1HD PRO 18 -44.890 -1.325 2.216 117 2HD PRO 18 2HD PRO 18 -46.422 -2.152 2.008 118 H TYR 19 H TYR 19 -44.632 -2.585 7.473 119 HA TYR 19 HA TYR 19 -43.503 -0.133 8.073 120 1HB TYR 19 1HB TYR 19 -43.029 -3.074 8.774 121 2HB TYR 19 2HB TYR 19 -41.985 -1.858 9.482 122 HD1 TYR 19 HD1 TYR 19 -43.531 0.294 10.376 123 HD2 TYR 19 HD2 TYR 19 -44.692 -3.820 10.195 124 HE1 TYR 19 HE1 TYR 19 -45.248 0.690 12.209 125 HE2 TYR 19 HE2 TYR 19 -46.404 -3.410 12.028 126 HH TYR 19 HH TYR 19 -46.384 -0.633 13.924 127 H GLY 20 H GLY 20 -41.171 0.441 8.282 128 1HA GLY 20 1HA GLY 20 -39.306 -0.960 6.567 129 2HA GLY 20 2HA GLY 20 -39.817 0.604 5.964 130 H TYR 21 H TYR 21 -38.852 2.455 6.756 131 HA TYR 21 HA TYR 21 -36.736 2.072 8.680 132 1HB TYR 21 1HB TYR 21 -37.897 4.413 7.048 133 2HB TYR 21 2HB TYR 21 -36.472 4.585 8.053 134 HD1 TYR 21 HD1 TYR 21 -34.322 3.806 7.318 135 HD2 TYR 21 HD2 TYR 21 -37.825 2.942 5.020 136 HE1 TYR 21 HE1 TYR 21 -32.869 3.040 5.377 137 HE2 TYR 21 HE2 TYR 21 -36.361 2.179 3.087 138 HH TYR 21 HH TYR 21 -32.823 2.382 3.317 139 H ALA 22 H ALA 22 -39.162 1.536 9.952 140 HA ALA 22 HA ALA 22 -39.970 3.985 11.282 141 1HB ALA 22 1HB ALA 22 -40.944 1.220 11.985 142 2HB ALA 22 2HB ALA 22 -41.824 2.768 11.999 143 3HB ALA 22 3HB ALA 22 -41.453 1.968 10.452 144 H ALA 23 H ALA 23 -39.121 0.661 12.485 145 HA ALA 23 HA ALA 23 -37.989 1.907 14.851 146 1HB ALA 23 1HB ALA 23 -39.497 0.059 15.212 147 2HB ALA 23 2HB ALA 23 -38.611 -0.962 14.054 148 3HB ALA 23 3HB ALA 23 -37.854 -0.505 15.599 149 H GLN 24 H GLN 24 -36.821 1.858 11.934 150 HA GLN 24 HA GLN 24 -34.444 0.321 12.351 151 1HB GLN 24 1HB GLN 24 -35.800 0.924 10.108 152 2HB GLN 24 2HB GLN 24 -34.711 2.297 10.097 153 1HG GLN 24 1HG GLN 24 -33.657 0.514 8.828 154 2HG GLN 24 2HG GLN 24 -32.760 0.703 10.322 155 1HE2 GLN 24 1HE2 GLN 24 -34.766 -1.319 8.400 156 2HE2 GLN 24 2HE2 GLN 24 -34.746 -2.741 9.388 157 H ALA 25 H ALA 25 -35.534 3.210 13.572 158 HA ALA 25 HA ALA 25 -33.436 4.986 13.097 159 1HB ALA 25 1HB ALA 25 -35.773 5.363 14.129 160 2HB ALA 25 2HB ALA 25 -35.047 4.819 15.660 161 3HB ALA 25 3HB ALA 25 -34.412 6.264 14.838 162 H ARG 26 H ARG 26 -33.624 2.037 14.952 163 HA ARG 26 HA ARG 26 -31.652 2.721 16.825 164 1HB ARG 26 1HB ARG 26 -33.421 0.570 16.396 165 2HB ARG 26 2HB ARG 26 -31.841 -0.156 16.174 166 1HG ARG 26 1HG ARG 26 -31.228 0.150 18.384 167 2HG ARG 26 2HG ARG 26 -32.080 1.675 18.526 168 1HD ARG 26 1HD ARG 26 -34.206 -0.047 18.193 169 2HD ARG 26 2HD ARG 26 -33.071 -1.102 19.013 170 HE ARG 26 HE ARG 26 -34.522 1.065 20.214 171 1HH1 ARG 26 2HH2 ARG 26 -31.311 -0.431 20.279 172 2HH1 ARG 26 1HH2 ARG 26 -30.976 0.067 21.904 173 1HH2 ARG 26 1HH ARG 26 -32.618 1.331 23.107 174 H ALA 27 H ALA 27 -31.680 1.435 13.509 175 HA ALA 27 HA ALA 27 -29.033 0.426 13.541 176 1HB ALA 27 1HB ALA 27 -30.861 -0.255 11.964 177 2HB ALA 27 2HB ALA 27 -30.742 1.346 11.196 178 3HB ALA 27 3HB ALA 27 -29.359 0.227 11.139 179 H ARG 28 H ARG 28 -30.539 3.607 13.045 180 HA ARG 28 HA ARG 28 -28.444 4.793 11.704 181 1HB ARG 28 1HB ARG 28 -30.939 5.587 12.538 182 2HB ARG 28 2HB ARG 28 -29.951 6.461 13.691 183 1HG ARG 28 1HG ARG 28 -28.543 7.121 11.513 184 2HG ARG 28 2HG ARG 28 -30.034 6.726 10.681 185 1HD ARG 28 1HD ARG 28 -31.173 8.280 12.494 186 2HD ARG 28 2HD ARG 28 -29.552 8.890 12.754 187 HE ARG 28 HE ARG 28 -30.340 8.808 9.926 188 1HH1 ARG 28 2HH2 ARG 28 -30.331 10.755 12.887 189 2HH1 ARG 28 1HH2 ARG 28 -30.489 12.261 12.045 190 1HH2 ARG 28 1HH ARG 28 -30.616 12.260 9.652 191 H GLU 29 H GLU 29 -28.966 4.001 15.131 192 HA GLU 29 HA GLU 29 -26.866 5.714 16.015 193 1HB GLU 29 1HB GLU 29 -28.537 3.576 17.397 194 2HB GLU 29 2HB GLU 29 -27.279 4.473 18.225 195 1HG GLU 29 1HG GLU 29 -28.593 6.578 17.157 196 2HG GLU 29 2HG GLU 29 -29.929 5.445 17.173 197 HE2 GLU 29 HE2 GLU 29 -28.354 6.693 20.649 198 H ARG 30 H ARG 30 -27.228 2.429 14.821 199 HA ARG 30 HA ARG 30 -24.720 1.634 15.966 200 1HB ARG 30 1HB ARG 30 -27.003 0.299 14.579 201 2HB ARG 30 2HB ARG 30 -25.435 -0.399 14.225 202 1HG ARG 30 1HG ARG 30 -25.040 -0.379 16.804 203 2HG ARG 30 2HG ARG 30 -26.761 -0.076 16.946 204 1HD ARG 30 1HD ARG 30 -26.551 -2.221 15.094 205 2HD ARG 30 2HD ARG 30 -25.374 -2.586 16.340 206 HE ARG 30 HE ARG 30 -28.290 -2.509 16.657 207 1HH1 ARG 30 2HH2 ARG 30 -25.184 -2.364 18.357 208 2HH1 ARG 30 1HH2 ARG 30 -25.852 -2.861 19.876 209 1HH2 ARG 30 1HH ARG 30 -28.198 -3.325 20.031 210 H GLU 31 H GLU 31 -26.114 2.832 12.938 211 HA GLU 31 HA GLU 31 -24.234 1.915 11.161 212 1HB GLU 31 1HB GLU 31 -26.159 4.212 11.261 213 2HB GLU 31 2HB GLU 31 -24.900 4.298 10.044 214 1HG GLU 31 1HG GLU 31 -25.844 1.623 9.928 215 2HG GLU 31 2HG GLU 31 -27.286 2.600 10.117 216 HE2 GLU 31 HE2 GLU 31 -25.141 1.513 7.874 217 H ARG 32 H ARG 32 -24.041 4.410 13.642 218 HA ARG 32 HA ARG 32 -22.044 5.957 12.573 219 1HB ARG 32 1HB ARG 32 -23.492 6.090 14.837 220 2HB ARG 32 2HB ARG 32 -22.068 5.347 15.537 221 1HG ARG 32 1HG ARG 32 -21.538 7.613 15.773 222 2HG ARG 32 2HG ARG 32 -20.753 7.251 14.248 223 1HD ARG 32 1HD ARG 32 -22.501 8.278 12.965 224 2HD ARG 32 2HD ARG 32 -23.624 8.255 14.310 225 HE ARG 32 HE ARG 32 -21.464 10.207 13.859 226 1HH1 ARG 32 2HH2 ARG 32 -23.775 8.877 16.192 227 2HH1 ARG 32 1HH2 ARG 32 -23.726 10.269 17.221 228 1HH2 ARG 32 1HH ARG 32 -22.322 12.119 16.628 229 H LEU 33 H LEU 33 -21.992 2.748 14.091 230 HA LEU 33 HA LEU 33 -19.101 2.804 14.341 231 1HB LEU 33 1HB LEU 33 -21.186 1.562 15.725 232 2HB LEU 33 2HB LEU 33 -20.394 0.262 14.858 233 HG LEU 33 HG LEU 33 -18.882 2.229 16.589 234 1HD1 LEU 33 1HD1 LEU 33 -19.433 -0.507 17.608 235 2HD1 LEU 33 2HD1 LEU 33 -19.250 1.035 18.478 236 3HD1 LEU 33 3HD1 LEU 33 -20.779 0.657 17.647 237 1HD2 LEU 33 1HD2 LEU 33 -17.765 0.760 14.757 238 2HD2 LEU 33 2HD2 LEU 33 -17.042 0.844 16.381 239 3HD2 LEU 33 3HD2 LEU 33 -18.020 -0.569 15.914 240 H ALA 34 H ALA 34 -21.504 2.129 11.989 241 HA ALA 34 HA ALA 34 -20.029 0.025 10.689 242 1HB ALA 34 1HB ALA 34 -22.299 1.627 9.494 243 2HB ALA 34 2HB ALA 34 -21.871 -0.080 9.232 244 3HB ALA 34 3HB ALA 34 -22.604 0.427 10.773 245 H HIS 35 H HIS 35 -19.303 3.171 11.181 246 HA HIS 35 HA HIS 35 -18.647 3.802 8.432 247 1HB HIS 35 1HB HIS 35 -19.498 5.340 10.511 248 2HB HIS 35 2HB HIS 35 -17.767 5.585 10.628 249 HD1 HIS 35 HD1 HIS 35 -18.641 8.126 9.942 250 HD2 HIS 35 HD2 HIS 35 -18.674 5.185 6.950 251 HE1 HIS 35 HE1 HIS 35 -18.755 9.370 7.717 252 H SER 36 H SER 36 -17.313 2.107 11.081 253 HA SER 36 HA SER 36 -14.609 2.840 10.431 254 1HB SER 36 1HB SER 36 -15.732 0.845 12.448 255 2HB SER 36 2HB SER 36 -14.033 1.240 12.286 256 HG SER 36 HG SER 36 -16.021 3.278 12.761 257 H ARG 37 H ARG 37 -17.032 0.494 9.565 258 HA ARG 37 HA ARG 37 -15.075 -1.446 8.762 259 1HB ARG 37 1HB ARG 37 -17.684 -1.665 9.637 260 2HB ARG 37 2HB ARG 37 -17.926 -1.762 7.904 261 1HG ARG 37 1HG ARG 37 -15.640 -3.405 8.677 262 2HG ARG 37 2HG ARG 37 -17.034 -3.834 9.647 263 1HD ARG 37 1HD ARG 37 -18.242 -3.672 7.203 264 2HD ARG 37 2HD ARG 37 -16.625 -4.102 6.685 265 HE ARG 37 HE ARG 37 -17.073 -5.905 8.712 266 1HH1 ARG 37 2HH2 ARG 37 -18.981 -4.997 5.869 267 2HH1 ARG 37 1HH2 ARG 37 -19.724 -6.554 5.716 268 1HH2 ARG 37 1HH ARG 37 -19.163 -8.281 7.281 269 H ALA 38 H ALA 38 -15.671 1.439 7.553 270 HA ALA 38 HA ALA 38 -16.642 1.026 4.954 271 1HB ALA 38 1HB ALA 38 -16.715 3.243 5.593 272 2HB ALA 38 2HB ALA 38 -15.159 3.160 6.452 273 3HB ALA 38 3HB ALA 38 -15.191 3.254 4.675 274 H ALA 39 H ALA 39 -13.236 1.564 6.125 275 HA ALA 39 HA ALA 39 -12.225 0.589 3.614 276 1HB ALA 39 1HB ALA 39 -10.017 1.043 4.753 277 2HB ALA 39 2HB ALA 39 -11.105 2.450 4.677 278 3HB ALA 39 3HB ALA 39 -10.930 1.542 6.197 279 H ALA 40 H ALA 40 -13.515 -1.528 4.027 280 HA ALA 40 HA ALA 40 -12.226 -3.282 5.938 281 1HB ALA 40 1HB ALA 40 -14.092 -4.656 4.273 282 2HB ALA 40 2HB ALA 40 -14.298 -4.145 5.965 283 3HB ALA 40 3HB ALA 40 -14.789 -3.060 4.643 284 H ALA 41 H ALA 41 -12.992 -3.381 2.379 285 HA ALA 41 HA ALA 41 -11.824 -4.148 0.660 286 1HB ALA 41 1HB ALA 41 -9.677 -3.478 0.667 287 2HB ALA 41 2HB ALA 41 -9.870 -3.092 2.393 288 3HB ALA 41 3HB ALA 41 -9.246 -4.685 1.902 289 H ALA 42 H ALA 42 -13.460 -5.954 1.565 290 HA ALA 42 HA ALA 42 -11.894 -8.346 2.212 291 1HB ALA 42 1HB ALA 42 -14.882 -7.785 2.404 292 2HB ALA 42 2HB ALA 42 -14.064 -9.276 2.927 293 3HB ALA 42 3HB ALA 42 -13.726 -7.739 3.757 294 H ALA 43 H ALA 43 -15.024 -7.834 0.461 295 HA ALA 43 HA ALA 43 -14.719 -9.921 -1.278 296 1HB ALA 43 1HB ALA 43 -16.058 -7.286 -1.977 297 2HB ALA 43 2HB ALA 43 -16.514 -8.926 -2.497 298 3HB ALA 43 3HB ALA 43 -16.748 -8.433 -0.803 299 H VAL 44 H VAL 44 -13.042 -6.846 -1.194 300 HA VAL 44 HA VAL 44 -12.192 -7.124 -3.962 301 HB VAL 44 HB VAL 44 -12.386 -5.000 -1.964 302 1HG1 VAL 44 1HG1 VAL 44 -10.441 -3.711 -2.986 303 2HG1 VAL 44 2HG1 VAL 44 -10.015 -5.016 -1.852 304 3HG1 VAL 44 3HG1 VAL 44 -9.857 -5.274 -3.607 305 1HG2 VAL 44 1HG2 VAL 44 -12.485 -3.614 -4.072 306 2HG2 VAL 44 2HG2 VAL 44 -12.280 -5.124 -4.992 307 3HG2 VAL 44 3HG2 VAL 44 -13.709 -4.901 -3.954 308 H ALA 45 H ALA 45 -11.105 -7.628 -0.617 309 HA ALA 45 HA ALA 45 -8.402 -7.646 -0.877 310 1HB ALA 45 1HB ALA 45 -10.362 -8.575 0.949 311 2HB ALA 45 2HB ALA 45 -9.271 -9.949 0.650 312 3HB ALA 45 3HB ALA 45 -8.613 -8.400 1.229 313 H ALA 46 H ALA 46 -10.542 -10.558 -1.331 314 HA ALA 46 HA ALA 46 -8.550 -12.195 -2.334 315 1HB ALA 46 1HB ALA 46 -11.157 -12.719 -3.522 316 2HB ALA 46 2HB ALA 46 -10.261 -13.656 -2.303 317 3HB ALA 46 3HB ALA 46 -11.311 -12.312 -1.796 318 H ALA 47 H ALA 47 -11.046 -10.272 -4.155 319 HA ALA 47 HA ALA 47 -9.983 -10.852 -6.672 320 1HB ALA 47 1HB ALA 47 -11.359 -8.854 -7.355 321 2HB ALA 47 2HB ALA 47 -12.251 -10.053 -6.388 322 3HB ALA 47 3HB ALA 47 -11.676 -8.548 -5.630 323 H THR 48 H THR 48 -9.526 -8.466 -8.005 324 HA THR 48 HA THR 48 -7.898 -7.042 -8.516 325 HB THR 48 HB THR 48 -7.938 -6.733 -5.473 326 HG1 THR 48 HG1 THR 48 -8.957 -5.388 -7.871 327 1HG2 THR 48 1HG2 THR 48 -6.316 -5.345 -7.611 328 2HG2 THR 48 2HG2 THR 48 -7.060 -4.336 -6.348 329 3HG2 THR 48 3HG2 THR 48 -5.916 -5.623 -5.899 330 H ALA 49 H ALA 49 -6.672 -8.776 -9.454 331 HA ALA 49 HA ALA 49 -4.938 -10.424 -8.157 332 1HB ALA 49 1HB ALA 49 -4.637 -11.006 -10.303 333 2HB ALA 49 2HB ALA 49 -5.452 -9.514 -10.829 334 3HB ALA 49 3HB ALA 49 -3.691 -9.523 -10.573 335 H ALA 50 H ALA 50 -2.925 -10.274 -7.202 336 HA ALA 50 HA ALA 50 -2.015 -7.590 -6.647 337 1HB ALA 50 1HB ALA 50 -2.223 -9.409 -4.914 338 2HB ALA 50 2HB ALA 50 -0.898 -10.270 -5.735 339 3HB ALA 50 3HB ALA 50 -0.604 -8.673 -5.005 340 H VAL 51 H VAL 51 -1.795 -7.899 -9.340 341 HA VAL 51 HA VAL 51 1.072 -7.864 -9.665 342 HB VAL 51 HB VAL 51 -0.681 -9.770 -11.229 343 1HG1 VAL 51 1HG1 VAL 51 2.236 -8.999 -11.520 344 2HG1 VAL 51 2HG1 VAL 51 1.542 -10.480 -12.224 345 3HG1 VAL 51 3HG1 VAL 51 0.940 -8.884 -12.735 346 1HG2 VAL 51 1HG2 VAL 51 1.492 -10.249 -9.167 347 2HG2 VAL 51 2HG2 VAL 51 -0.225 -10.709 -9.067 348 3HG2 VAL 51 3HG2 VAL 51 0.844 -11.510 -10.243 349 H GLU 52 H GLU 52 -0.043 -5.581 -9.680 350 HA GLU 52 HA GLU 52 -1.657 -4.817 -11.743 351 1HB GLU 52 1HB GLU 52 -0.596 -3.557 -9.608 352 2HB GLU 52 2HB GLU 52 0.491 -2.923 -10.827 353 1HG GLU 52 1HG GLU 52 -1.168 -1.700 -11.884 354 2HG GLU 52 2HG GLU 52 -2.412 -2.889 -11.552 355 HE2 GLU 52 HE2 GLU 52 -3.571 -0.784 -9.085 356 H GLY 53 H GLY 53 -0.928 -3.190 -13.568 357 1HA GLY 53 1HA GLY 53 1.682 -3.768 -14.698 358 2HA GLY 53 2HA GLY 53 0.323 -4.436 -15.581 359 H THR 54 H THR 54 1.627 -1.363 -14.191 360 HA THR 54 HA THR 54 -0.063 0.143 -16.045 361 HB THR 54 HB THR 54 0.367 1.993 -14.570 362 HG1 THR 54 HG1 THR 54 2.422 0.253 -13.411 363 1HG2 THR 54 1HG2 THR 54 0.484 -0.537 -12.843 364 2HG2 THR 54 2HG2 THR 54 0.115 1.097 -12.241 365 3HG2 THR 54 3HG2 THR 54 -1.003 0.289 -13.367 366 H GLY 55 H GLY 55 1.194 2.268 -16.839 367 1HA GLY 55 1HA GLY 55 3.761 1.347 -17.982 368 2HA GLY 55 2HA GLY 55 2.514 2.086 -18.966 369 H GLY 56 H GLY 56 5.380 2.721 -17.406 370 1HA GLY 56 1HA GLY 56 4.646 5.542 -16.887 371 2HA GLY 56 2HA GLY 56 5.878 4.659 -16.009 372 H SER 57 H SER 57 7.318 6.481 -16.701 373 HA SER 57 HA SER 57 7.838 7.077 -19.312 374 1HB SER 57 1HB SER 57 9.062 7.538 -16.713 375 2HB SER 57 2HB SER 57 10.313 7.252 -17.907 376 HG SER 57 HG SER 57 8.348 9.333 -17.805 377 H GLY 58 H GLY 58 9.611 6.430 -20.768 378 1HA GLY 58 1HA GLY 58 10.707 3.750 -20.169 379 2HA GLY 58 2HA GLY 58 9.958 4.122 -21.709 380 H GLY 59 H GLY 59 12.136 3.485 -22.591 381 1HA GLY 59 1HA GLY 59 14.463 4.965 -22.033 382 2HA GLY 59 2HA GLY 59 14.153 3.982 -23.451 383 H GLY 60 H GLY 60 15.610 6.398 -23.628 384 1HA GLY 60 1HA GLY 60 13.697 8.109 -25.101 385 2HA GLY 60 2HA GLY 60 14.982 8.761 -24.103 386 HA PRO 61 HA PRO 61 16.848 8.441 -28.166 387 1HB PRO 61 1HB PRO 61 18.203 10.812 -28.083 388 2HB PRO 61 2HB PRO 61 16.588 10.654 -28.746 389 1HG PRO 61 1HG PRO 61 17.425 11.820 -26.162 390 2HG PRO 61 2HG PRO 61 15.912 12.028 -27.021 391 1HD PRO 61 1HD PRO 61 16.367 10.372 -24.724 392 2HD PRO 61 2HD PRO 61 14.886 10.491 -25.653 393 H HIS 62 H HIS 62 19.262 8.770 -28.910 394 HA HIS 62 HA HIS 62 20.903 7.959 -26.634 395 1HB HIS 62 1HB HIS 62 21.875 6.150 -27.832 396 2HB HIS 62 2HB HIS 62 20.135 5.956 -27.904 397 HD1 HIS 62 HD1 HIS 62 22.726 5.217 -29.994 398 HD2 HIS 62 HD2 HIS 62 19.393 7.704 -30.544 399 HE1 HIS 62 HE1 HIS 62 22.392 5.418 -32.516 400 H HIS 63 H HIS 63 23.007 8.781 -26.644 401 HA HIS 63 HA HIS 63 23.527 11.132 -27.783 402 1HB HIS 63 1HB HIS 63 25.565 10.920 -26.861 403 2HB HIS 63 2HB HIS 63 24.892 9.452 -26.179 404 HD1 HIS 63 HD1 HIS 63 27.934 10.377 -27.445 405 HD2 HIS 63 HD2 HIS 63 25.287 7.334 -28.596 406 HE1 HIS 63 HE1 HIS 63 29.332 8.650 -28.700 407 H HIS 64 H HIS 64 24.770 11.905 -29.631 408 HA HIS 64 HA HIS 64 25.462 10.093 -31.696 409 1HB HIS 64 1HB HIS 64 23.064 10.024 -32.047 410 2HB HIS 64 2HB HIS 64 22.967 11.773 -32.052 411 HD1 HIS 64 HD1 HIS 64 21.940 11.694 -34.472 412 HD2 HIS 64 HD2 HIS 64 25.844 10.190 -34.172 413 HE1 HIS 64 HE1 HIS 64 22.818 11.503 -36.860 414 H HIS 65 H HIS 65 27.129 11.002 -32.820 415 HA HIS 65 HA HIS 65 27.354 13.420 -33.872 416 1HB HIS 65 1HB HIS 65 27.528 13.668 -30.953 417 2HB HIS 65 2HB HIS 65 28.909 14.359 -31.782 418 HD1 HIS 65 HD1 HIS 65 28.047 15.969 -33.993 419 HD2 HIS 65 HD2 HIS 65 25.514 15.478 -30.685 420 HE1 HIS 65 HE1 HIS 65 26.388 17.907 -34.069 421 H GLN 66 H GLN 66 29.734 14.097 -34.244 422 HA GLN 66 HA GLN 66 31.577 11.982 -33.603 423 1HB GLN 66 1HB GLN 66 30.344 11.458 -35.834 424 2HB GLN 66 2HB GLN 66 31.250 12.796 -36.512 425 1HG GLN 66 1HG GLN 66 33.289 11.684 -36.371 426 2HG GLN 66 2HG GLN 66 32.828 10.783 -34.941 427 1HE2 GLN 66 1HE2 GLN 66 33.461 8.824 -35.731 428 2HE2 GLN 66 2HE2 GLN 66 32.637 7.970 -36.993 429 H THR 67 H THR 67 33.850 12.630 -34.738 430 HA THR 67 HA THR 67 34.589 15.071 -33.614 431 HB THR 67 HB THR 67 36.065 13.671 -35.881 432 HG1 THR 67 HG1 THR 67 35.711 12.961 -33.053 433 1HG2 THR 67 1HG2 THR 67 37.025 14.667 -33.154 434 2HG2 THR 67 2HG2 THR 67 38.028 14.180 -34.542 435 3HG2 THR 67 3HG2 THR 67 37.072 15.680 -34.617 436 H ARG 68 H ARG 68 35.573 16.963 -34.744 437 HA ARG 68 HA ARG 68 33.652 18.130 -36.325 438 1HB ARG 68 1HB ARG 68 36.547 18.786 -35.685 439 2HB ARG 68 2HB ARG 68 35.678 19.776 -36.841 440 1HG ARG 68 1HG ARG 68 34.388 20.760 -35.224 441 2HG ARG 68 2HG ARG 68 34.120 19.248 -34.379 442 1HD ARG 68 1HD ARG 68 36.887 19.839 -34.018 443 2HD ARG 68 2HD ARG 68 36.050 21.361 -33.788 444 HE ARG 68 HE ARG 68 35.806 18.949 -32.109 445 1HH1 ARG 68 2HH2 ARG 68 34.431 22.108 -32.933 446 2HH1 ARG 68 1HH2 ARG 68 33.565 22.260 -31.440 447 1HH2 ARG 68 1HH ARG 68 33.717 20.507 -29.812 448 H GLY 69 H GLY 69 34.247 19.192 -38.592 449 1HA GLY 69 1HA GLY 69 34.500 17.172 -40.486 450 2HA GLY 69 2HA GLY 69 34.660 18.892 -40.779 451 H ALA 70 H ALA 70 36.727 19.865 -40.941 452 HA ALA 70 HA ALA 70 39.027 18.144 -40.451 453 1HB ALA 70 1HB ALA 70 39.893 18.940 -42.757 454 2HB ALA 70 2HB ALA 70 38.676 17.642 -42.735 455 3HB ALA 70 3HB ALA 70 38.190 19.311 -43.118 456 H TYR 71 H TYR 71 40.939 19.322 -39.975 457 HA TYR 71 HA TYR 71 40.555 22.234 -39.834 458 1HB TYR 71 1HB TYR 71 40.749 20.265 -37.762 459 2HB TYR 71 2HB TYR 71 42.355 20.962 -37.843 460 HD1 TYR 71 HD1 TYR 71 38.775 22.103 -37.778 461 HD2 TYR 71 HD2 TYR 71 42.799 22.803 -36.503 462 HE1 TYR 71 HE1 TYR 71 37.996 24.077 -36.378 463 HE2 TYR 71 HE2 TYR 71 42.006 24.774 -35.107 464 HH TYR 71 HH TYR 71 40.116 26.354 -35.138 465 H SER 72 H SER 72 41.892 23.006 -41.420 466 HA SER 72 HA SER 72 44.669 22.521 -41.069 467 1HB SER 72 1HB SER 72 43.156 21.151 -43.219 468 2HB SER 72 2HB SER 72 44.545 22.044 -43.804 469 HG SER 72 HG SER 72 45.222 19.935 -43.256 470 H SER 73 H SER 73 45.975 24.106 -42.281 471 HA SER 73 HA SER 73 46.383 26.051 -43.150 472 1HB SER 73 1HB SER 73 44.761 24.981 -44.993 473 2HB SER 73 2HB SER 73 43.693 26.277 -44.493 474 HG SER 73 HG SER 73 44.884 27.221 -46.094 475 H HIS 74 H HIS 74 46.145 28.283 -42.578 476 HA HIS 74 HA HIS 74 45.447 30.001 -41.407 477 1HB HIS 74 1HB HIS 74 43.364 29.529 -42.883 478 2HB HIS 74 2HB HIS 74 42.629 28.934 -41.408 479 HD1 HIS 74 HD1 HIS 74 42.169 31.720 -43.230 480 HD2 HIS 74 HD2 HIS 74 43.631 31.290 -39.322 481 HE1 HIS 74 HE1 HIS 74 41.777 33.958 -42.070 482 H ASP 75 H ASP 75 45.697 30.460 -39.256 483 HA ASP 75 HA ASP 75 45.770 30.202 -37.104 484 1HB ASP 75 1HB ASP 75 43.285 29.839 -37.298 485 2HB ASP 75 2HB ASP 75 43.565 28.117 -37.459 486 HD2 ASP 75 HD2 ASP 75 42.511 28.280 -34.327 Start of MODEL 5 1 H MET 1 H MET 1 -32.649 -13.809 15.394 2 HA MET 1 HA MET 1 -33.548 -11.507 14.421 3 1HB MET 1 1HB MET 1 -34.623 -13.221 16.719 4 2HB MET 1 2HB MET 1 -35.569 -11.917 16.029 5 1HG MET 1 1HG MET 1 -36.312 -13.475 14.531 6 2HG MET 1 2HG MET 1 -34.758 -13.275 13.745 7 1HE MET 1 1HE MET 1 -36.764 -15.237 16.450 8 2HE MET 1 2HE MET 1 -37.125 -15.790 14.797 9 3HE MET 1 3HE MET 1 -36.323 -16.886 15.947 10 H GLU 2 H GLU 2 -34.483 -9.511 15.370 11 HA GLU 2 HA GLU 2 -32.662 -8.343 17.146 12 1HB GLU 2 1HB GLU 2 -34.420 -6.432 17.091 13 2HB GLU 2 2HB GLU 2 -33.638 -6.867 15.584 14 1HG GLU 2 1HG GLU 2 -35.575 -7.684 14.658 15 2HG GLU 2 2HG GLU 2 -36.086 -8.452 16.148 16 HE2 GLU 2 HE2 GLU 2 -37.872 -7.175 14.776 17 H VAL 3 H VAL 3 -33.011 -10.195 18.817 18 HA VAL 3 HA VAL 3 -33.840 -10.948 20.731 19 HB VAL 3 HB VAL 3 -32.947 -8.639 21.257 20 1HG1 VAL 3 1HG1 VAL 3 -35.873 -8.013 20.962 21 2HG1 VAL 3 2HG1 VAL 3 -34.894 -7.122 22.152 22 3HG1 VAL 3 3HG1 VAL 3 -34.451 -7.085 20.429 23 1HG2 VAL 3 1HG2 VAL 3 -34.051 -10.547 22.855 24 2HG2 VAL 3 2HG2 VAL 3 -33.260 -9.069 23.454 25 3HG2 VAL 3 3HG2 VAL 3 -35.032 -9.130 23.299 26 H ALA 4 H ALA 4 -35.947 -10.715 22.326 27 HA ALA 4 HA ALA 4 -38.067 -11.679 20.770 28 1HB ALA 4 1HB ALA 4 -37.462 -12.130 23.232 29 2HB ALA 4 2HB ALA 4 -38.275 -10.588 23.593 30 3HB ALA 4 3HB ALA 4 -39.189 -11.923 22.851 31 H MET 5 H MET 5 -40.304 -10.739 20.684 32 HA MET 5 HA MET 5 -40.233 -8.258 19.506 33 1HB MET 5 1HB MET 5 -42.033 -10.287 19.641 34 2HB MET 5 2HB MET 5 -42.760 -9.251 20.853 35 1HG MET 5 1HG MET 5 -43.540 -7.786 19.284 36 2HG MET 5 2HG MET 5 -41.994 -7.718 18.460 37 1HE MET 5 1HE MET 5 -45.523 -10.475 17.769 38 2HE MET 5 2HE MET 5 -44.348 -11.173 18.909 39 3HE MET 5 3HE MET 5 -45.078 -9.585 19.245 40 H VAL 6 H VAL 6 -41.578 -6.283 20.209 41 HA VAL 6 HA VAL 6 -40.739 -5.601 22.891 42 HB VAL 6 HB VAL 6 -42.228 -3.818 20.988 43 1HG1 VAL 6 1HG1 VAL 6 -40.871 -3.510 23.496 44 2HG1 VAL 6 2HG1 VAL 6 -40.011 -2.565 22.256 45 3HG1 VAL 6 3HG1 VAL 6 -41.747 -2.291 22.538 46 1HG2 VAL 6 1HG2 VAL 6 -40.630 -4.617 19.485 47 2HG2 VAL 6 2HG2 VAL 6 -39.848 -3.174 20.173 48 3HG2 VAL 6 3HG2 VAL 6 -39.386 -4.795 20.745 49 H SER 7 H SER 7 -42.269 -4.527 24.415 50 HA SER 7 HA SER 7 -44.468 -6.146 24.828 51 1HB SER 7 1HB SER 7 -43.566 -3.486 25.964 52 2HB SER 7 2HB SER 7 -45.109 -4.163 26.447 53 HG SER 7 HG SER 7 -43.474 -6.210 26.687 54 H ALA 8 H ALA 8 -46.684 -5.926 24.352 55 HA ALA 8 HA ALA 8 -47.297 -4.078 22.234 56 1HB ALA 8 1HB ALA 8 -48.021 -6.589 22.594 57 2HB ALA 8 2HB ALA 8 -49.301 -5.869 23.600 58 3HB ALA 8 3HB ALA 8 -49.165 -5.426 21.881 59 H GLU 9 H GLU 9 -47.376 -1.968 22.993 60 HA GLU 9 HA GLU 9 -48.342 -1.266 25.477 61 1HB GLU 9 1HB GLU 9 -47.250 0.038 23.205 62 2HB GLU 9 2HB GLU 9 -48.786 0.831 23.495 63 1HG GLU 9 1HG GLU 9 -47.721 0.551 26.076 64 2HG GLU 9 2HG GLU 9 -46.308 0.902 25.101 65 HE2 GLU 9 HE2 GLU 9 -48.519 2.876 26.779 66 H SER 10 H SER 10 -50.338 0.179 25.875 67 HA SER 10 HA SER 10 -52.570 -1.158 24.608 68 1HB SER 10 1HB SER 10 -53.897 -0.306 26.495 69 2HB SER 10 2HB SER 10 -52.470 -1.135 27.084 70 HG SER 10 HG SER 10 -52.428 1.712 26.658 71 H SER 11 H SER 11 -53.505 -0.141 22.875 72 HA SER 11 HA SER 11 -54.351 1.408 21.610 73 1HB SER 11 1HB SER 11 -55.074 2.290 24.070 74 2HB SER 11 2HB SER 11 -54.071 3.645 23.591 75 HG SER 11 HG SER 11 -55.482 3.332 21.452 76 H GLY 12 H GLY 12 -53.696 3.255 20.217 77 1HA GLY 12 1HA GLY 12 -52.150 5.016 19.765 78 2HA GLY 12 2HA GLY 12 -50.933 4.174 20.704 79 H CYS 13 H CYS 13 -52.056 4.807 17.568 80 HA CYS 13 HA CYS 13 -51.722 3.918 15.577 81 1HB CYS 13 1HB CYS 13 -49.149 3.744 17.010 82 2HB CYS 13 2HB CYS 13 -49.255 2.697 15.609 83 HG CYS 13 HG CYS 13 -48.120 4.952 14.917 84 H ASN 14 H ASN 14 -53.495 2.333 16.822 85 HA ASN 14 HA ASN 14 -52.421 -0.361 16.697 86 1HB ASN 14 1HB ASN 14 -54.436 0.985 18.335 87 2HB ASN 14 2HB ASN 14 -55.165 -0.389 17.527 88 1HD2 ASN 14 1HD2 ASN 14 -54.574 -2.445 18.023 89 2HD2 ASN 14 2HD2 ASN 14 -53.538 -2.878 19.342 90 H SER 15 H SER 15 -53.134 1.488 14.363 91 HA SER 15 HA SER 15 -55.173 -0.241 13.197 92 1HB SER 15 1HB SER 15 -54.847 2.770 12.999 93 2HB SER 15 2HB SER 15 -55.692 1.879 11.748 94 HG SER 15 HG SER 15 -56.965 0.936 13.672 95 H HIS 16 H HIS 16 -52.986 -1.397 12.701 96 HA HIS 16 HA HIS 16 -51.343 -1.911 11.331 97 1HB HIS 16 1HB HIS 16 -53.132 -2.323 9.800 98 2HB HIS 16 2HB HIS 16 -53.275 -0.625 9.393 99 HD1 HIS 16 HD1 HIS 16 -52.753 -0.785 6.907 100 HD2 HIS 16 HD2 HIS 16 -49.808 -2.547 9.319 101 HE1 HIS 16 HE1 HIS 16 -50.801 -1.341 5.361 102 H MET 17 H MET 17 -49.827 -0.509 12.465 103 HA MET 17 HA MET 17 -49.408 2.077 11.273 104 1HB MET 17 1HB MET 17 -47.754 2.330 13.135 105 2HB MET 17 2HB MET 17 -49.298 1.776 13.754 106 1HG MET 17 1HG MET 17 -48.509 -0.494 13.994 107 2HG MET 17 2HG MET 17 -47.091 -0.189 13.011 108 1HE MET 17 1HE MET 17 -46.661 -0.633 17.149 109 2HE MET 17 2HE MET 17 -48.360 -0.355 16.695 110 3HE MET 17 3HE MET 17 -47.374 -1.523 15.782 111 HA PRO 18 HA PRO 18 -46.038 0.831 8.840 112 1HB PRO 18 1HB PRO 18 -44.577 3.134 8.658 113 2HB PRO 18 2HB PRO 18 -46.012 2.830 7.699 114 1HG PRO 18 1HG PRO 18 -45.691 4.600 10.045 115 2HG PRO 18 2HG PRO 18 -46.959 4.600 8.835 116 1HD PRO 18 1HD PRO 18 -47.136 3.570 11.506 117 2HD PRO 18 2HD PRO 18 -48.363 3.467 10.259 118 H TYR 19 H TYR 19 -45.382 -0.750 10.470 119 HA TYR 19 HA TYR 19 -43.176 0.171 12.112 120 1HB TYR 19 1HB TYR 19 -45.228 -1.562 12.508 121 2HB TYR 19 2HB TYR 19 -44.157 -2.693 11.706 122 HD1 TYR 19 HD1 TYR 19 -42.897 -4.048 13.094 123 HD2 TYR 19 HD2 TYR 19 -43.906 -0.111 14.430 124 HE1 TYR 19 HE1 TYR 19 -41.717 -4.487 15.303 125 HE2 TYR 19 HE2 TYR 19 -42.723 -0.563 16.634 126 HH TYR 19 HH TYR 19 -40.567 -2.590 17.137 127 H GLY 20 H GLY 20 -41.532 0.650 10.554 128 1HA GLY 20 1HA GLY 20 -40.081 -1.701 9.688 129 2HA GLY 20 2HA GLY 20 -40.719 -0.717 8.385 130 H TYR 21 H TYR 21 -39.614 1.115 7.750 131 HA TYR 21 HA TYR 21 -37.031 1.550 8.651 132 1HB TYR 21 1HB TYR 21 -37.325 3.638 7.260 133 2HB TYR 21 2HB TYR 21 -38.047 2.258 6.455 134 HD1 TYR 21 HD1 TYR 21 -40.374 2.202 5.948 135 HD2 TYR 21 HD2 TYR 21 -38.821 5.270 8.493 136 HE1 TYR 21 HE1 TYR 21 -42.584 3.451 5.803 137 HE2 TYR 21 HE2 TYR 21 -41.036 6.509 8.340 138 HH TYR 21 HH TYR 21 -42.916 6.676 7.041 139 H ALA 22 H ALA 22 -40.050 2.425 10.113 140 HA ALA 22 HA ALA 22 -39.187 4.826 11.353 141 1HB ALA 22 1HB ALA 22 -41.225 4.007 12.905 142 2HB ALA 22 2HB ALA 22 -41.482 4.707 11.289 143 3HB ALA 22 3HB ALA 22 -41.507 2.941 11.508 144 H ALA 23 H ALA 23 -39.199 1.333 12.224 145 HA ALA 23 HA ALA 23 -38.035 1.963 14.808 146 1HB ALA 23 1HB ALA 23 -38.173 -0.860 14.095 147 2HB ALA 23 2HB ALA 23 -38.988 0.017 15.413 148 3HB ALA 23 3HB ALA 23 -39.727 -0.044 13.794 149 H GLN 24 H GLN 24 -36.826 2.171 11.842 150 HA GLN 24 HA GLN 24 -34.555 0.444 12.228 151 1HB GLN 24 1HB GLN 24 -35.580 2.175 9.973 152 2HB GLN 24 2HB GLN 24 -33.899 1.678 9.967 153 1HG GLN 24 1HG GLN 24 -36.149 -0.335 10.361 154 2HG GLN 24 2HG GLN 24 -35.618 0.140 8.760 155 1HE2 GLN 24 1HE2 GLN 24 -35.370 -2.230 10.854 156 2HE2 GLN 24 2HE2 GLN 24 -33.752 -2.800 10.611 157 H ALA 25 H ALA 25 -35.513 3.387 13.435 158 HA ALA 25 HA ALA 25 -33.329 5.058 12.968 159 1HB ALA 25 1HB ALA 25 -35.032 6.247 13.910 160 2HB ALA 25 2HB ALA 25 -35.613 4.859 14.861 161 3HB ALA 25 3HB ALA 25 -34.221 5.809 15.433 162 H ARG 26 H ARG 26 -33.668 2.126 14.827 163 HA ARG 26 HA ARG 26 -31.679 2.721 16.713 164 1HB ARG 26 1HB ARG 26 -33.557 0.685 16.331 165 2HB ARG 26 2HB ARG 26 -32.046 -0.145 16.019 166 1HG ARG 26 1HG ARG 26 -31.825 -0.343 18.272 167 2HG ARG 26 2HG ARG 26 -31.452 1.369 18.296 168 1HD ARG 26 1HD ARG 26 -33.512 1.946 19.154 169 2HD ARG 26 2HD ARG 26 -34.367 0.765 18.182 170 HE ARG 26 HE ARG 26 -32.707 -0.388 20.326 171 1HH1 ARG 26 2HH2 ARG 26 -35.925 0.778 19.412 172 2HH1 ARG 26 1HH2 ARG 26 -36.735 -0.100 20.666 173 1HH2 ARG 26 1HH ARG 26 -35.452 -1.459 22.165 174 H ALA 27 H ALA 27 -31.745 1.427 13.400 175 HA ALA 27 HA ALA 27 -29.149 0.295 13.451 176 1HB ALA 27 1HB ALA 27 -29.518 0.553 10.877 177 2HB ALA 27 2HB ALA 27 -30.586 -0.538 11.793 178 3HB ALA 27 3HB ALA 27 -31.155 1.085 11.332 179 H ARG 28 H ARG 28 -30.500 3.543 12.937 180 HA ARG 28 HA ARG 28 -28.342 4.627 11.610 181 1HB ARG 28 1HB ARG 28 -30.761 5.574 12.236 182 2HB ARG 28 2HB ARG 28 -29.930 6.244 13.625 183 1HG ARG 28 1HG ARG 28 -29.263 7.970 12.315 184 2HG ARG 28 2HG ARG 28 -28.234 6.849 11.446 185 1HD ARG 28 1HD ARG 28 -30.454 6.252 10.116 186 2HD ARG 28 2HD ARG 28 -31.027 7.790 10.730 187 HE ARG 28 HE ARG 28 -29.594 8.883 9.242 188 1HH1 ARG 28 2HH2 ARG 28 -28.471 5.546 9.638 189 2HH1 ARG 28 1HH2 ARG 28 -27.254 5.679 8.413 190 1HH2 ARG 28 1HH ARG 28 -26.987 7.754 7.243 191 H GLU 29 H GLU 29 -28.924 3.867 15.034 192 HA GLU 29 HA GLU 29 -26.751 5.480 15.931 193 1HB GLU 29 1HB GLU 29 -29.005 4.513 17.141 194 2HB GLU 29 2HB GLU 29 -27.840 3.326 17.692 195 1HG GLU 29 1HG GLU 29 -26.829 4.809 19.100 196 2HG GLU 29 2HG GLU 29 -26.760 6.058 17.873 197 HE2 GLU 29 HE2 GLU 29 -29.859 6.316 17.678 198 H ARG 30 H ARG 30 -27.259 2.214 14.738 199 HA ARG 30 HA ARG 30 -24.799 1.303 15.901 200 1HB ARG 30 1HB ARG 30 -27.133 0.075 14.499 201 2HB ARG 30 2HB ARG 30 -25.597 -0.697 14.157 202 1HG ARG 30 1HG ARG 30 -26.172 -1.865 16.078 203 2HG ARG 30 2HG ARG 30 -25.292 -0.541 16.814 204 1HD ARG 30 1HD ARG 30 -27.400 0.677 17.250 205 2HD ARG 30 2HD ARG 30 -28.320 -0.546 16.396 206 HE ARG 30 HE ARG 30 -28.251 -1.875 18.312 207 1HH1 ARG 30 2HH2 ARG 30 -25.598 0.468 18.487 208 2HH1 ARG 30 1HH2 ARG 30 -25.125 -0.001 20.086 209 1HH2 ARG 30 1HH ARG 30 -26.331 -1.744 21.204 210 H GLU 31 H GLU 31 -26.115 2.562 12.862 211 HA GLU 31 HA GLU 31 -24.144 1.563 11.168 212 1HB GLU 31 1HB GLU 31 -26.455 2.691 10.653 213 2HB GLU 31 2HB GLU 31 -25.570 4.202 10.722 214 1HG GLU 31 1HG GLU 31 -24.375 2.001 9.056 215 2HG GLU 31 2HG GLU 31 -25.826 2.764 8.437 216 HE2 GLU 31 HE2 GLU 31 -22.317 4.561 8.556 217 H ARG 32 H ARG 32 -24.182 4.157 13.531 218 HA ARG 32 HA ARG 32 -22.290 5.814 12.438 219 1HB ARG 32 1HB ARG 32 -23.783 5.906 14.678 220 2HB ARG 32 2HB ARG 32 -22.311 5.310 15.420 221 1HG ARG 32 1HG ARG 32 -22.265 7.724 13.569 222 2HG ARG 32 2HG ARG 32 -22.660 7.898 15.267 223 1HD ARG 32 1HD ARG 32 -20.427 6.474 15.625 224 2HD ARG 32 2HD ARG 32 -20.044 7.038 14.011 225 HE ARG 32 HE ARG 32 -20.952 9.223 15.695 226 1HH1 ARG 32 2HH2 ARG 32 -18.127 7.212 14.969 227 2HH1 ARG 32 1HH2 ARG 32 -16.987 8.403 15.499 228 1HH2 ARG 32 1HH ARG 32 -17.787 10.503 16.333 229 H LEU 33 H LEU 33 -22.025 2.667 14.054 230 HA LEU 33 HA LEU 33 -19.152 2.949 14.358 231 1HB LEU 33 1HB LEU 33 -21.167 1.590 15.736 232 2HB LEU 33 2HB LEU 33 -20.260 0.331 14.921 233 HG LEU 33 HG LEU 33 -19.423 0.706 17.176 234 1HD1 LEU 33 1HD1 LEU 33 -17.053 1.767 15.989 235 2HD1 LEU 33 2HD1 LEU 33 -17.440 0.082 16.411 236 3HD1 LEU 33 3HD1 LEU 33 -17.860 0.716 14.801 237 1HD2 LEU 33 1HD2 LEU 33 -18.520 3.471 16.379 238 2HD2 LEU 33 2HD2 LEU 33 -20.090 3.179 17.164 239 3HD2 LEU 33 3HD2 LEU 33 -18.581 2.732 17.997 240 H ALA 34 H ALA 34 -21.447 2.030 11.979 241 HA ALA 34 HA ALA 34 -19.789 0.010 10.768 242 1HB ALA 34 1HB ALA 34 -22.142 -0.294 10.556 243 2HB ALA 34 2HB ALA 34 -22.393 1.393 10.048 244 3HB ALA 34 3HB ALA 34 -21.588 0.244 8.953 245 H HIS 35 H HIS 35 -19.314 3.214 11.185 246 HA HIS 35 HA HIS 35 -18.649 3.818 8.432 247 1HB HIS 35 1HB HIS 35 -19.759 5.556 9.653 248 2HB HIS 35 2HB HIS 35 -18.627 5.439 10.986 249 HD1 HIS 35 HD1 HIS 35 -18.497 6.277 7.240 250 HD2 HIS 35 HD2 HIS 35 -16.627 7.291 10.855 251 HE1 HIS 35 HE1 HIS 35 -16.843 8.141 6.691 252 H SER 36 H SER 36 -17.247 2.303 11.154 253 HA SER 36 HA SER 36 -14.593 3.222 10.535 254 1HB SER 36 1HB SER 36 -15.794 2.443 12.882 255 2HB SER 36 2HB SER 36 -14.975 0.959 12.440 256 HG SER 36 HG SER 36 -13.067 1.843 12.887 257 H ARG 37 H ARG 37 -16.813 0.676 9.690 258 HA ARG 37 HA ARG 37 -14.699 -1.132 8.983 259 1HB ARG 37 1HB ARG 37 -17.303 -1.523 9.810 260 2HB ARG 37 2HB ARG 37 -17.498 -1.684 8.076 261 1HG ARG 37 1HG ARG 37 -16.863 -3.855 8.422 262 2HG ARG 37 2HG ARG 37 -15.237 -3.202 8.450 263 1HD ARG 37 1HD ARG 37 -15.253 -3.055 10.890 264 2HD ARG 37 2HD ARG 37 -16.962 -3.435 10.958 265 HE ARG 37 HE ARG 37 -15.910 -5.618 9.632 266 1HH1 ARG 37 2HH2 ARG 37 -15.099 -4.026 12.691 267 2HH1 ARG 37 1HH2 ARG 37 -14.512 -5.477 13.433 268 1HH2 ARG 37 1HH ARG 37 -14.543 -7.526 12.191 269 H ALA 38 H ALA 38 -15.480 1.667 7.680 270 HA ALA 38 HA ALA 38 -16.289 1.018 5.040 271 1HB ALA 38 1HB ALA 38 -15.991 3.348 4.627 272 2HB ALA 38 2HB ALA 38 -16.554 3.228 6.311 273 3HB ALA 38 3HB ALA 38 -14.831 3.515 5.967 274 H ALA 39 H ALA 39 -13.124 2.208 6.394 275 HA ALA 39 HA ALA 39 -11.654 1.840 4.097 276 1HB ALA 39 1HB ALA 39 -9.713 1.865 5.615 277 2HB ALA 39 2HB ALA 39 -10.918 3.078 6.109 278 3HB ALA 39 3HB ALA 39 -10.782 1.543 7.000 279 H ALA 40 H ALA 40 -11.943 -0.427 6.931 280 HA ALA 40 HA ALA 40 -10.480 -2.493 5.999 281 1HB ALA 40 1HB ALA 40 -11.266 -3.242 7.965 282 2HB ALA 40 2HB ALA 40 -12.584 -2.046 7.933 283 3HB ALA 40 3HB ALA 40 -12.805 -3.634 7.161 284 H ALA 41 H ALA 41 -14.082 -2.246 5.527 285 HA ALA 41 HA ALA 41 -15.397 -2.957 3.896 286 1HB ALA 41 1HB ALA 41 -12.929 -2.974 2.119 287 2HB ALA 41 2HB ALA 41 -14.627 -2.792 1.619 288 3HB ALA 41 3HB ALA 41 -13.828 -1.498 2.543 289 H ALA 42 H ALA 42 -14.693 -4.884 5.676 290 HA ALA 42 HA ALA 42 -13.529 -7.142 4.356 291 1HB ALA 42 1HB ALA 42 -13.396 -7.963 6.465 292 2HB ALA 42 2HB ALA 42 -13.858 -6.320 6.970 293 3HB ALA 42 3HB ALA 42 -15.099 -7.586 6.818 294 H ALA 43 H ALA 43 -16.822 -6.489 5.769 295 HA ALA 43 HA ALA 43 -18.096 -8.675 4.769 296 1HB ALA 43 1HB ALA 43 -19.825 -6.372 4.574 297 2HB ALA 43 2HB ALA 43 -19.784 -7.638 5.825 298 3HB ALA 43 3HB ALA 43 -18.761 -6.191 5.990 299 H VAL 44 H VAL 44 -16.817 -5.895 3.042 300 HA VAL 44 HA VAL 44 -18.361 -6.596 0.668 301 HB VAL 44 HB VAL 44 -17.076 -4.208 1.753 302 1HG1 VAL 44 1HG1 VAL 44 -16.586 -3.283 -0.571 303 2HG1 VAL 44 2HG1 VAL 44 -15.410 -4.449 0.082 304 3HG1 VAL 44 3HG1 VAL 44 -16.596 -4.970 -1.138 305 1HG2 VAL 44 1HG2 VAL 44 -18.991 -3.240 1.067 306 2HG2 VAL 44 2HG2 VAL 44 -18.905 -3.982 -0.549 307 3HG2 VAL 44 3HG2 VAL 44 -19.557 -4.910 0.823 308 H ALA 45 H ALA 45 -15.123 -6.741 2.122 309 HA ALA 45 HA ALA 45 -13.561 -7.108 -0.095 310 1HB ALA 45 1HB ALA 45 -13.483 -8.272 2.705 311 2HB ALA 45 2HB ALA 45 -12.196 -8.581 1.515 312 3HB ALA 45 3HB ALA 45 -12.540 -6.916 2.042 313 H ALA 46 H ALA 46 -15.709 -9.446 1.607 314 HA ALA 46 HA ALA 46 -14.894 -11.636 -0.021 315 1HB ALA 46 1HB ALA 46 -17.478 -11.428 1.544 316 2HB ALA 46 2HB ALA 46 -16.472 -12.864 1.232 317 3HB ALA 46 3HB ALA 46 -15.911 -11.613 2.367 318 H ALA 47 H ALA 47 -17.485 -9.157 -0.081 319 HA ALA 47 HA ALA 47 -18.930 -10.405 -2.181 320 1HB ALA 47 1HB ALA 47 -19.239 -7.501 -1.918 321 2HB ALA 47 2HB ALA 47 -20.431 -8.800 -1.671 322 3HB ALA 47 3HB ALA 47 -19.330 -8.338 -0.350 323 H THR 48 H THR 48 -19.346 -8.295 -4.020 324 HA THR 48 HA THR 48 -18.510 -7.854 -6.069 325 HB THR 48 HB THR 48 -18.030 -5.842 -4.667 326 HG1 THR 48 HG1 THR 48 -16.226 -5.173 -6.126 327 1HG2 THR 48 1HG2 THR 48 -15.454 -5.606 -4.152 328 2HG2 THR 48 2HG2 THR 48 -16.468 -6.488 -2.984 329 3HG2 THR 48 3HG2 THR 48 -15.460 -7.386 -4.144 330 H ALA 49 H ALA 49 -17.894 -10.482 -5.495 331 HA ALA 49 HA ALA 49 -15.316 -11.286 -5.466 332 1HB ALA 49 1HB ALA 49 -16.648 -12.868 -7.426 333 2HB ALA 49 2HB ALA 49 -16.448 -13.211 -5.691 334 3HB ALA 49 3HB ALA 49 -17.883 -12.329 -6.263 335 H ALA 50 H ALA 50 -13.811 -11.975 -7.211 336 HA ALA 50 HA ALA 50 -13.646 -9.882 -9.194 337 1HB ALA 50 1HB ALA 50 -11.514 -10.204 -8.490 338 2HB ALA 50 2HB ALA 50 -11.860 -11.843 -7.888 339 3HB ALA 50 3HB ALA 50 -11.520 -11.582 -9.616 340 H VAL 51 H VAL 51 -15.936 -11.241 -9.748 341 HA VAL 51 HA VAL 51 -16.996 -12.560 -11.191 342 HB VAL 51 HB VAL 51 -16.205 -10.733 -12.597 343 1HG1 VAL 51 1HG1 VAL 51 -14.216 -11.196 -14.120 344 2HG1 VAL 51 2HG1 VAL 51 -13.841 -10.831 -12.418 345 3HG1 VAL 51 3HG1 VAL 51 -13.788 -12.512 -13.002 346 1HG2 VAL 51 1HG2 VAL 51 -16.880 -11.675 -14.581 347 2HG2 VAL 51 2HG2 VAL 51 -15.883 -13.133 -14.360 348 3HG2 VAL 51 3HG2 VAL 51 -17.401 -12.946 -13.448 349 H GLU 52 H GLU 52 -15.730 -14.186 -9.467 350 HA GLU 52 HA GLU 52 -13.922 -15.908 -10.811 351 1HB GLU 52 1HB GLU 52 -14.151 -15.375 -8.249 352 2HB GLU 52 2HB GLU 52 -15.401 -16.603 -8.258 353 1HG GLU 52 1HG GLU 52 -13.904 -18.337 -8.738 354 2HG GLU 52 2HG GLU 52 -12.785 -17.287 -9.584 355 HE2 GLU 52 HE2 GLU 52 -11.105 -18.346 -7.143 356 H GLY 53 H GLY 53 -14.392 -18.378 -10.873 357 1HA GLY 53 1HA GLY 53 -17.221 -18.950 -11.419 358 2HA GLY 53 2HA GLY 53 -16.049 -19.193 -12.699 359 H THR 54 H THR 54 -16.549 -19.981 -9.185 360 HA THR 54 HA THR 54 -15.956 -22.752 -9.753 361 HB THR 54 HB THR 54 -14.175 -20.987 -7.996 362 HG1 THR 54 HG1 THR 54 -13.895 -22.754 -10.324 363 1HG2 THR 54 1HG2 THR 54 -12.899 -23.340 -7.982 364 2HG2 THR 54 2HG2 THR 54 -14.138 -22.991 -6.752 365 3HG2 THR 54 3HG2 THR 54 -14.546 -23.989 -8.168 366 H GLY 55 H GLY 55 -17.936 -23.430 -9.070 367 1HA GLY 55 1HA GLY 55 -18.479 -23.004 -6.207 368 2HA GLY 55 2HA GLY 55 -19.726 -22.666 -7.391 369 H GLY 56 H GLY 56 -19.781 -24.619 -9.203 370 1HA GLY 56 1HA GLY 56 -20.929 -26.800 -7.934 371 2HA GLY 56 2HA GLY 56 -20.378 -26.748 -9.597 372 H SER 57 H SER 57 -18.430 -27.747 -10.201 373 HA SER 57 HA SER 57 -16.984 -28.976 -7.986 374 1HB SER 57 1HB SER 57 -18.494 -30.433 -9.655 375 2HB SER 57 2HB SER 57 -17.085 -30.303 -10.690 376 HG SER 57 HG SER 57 -16.149 -31.813 -9.512 377 H GLY 58 H GLY 58 -14.646 -29.481 -8.527 378 1HA GLY 58 1HA GLY 58 -13.104 -28.981 -10.567 379 2HA GLY 58 2HA GLY 58 -13.554 -27.329 -10.196 380 H GLY 59 H GLY 59 -12.106 -30.319 -8.781 381 1HA GLY 59 1HA GLY 59 -10.642 -28.587 -6.878 382 2HA GLY 59 2HA GLY 59 -11.189 -30.212 -6.513 383 H GLY 60 H GLY 60 -9.965 -32.004 -7.147 384 1HA GLY 60 1HA GLY 60 -8.219 -32.259 -9.216 385 2HA GLY 60 2HA GLY 60 -7.266 -31.459 -7.982 386 HA PRO 61 HA PRO 61 -7.171 -35.916 -7.078 387 1HB PRO 61 1HB PRO 61 -4.461 -36.264 -7.151 388 2HB PRO 61 2HB PRO 61 -5.505 -36.578 -8.523 389 1HG PRO 61 1HG PRO 61 -3.681 -34.297 -8.066 390 2HG PRO 61 2HG PRO 61 -4.394 -34.848 -9.569 391 1HD PRO 61 1HD PRO 61 -5.212 -32.584 -8.010 392 2HD PRO 61 2HD PRO 61 -5.996 -33.203 -9.450 393 H HIS 62 H HIS 62 -5.808 -37.149 -5.313 394 HA HIS 62 HA HIS 62 -5.664 -35.210 -3.120 395 1HB HIS 62 1HB HIS 62 -7.473 -37.089 -3.187 396 2HB HIS 62 2HB HIS 62 -6.155 -38.157 -2.743 397 HD1 HIS 62 HD1 HIS 62 -7.166 -38.626 -0.396 398 HD2 HIS 62 HD2 HIS 62 -6.298 -34.585 -1.111 399 HE1 HIS 62 HE1 HIS 62 -7.331 -37.449 1.862 400 H HIS 63 H HIS 63 -4.423 -38.526 -3.975 401 HA HIS 63 HA HIS 63 -1.748 -37.676 -3.923 402 1HB HIS 63 1HB HIS 63 -2.535 -37.680 -1.423 403 2HB HIS 63 2HB HIS 63 -2.385 -39.421 -1.558 404 HD1 HIS 63 HD1 HIS 63 -0.454 -36.486 -0.721 405 HD2 HIS 63 HD2 HIS 63 0.379 -40.176 -2.534 406 HE1 HIS 63 HE1 HIS 63 2.071 -36.809 -0.557 407 H HIS 64 H HIS 64 -0.270 -39.475 -4.419 408 HA HIS 64 HA HIS 64 -1.750 -41.606 -5.722 409 1HB HIS 64 1HB HIS 64 0.772 -40.182 -6.181 410 2HB HIS 64 2HB HIS 64 0.929 -41.919 -6.356 411 HD1 HIS 64 HD1 HIS 64 -0.258 -43.049 -8.364 412 HD2 HIS 64 HD2 HIS 64 -0.940 -38.919 -8.087 413 HE1 HIS 64 HE1 HIS 64 -1.335 -42.353 -10.570 414 H HIS 65 H HIS 65 1.356 -41.352 -3.840 415 HA HIS 65 HA HIS 65 2.181 -42.602 -2.231 416 1HB HIS 65 1HB HIS 65 -0.401 -42.505 -1.525 417 2HB HIS 65 2HB HIS 65 -0.290 -44.227 -1.826 418 HD1 HIS 65 HD1 HIS 65 -0.087 -42.014 0.892 419 HD2 HIS 65 HD2 HIS 65 2.323 -45.203 -0.380 420 HE1 HIS 65 HE1 HIS 65 1.241 -42.767 2.937 421 H GLN 66 H GLN 66 3.347 -44.574 -2.088 422 HA GLN 66 HA GLN 66 2.848 -46.304 -4.378 423 1HB GLN 66 1HB GLN 66 5.125 -44.957 -3.869 424 2HB GLN 66 2HB GLN 66 5.459 -46.369 -2.886 425 1HG GLN 66 1HG GLN 66 5.978 -47.578 -4.731 426 2HG GLN 66 2HG GLN 66 4.388 -47.284 -5.407 427 1HE2 GLN 66 1HE2 GLN 66 5.095 -47.054 -7.482 428 2HE2 GLN 66 2HE2 GLN 66 6.003 -45.696 -8.058 429 H THR 67 H THR 67 4.576 -48.459 -3.439 430 HA THR 67 HA THR 67 3.640 -49.294 -0.865 431 HB THR 67 HB THR 67 2.496 -50.525 -3.426 432 HG1 THR 67 HG1 THR 67 1.561 -49.186 -0.992 433 1HG2 THR 67 1HG2 THR 67 2.380 -51.434 -0.505 434 2HG2 THR 67 2HG2 THR 67 1.226 -51.977 -1.747 435 3HG2 THR 67 3HG2 THR 67 2.952 -52.383 -1.898 436 H ARG 68 H ARG 68 4.332 -51.695 -0.501 437 HA ARG 68 HA ARG 68 7.003 -51.792 -0.699 438 1HB ARG 68 1HB ARG 68 4.843 -53.845 -0.314 439 2HB ARG 68 2HB ARG 68 6.438 -54.472 -0.679 440 1HG ARG 68 1HG ARG 68 6.183 -52.329 1.438 441 2HG ARG 68 2HG ARG 68 5.700 -53.965 1.842 442 1HD ARG 68 1HD ARG 68 8.042 -54.640 0.794 443 2HD ARG 68 2HD ARG 68 8.445 -52.952 1.038 444 HE ARG 68 HE ARG 68 7.288 -53.922 3.457 445 1HH1 ARG 68 2HH2 ARG 68 10.220 -54.389 1.523 446 2HH1 ARG 68 1HH2 ARG 68 11.197 -54.830 2.884 447 1HH2 ARG 68 1HH ARG 68 10.210 -54.890 5.067 448 H GLY 69 H GLY 69 8.476 -53.262 -1.990 449 1HA GLY 69 1HA GLY 69 7.732 -54.596 -4.307 450 2HA GLY 69 2HA GLY 69 8.048 -52.937 -4.774 451 H ALA 70 H ALA 70 9.442 -56.001 -4.001 452 HA ALA 70 HA ALA 70 12.031 -55.079 -4.705 453 1HB ALA 70 1HB ALA 70 11.660 -54.435 -2.193 454 2HB ALA 70 2HB ALA 70 11.865 -56.178 -1.896 455 3HB ALA 70 3HB ALA 70 13.172 -55.247 -2.666 456 H TYR 71 H TYR 71 12.138 -56.686 -6.248 457 HA TYR 71 HA TYR 71 11.198 -59.317 -5.730 458 1HB TYR 71 1HB TYR 71 12.812 -57.776 -7.815 459 2HB TYR 71 2HB TYR 71 12.766 -59.524 -7.938 460 HD1 TYR 71 HD1 TYR 71 10.146 -56.960 -7.104 461 HD2 TYR 71 HD2 TYR 71 11.363 -60.158 -9.671 462 HE1 TYR 71 HE1 TYR 71 7.930 -56.819 -8.342 463 HE2 TYR 71 HE2 TYR 71 9.143 -60.007 -10.901 464 HH TYR 71 HH TYR 71 6.513 -58.355 -9.673 465 H SER 72 H SER 72 12.296 -61.170 -5.129 466 HA SER 72 HA SER 72 15.171 -60.930 -4.864 467 1HB SER 72 1HB SER 72 15.094 -61.942 -2.591 468 2HB SER 72 2HB SER 72 14.315 -60.373 -2.638 469 HG SER 72 HG SER 72 12.665 -62.642 -3.122 470 H SER 73 H SER 73 16.259 -62.866 -5.350 471 HA SER 73 HA SER 73 15.022 -65.357 -5.139 472 1HB SER 73 1HB SER 73 13.909 -64.237 -7.244 473 2HB SER 73 2HB SER 73 15.439 -64.561 -8.035 474 HG SER 73 HG SER 73 14.368 -66.743 -6.602 475 H HIS 74 H HIS 74 16.591 -67.034 -5.392 476 HA HIS 74 HA HIS 74 18.581 -67.940 -5.570 477 1HB HIS 74 1HB HIS 74 18.337 -66.509 -7.897 478 2HB HIS 74 2HB HIS 74 19.843 -65.878 -7.262 479 HD1 HIS 74 HD1 HIS 74 21.280 -68.264 -6.149 480 HD2 HIS 74 HD2 HIS 74 18.997 -68.473 -9.662 481 HE1 HIS 74 HE1 HIS 74 22.152 -70.278 -7.450 482 H ASP 75 H ASP 75 19.657 -67.909 -3.660 483 HA ASP 75 HA ASP 75 21.423 -65.723 -3.188 484 1HB ASP 75 1HB ASP 75 18.973 -65.346 -2.109 485 2HB ASP 75 2HB ASP 75 19.624 -66.392 -0.863 486 HD2 ASP 75 HD2 ASP 75 21.369 -64.071 0.671 Start of MODEL 6 1 H MET 1 H MET 1 -63.059 37.224 -10.912 2 HA MET 1 HA MET 1 -62.110 36.975 -8.219 3 1HB MET 1 1HB MET 1 -64.363 35.446 -9.145 4 2HB MET 1 2HB MET 1 -63.007 34.336 -9.121 5 1HG MET 1 1HG MET 1 -62.933 34.296 -6.835 6 2HG MET 1 2HG MET 1 -63.075 36.038 -6.711 7 1HE MET 1 1HE MET 1 -65.968 33.943 -4.720 8 2HE MET 1 2HE MET 1 -64.863 32.894 -5.640 9 3HE MET 1 3HE MET 1 -64.216 34.254 -4.692 10 H GLU 2 H GLU 2 -59.996 37.284 -9.011 11 HA GLU 2 HA GLU 2 -58.968 36.290 -11.300 12 1HB GLU 2 1HB GLU 2 -56.773 36.648 -10.312 13 2HB GLU 2 2HB GLU 2 -57.852 37.906 -9.742 14 1HG GLU 2 1HG GLU 2 -57.716 37.209 -7.568 15 2HG GLU 2 2HG GLU 2 -57.892 35.520 -8.001 16 HE2 GLU 2 HE2 GLU 2 -55.108 37.811 -7.342 17 H VAL 3 H VAL 3 -57.294 34.494 -11.605 18 HA VAL 3 HA VAL 3 -58.362 32.046 -11.270 19 HB VAL 3 HB VAL 3 -55.423 32.759 -11.249 20 1HG1 VAL 3 1HG1 VAL 3 -56.919 30.189 -11.689 21 2HG1 VAL 3 2HG1 VAL 3 -55.392 30.482 -12.555 22 3HG1 VAL 3 3HG1 VAL 3 -55.422 30.492 -10.775 23 1HG2 VAL 3 1HG2 VAL 3 -56.065 33.776 -13.189 24 2HG2 VAL 3 2HG2 VAL 3 -55.897 32.114 -13.805 25 3HG2 VAL 3 3HG2 VAL 3 -57.505 32.750 -13.385 26 H ALA 4 H ALA 4 -57.663 30.169 -9.874 27 HA ALA 4 HA ALA 4 -57.739 31.041 -7.119 28 1HB ALA 4 1HB ALA 4 -57.930 28.326 -8.482 29 2HB ALA 4 2HB ALA 4 -58.061 28.576 -6.724 30 3HB ALA 4 3HB ALA 4 -59.268 29.294 -7.817 31 H MET 5 H MET 5 -55.895 31.441 -6.013 32 HA MET 5 HA MET 5 -53.638 29.701 -6.614 33 1HB MET 5 1HB MET 5 -53.541 32.144 -7.586 34 2HB MET 5 2HB MET 5 -53.361 32.668 -5.923 35 1HG MET 5 1HG MET 5 -51.268 31.532 -5.662 36 2HG MET 5 2HG MET 5 -51.541 30.514 -7.062 37 1HE MET 5 1HE MET 5 -48.799 32.363 -8.835 38 2HE MET 5 2HE MET 5 -48.892 31.427 -7.323 39 3HE MET 5 3HE MET 5 -49.780 30.880 -8.765 40 H VAL 6 H VAL 6 -54.188 28.450 -4.721 41 HA VAL 6 HA VAL 6 -53.590 29.887 -2.230 42 HB VAL 6 HB VAL 6 -55.568 27.627 -2.569 43 1HG1 VAL 6 1HG1 VAL 6 -54.702 27.613 -0.353 44 2HG1 VAL 6 2HG1 VAL 6 -54.790 29.386 -0.228 45 3HG1 VAL 6 3HG1 VAL 6 -56.285 28.421 -0.265 46 1HG2 VAL 6 1HG2 VAL 6 -57.167 29.079 -3.129 47 2HG2 VAL 6 2HG2 VAL 6 -56.750 30.142 -1.764 48 3HG2 VAL 6 3HG2 VAL 6 -55.906 30.321 -3.321 49 H SER 7 H SER 7 -52.861 28.267 -0.464 50 HA SER 7 HA SER 7 -50.655 26.914 -1.499 51 1HB SER 7 1HB SER 7 -50.389 26.097 0.875 52 2HB SER 7 2HB SER 7 -50.559 27.835 0.732 53 HG SER 7 HG SER 7 -52.999 26.465 1.030 54 H ALA 8 H ALA 8 -51.204 25.247 -2.955 55 HA ALA 8 HA ALA 8 -53.292 23.414 -2.418 56 1HB ALA 8 1HB ALA 8 -51.644 22.215 -4.283 57 2HB ALA 8 2HB ALA 8 -52.938 23.380 -4.654 58 3HB ALA 8 3HB ALA 8 -51.257 23.940 -4.489 59 H GLU 9 H GLU 9 -52.826 22.725 -0.213 60 HA GLU 9 HA GLU 9 -50.468 21.687 0.633 61 1HB GLU 9 1HB GLU 9 -52.773 22.112 1.850 62 2HB GLU 9 2HB GLU 9 -53.091 20.431 1.473 63 1HG GLU 9 1HG GLU 9 -51.593 19.666 3.027 64 2HG GLU 9 2HG GLU 9 -50.385 20.859 2.594 65 HE2 GLU 9 HE2 GLU 9 -52.294 19.953 4.962 66 H SER 10 H SER 10 -50.179 19.211 1.284 67 HA SER 10 HA SER 10 -50.724 17.710 -1.156 68 1HB SER 10 1HB SER 10 -48.681 16.398 -0.615 69 2HB SER 10 2HB SER 10 -48.329 18.103 -0.820 70 HG SER 10 HG SER 10 -47.267 17.588 1.052 71 H SER 11 H SER 11 -52.841 17.064 -0.260 72 HA SER 11 HA SER 11 -54.206 15.764 0.818 73 1HB SER 11 1HB SER 11 -51.813 14.142 0.357 74 2HB SER 11 2HB SER 11 -52.673 13.588 1.780 75 HG SER 11 HG SER 11 -53.416 13.478 -0.928 76 H GLY 12 H GLY 12 -54.606 14.516 3.054 77 1HA GLY 12 1HA GLY 12 -54.352 16.289 5.129 78 2HA GLY 12 2HA GLY 12 -54.613 14.565 5.304 79 H CYS 13 H CYS 13 -52.257 13.404 4.405 80 HA CYS 13 HA CYS 13 -50.282 12.805 5.161 81 1HB CYS 13 1HB CYS 13 -49.582 14.750 3.820 82 2HB CYS 13 2HB CYS 13 -49.749 15.794 5.217 83 HG CYS 13 HG CYS 13 -47.506 15.527 5.910 84 H ASN 14 H ASN 14 -51.699 12.160 7.143 85 HA ASN 14 HA ASN 14 -51.213 13.844 9.428 86 1HB ASN 14 1HB ASN 14 -53.165 11.800 8.658 87 2HB ASN 14 2HB ASN 14 -52.474 11.398 10.218 88 1HD2 ASN 14 1HD2 ASN 14 -55.071 12.651 9.034 89 2HD2 ASN 14 2HD2 ASN 14 -55.436 13.955 10.114 90 H SER 15 H SER 15 -49.047 12.271 7.941 91 HA SER 15 HA SER 15 -47.327 11.008 8.341 92 1HB SER 15 1HB SER 15 -47.952 12.241 10.947 93 2HB SER 15 2HB SER 15 -47.044 10.752 11.116 94 HG SER 15 HG SER 15 -45.496 12.342 10.868 95 H HIS 16 H HIS 16 -48.140 9.017 7.517 96 HA HIS 16 HA HIS 16 -49.553 7.305 9.378 97 1HB HIS 16 1HB HIS 16 -50.201 6.034 7.532 98 2HB HIS 16 2HB HIS 16 -50.240 7.687 6.952 99 HD1 HIS 16 HD1 HIS 16 -49.873 5.104 5.119 100 HD2 HIS 16 HD2 HIS 16 -46.814 7.669 6.409 101 HE1 HIS 16 HE1 HIS 16 -47.964 4.838 3.447 102 H MET 17 H MET 17 -46.965 7.864 10.258 103 HA MET 17 HA MET 17 -44.870 6.497 9.466 104 1HB MET 17 1HB MET 17 -46.073 6.893 12.235 105 2HB MET 17 2HB MET 17 -44.572 6.000 12.082 106 1HG MET 17 1HG MET 17 -43.640 7.991 10.750 107 2HG MET 17 2HG MET 17 -45.088 8.874 11.189 108 1HE MET 17 1HE MET 17 -46.036 8.832 13.353 109 2HE MET 17 2HE MET 17 -45.243 8.440 14.898 110 3HE MET 17 3HE MET 17 -45.074 10.068 14.199 111 HA PRO 18 HA PRO 18 -46.543 2.375 9.410 112 1HB PRO 18 1HB PRO 18 -44.907 1.404 7.447 113 2HB PRO 18 2HB PRO 18 -46.453 2.162 7.119 114 1HG PRO 18 1HG PRO 18 -43.733 3.260 6.745 115 2HG PRO 18 2HG PRO 18 -45.244 3.808 6.046 116 1HD PRO 18 1HD PRO 18 -43.821 5.019 8.222 117 2HD PRO 18 2HD PRO 18 -45.387 5.497 7.598 118 H TYR 19 H TYR 19 -46.125 0.770 10.799 119 HA TYR 19 HA TYR 19 -43.776 0.903 12.297 120 1HB TYR 19 1HB TYR 19 -45.820 -0.168 13.123 121 2HB TYR 19 2HB TYR 19 -45.962 -1.159 11.685 122 HD1 TYR 19 HD1 TYR 19 -43.901 -0.657 14.752 123 HD2 TYR 19 HD2 TYR 19 -45.028 -3.333 11.609 124 HE1 TYR 19 HE1 TYR 19 -42.715 -2.566 15.941 125 HE2 TYR 19 HE2 TYR 19 -43.838 -5.232 12.809 126 HH TYR 19 HH TYR 19 -41.903 -5.384 14.460 127 H GLY 20 H GLY 20 -42.067 1.023 10.631 128 1HA GLY 20 1HA GLY 20 -41.029 -1.621 10.063 129 2HA GLY 20 2HA GLY 20 -41.467 -0.687 8.647 130 H TYR 21 H TYR 21 -40.050 0.848 7.862 131 HA TYR 21 HA TYR 21 -37.445 0.929 8.792 132 1HB TYR 21 1HB TYR 21 -37.273 2.655 7.075 133 2HB TYR 21 2HB TYR 21 -38.571 1.612 6.529 134 HD1 TYR 21 HD1 TYR 21 -37.887 4.819 8.304 135 HD2 TYR 21 HD2 TYR 21 -40.745 2.469 6.156 136 HE1 TYR 21 HE1 TYR 21 -39.455 6.817 8.189 137 HE2 TYR 21 HE2 TYR 21 -42.304 4.475 6.049 138 HH TYR 21 HH TYR 21 -41.817 7.136 6.119 139 H ALA 22 H ALA 22 -40.285 2.462 10.068 140 HA ALA 22 HA ALA 22 -39.130 4.822 11.052 141 1HB ALA 22 1HB ALA 22 -41.636 3.356 11.204 142 2HB ALA 22 2HB ALA 22 -41.194 4.011 12.799 143 3HB ALA 22 3HB ALA 22 -41.334 5.100 11.398 144 H ALA 23 H ALA 23 -39.238 1.440 12.210 145 HA ALA 23 HA ALA 23 -38.038 2.215 14.734 146 1HB ALA 23 1HB ALA 23 -39.562 0.519 15.110 147 2HB ALA 23 2HB ALA 23 -39.262 -0.249 13.532 148 3HB ALA 23 3HB ALA 23 -38.091 -0.450 14.857 149 H GLN 24 H GLN 24 -36.809 2.366 11.822 150 HA GLN 24 HA GLN 24 -34.578 0.588 12.201 151 1HB GLN 24 1HB GLN 24 -35.898 1.440 9.952 152 2HB GLN 24 2HB GLN 24 -34.549 2.557 9.960 153 1HG GLN 24 1HG GLN 24 -33.470 0.848 8.867 154 2HG GLN 24 2HG GLN 24 -33.195 0.253 10.492 155 1HE2 GLN 24 1HE2 GLN 24 -33.942 -1.663 11.057 156 2HE2 GLN 24 2HE2 GLN 24 -35.049 -2.647 10.158 157 H ALA 25 H ALA 25 -35.476 3.535 13.437 158 HA ALA 25 HA ALA 25 -33.255 5.165 12.994 159 1HB ALA 25 1HB ALA 25 -35.237 6.137 13.874 160 2HB ALA 25 2HB ALA 25 -35.329 4.950 15.197 161 3HB ALA 25 3HB ALA 25 -34.061 6.199 15.209 162 H ARG 26 H ARG 26 -33.668 2.224 14.827 163 HA ARG 26 HA ARG 26 -31.673 2.756 16.724 164 1HB ARG 26 1HB ARG 26 -33.566 0.702 16.203 165 2HB ARG 26 2HB ARG 26 -32.009 -0.095 16.098 166 1HG ARG 26 1HG ARG 26 -32.526 1.782 18.413 167 2HG ARG 26 2HG ARG 26 -33.246 0.185 18.448 168 1HD ARG 26 1HD ARG 26 -30.817 -0.667 17.856 169 2HD ARG 26 2HD ARG 26 -30.299 0.918 18.392 170 HE ARG 26 HE ARG 26 -32.104 -0.395 20.287 171 1HH1 ARG 26 2HH2 ARG 26 -28.723 -0.060 19.283 172 2HH1 ARG 26 1HH2 ARG 26 -28.089 -0.540 20.822 173 1HH2 ARG 26 1HH ARG 26 -29.604 -1.105 22.591 174 H ALA 27 H ALA 27 -31.754 1.495 13.399 175 HA ALA 27 HA ALA 27 -29.184 0.305 13.449 176 1HB ALA 27 1HB ALA 27 -29.513 0.504 10.903 177 2HB ALA 27 2HB ALA 27 -30.721 -0.446 11.800 178 3HB ALA 27 3HB ALA 27 -31.101 1.214 11.281 179 H ARG 28 H ARG 28 -30.460 3.587 12.961 180 HA ARG 28 HA ARG 28 -28.274 4.634 11.652 181 1HB ARG 28 1HB ARG 28 -30.710 5.599 12.432 182 2HB ARG 28 2HB ARG 28 -29.708 6.366 13.648 183 1HG ARG 28 1HG ARG 28 -28.174 7.046 11.605 184 2HG ARG 28 2HG ARG 28 -29.587 6.683 10.633 185 1HD ARG 28 1HD ARG 28 -30.409 8.742 11.122 186 2HD ARG 28 2HD ARG 28 -30.556 8.257 12.800 187 HE ARG 28 HE ARG 28 -28.593 9.449 13.313 188 1HH1 ARG 28 2HH2 ARG 28 -28.904 9.152 9.796 189 2HH1 ARG 28 1HH2 ARG 28 -27.617 10.262 9.464 190 1HH2 ARG 28 1HH ARG 28 -26.449 11.285 11.290 191 H GLU 29 H GLU 29 -28.885 3.856 15.067 192 HA GLU 29 HA GLU 29 -26.680 5.410 15.986 193 1HB GLU 29 1HB GLU 29 -28.974 4.312 17.154 194 2HB GLU 29 2HB GLU 29 -27.684 3.324 17.812 195 1HG GLU 29 1HG GLU 29 -26.449 5.465 18.428 196 2HG GLU 29 2HG GLU 29 -27.857 6.372 17.911 197 HE2 GLU 29 HE2 GLU 29 -26.644 4.265 20.267 198 H ARG 30 H ARG 30 -27.258 2.168 14.760 199 HA ARG 30 HA ARG 30 -24.824 1.190 15.924 200 1HB ARG 30 1HB ARG 30 -27.180 0.030 14.504 201 2HB ARG 30 2HB ARG 30 -25.662 -0.772 14.156 202 1HG ARG 30 1HG ARG 30 -25.956 -0.194 17.030 203 2HG ARG 30 2HG ARG 30 -27.280 -1.171 16.426 204 1HD ARG 30 1HD ARG 30 -25.185 -2.456 15.218 205 2HD ARG 30 2HD ARG 30 -24.366 -1.844 16.641 206 HE ARG 30 HE ARG 30 -26.875 -3.022 17.416 207 1HH1 ARG 30 2HH2 ARG 30 -23.637 -3.937 16.308 208 2HH1 ARG 30 1HH2 ARG 30 -23.676 -5.488 17.078 209 1HH2 ARG 30 1HH ARG 30 -25.620 -6.132 18.323 210 H GLU 31 H GLU 31 -26.099 2.506 12.891 211 HA GLU 31 HA GLU 31 -24.117 1.483 11.212 212 1HB GLU 31 1HB GLU 31 -26.340 2.440 10.492 213 2HB GLU 31 2HB GLU 31 -25.743 4.042 10.880 214 1HG GLU 31 1HG GLU 31 -23.843 3.691 9.252 215 2HG GLU 31 2HG GLU 31 -24.527 2.135 8.825 216 HE2 GLU 31 HE2 GLU 31 -25.325 4.012 6.335 217 H ARG 32 H ARG 32 -24.162 4.050 13.590 218 HA ARG 32 HA ARG 32 -22.288 5.738 12.512 219 1HB ARG 32 1HB ARG 32 -23.764 5.724 14.797 220 2HB ARG 32 2HB ARG 32 -22.231 5.222 15.481 221 1HG ARG 32 1HG ARG 32 -22.029 7.546 15.630 222 2HG ARG 32 2HG ARG 32 -21.242 7.252 14.092 223 1HD ARG 32 1HD ARG 32 -23.626 7.600 13.041 224 2HD ARG 32 2HD ARG 32 -24.052 8.306 14.588 225 HE ARG 32 HE ARG 32 -22.748 10.185 14.071 226 1HH1 ARG 32 2HH2 ARG 32 -21.883 7.547 11.869 227 2HH1 ARG 32 1HH2 ARG 32 -20.880 8.544 10.869 228 1HH2 ARG 32 1HH ARG 32 -20.625 10.866 11.408 229 H LEU 33 H LEU 33 -21.991 2.561 14.060 230 HA LEU 33 HA LEU 33 -19.122 2.861 14.369 231 1HB LEU 33 1HB LEU 33 -21.125 1.446 15.708 232 2HB LEU 33 2HB LEU 33 -20.206 0.217 14.861 233 HG LEU 33 HG LEU 33 -18.411 2.087 16.152 234 1HD1 LEU 33 1HD1 LEU 33 -19.000 1.349 18.511 235 2HD1 LEU 33 2HD1 LEU 33 -20.052 2.581 17.772 236 3HD1 LEU 33 3HD1 LEU 33 -20.592 0.887 17.863 237 1HD2 LEU 33 1HD2 LEU 33 -17.589 -0.020 15.511 238 2HD2 LEU 33 2HD2 LEU 33 -17.690 -0.081 17.287 239 3HD2 LEU 33 3HD2 LEU 33 -18.933 -0.883 16.296 240 H ALA 34 H ALA 34 -21.406 1.986 11.965 241 HA ALA 34 HA ALA 34 -19.730 0.015 10.701 242 1HB ALA 34 1HB ALA 34 -22.064 -0.326 10.456 243 2HB ALA 34 2HB ALA 34 -22.356 1.382 10.046 244 3HB ALA 34 3HB ALA 34 -21.535 0.314 8.882 245 H HIS 35 H HIS 35 -19.284 3.210 11.204 246 HA HIS 35 HA HIS 35 -18.622 3.895 8.470 247 1HB HIS 35 1HB HIS 35 -18.614 6.080 9.138 248 2HB HIS 35 2HB HIS 35 -19.749 5.407 10.290 249 HD1 HIS 35 HD1 HIS 35 -17.876 7.998 10.705 250 HD2 HIS 35 HD2 HIS 35 -17.256 4.170 12.305 251 HE1 HIS 35 HE1 HIS 35 -16.410 8.315 12.770 252 H SER 36 H SER 36 -17.209 2.318 11.150 253 HA SER 36 HA SER 36 -14.563 3.278 10.560 254 1HB SER 36 1HB SER 36 -15.870 1.715 12.728 255 2HB SER 36 2HB SER 36 -14.236 1.206 12.355 256 HG SER 36 HG SER 36 -14.795 3.140 13.955 257 H ARG 37 H ARG 37 -16.759 0.736 9.643 258 HA ARG 37 HA ARG 37 -14.628 -1.032 8.888 259 1HB ARG 37 1HB ARG 37 -17.228 -1.470 9.702 260 2HB ARG 37 2HB ARG 37 -17.421 -1.585 7.965 261 1HG ARG 37 1HG ARG 37 -15.496 -3.243 7.916 262 2HG ARG 37 2HG ARG 37 -15.461 -3.193 9.668 263 1HD ARG 37 1HD ARG 37 -18.165 -3.693 8.519 264 2HD ARG 37 2HD ARG 37 -16.995 -4.950 8.172 265 HE ARG 37 HE ARG 37 -16.845 -5.459 10.487 266 1HH1 ARG 37 2HH2 ARG 37 -18.849 -2.583 9.970 267 2HH1 ARG 37 1HH2 ARG 37 -19.481 -2.582 11.583 268 1HH2 ARG 37 1HH ARG 37 -18.780 -4.281 13.120 269 H ALA 38 H ALA 38 -15.435 1.794 7.662 270 HA ALA 38 HA ALA 38 -16.138 1.113 4.966 271 1HB ALA 38 1HB ALA 38 -15.881 3.495 6.654 272 2HB ALA 38 2HB ALA 38 -15.217 3.748 5.022 273 3HB ALA 38 3HB ALA 38 -16.904 3.218 5.225 274 H ALA 39 H ALA 39 -13.200 2.345 6.704 275 HA ALA 39 HA ALA 39 -11.589 2.290 4.382 276 1HB ALA 39 1HB ALA 39 -11.247 2.688 7.327 277 2HB ALA 39 2HB ALA 39 -9.800 2.238 6.393 278 3HB ALA 39 3HB ALA 39 -10.714 3.704 5.967 279 H ALA 40 H ALA 40 -11.925 0.078 7.244 280 HA ALA 40 HA ALA 40 -10.073 -1.780 6.684 281 1HB ALA 40 1HB ALA 40 -12.737 -2.903 7.352 282 2HB ALA 40 2HB ALA 40 -11.195 -3.013 8.233 283 3HB ALA 40 3HB ALA 40 -12.205 -1.556 8.387 284 H ALA 41 H ALA 41 -13.488 -1.964 5.431 285 HA ALA 41 HA ALA 41 -14.322 -2.842 3.580 286 1HB ALA 41 1HB ALA 41 -12.896 -1.294 2.382 287 2HB ALA 41 2HB ALA 41 -11.492 -2.372 2.565 288 3HB ALA 41 3HB ALA 41 -12.856 -2.856 1.530 289 H ALA 42 H ALA 42 -14.180 -4.715 5.352 290 HA ALA 42 HA ALA 42 -12.526 -6.887 4.296 291 1HB ALA 42 1HB ALA 42 -12.221 -7.378 6.465 292 2HB ALA 42 2HB ALA 42 -13.220 -5.975 6.911 293 3HB ALA 42 3HB ALA 42 -13.976 -7.570 6.687 294 H ALA 43 H ALA 43 -15.888 -6.319 5.574 295 HA ALA 43 HA ALA 43 -17.017 -8.642 4.699 296 1HB ALA 43 1HB ALA 43 -19.091 -6.966 4.425 297 2HB ALA 43 2HB ALA 43 -18.424 -7.386 6.021 298 3HB ALA 43 3HB ALA 43 -17.968 -5.852 5.241 299 H VAL 44 H VAL 44 -15.810 -5.933 2.825 300 HA VAL 44 HA VAL 44 -17.277 -6.818 0.468 301 HB VAL 44 HB VAL 44 -16.024 -4.356 1.419 302 1HG1 VAL 44 1HG1 VAL 44 -15.465 -5.324 -1.391 303 2HG1 VAL 44 2HG1 VAL 44 -15.516 -3.595 -0.974 304 3HG1 VAL 44 3HG1 VAL 44 -14.327 -4.665 -0.193 305 1HG2 VAL 44 1HG2 VAL 44 -18.003 -3.547 0.773 306 2HG2 VAL 44 2HG2 VAL 44 -17.758 -4.118 -0.895 307 3HG2 VAL 44 3HG2 VAL 44 -18.465 -5.206 0.323 308 H ALA 45 H ALA 45 -14.070 -6.846 1.996 309 HA ALA 45 HA ALA 45 -12.415 -7.308 -0.101 310 1HB ALA 45 1HB ALA 45 -11.925 -7.169 2.410 311 2HB ALA 45 2HB ALA 45 -12.331 -8.901 2.483 312 3HB ALA 45 3HB ALA 45 -10.965 -8.348 1.484 313 H ALA 46 H ALA 46 -14.912 -9.448 1.269 314 HA ALA 46 HA ALA 46 -13.988 -11.680 -0.330 315 1HB ALA 46 1HB ALA 46 -16.587 -12.010 0.928 316 2HB ALA 46 2HB ALA 46 -15.062 -12.872 1.245 317 3HB ALA 46 3HB ALA 46 -15.412 -11.342 2.086 318 H ALA 47 H ALA 47 -16.462 -9.111 -0.317 319 HA ALA 47 HA ALA 47 -17.794 -10.313 -2.600 320 1HB ALA 47 1HB ALA 47 -19.573 -9.142 -1.864 321 2HB ALA 47 2HB ALA 47 -18.601 -8.745 -0.427 322 3HB ALA 47 3HB ALA 47 -18.642 -7.626 -1.811 323 H THR 48 H THR 48 -14.895 -9.172 -2.500 324 HA THR 48 HA THR 48 -14.520 -6.824 -3.714 325 HB THR 48 HB THR 48 -13.263 -9.557 -3.948 326 HG1 THR 48 HG1 THR 48 -12.878 -7.924 -2.229 327 1HG2 THR 48 1HG2 THR 48 -12.312 -7.103 -5.514 328 2HG2 THR 48 2HG2 THR 48 -11.497 -8.683 -5.419 329 3HG2 THR 48 3HG2 THR 48 -13.053 -8.533 -6.271 330 H ALA 49 H ALA 49 -15.732 -5.795 -5.181 331 HA ALA 49 HA ALA 49 -17.399 -6.941 -7.007 332 1HB ALA 49 1HB ALA 49 -15.843 -4.386 -7.520 333 2HB ALA 49 2HB ALA 49 -17.513 -4.779 -7.997 334 3HB ALA 49 3HB ALA 49 -17.120 -4.490 -6.285 335 H ALA 50 H ALA 50 -17.112 -8.215 -8.765 336 HA ALA 50 HA ALA 50 -14.421 -8.578 -9.751 337 1HB ALA 50 1HB ALA 50 -15.232 -10.655 -10.017 338 2HB ALA 50 2HB ALA 50 -16.862 -10.100 -9.566 339 3HB ALA 50 3HB ALA 50 -16.340 -10.043 -11.267 340 H VAL 51 H VAL 51 -15.032 -5.969 -10.220 341 HA VAL 51 HA VAL 51 -15.356 -5.980 -13.118 342 HB VAL 51 HB VAL 51 -16.822 -4.105 -11.252 343 1HG1 VAL 51 1HG1 VAL 51 -17.544 -4.253 -14.120 344 2HG1 VAL 51 2HG1 VAL 51 -17.422 -2.848 -13.034 345 3HG1 VAL 51 3HG1 VAL 51 -15.954 -3.537 -13.767 346 1HG2 VAL 51 1HG2 VAL 51 -17.631 -6.628 -12.636 347 2HG2 VAL 51 2HG2 VAL 51 -18.142 -5.967 -11.064 348 3HG2 VAL 51 3HG2 VAL 51 -18.810 -5.296 -12.571 349 H GLU 52 H GLU 52 -12.899 -6.003 -12.097 350 HA GLU 52 HA GLU 52 -12.173 -3.192 -11.843 351 1HB GLU 52 1HB GLU 52 -11.569 -4.884 -9.985 352 2HB GLU 52 2HB GLU 52 -10.423 -5.573 -11.117 353 1HG GLU 52 1HG GLU 52 -9.502 -3.154 -11.399 354 2HG GLU 52 2HG GLU 52 -10.444 -2.750 -9.978 355 HE2 GLU 52 HE2 GLU 52 -7.757 -4.355 -11.127 356 H GLY 53 H GLY 53 -10.302 -2.405 -13.061 357 1HA GLY 53 1HA GLY 53 -8.816 -2.384 -14.778 358 2HA GLY 53 2HA GLY 53 -9.074 -4.098 -15.034 359 H THR 54 H THR 54 -10.194 -0.814 -15.813 360 HA THR 54 HA THR 54 -12.501 -1.210 -17.160 361 HB THR 54 HB THR 54 -11.203 0.951 -16.780 362 HG1 THR 54 HG1 THR 54 -12.531 1.626 -18.424 363 1HG2 THR 54 1HG2 THR 54 -9.075 -0.138 -18.000 364 2HG2 THR 54 2HG2 THR 54 -9.909 0.428 -19.466 365 3HG2 THR 54 3HG2 THR 54 -9.440 1.592 -18.204 366 H GLY 55 H GLY 55 -13.204 -2.571 -18.669 367 1HA GLY 55 1HA GLY 55 -11.645 -4.404 -20.003 368 2HA GLY 55 2HA GLY 55 -13.237 -3.870 -20.504 369 H GLY 56 H GLY 56 -10.451 -4.446 -21.886 370 1HA GLY 56 1HA GLY 56 -10.485 -1.990 -23.535 371 2HA GLY 56 2HA GLY 56 -9.000 -2.791 -23.063 372 H SER 57 H SER 57 -9.549 -2.416 -25.772 373 HA SER 57 HA SER 57 -10.443 -5.057 -26.615 374 1HB SER 57 1HB SER 57 -10.744 -3.990 -28.872 375 2HB SER 57 2HB SER 57 -11.763 -3.293 -27.628 376 HG SER 57 HG SER 57 -10.255 -1.527 -27.426 377 H GLY 58 H GLY 58 -8.854 -6.466 -27.253 378 1HA GLY 58 1HA GLY 58 -6.291 -5.298 -28.163 379 2HA GLY 58 2HA GLY 58 -6.420 -6.742 -27.179 380 H GLY 59 H GLY 59 -5.116 -7.700 -29.017 381 1HA GLY 59 1HA GLY 59 -6.045 -9.607 -30.422 382 2HA GLY 59 2HA GLY 59 -6.799 -8.332 -31.358 383 H GLY 60 H GLY 60 -3.742 -9.906 -30.475 384 1HA GLY 60 1HA GLY 60 -2.434 -8.447 -32.690 385 2HA GLY 60 2HA GLY 60 -1.628 -8.748 -31.163 386 HA PRO 61 HA PRO 61 -2.085 -12.794 -33.645 387 1HB PRO 61 1HB PRO 61 -2.119 -12.520 -36.364 388 2HB PRO 61 2HB PRO 61 -3.567 -12.759 -35.407 389 1HG PRO 61 1HG PRO 61 -2.577 -10.284 -36.683 390 2HG PRO 61 2HG PRO 61 -4.189 -10.649 -36.100 391 1HD PRO 61 1HD PRO 61 -2.232 -8.995 -34.811 392 2HD PRO 61 2HD PRO 61 -3.799 -9.455 -34.175 393 H HIS 62 H HIS 62 -0.443 -14.184 -34.552 394 HA HIS 62 HA HIS 62 1.809 -12.939 -35.710 395 1HB HIS 62 1HB HIS 62 1.938 -12.290 -33.224 396 2HB HIS 62 2HB HIS 62 2.296 -13.978 -32.917 397 HD1 HIS 62 HD1 HIS 62 4.742 -13.859 -32.297 398 HD2 HIS 62 HD2 HIS 62 3.884 -11.849 -35.878 399 HE1 HIS 62 HE1 HIS 62 6.991 -13.178 -33.291 400 H HIS 63 H HIS 63 3.666 -14.637 -35.901 401 HA HIS 63 HA HIS 63 4.211 -16.574 -36.798 402 1HB HIS 63 1HB HIS 63 4.581 -17.428 -34.704 403 2HB HIS 63 2HB HIS 63 2.910 -17.259 -34.205 404 HD1 HIS 63 HD1 HIS 63 1.572 -19.376 -34.141 405 HD2 HIS 63 HD2 HIS 63 4.909 -19.685 -36.663 406 HE1 HIS 63 HE1 HIS 63 1.648 -21.800 -34.931 407 H HIS 64 H HIS 64 2.974 -16.184 -38.760 408 HA HIS 64 HA HIS 64 0.383 -17.489 -38.846 409 1HB HIS 64 1HB HIS 64 1.330 -15.152 -39.947 410 2HB HIS 64 2HB HIS 64 1.436 -16.254 -41.304 411 HD1 HIS 64 HD1 HIS 64 -0.577 -13.997 -41.507 412 HD2 HIS 64 HD2 HIS 64 -1.516 -17.739 -39.859 413 HE1 HIS 64 HE1 HIS 64 -3.110 -14.241 -41.685 414 H HIS 65 H HIS 65 3.404 -17.412 -40.878 415 HA HIS 65 HA HIS 65 4.439 -18.982 -42.007 416 1HB HIS 65 1HB HIS 65 3.963 -20.134 -39.596 417 2HB HIS 65 2HB HIS 65 3.157 -21.284 -40.644 418 HD1 HIS 65 HD1 HIS 65 4.728 -22.286 -42.667 419 HD2 HIS 65 HD2 HIS 65 6.693 -20.435 -39.456 420 HE1 HIS 65 HE1 HIS 65 7.156 -23.062 -42.772 421 H GLN 66 H GLN 66 3.881 -19.155 -44.115 422 HA GLN 66 HA GLN 66 1.404 -20.590 -44.661 423 1HB GLN 66 1HB GLN 66 1.410 -17.975 -44.997 424 2HB GLN 66 2HB GLN 66 2.346 -18.324 -46.437 425 1HG GLN 66 1HG GLN 66 0.517 -19.076 -47.565 426 2HG GLN 66 2HG GLN 66 0.033 -20.116 -46.241 427 1HE2 GLN 66 1HE2 GLN 66 -0.434 -17.154 -47.878 428 2HE2 GLN 66 2HE2 GLN 66 -1.713 -16.497 -46.912 429 H THR 67 H THR 67 1.438 -21.053 -47.282 430 HA THR 67 HA THR 67 3.510 -22.902 -47.641 431 HB THR 67 HB THR 67 1.690 -21.608 -49.736 432 HG1 THR 67 HG1 THR 67 0.165 -22.566 -48.451 433 1HG2 THR 67 1HG2 THR 67 1.724 -24.256 -50.296 434 2HG2 THR 67 2HG2 THR 67 2.938 -23.148 -50.981 435 3HG2 THR 67 3HG2 THR 67 3.336 -24.130 -49.550 436 H ARG 68 H ARG 68 4.875 -22.885 -49.778 437 HA ARG 68 HA ARG 68 6.929 -21.261 -49.435 438 1HB ARG 68 1HB ARG 68 7.538 -21.689 -51.813 439 2HB ARG 68 2HB ARG 68 6.892 -23.135 -51.062 440 1HG ARG 68 1HG ARG 68 4.568 -22.249 -52.009 441 2HG ARG 68 2HG ARG 68 5.578 -21.307 -53.087 442 1HD ARG 68 1HD ARG 68 5.971 -23.129 -54.385 443 2HD ARG 68 2HD ARG 68 6.609 -24.014 -53.013 444 HE ARG 68 HE ARG 68 3.665 -23.843 -53.120 445 1HH1 ARG 68 2HH2 ARG 68 6.538 -25.748 -53.938 446 2HH1 ARG 68 1HH2 ARG 68 5.661 -27.234 -54.095 447 1HH2 ARG 68 1HH ARG 68 3.292 -27.242 -53.731 448 H GLY 69 H GLY 69 7.774 -19.347 -50.742 449 1HA GLY 69 1HA GLY 69 5.585 -17.424 -51.182 450 2HA GLY 69 2HA GLY 69 7.242 -17.041 -50.757 451 H ALA 70 H ALA 70 8.904 -18.197 -52.476 452 HA ALA 70 HA ALA 70 8.020 -18.406 -55.130 453 1HB ALA 70 1HB ALA 70 7.611 -15.989 -54.909 454 2HB ALA 70 2HB ALA 70 9.286 -15.745 -54.359 455 3HB ALA 70 3HB ALA 70 8.967 -16.297 -56.021 456 H TYR 71 H TYR 71 9.383 -20.113 -55.479 457 HA TYR 71 HA TYR 71 12.239 -19.574 -55.037 458 1HB TYR 71 1HB TYR 71 10.387 -21.573 -53.943 459 2HB TYR 71 2HB TYR 71 11.562 -22.399 -54.948 460 HD1 TYR 71 HD1 TYR 71 11.638 -19.614 -52.417 461 HD2 TYR 71 HD2 TYR 71 13.358 -23.282 -53.792 462 HE1 TYR 71 HE1 TYR 71 13.321 -19.548 -50.513 463 HE2 TYR 71 HE2 TYR 71 15.035 -23.203 -51.884 464 HH TYR 71 HH TYR 71 15.319 -20.385 -49.850 465 H SER 72 H SER 72 13.476 -19.816 -56.836 466 HA SER 72 HA SER 72 12.572 -21.693 -58.830 467 1HB SER 72 1HB SER 72 12.831 -20.053 -60.669 468 2HB SER 72 2HB SER 72 11.562 -19.573 -59.560 469 HG SER 72 HG SER 72 14.133 -18.585 -58.930 470 H SER 73 H SER 73 14.354 -22.034 -60.542 471 HA SER 73 HA SER 73 16.931 -21.068 -59.804 472 1HB SER 73 1HB SER 73 16.249 -23.256 -58.402 473 2HB SER 73 2HB SER 73 16.739 -24.073 -59.873 474 HG SER 73 HG SER 73 18.759 -22.601 -59.643 475 H HIS 74 H HIS 74 18.619 -21.823 -61.435 476 HA HIS 74 HA HIS 74 17.669 -23.190 -63.744 477 1HB HIS 74 1HB HIS 74 16.663 -21.007 -64.164 478 2HB HIS 74 2HB HIS 74 18.207 -20.213 -63.929 479 HD1 HIS 74 HD1 HIS 74 19.749 -20.027 -65.938 480 HD2 HIS 74 HD2 HIS 74 16.554 -22.670 -66.572 481 HE1 HIS 74 HE1 HIS 74 19.816 -20.649 -68.411 482 H ASP 75 H ASP 75 19.500 -24.426 -62.701 483 HA ASP 75 HA ASP 75 22.064 -23.228 -62.834 484 1HB ASP 75 1HB ASP 75 21.015 -26.028 -62.298 485 2HB ASP 75 2HB ASP 75 22.736 -25.755 -62.483 486 HD2 ASP 75 HD2 ASP 75 21.245 -26.598 -60.233 Start of MODEL 7 1 H MET 1 H MET 1 -18.951 1.653 -5.061 2 HA MET 1 HA MET 1 -19.980 4.222 -5.991 3 1HB MET 1 1HB MET 1 -18.000 2.303 -7.046 4 2HB MET 1 2HB MET 1 -19.259 2.609 -8.226 5 1HG MET 1 1HG MET 1 -18.502 4.723 -8.639 6 2HG MET 1 2HG MET 1 -18.388 5.103 -6.933 7 1HE MET 1 1HE MET 1 -16.494 4.376 -5.393 8 2HE MET 1 2HE MET 1 -14.840 4.669 -5.984 9 3HE MET 1 3HE MET 1 -16.086 5.928 -6.165 10 H GLU 2 H GLU 2 -22.195 3.825 -5.502 11 HA GLU 2 HA GLU 2 -23.355 1.395 -6.473 12 1HB GLU 2 1HB GLU 2 -24.033 2.470 -4.299 13 2HB GLU 2 2HB GLU 2 -24.689 3.824 -5.197 14 1HG GLU 2 1HG GLU 2 -26.627 2.581 -5.069 15 2HG GLU 2 2HG GLU 2 -25.971 1.833 -6.511 16 HE2 GLU 2 HE2 GLU 2 -25.878 -0.223 -6.398 17 H VAL 3 H VAL 3 -22.810 1.761 -8.784 18 HA VAL 3 HA VAL 3 -23.973 3.998 -10.118 19 HB VAL 3 HB VAL 3 -22.867 1.419 -11.243 20 1HG1 VAL 3 1HG1 VAL 3 -22.434 2.746 -13.256 21 2HG1 VAL 3 2HG1 VAL 3 -24.165 2.769 -12.843 22 3HG1 VAL 3 3HG1 VAL 3 -23.144 4.181 -12.479 23 1HG2 VAL 3 1HG2 VAL 3 -20.781 2.946 -11.552 24 2HG2 VAL 3 2HG2 VAL 3 -21.499 3.910 -10.240 25 3HG2 VAL 3 3HG2 VAL 3 -21.083 2.202 -9.964 26 H ALA 4 H ALA 4 -25.606 3.770 -11.889 27 HA ALA 4 HA ALA 4 -27.922 2.555 -10.911 28 1HB ALA 4 1HB ALA 4 -28.110 4.465 -12.324 29 2HB ALA 4 2HB ALA 4 -27.112 3.719 -13.595 30 3HB ALA 4 3HB ALA 4 -28.752 3.104 -13.275 31 H MET 5 H MET 5 -28.610 0.475 -10.970 32 HA MET 5 HA MET 5 -27.011 -1.509 -12.038 33 1HB MET 5 1HB MET 5 -29.037 -2.968 -11.554 34 2HB MET 5 2HB MET 5 -28.613 -1.923 -10.212 35 1HG MET 5 1HG MET 5 -30.461 -0.579 -12.066 36 2HG MET 5 2HG MET 5 -31.131 -2.090 -11.483 37 1HE MET 5 1HE MET 5 -30.424 1.670 -10.497 38 2HE MET 5 2HE MET 5 -31.915 0.948 -11.149 39 3HE MET 5 3HE MET 5 -31.874 1.546 -9.473 40 H VAL 6 H VAL 6 -27.450 -3.046 -13.807 41 HA VAL 6 HA VAL 6 -27.974 -1.804 -16.212 42 HB VAL 6 HB VAL 6 -28.310 -4.745 -15.621 43 1HG1 VAL 6 1HG1 VAL 6 -27.859 -3.091 -18.064 44 2HG1 VAL 6 2HG1 VAL 6 -27.026 -4.661 -17.968 45 3HG1 VAL 6 3HG1 VAL 6 -28.801 -4.585 -17.847 46 1HG2 VAL 6 1HG2 VAL 6 -26.263 -4.469 -14.630 47 2HG2 VAL 6 2HG2 VAL 6 -25.744 -4.646 -16.323 48 3HG2 VAL 6 3HG2 VAL 6 -25.862 -3.027 -15.593 49 H SER 7 H SER 7 -29.762 -2.467 -17.808 50 HA SER 7 HA SER 7 -31.854 -2.473 -18.383 51 1HB SER 7 1HB SER 7 -31.914 -4.632 -17.078 52 2HB SER 7 2HB SER 7 -32.457 -3.736 -15.672 53 HG SER 7 HG SER 7 -33.837 -3.945 -18.213 54 H ALA 8 H ALA 8 -33.995 -1.351 -18.009 55 HA ALA 8 HA ALA 8 -33.536 1.041 -16.462 56 1HB ALA 8 1HB ALA 8 -34.441 1.144 -18.754 57 2HB ALA 8 2HB ALA 8 -35.840 0.166 -18.252 58 3HB ALA 8 3HB ALA 8 -35.607 1.797 -17.578 59 H GLU 9 H GLU 9 -33.475 -0.632 -14.498 60 HA GLU 9 HA GLU 9 -35.919 -1.654 -13.637 61 1HB GLU 9 1HB GLU 9 -33.461 -2.202 -12.900 62 2HB GLU 9 2HB GLU 9 -33.663 -0.883 -11.764 63 1HG GLU 9 1HG GLU 9 -35.293 -2.007 -10.518 64 2HG GLU 9 2HG GLU 9 -35.859 -2.940 -11.889 65 HE2 GLU 9 HE2 GLU 9 -34.818 -5.311 -10.230 66 H SER 10 H SER 10 -37.219 -0.944 -11.739 67 HA SER 10 HA SER 10 -36.876 1.528 -10.570 68 1HB SER 10 1HB SER 10 -37.809 1.822 -13.200 69 2HB SER 10 2HB SER 10 -39.269 1.936 -12.238 70 HG SER 10 HG SER 10 -38.682 3.935 -11.781 71 H SER 11 H SER 11 -38.620 1.972 -9.013 72 HA SER 11 HA SER 11 -40.194 -0.418 -8.574 73 1HB SER 11 1HB SER 11 -39.504 1.936 -6.763 74 2HB SER 11 2HB SER 11 -40.560 0.624 -6.280 75 HG SER 11 HG SER 11 -38.494 0.091 -5.547 76 H GLY 12 H GLY 12 -42.286 -0.401 -9.303 77 1HA GLY 12 1HA GLY 12 -43.596 2.196 -9.711 78 2HA GLY 12 2HA GLY 12 -44.047 0.661 -10.425 79 H CYS 13 H CYS 13 -43.770 2.320 -7.210 80 HA CYS 13 HA CYS 13 -45.068 2.300 -5.441 81 1HB CYS 13 1HB CYS 13 -47.131 1.246 -7.392 82 2HB CYS 13 2HB CYS 13 -47.498 1.545 -5.704 83 HG CYS 13 HG CYS 13 -48.357 3.575 -7.069 84 H ASN 14 H ASN 14 -43.647 0.766 -4.392 85 HA ASN 14 HA ASN 14 -44.315 -2.015 -4.731 86 1HB ASN 14 1HB ASN 14 -41.975 -0.470 -3.885 87 2HB ASN 14 2HB ASN 14 -42.348 -1.683 -2.676 88 1HD2 ASN 14 1HD2 ASN 14 -42.066 -3.809 -3.085 89 2HD2 ASN 14 2HD2 ASN 14 -41.358 -4.456 -4.527 90 H SER 15 H SER 15 -46.118 0.050 -3.368 91 HA SER 15 HA SER 15 -47.289 0.352 -1.556 92 1HB SER 15 1HB SER 15 -48.092 -1.694 -0.396 93 2HB SER 15 2HB SER 15 -48.107 -1.886 -2.138 94 HG SER 15 HG SER 15 -47.141 -3.748 -1.434 95 H HIS 16 H HIS 16 -45.843 1.747 -0.393 96 HA HIS 16 HA HIS 16 -44.110 0.403 1.531 97 1HB HIS 16 1HB HIS 16 -43.160 2.748 1.799 98 2HB HIS 16 2HB HIS 16 -42.848 1.923 0.285 99 HD1 HIS 16 HD1 HIS 16 -42.691 3.866 -1.321 100 HD2 HIS 16 HD2 HIS 16 -46.135 4.023 1.069 101 HE1 HIS 16 HE1 HIS 16 -44.103 5.788 -2.227 102 H MET 17 H MET 17 -46.725 0.049 2.189 103 HA MET 17 HA MET 17 -47.739 2.206 3.696 104 1HB MET 17 1HB MET 17 -48.557 -0.430 2.810 105 2HB MET 17 2HB MET 17 -48.804 -0.365 4.544 106 1HG MET 17 1HG MET 17 -49.761 2.130 3.636 107 2HG MET 17 2HG MET 17 -50.288 1.006 2.399 108 1HE MET 17 1HE MET 17 -52.954 -0.212 3.000 109 2HE MET 17 2HE MET 17 -53.515 1.109 4.053 110 3HE MET 17 3HE MET 17 -52.433 1.460 2.684 111 HA PRO 18 HA PRO 18 -46.070 -0.392 7.300 112 1HB PRO 18 1HB PRO 18 -44.397 -2.496 6.808 113 2HB PRO 18 2HB PRO 18 -46.122 -2.681 7.053 114 1HG PRO 18 1HG PRO 18 -44.583 -2.823 4.534 115 2HG PRO 18 2HG PRO 18 -46.199 -3.412 4.867 116 1HD PRO 18 1HD PRO 18 -45.503 -1.037 3.418 117 2HD PRO 18 2HD PRO 18 -47.117 -1.565 3.851 118 H TYR 19 H TYR 19 -45.124 1.734 7.386 119 HA TYR 19 HA TYR 19 -42.459 2.000 6.415 120 1HB TYR 19 1HB TYR 19 -44.531 3.482 8.071 121 2HB TYR 19 2HB TYR 19 -42.874 4.028 8.233 122 HD1 TYR 19 HD1 TYR 19 -41.651 4.202 5.759 123 HD2 TYR 19 HD2 TYR 19 -45.822 4.687 6.580 124 HE1 TYR 19 HE1 TYR 19 -41.911 5.596 3.649 125 HE2 TYR 19 HE2 TYR 19 -46.068 6.080 4.468 126 HH TYR 19 HH TYR 19 -44.792 6.202 2.235 127 H GLY 20 H GLY 20 -41.877 -0.176 7.620 128 1HA GLY 20 1HA GLY 20 -41.519 -0.068 10.439 129 2HA GLY 20 2HA GLY 20 -40.836 -1.231 9.320 130 H TYR 21 H TYR 21 -40.004 1.672 7.951 131 HA TYR 21 HA TYR 21 -37.301 1.443 8.620 132 1HB TYR 21 1HB TYR 21 -39.226 3.367 7.281 133 2HB TYR 21 2HB TYR 21 -37.657 4.026 7.698 134 HD1 TYR 21 HD1 TYR 21 -35.584 3.065 6.675 135 HD2 TYR 21 HD2 TYR 21 -39.493 1.837 5.445 136 HE1 TYR 21 HE1 TYR 21 -34.610 2.076 4.545 137 HE2 TYR 21 HE2 TYR 21 -38.506 0.852 3.319 138 HH TYR 21 HH TYR 21 -35.926 -0.093 2.803 139 H ALA 22 H ALA 22 -39.996 3.081 10.200 140 HA ALA 22 HA ALA 22 -38.520 5.045 11.554 141 1HB ALA 22 1HB ALA 22 -41.183 4.316 11.255 142 2HB ALA 22 2HB ALA 22 -40.860 3.962 12.969 143 3HB ALA 22 3HB ALA 22 -40.570 5.597 12.329 144 H ALA 23 H ALA 23 -39.243 1.592 12.200 145 HA ALA 23 HA ALA 23 -38.106 1.708 14.831 146 1HB ALA 23 1HB ALA 23 -39.025 -0.556 13.018 147 2HB ALA 23 2HB ALA 23 -38.435 -0.789 14.681 148 3HB ALA 23 3HB ALA 23 -39.910 0.161 14.386 149 H GLN 24 H GLN 24 -36.826 1.870 11.719 150 HA GLN 24 HA GLN 24 -34.550 0.213 12.319 151 1HB GLN 24 1HB GLN 24 -35.727 1.476 9.906 152 2HB GLN 24 2HB GLN 24 -33.975 1.509 9.937 153 1HG GLN 24 1HG GLN 24 -35.373 -1.071 10.658 154 2HG GLN 24 2HG GLN 24 -35.306 -0.605 8.970 155 1HE2 GLN 24 1HE2 GLN 24 -33.812 -2.321 11.311 156 2HE2 GLN 24 2HE2 GLN 24 -32.187 -2.381 10.717 157 H ALA 25 H ALA 25 -35.560 3.243 13.223 158 HA ALA 25 HA ALA 25 -33.378 4.885 12.647 159 1HB ALA 25 1HB ALA 25 -35.498 4.840 14.815 160 2HB ALA 25 2HB ALA 25 -34.261 6.117 14.733 161 3HB ALA 25 3HB ALA 25 -35.398 5.891 13.382 162 H ARG 26 H ARG 26 -33.748 2.147 14.780 163 HA ARG 26 HA ARG 26 -31.809 2.938 16.643 164 1HB ARG 26 1HB ARG 26 -33.680 0.922 16.513 165 2HB ARG 26 2HB ARG 26 -32.228 0.012 16.145 166 1HG ARG 26 1HG ARG 26 -31.770 -0.047 18.365 167 2HG ARG 26 2HG ARG 26 -31.483 1.681 18.307 168 1HD ARG 26 1HD ARG 26 -34.317 1.394 18.355 169 2HD ARG 26 2HD ARG 26 -33.714 0.231 19.518 170 HE ARG 26 HE ARG 26 -32.387 2.805 19.798 171 1HH1 ARG 26 2HH2 ARG 26 -35.341 1.036 20.633 172 2HH1 ARG 26 1HH2 ARG 26 -35.680 2.011 22.024 173 1HH2 ARG 26 1HH ARG 26 -34.192 3.801 22.593 174 H ALA 27 H ALA 27 -31.783 1.327 13.472 175 HA ALA 27 HA ALA 27 -29.182 0.228 13.696 176 1HB ALA 27 1HB ALA 27 -30.477 0.992 11.082 177 2HB ALA 27 2HB ALA 27 -29.526 -0.455 11.493 178 3HB ALA 27 3HB ALA 27 -31.198 -0.292 12.081 179 H ARG 28 H ARG 28 -30.541 3.399 12.835 180 HA ARG 28 HA ARG 28 -28.358 4.367 11.462 181 1HB ARG 28 1HB ARG 28 -30.856 5.336 12.259 182 2HB ARG 28 2HB ARG 28 -29.758 6.355 13.168 183 1HG ARG 28 1HG ARG 28 -28.487 6.501 10.800 184 2HG ARG 28 2HG ARG 28 -30.075 6.095 10.180 185 1HD ARG 28 1HD ARG 28 -30.058 8.482 10.239 186 2HD ARG 28 2HD ARG 28 -30.992 8.022 11.649 187 HE ARG 28 HE ARG 28 -28.134 8.295 12.220 188 1HH1 ARG 28 2HH2 ARG 28 -31.200 10.053 11.963 189 2HH1 ARG 28 1HH2 ARG 28 -30.687 11.347 12.994 190 1HH2 ARG 28 1HH ARG 28 -28.483 11.296 13.934 191 H GLU 29 H GLU 29 -29.019 3.939 14.928 192 HA GLU 29 HA GLU 29 -26.880 5.651 15.715 193 1HB GLU 29 1HB GLU 29 -29.131 4.363 16.970 194 2HB GLU 29 2HB GLU 29 -27.688 3.888 17.843 195 1HG GLU 29 1HG GLU 29 -27.165 6.088 18.475 196 2HG GLU 29 2HG GLU 29 -27.988 6.796 17.099 197 HE2 GLU 29 HE2 GLU 29 -29.416 6.825 20.497 198 H ARG 30 H ARG 30 -27.337 2.280 14.834 199 HA ARG 30 HA ARG 30 -24.901 1.508 16.139 200 1HB ARG 30 1HB ARG 30 -27.192 0.130 14.808 201 2HB ARG 30 2HB ARG 30 -25.643 -0.657 14.577 202 1HG ARG 30 1HG ARG 30 -25.460 -0.158 17.246 203 2HG ARG 30 2HG ARG 30 -27.205 -0.238 17.108 204 1HD ARG 30 1HD ARG 30 -27.201 -2.498 16.492 205 2HD ARG 30 2HD ARG 30 -25.618 -2.408 15.747 206 HE ARG 30 HE ARG 30 -25.035 -1.945 18.396 207 1HH1 ARG 30 2HH2 ARG 30 -26.896 -4.483 16.768 208 2HH1 ARG 30 1HH2 ARG 30 -26.543 -5.683 17.965 209 1HH2 ARG 30 1HH ARG 30 -25.173 -5.100 19.843 210 H GLU 31 H GLU 31 -26.149 2.453 12.960 211 HA GLU 31 HA GLU 31 -24.118 1.315 11.427 212 1HB GLU 31 1HB GLU 31 -26.444 2.944 11.015 213 2HB GLU 31 2HB GLU 31 -25.108 3.747 10.215 214 1HG GLU 31 1HG GLU 31 -25.192 0.796 9.803 215 2HG GLU 31 2HG GLU 31 -26.563 1.659 9.133 216 HE2 GLU 31 HE2 GLU 31 -23.739 1.107 7.064 217 H ARG 32 H ARG 32 -24.174 4.005 13.619 218 HA ARG 32 HA ARG 32 -22.369 5.684 12.410 219 1HB ARG 32 1HB ARG 32 -23.723 5.525 14.884 220 2HB ARG 32 2HB ARG 32 -22.030 5.519 15.337 221 1HG ARG 32 1HG ARG 32 -22.914 7.519 13.260 222 2HG ARG 32 2HG ARG 32 -23.385 7.812 14.922 223 1HD ARG 32 1HD ARG 32 -20.778 7.234 15.368 224 2HD ARG 32 2HD ARG 32 -20.628 7.774 13.707 225 HE ARG 32 HE ARG 32 -22.167 9.763 14.826 226 1HH1 ARG 32 2HH2 ARG 32 -19.096 8.286 15.796 227 2HH1 ARG 32 1HH2 ARG 32 -18.512 9.717 16.578 228 1HH2 ARG 32 1HH ARG 32 -19.882 11.684 16.601 229 H LEU 33 H LEU 33 -21.965 2.585 14.068 230 HA LEU 33 HA LEU 33 -19.101 2.970 14.335 231 1HB LEU 33 1HB LEU 33 -21.053 1.549 15.744 232 2HB LEU 33 2HB LEU 33 -20.107 0.319 14.931 233 HG LEU 33 HG LEU 33 -18.072 1.737 15.912 234 1HD1 LEU 33 1HD1 LEU 33 -18.558 3.270 17.438 235 2HD1 LEU 33 2HD1 LEU 33 -20.288 3.032 17.093 236 3HD1 LEU 33 3HD1 LEU 33 -19.499 2.089 18.380 237 1HD2 LEU 33 1HD2 LEU 33 -19.313 -0.682 16.499 238 2HD2 LEU 33 2HD2 LEU 33 -17.717 -0.133 17.064 239 3HD2 LEU 33 3HD2 LEU 33 -19.157 0.127 18.077 240 H ALA 34 H ALA 34 -21.388 1.954 11.990 241 HA ALA 34 HA ALA 34 -19.675 -0.016 10.775 242 1HB ALA 34 1HB ALA 34 -21.472 -0.336 9.268 243 2HB ALA 34 2HB ALA 34 -22.259 0.048 10.818 244 3HB ALA 34 3HB ALA 34 -22.119 1.297 9.557 245 H HIS 35 H HIS 35 -19.308 3.205 11.163 246 HA HIS 35 HA HIS 35 -18.694 3.812 8.399 247 1HB HIS 35 1HB HIS 35 -19.656 5.304 10.529 248 2HB HIS 35 2HB HIS 35 -17.980 5.807 10.425 249 HD1 HIS 35 HD1 HIS 35 -18.801 8.174 9.593 250 HD2 HIS 35 HD2 HIS 35 -19.715 4.983 7.028 251 HE1 HIS 35 HE1 HIS 35 -19.484 9.219 7.367 252 H SER 36 H SER 36 -17.211 2.366 11.115 253 HA SER 36 HA SER 36 -14.597 3.374 10.462 254 1HB SER 36 1HB SER 36 -13.840 2.167 12.422 255 2HB SER 36 2HB SER 36 -15.325 2.996 12.841 256 HG SER 36 HG SER 36 -16.484 0.982 12.511 257 H ARG 37 H ARG 37 -16.735 0.745 9.657 258 HA ARG 37 HA ARG 37 -14.566 -0.991 8.940 259 1HB ARG 37 1HB ARG 37 -17.142 -1.472 9.800 260 2HB ARG 37 2HB ARG 37 -17.356 -1.645 8.070 261 1HG ARG 37 1HG ARG 37 -16.718 -3.818 8.579 262 2HG ARG 37 2HG ARG 37 -15.136 -3.133 8.268 263 1HD ARG 37 1HD ARG 37 -15.991 -2.706 11.061 264 2HD ARG 37 2HD ARG 37 -15.954 -4.406 10.639 265 HE ARG 37 HE ARG 37 -13.575 -2.956 9.739 266 1HH1 ARG 37 2HH2 ARG 37 -15.040 -4.679 12.466 267 2HH1 ARG 37 1HH2 ARG 37 -13.520 -5.057 13.205 268 1HH2 ARG 37 1HH ARG 37 -11.492 -4.327 12.156 269 H ALA 38 H ALA 38 -15.461 1.768 7.626 270 HA ALA 38 HA ALA 38 -16.428 1.300 5.084 271 1HB ALA 38 1HB ALA 38 -15.273 3.486 4.565 272 2HB ALA 38 2HB ALA 38 -16.296 3.522 6.022 273 3HB ALA 38 3HB ALA 38 -14.526 3.407 6.179 274 H ALA 39 H ALA 39 -12.966 1.615 6.160 275 HA ALA 39 HA ALA 39 -11.977 0.817 3.627 276 1HB ALA 39 1HB ALA 39 -10.649 2.235 5.049 277 2HB ALA 39 2HB ALA 39 -10.745 1.075 6.395 278 3HB ALA 39 3HB ALA 39 -9.810 0.669 4.936 279 H ALA 40 H ALA 40 -10.514 -1.164 3.377 280 HA ALA 40 HA ALA 40 -12.017 -3.459 3.769 281 1HB ALA 40 1HB ALA 40 -9.865 -4.606 3.108 282 2HB ALA 40 2HB ALA 40 -10.366 -3.294 2.015 283 3HB ALA 40 3HB ALA 40 -9.062 -3.020 3.196 284 H ALA 41 H ALA 41 -8.927 -2.484 5.430 285 HA ALA 41 HA ALA 41 -8.292 -2.758 7.547 286 1HB ALA 41 1HB ALA 41 -10.843 -2.407 7.986 287 2HB ALA 41 2HB ALA 41 -10.873 -4.167 8.247 288 3HB ALA 41 3HB ALA 41 -9.844 -3.133 9.267 289 H ALA 42 H ALA 42 -10.438 -5.642 7.000 290 HA ALA 42 HA ALA 42 -8.723 -7.496 8.050 291 1HB ALA 42 1HB ALA 42 -10.258 -8.388 5.682 292 2HB ALA 42 2HB ALA 42 -10.330 -8.949 7.370 293 3HB ALA 42 3HB ALA 42 -11.212 -7.482 6.880 294 H ALA 43 H ALA 43 -9.040 -6.477 4.576 295 HA ALA 43 HA ALA 43 -7.146 -8.092 3.483 296 1HB ALA 43 1HB ALA 43 -8.730 -6.313 2.446 297 2HB ALA 43 2HB ALA 43 -7.396 -5.169 2.734 298 3HB ALA 43 3HB ALA 43 -7.148 -6.578 1.675 299 H VAL 44 H VAL 44 -6.726 -5.452 5.766 300 HA VAL 44 HA VAL 44 -3.859 -5.381 5.222 301 HB VAL 44 HB VAL 44 -5.873 -3.555 6.288 302 1HG1 VAL 44 1HG1 VAL 44 -4.967 -3.808 8.433 303 2HG1 VAL 44 2HG1 VAL 44 -3.309 -4.004 7.816 304 3HG1 VAL 44 3HG1 VAL 44 -4.092 -2.406 7.771 305 1HG2 VAL 44 1HG2 VAL 44 -3.778 -3.555 4.408 306 2HG2 VAL 44 2HG2 VAL 44 -4.860 -2.206 4.828 307 3HG2 VAL 44 3HG2 VAL 44 -3.299 -2.387 5.663 308 H ALA 45 H ALA 45 -6.313 -6.487 7.541 309 HA ALA 45 HA ALA 45 -4.929 -6.811 9.828 310 1HB ALA 45 1HB ALA 45 -7.285 -7.429 9.500 311 2HB ALA 45 2HB ALA 45 -6.797 -8.806 8.484 312 3HB ALA 45 3HB ALA 45 -6.381 -8.786 10.214 313 H ALA 46 H ALA 46 -5.034 -9.286 7.158 314 HA ALA 46 HA ALA 46 -3.009 -10.859 8.293 315 1HB ALA 46 1HB ALA 46 -3.882 -10.646 5.385 316 2HB ALA 46 2HB ALA 46 -3.066 -12.026 6.157 317 3HB ALA 46 3HB ALA 46 -4.728 -11.598 6.628 318 H ALA 47 H ALA 47 -2.974 -8.428 5.593 319 HA ALA 47 HA ALA 47 -0.273 -8.602 5.038 320 1HB ALA 47 1HB ALA 47 -2.531 -6.824 4.486 321 2HB ALA 47 2HB ALA 47 -0.995 -5.933 4.612 322 3HB ALA 47 3HB ALA 47 -1.155 -7.270 3.448 323 H THR 48 H THR 48 0.932 -6.132 5.359 324 HA THR 48 HA THR 48 2.392 -5.296 6.867 325 HB THR 48 HB THR 48 1.168 -3.749 8.421 326 HG1 THR 48 HG1 THR 48 -0.733 -4.651 9.106 327 1HG2 THR 48 1HG2 THR 48 0.319 -4.117 5.562 328 2HG2 THR 48 2HG2 THR 48 -0.744 -3.114 6.578 329 3HG2 THR 48 3HG2 THR 48 0.967 -2.669 6.369 330 H ALA 49 H ALA 49 2.843 -7.773 7.311 331 HA ALA 49 HA ALA 49 2.007 -9.093 9.508 332 1HB ALA 49 1HB ALA 49 4.923 -9.188 9.243 333 2HB ALA 49 2HB ALA 49 3.711 -10.454 8.936 334 3HB ALA 49 3HB ALA 49 4.101 -9.269 7.667 335 H ALA 50 H ALA 50 3.094 -9.396 11.685 336 HA ALA 50 HA ALA 50 3.403 -6.784 12.880 337 1HB ALA 50 1HB ALA 50 3.418 -8.173 14.995 338 2HB ALA 50 2HB ALA 50 1.961 -8.365 13.992 339 3HB ALA 50 3HB ALA 50 3.226 -9.617 13.972 340 H VAL 51 H VAL 51 5.477 -7.047 11.140 341 HA VAL 51 HA VAL 51 7.685 -7.420 10.904 342 HB VAL 51 HB VAL 51 7.147 -5.284 12.313 343 1HG1 VAL 51 1HG1 VAL 51 9.060 -6.216 14.333 344 2HG1 VAL 51 2HG1 VAL 51 7.563 -5.273 14.519 345 3HG1 VAL 51 3HG1 VAL 51 7.489 -7.048 14.412 346 1HG2 VAL 51 1HG2 VAL 51 10.018 -6.229 12.346 347 2HG2 VAL 51 2HG2 VAL 51 9.171 -5.840 10.829 348 3HG2 VAL 51 3HG2 VAL 51 9.383 -4.588 12.076 349 H GLU 52 H GLU 52 6.537 -9.819 11.732 350 HA GLU 52 HA GLU 52 8.612 -10.764 13.549 351 1HB GLU 52 1HB GLU 52 6.023 -10.652 14.313 352 2HB GLU 52 2HB GLU 52 5.970 -12.192 13.478 353 1HG GLU 52 1HG GLU 52 8.167 -12.719 14.875 354 2HG GLU 52 2HG GLU 52 7.611 -11.413 15.903 355 HE2 GLU 52 HE2 GLU 52 6.121 -13.063 17.746 356 H GLY 53 H GLY 53 9.277 -13.042 13.190 357 1HA GLY 53 1HA GLY 53 9.248 -15.009 11.910 358 2HA GLY 53 2HA GLY 53 8.448 -14.161 10.601 359 H THR 54 H THR 54 11.541 -14.834 12.203 360 HA THR 54 HA THR 54 13.058 -13.085 10.507 361 HB THR 54 HB THR 54 13.710 -13.685 12.854 362 HG1 THR 54 HG1 THR 54 15.392 -14.832 10.737 363 1HG2 THR 54 1HG2 THR 54 13.192 -16.370 11.935 364 2HG2 THR 54 2HG2 THR 54 14.937 -16.239 12.260 365 3HG2 THR 54 3HG2 THR 54 13.761 -15.861 13.542 366 H GLY 55 H GLY 55 13.979 -13.455 8.569 367 1HA GLY 55 1HA GLY 55 13.466 -16.096 7.378 368 2HA GLY 55 2HA GLY 55 13.736 -14.592 6.521 369 H GLY 56 H GLY 56 15.286 -16.303 5.419 370 1HA GLY 56 1HA GLY 56 17.619 -16.072 4.964 371 2HA GLY 56 2HA GLY 56 17.931 -15.965 6.685 372 H SER 57 H SER 57 17.214 -18.119 3.963 373 HA SER 57 HA SER 57 16.833 -20.438 5.450 374 1HB SER 57 1HB SER 57 16.144 -20.410 3.151 375 2HB SER 57 2HB SER 57 17.728 -19.908 2.596 376 HG SER 57 HG SER 57 17.801 -22.305 4.031 377 H GLY 58 H GLY 58 18.308 -21.376 6.815 378 1HA GLY 58 1HA GLY 58 21.167 -20.952 6.278 379 2HA GLY 58 2HA GLY 58 20.439 -21.422 7.801 380 H GLY 59 H GLY 59 22.651 -22.738 6.304 381 1HA GLY 59 1HA GLY 59 22.598 -25.255 6.789 382 2HA GLY 59 2HA GLY 59 21.386 -25.282 5.524 383 H GLY 60 H GLY 60 23.853 -26.706 5.330 384 1HA GLY 60 1HA GLY 60 24.959 -25.410 2.948 385 2HA GLY 60 2HA GLY 60 26.060 -25.801 4.253 386 HA PRO 61 HA PRO 61 25.169 -29.529 1.611 387 1HB PRO 61 1HB PRO 61 27.228 -29.480 -0.185 388 2HB PRO 61 2HB PRO 61 25.616 -28.902 -0.559 389 1HG PRO 61 1HG PRO 61 28.062 -27.339 -0.003 390 2HG PRO 61 2HG PRO 61 26.580 -26.819 -0.780 391 1HD PRO 61 1HD PRO 61 27.398 -26.250 1.910 392 2HD PRO 61 2HD PRO 61 25.867 -25.830 1.169 393 H HIS 62 H HIS 62 25.988 -31.586 1.967 394 HA HIS 62 HA HIS 62 28.621 -31.568 3.213 395 1HB HIS 62 1HB HIS 62 27.873 -32.927 5.068 396 2HB HIS 62 2HB HIS 62 27.001 -31.407 5.041 397 HD1 HIS 62 HD1 HIS 62 25.596 -33.430 6.631 398 HD2 HIS 62 HD2 HIS 62 25.152 -33.287 2.462 399 HE1 HIS 62 HE1 HIS 62 23.407 -34.632 6.104 400 H HIS 63 H HIS 63 29.302 -32.438 1.138 401 HA HIS 63 HA HIS 63 28.252 -34.438 -0.272 402 1HB HIS 63 1HB HIS 63 30.393 -33.160 -0.675 403 2HB HIS 63 2HB HIS 63 31.198 -34.277 0.408 404 HD1 HIS 63 HD1 HIS 63 32.633 -35.628 -1.157 405 HD2 HIS 63 HD2 HIS 63 28.671 -35.302 -2.495 406 HE1 HIS 63 HE1 HIS 63 32.442 -37.143 -3.201 407 H HIS 64 H HIS 64 28.352 -36.761 -0.320 408 HA HIS 64 HA HIS 64 28.267 -37.869 2.323 409 1HB HIS 64 1HB HIS 64 27.677 -39.976 0.981 410 2HB HIS 64 2HB HIS 64 26.541 -38.642 0.981 411 HD1 HIS 64 HD1 HIS 64 26.612 -37.056 -1.241 412 HD2 HIS 64 HD2 HIS 64 28.519 -40.781 -1.519 413 HE1 HIS 64 HE1 HIS 64 26.913 -37.521 -3.732 414 H HIS 65 H HIS 65 30.074 -38.615 -0.747 415 HA HIS 65 HA HIS 65 31.931 -39.772 -1.067 416 1HB HIS 65 1HB HIS 65 33.904 -38.889 0.113 417 2HB HIS 65 2HB HIS 65 32.856 -37.626 -0.501 418 HD1 HIS 65 HD1 HIS 65 31.598 -36.136 1.238 419 HD2 HIS 65 HD2 HIS 65 34.083 -39.057 2.937 420 HE1 HIS 65 HE1 HIS 65 31.826 -35.532 3.707 421 H GLN 66 H GLN 66 31.221 -41.904 -0.613 422 HA GLN 66 HA GLN 66 31.521 -42.790 2.115 423 1HB GLN 66 1HB GLN 66 29.568 -43.382 0.460 424 2HB GLN 66 2HB GLN 66 30.694 -44.541 -0.219 425 1HG GLN 66 1HG GLN 66 30.547 -45.941 1.591 426 2HG GLN 66 2HG GLN 66 30.590 -44.621 2.743 427 1HE2 GLN 66 1HE2 GLN 66 28.932 -45.171 4.017 428 2HE2 GLN 66 2HE2 GLN 66 27.274 -45.271 3.527 429 H THR 67 H THR 67 32.442 -45.283 2.137 430 HA THR 67 HA THR 67 35.194 -45.001 1.557 431 HB THR 67 HB THR 67 34.937 -47.610 2.175 432 HG1 THR 67 HG1 THR 67 32.848 -47.831 3.265 433 1HG2 THR 67 1HG2 THR 67 34.700 -47.014 4.582 434 2HG2 THR 67 2HG2 THR 67 35.819 -45.888 3.777 435 3HG2 THR 67 3HG2 THR 67 34.149 -45.383 4.128 436 H ARG 68 H ARG 68 36.525 -45.933 0.011 437 HA ARG 68 HA ARG 68 35.632 -47.781 -1.826 438 1HB ARG 68 1HB ARG 68 34.298 -45.644 -2.533 439 2HB ARG 68 2HB ARG 68 35.836 -45.011 -3.085 440 1HG ARG 68 1HG ARG 68 35.334 -47.779 -4.011 441 2HG ARG 68 2HG ARG 68 34.120 -46.645 -4.567 442 1HD ARG 68 1HD ARG 68 36.768 -45.447 -4.833 443 2HD ARG 68 2HD ARG 68 36.752 -47.018 -5.611 444 HE ARG 68 HE ARG 68 35.170 -44.652 -6.393 445 1HH1 ARG 68 2HH2 ARG 68 35.642 -48.142 -6.783 446 2HH1 ARG 68 1HH2 ARG 68 34.803 -48.212 -8.297 447 1HH2 ARG 68 1HH ARG 68 33.883 -46.202 -9.223 448 H GLY 69 H GLY 69 37.656 -48.757 -1.803 449 1HA GLY 69 1HA GLY 69 39.805 -47.559 -3.213 450 2HA GLY 69 2HA GLY 69 40.096 -47.474 -1.488 451 H ALA 70 H ALA 70 38.881 -49.859 -3.956 452 HA ALA 70 HA ALA 70 39.852 -52.049 -2.372 453 1HB ALA 70 1HB ALA 70 39.036 -53.358 -4.386 454 2HB ALA 70 2HB ALA 70 37.803 -52.343 -3.601 455 3HB ALA 70 3HB ALA 70 38.565 -51.805 -5.117 456 H TYR 71 H TYR 71 41.982 -52.546 -2.281 457 HA TYR 71 HA TYR 71 43.703 -51.693 -4.452 458 1HB TYR 71 1HB TYR 71 45.425 -52.574 -2.771 459 2HB TYR 71 2HB TYR 71 44.361 -51.367 -2.076 460 HD1 TYR 71 HD1 TYR 71 44.932 -55.041 -2.321 461 HD2 TYR 71 HD2 TYR 71 43.017 -51.865 -0.188 462 HE1 TYR 71 HE1 TYR 71 44.291 -56.661 -0.469 463 HE2 TYR 71 HE2 TYR 71 42.382 -53.496 1.656 464 HH TYR 71 HH TYR 71 43.071 -55.566 2.541 465 H SER 72 H SER 72 45.090 -53.111 -5.646 466 HA SER 72 HA SER 72 43.840 -55.614 -6.155 467 1HB SER 72 1HB SER 72 44.865 -54.069 -7.908 468 2HB SER 72 2HB SER 72 46.445 -54.530 -7.306 469 HG SER 72 HG SER 72 45.355 -55.768 -9.209 470 H SER 73 H SER 73 47.236 -54.602 -5.293 471 HA SER 73 HA SER 73 48.795 -55.566 -4.132 472 1HB SER 73 1HB SER 73 46.875 -55.671 -2.407 473 2HB SER 73 2HB SER 73 46.711 -57.363 -2.833 474 HG SER 73 HG SER 73 48.351 -56.383 -1.025 475 H HIS 74 H HIS 74 50.241 -57.410 -4.215 476 HA HIS 74 HA HIS 74 49.217 -59.805 -5.464 477 1HB HIS 74 1HB HIS 74 50.162 -57.882 -7.133 478 2HB HIS 74 2HB HIS 74 51.652 -58.733 -6.776 479 HD1 HIS 74 HD1 HIS 74 52.130 -60.388 -8.572 480 HD2 HIS 74 HD2 HIS 74 48.028 -60.136 -7.729 481 HE1 HIS 74 HE1 HIS 74 50.981 -62.081 -10.096 482 H ASP 75 H ASP 75 49.691 -60.566 -3.264 483 HA ASP 75 HA ASP 75 52.451 -61.358 -3.120 484 1HB ASP 75 1HB ASP 75 52.131 -59.196 -1.761 485 2HB ASP 75 2HB ASP 75 51.054 -60.101 -0.716 486 HD2 ASP 75 HD2 ASP 75 52.346 -60.872 1.173 Start of MODEL 8 1 H MET 1 H MET 1 -22.711 -20.059 14.168 2 HA MET 1 HA MET 1 -24.276 -19.160 12.005 3 1HB MET 1 1HB MET 1 -26.145 -20.119 13.347 4 2HB MET 1 2HB MET 1 -24.774 -21.210 13.371 5 1HG MET 1 1HG MET 1 -24.305 -19.497 15.563 6 2HG MET 1 2HG MET 1 -26.037 -19.759 15.601 7 1HE MET 1 1HE MET 1 -25.145 -20.544 17.906 8 2HE MET 1 2HE MET 1 -24.732 -22.242 18.244 9 3HE MET 1 3HE MET 1 -23.465 -21.103 17.726 10 H GLU 2 H GLU 2 -26.176 -17.684 12.169 11 HA GLU 2 HA GLU 2 -25.399 -15.321 13.528 12 1HB GLU 2 1HB GLU 2 -27.246 -16.090 11.400 13 2HB GLU 2 2HB GLU 2 -28.031 -14.996 12.522 14 1HG GLU 2 1HG GLU 2 -26.166 -13.373 12.289 15 2HG GLU 2 2HG GLU 2 -25.309 -14.479 11.233 16 HE2 GLU 2 HE2 GLU 2 -25.736 -14.310 9.209 17 H VAL 3 H VAL 3 -27.183 -14.031 14.800 18 HA VAL 3 HA VAL 3 -27.888 -15.645 17.029 19 HB VAL 3 HB VAL 3 -27.141 -13.199 16.940 20 1HG1 VAL 3 1HG1 VAL 3 -29.873 -12.201 16.954 21 2HG1 VAL 3 2HG1 VAL 3 -28.452 -11.621 16.052 22 3HG1 VAL 3 3HG1 VAL 3 -29.455 -12.932 15.386 23 1HG2 VAL 3 1HG2 VAL 3 -28.395 -14.642 18.845 24 2HG2 VAL 3 2HG2 VAL 3 -27.892 -12.950 19.069 25 3HG2 VAL 3 3HG2 VAL 3 -29.577 -13.328 18.639 26 H ALA 4 H ALA 4 -30.333 -14.996 17.924 27 HA ALA 4 HA ALA 4 -32.022 -16.528 16.255 28 1HB ALA 4 1HB ALA 4 -32.195 -15.084 18.876 29 2HB ALA 4 2HB ALA 4 -33.720 -15.504 18.059 30 3HB ALA 4 3HB ALA 4 -32.555 -16.782 18.482 31 H MET 5 H MET 5 -34.211 -15.751 15.483 32 HA MET 5 HA MET 5 -33.790 -13.227 14.144 33 1HB MET 5 1HB MET 5 -35.694 -15.590 13.815 34 2HB MET 5 2HB MET 5 -36.019 -14.082 12.983 35 1HG MET 5 1HG MET 5 -33.302 -15.440 12.768 36 2HG MET 5 2HG MET 5 -34.629 -15.900 11.721 37 1HE MET 5 1HE MET 5 -32.953 -14.418 9.212 38 2HE MET 5 2HE MET 5 -34.244 -15.502 9.785 39 3HE MET 5 3HE MET 5 -34.659 -13.943 9.033 40 H VAL 6 H VAL 6 -34.344 -11.518 15.485 41 HA VAL 6 HA VAL 6 -36.551 -11.720 17.278 42 HB VAL 6 HB VAL 6 -34.964 -9.306 16.386 43 1HG1 VAL 6 1HG1 VAL 6 -36.879 -8.522 17.515 44 2HG1 VAL 6 2HG1 VAL 6 -36.820 -9.837 18.714 45 3HG1 VAL 6 3HG1 VAL 6 -35.599 -8.541 18.753 46 1HG2 VAL 6 1HG2 VAL 6 -33.397 -9.724 18.092 47 2HG2 VAL 6 2HG2 VAL 6 -34.430 -10.949 18.867 48 3HG2 VAL 6 3HG2 VAL 6 -33.639 -11.306 17.312 49 H SER 7 H SER 7 -38.302 -9.912 17.226 50 HA SER 7 HA SER 7 -40.025 -9.016 16.259 51 1HB SER 7 1HB SER 7 -38.229 -8.853 13.800 52 2HB SER 7 2HB SER 7 -39.806 -8.097 13.903 53 HG SER 7 HG SER 7 -37.538 -7.003 14.640 54 H ALA 8 H ALA 8 -41.377 -10.870 16.413 55 HA ALA 8 HA ALA 8 -41.229 -13.040 14.651 56 1HB ALA 8 1HB ALA 8 -42.537 -12.429 16.993 57 2HB ALA 8 2HB ALA 8 -43.873 -12.404 15.818 58 3HB ALA 8 3HB ALA 8 -42.867 -13.862 15.990 59 H GLU 9 H GLU 9 -41.270 -12.640 12.461 60 HA GLU 9 HA GLU 9 -42.451 -10.640 11.162 61 1HB GLU 9 1HB GLU 9 -41.013 -12.376 10.119 62 2HB GLU 9 2HB GLU 9 -42.313 -13.544 10.237 63 1HG GLU 9 1HG GLU 9 -43.322 -12.753 8.358 64 2HG GLU 9 2HG GLU 9 -43.253 -11.098 8.930 65 HE2 GLU 9 HE2 GLU 9 -41.775 -13.413 7.041 66 H SER 10 H SER 10 -44.493 -10.197 10.155 67 HA SER 10 HA SER 10 -46.633 -11.986 10.979 68 1HB SER 10 1HB SER 10 -46.218 -9.626 12.283 69 2HB SER 10 2HB SER 10 -47.230 -9.052 10.972 70 HG SER 10 HG SER 10 -48.501 -9.704 12.814 71 H SER 11 H SER 11 -48.370 -12.145 9.462 72 HA SER 11 HA SER 11 -47.917 -10.623 7.015 73 1HB SER 11 1HB SER 11 -47.655 -13.381 7.300 74 2HB SER 11 2HB SER 11 -49.292 -13.225 6.695 75 HG SER 11 HG SER 11 -48.568 -12.273 4.816 76 H GLY 12 H GLY 12 -49.553 -9.111 6.963 77 1HA GLY 12 1HA GLY 12 -51.910 -8.962 6.309 78 2HA GLY 12 2HA GLY 12 -52.277 -10.062 7.623 79 H CYS 13 H CYS 13 -52.056 -6.789 6.703 80 HA CYS 13 HA CYS 13 -52.634 -5.975 9.383 81 1HB CYS 13 1HB CYS 13 -49.955 -5.901 8.736 82 2HB CYS 13 2HB CYS 13 -50.471 -4.280 8.315 83 HG CYS 13 HG CYS 13 -49.975 -3.647 10.582 84 H ASN 14 H ASN 14 -54.665 -5.521 8.244 85 HA ASN 14 HA ASN 14 -54.462 -3.514 6.175 86 1HB ASN 14 1HB ASN 14 -56.337 -5.657 6.861 87 2HB ASN 14 2HB ASN 14 -57.202 -4.140 6.720 88 1HD2 ASN 14 1HD2 ASN 14 -57.640 -6.199 4.981 89 2HD2 ASN 14 2HD2 ASN 14 -57.074 -5.803 3.393 90 H SER 15 H SER 15 -53.947 -3.070 9.160 91 HA SER 15 HA SER 15 -55.801 -0.873 9.431 92 1HB SER 15 1HB SER 15 -56.255 -1.403 11.806 93 2HB SER 15 2HB SER 15 -56.834 -2.676 10.751 94 HG SER 15 HG SER 15 -55.406 -3.138 12.811 95 H HIS 16 H HIS 16 -53.845 0.335 8.806 96 HA HIS 16 HA HIS 16 -52.077 1.557 9.242 97 1HB HIS 16 1HB HIS 16 -52.992 2.515 11.125 98 2HB HIS 16 2HB HIS 16 -53.081 1.000 12.001 99 HD1 HIS 16 HD1 HIS 16 -51.175 0.446 13.584 100 HD2 HIS 16 HD2 HIS 16 -50.300 3.664 11.040 101 HE1 HIS 16 HE1 HIS 16 -48.979 1.441 14.420 102 H MET 17 H MET 17 -50.611 0.229 8.107 103 HA MET 17 HA MET 17 -49.595 -2.122 8.784 104 1HB MET 17 1HB MET 17 -48.722 0.231 7.239 105 2HB MET 17 2HB MET 17 -47.337 -0.619 7.895 106 1HG MET 17 1HG MET 17 -48.578 -2.787 6.984 107 2HG MET 17 2HG MET 17 -49.450 -1.647 5.979 108 1HE MET 17 1HE MET 17 -47.219 -0.810 3.216 109 2HE MET 17 2HE MET 17 -48.844 -1.087 3.888 110 3HE MET 17 3HE MET 17 -47.886 0.315 4.424 111 HA PRO 18 HA PRO 18 -47.094 -1.706 12.305 112 1HB PRO 18 1HB PRO 18 -45.178 -3.617 11.923 113 2HB PRO 18 2HB PRO 18 -46.798 -3.982 12.483 114 1HG PRO 18 1HG PRO 18 -45.620 -4.420 9.808 115 2HG PRO 18 2HG PRO 18 -47.054 -5.144 10.508 116 1HD PRO 18 1HD PRO 18 -46.970 -3.040 8.561 117 2HD PRO 18 2HD PRO 18 -48.398 -3.684 9.346 118 H TYR 19 H TYR 19 -44.758 -1.473 13.197 119 HA TYR 19 HA TYR 19 -43.736 0.808 11.897 120 1HB TYR 19 1HB TYR 19 -42.798 -1.191 14.035 121 2HB TYR 19 2HB TYR 19 -41.810 0.193 13.611 122 HD1 TYR 19 HD1 TYR 19 -42.337 2.396 14.411 123 HD2 TYR 19 HD2 TYR 19 -45.044 -0.846 15.095 124 HE1 TYR 19 HE1 TYR 19 -43.636 3.821 16.068 125 HE2 TYR 19 HE2 TYR 19 -46.334 0.590 16.749 126 HH TYR 19 HH TYR 19 -45.173 3.179 18.174 127 H GLY 20 H GLY 20 -41.496 1.079 11.068 128 1HA GLY 20 1HA GLY 20 -40.122 -1.300 10.152 129 2HA GLY 20 2HA GLY 20 -40.887 -0.365 8.883 130 H TYR 21 H TYR 21 -39.858 1.444 8.077 131 HA TYR 21 HA TYR 21 -37.228 1.919 8.502 132 1HB TYR 21 1HB TYR 21 -39.150 2.859 6.868 133 2HB TYR 21 2HB TYR 21 -39.273 4.151 8.045 134 HD1 TYR 21 HD1 TYR 21 -37.873 3.338 5.001 135 HD2 TYR 21 HD2 TYR 21 -36.776 5.094 8.746 136 HE1 TYR 21 HE1 TYR 21 -35.948 4.558 3.874 137 HE2 TYR 21 HE2 TYR 21 -34.854 6.307 7.606 138 HH TYR 21 HH TYR 21 -34.572 7.065 4.875 139 H ALA 22 H ALA 22 -40.005 3.174 10.386 140 HA ALA 22 HA ALA 22 -38.537 5.130 11.784 141 1HB ALA 22 1HB ALA 22 -40.952 5.230 11.625 142 2HB ALA 22 2HB ALA 22 -41.115 3.633 12.393 143 3HB ALA 22 3HB ALA 22 -40.516 5.017 13.338 144 H ALA 23 H ALA 23 -39.302 1.656 12.375 145 HA ALA 23 HA ALA 23 -38.036 1.667 14.934 146 1HB ALA 23 1HB ALA 23 -38.364 -0.827 14.694 147 2HB ALA 23 2HB ALA 23 -39.850 0.132 14.498 148 3HB ALA 23 3HB ALA 23 -39.020 -0.525 13.067 149 H GLN 24 H GLN 24 -36.858 1.963 11.796 150 HA GLN 24 HA GLN 24 -34.576 0.269 12.224 151 1HB GLN 24 1HB GLN 24 -35.870 1.587 9.944 152 2HB GLN 24 2HB GLN 24 -34.135 1.833 9.919 153 1HG GLN 24 1HG GLN 24 -35.151 -0.944 10.518 154 2HG GLN 24 2HG GLN 24 -35.268 -0.370 8.866 155 1HE2 GLN 24 1HE2 GLN 24 -33.261 -1.590 11.326 156 2HE2 GLN 24 2HE2 GLN 24 -31.737 -1.542 10.505 157 H ALA 25 H ALA 25 -35.528 3.239 13.364 158 HA ALA 25 HA ALA 25 -33.351 4.901 12.839 159 1HB ALA 25 1HB ALA 25 -35.204 5.989 13.721 160 2HB ALA 25 2HB ALA 25 -35.514 4.715 14.924 161 3HB ALA 25 3HB ALA 25 -34.175 5.861 15.167 162 H ARG 26 H ARG 26 -33.673 2.016 14.776 163 HA ARG 26 HA ARG 26 -31.668 2.660 16.628 164 1HB ARG 26 1HB ARG 26 -33.561 0.674 16.423 165 2HB ARG 26 2HB ARG 26 -32.135 -0.219 15.934 166 1HG ARG 26 1HG ARG 26 -31.309 1.295 18.189 167 2HG ARG 26 2HG ARG 26 -32.908 0.709 18.602 168 1HD ARG 26 1HD ARG 26 -32.231 -1.496 18.680 169 2HD ARG 26 2HD ARG 26 -31.152 -1.326 17.309 170 HE ARG 26 HE ARG 26 -29.395 -0.773 18.770 171 1HH1 ARG 26 2HH2 ARG 26 -32.469 -0.612 20.525 172 2HH1 ARG 26 1HH2 ARG 26 -31.716 -0.430 22.075 173 1HH2 ARG 26 1HH ARG 26 -29.325 -0.387 22.221 174 H ALA 27 H ALA 27 -31.761 1.285 13.350 175 HA ALA 27 HA ALA 27 -29.163 0.155 13.408 176 1HB ALA 27 1HB ALA 27 -30.149 -0.764 11.603 177 2HB ALA 27 2HB ALA 27 -31.390 0.511 11.548 178 3HB ALA 27 3HB ALA 27 -29.818 0.763 10.752 179 H ARG 28 H ARG 28 -30.521 3.388 12.825 180 HA ARG 28 HA ARG 28 -28.375 4.437 11.451 181 1HB ARG 28 1HB ARG 28 -30.831 5.368 12.284 182 2HB ARG 28 2HB ARG 28 -29.783 6.241 13.385 183 1HG ARG 28 1HG ARG 28 -28.398 6.942 11.330 184 2HG ARG 28 2HG ARG 28 -29.675 6.269 10.336 185 1HD ARG 28 1HD ARG 28 -30.383 8.263 12.509 186 2HD ARG 28 2HD ARG 28 -29.721 8.843 10.994 187 HE ARG 28 HE ARG 28 -31.735 7.091 10.207 188 1HH1 ARG 28 2HH2 ARG 28 -31.616 9.956 12.287 189 2HH1 ARG 28 1HH2 ARG 28 -33.253 10.416 11.957 190 1HH2 ARG 28 1HH ARG 28 -34.574 9.074 10.475 191 H GLU 29 H GLU 29 -28.928 3.766 14.898 192 HA GLU 29 HA GLU 29 -26.750 5.403 15.734 193 1HB GLU 29 1HB GLU 29 -28.823 4.925 17.120 194 2HB GLU 29 2HB GLU 29 -28.261 3.276 17.311 195 1HG GLU 29 1HG GLU 29 -26.099 4.194 18.292 196 2HG GLU 29 2HG GLU 29 -26.802 5.798 18.225 197 HE2 GLU 29 HE2 GLU 29 -27.380 3.576 21.269 198 H ARG 30 H ARG 30 -27.266 2.107 14.632 199 HA ARG 30 HA ARG 30 -24.795 1.227 15.798 200 1HB ARG 30 1HB ARG 30 -27.141 -0.038 14.448 201 2HB ARG 30 2HB ARG 30 -25.607 -0.817 14.113 202 1HG ARG 30 1HG ARG 30 -25.305 -1.503 16.311 203 2HG ARG 30 2HG ARG 30 -26.113 -0.099 16.980 204 1HD ARG 30 1HD ARG 30 -28.143 -1.152 17.027 205 2HD ARG 30 2HD ARG 30 -27.959 -1.770 15.398 206 HE ARG 30 HE ARG 30 -27.203 -3.142 17.892 207 1HH1 ARG 30 2HH2 ARG 30 -26.853 -3.067 14.367 208 2HH1 ARG 30 1HH2 ARG 30 -26.374 -4.728 14.255 209 1HH2 ARG 30 1HH ARG 30 -26.215 -6.041 16.254 210 H GLU 31 H GLU 31 -26.137 2.405 12.738 211 HA GLU 31 HA GLU 31 -24.117 1.376 11.090 212 1HB GLU 31 1HB GLU 31 -26.487 3.034 10.829 213 2HB GLU 31 2HB GLU 31 -25.171 3.761 9.928 214 1HG GLU 31 1HG GLU 31 -24.745 1.543 8.809 215 2HG GLU 31 2HG GLU 31 -26.110 0.864 9.674 216 HE2 GLU 31 HE2 GLU 31 -26.794 3.540 6.750 217 H ARG 32 H ARG 32 -24.368 4.150 13.250 218 HA ARG 32 HA ARG 32 -22.532 5.809 12.068 219 1HB ARG 32 1HB ARG 32 -24.067 6.268 14.085 220 2HB ARG 32 2HB ARG 32 -22.897 5.423 15.079 221 1HG ARG 32 1HG ARG 32 -21.645 7.304 15.228 222 2HG ARG 32 2HG ARG 32 -21.427 7.310 13.489 223 1HD ARG 32 1HD ARG 32 -22.656 9.223 13.434 224 2HD ARG 32 2HD ARG 32 -24.061 8.252 13.824 225 HE ARG 32 HE ARG 32 -22.962 8.661 16.305 226 1HH1 ARG 32 2HH2 ARG 32 -23.745 10.894 13.668 227 2HH1 ARG 32 1HH2 ARG 32 -24.043 12.234 14.724 228 1HH2 ARG 32 1HH ARG 32 -23.807 11.937 17.091 229 H LEU 33 H LEU 33 -22.151 2.837 13.974 230 HA LEU 33 HA LEU 33 -19.306 3.303 14.315 231 1HB LEU 33 1HB LEU 33 -21.285 1.970 15.769 232 2HB LEU 33 2HB LEU 33 -20.291 0.692 15.098 233 HG LEU 33 HG LEU 33 -18.860 2.966 16.386 234 1HD1 LEU 33 1HD1 LEU 33 -20.629 1.040 17.879 235 2HD1 LEU 33 2HD1 LEU 33 -19.163 1.722 18.624 236 3HD1 LEU 33 3HD1 LEU 33 -20.464 2.803 18.067 237 1HD2 LEU 33 1HD2 LEU 33 -18.361 0.201 15.635 238 2HD2 LEU 33 2HD2 LEU 33 -17.218 1.517 15.995 239 3HD2 LEU 33 3HD2 LEU 33 -17.887 0.533 17.319 240 H ALA 34 H ALA 34 -21.483 2.043 11.983 241 HA ALA 34 HA ALA 34 -19.689 0.013 11.006 242 1HB ALA 34 1HB ALA 34 -21.435 -0.087 9.165 243 2HB ALA 34 2HB ALA 34 -22.052 -0.387 10.807 244 3HB ALA 34 3HB ALA 34 -22.316 1.193 10.032 245 H HIS 35 H HIS 35 -19.393 3.262 11.129 246 HA HIS 35 HA HIS 35 -18.684 3.643 8.348 247 1HB HIS 35 1HB HIS 35 -19.952 5.328 9.810 248 2HB HIS 35 2HB HIS 35 -18.418 5.642 10.598 249 HD1 HIS 35 HD1 HIS 35 -19.007 5.136 6.848 250 HD2 HIS 35 HD2 HIS 35 -17.773 8.098 9.550 251 HE1 HIS 35 HE1 HIS 35 -18.253 7.123 5.436 252 H SER 36 H SER 36 -17.282 2.466 11.231 253 HA SER 36 HA SER 36 -14.663 3.467 10.590 254 1HB SER 36 1HB SER 36 -15.944 2.710 12.963 255 2HB SER 36 2HB SER 36 -14.835 1.385 12.672 256 HG SER 36 HG SER 36 -14.287 4.123 13.223 257 H ARG 37 H ARG 37 -16.722 0.736 9.936 258 HA ARG 37 HA ARG 37 -14.498 -1.010 9.451 259 1HB ARG 37 1HB ARG 37 -17.099 -1.466 10.253 260 2HB ARG 37 2HB ARG 37 -17.238 -1.797 8.538 261 1HG ARG 37 1HG ARG 37 -15.940 -3.697 8.655 262 2HG ARG 37 2HG ARG 37 -14.835 -3.000 9.824 263 1HD ARG 37 1HD ARG 37 -17.561 -3.428 10.915 264 2HD ARG 37 2HD ARG 37 -16.791 -4.911 10.387 265 HE ARG 37 HE ARG 37 -16.068 -3.347 12.704 266 1HH1 ARG 37 2HH2 ARG 37 -14.637 -5.354 10.158 267 2HH1 ARG 37 1HH2 ARG 37 -13.263 -5.803 11.111 268 1HH2 ARG 37 1HH ARG 37 -13.059 -4.960 13.346 269 H ALA 38 H ALA 38 -15.390 1.608 7.873 270 HA ALA 38 HA ALA 38 -16.205 0.823 5.326 271 1HB ALA 38 1HB ALA 38 -15.915 3.171 6.589 272 2HB ALA 38 2HB ALA 38 -14.383 3.174 5.683 273 3HB ALA 38 3HB ALA 38 -15.932 3.051 4.814 274 H ALA 39 H ALA 39 -12.871 1.754 6.457 275 HA ALA 39 HA ALA 39 -11.618 0.859 4.124 276 1HB ALA 39 1HB ALA 39 -10.232 0.880 6.797 277 2HB ALA 39 2HB ALA 39 -9.658 1.462 5.216 278 3HB ALA 39 3HB ALA 39 -10.855 2.408 6.131 279 H ALA 40 H ALA 40 -12.115 -1.218 3.446 280 HA ALA 40 HA ALA 40 -12.198 -3.373 5.327 281 1HB ALA 40 1HB ALA 40 -12.922 -4.654 3.495 282 2HB ALA 40 2HB ALA 40 -13.520 -3.023 3.106 283 3HB ALA 40 3HB ALA 40 -12.049 -3.643 2.319 284 H ALA 41 H ALA 41 -10.174 -2.849 2.348 285 HA ALA 41 HA ALA 41 -8.311 -4.724 2.715 286 1HB ALA 41 1HB ALA 41 -7.070 -3.540 1.177 287 2HB ALA 41 2HB ALA 41 -8.614 -2.669 1.018 288 3HB ALA 41 3HB ALA 41 -7.307 -1.988 2.015 289 H ALA 42 H ALA 42 -7.670 -5.328 4.776 290 HA ALA 42 HA ALA 42 -6.576 -3.225 6.485 291 1HB ALA 42 1HB ALA 42 -6.679 -5.035 8.223 292 2HB ALA 42 2HB ALA 42 -8.261 -4.647 7.505 293 3HB ALA 42 3HB ALA 42 -7.389 -6.113 6.997 294 H ALA 43 H ALA 43 -5.725 -6.713 5.973 295 HA ALA 43 HA ALA 43 -3.047 -6.391 6.541 296 1HB ALA 43 1HB ALA 43 -3.466 -8.475 4.578 297 2HB ALA 43 2HB ALA 43 -3.162 -8.623 6.326 298 3HB ALA 43 3HB ALA 43 -4.827 -8.445 5.724 299 H VAL 44 H VAL 44 -4.882 -5.388 3.756 300 HA VAL 44 HA VAL 44 -2.526 -5.301 2.062 301 HB VAL 44 HB VAL 44 -5.432 -5.235 1.745 302 1HG1 VAL 44 1HG1 VAL 44 -3.741 -3.395 0.018 303 2HG1 VAL 44 2HG1 VAL 44 -5.434 -3.846 -0.294 304 3HG1 VAL 44 3HG1 VAL 44 -5.018 -2.899 1.154 305 1HG2 VAL 44 1HG2 VAL 44 -3.074 -6.005 0.003 306 2HG2 VAL 44 2HG2 VAL 44 -4.186 -7.080 0.883 307 3HG2 VAL 44 3HG2 VAL 44 -4.770 -6.149 -0.518 308 H ALA 45 H ALA 45 -4.550 -3.249 4.132 309 HA ALA 45 HA ALA 45 -4.143 -0.760 3.234 310 1HB ALA 45 1HB ALA 45 -5.238 -1.664 5.409 311 2HB ALA 45 2HB ALA 45 -3.628 -1.447 6.137 312 3HB ALA 45 3HB ALA 45 -4.492 -0.049 5.455 313 H ALA 46 H ALA 46 -1.713 -2.900 4.792 314 HA ALA 46 HA ALA 46 0.278 -0.794 4.621 315 1HB ALA 46 1HB ALA 46 1.634 -2.257 5.938 316 2HB ALA 46 2HB ALA 46 -0.013 -2.384 6.600 317 3HB ALA 46 3HB ALA 46 0.623 -3.667 5.543 318 H ALA 47 H ALA 47 0.281 -4.312 3.707 319 HA ALA 47 HA ALA 47 2.128 -3.745 1.585 320 1HB ALA 47 1HB ALA 47 2.554 -5.972 1.706 321 2HB ALA 47 2HB ALA 47 1.626 -5.894 3.223 322 3HB ALA 47 3HB ALA 47 0.827 -6.401 1.715 323 H THR 48 H THR 48 1.462 -2.871 -0.310 324 HA THR 48 HA THR 48 -1.020 -2.410 -1.177 325 HB THR 48 HB THR 48 1.172 -1.730 -2.251 326 HG1 THR 48 HG1 THR 48 -0.695 -3.184 -3.984 327 1HG2 THR 48 1HG2 THR 48 2.259 -3.973 -2.420 328 2HG2 THR 48 2HG2 THR 48 0.942 -4.529 -3.481 329 3HG2 THR 48 3HG2 THR 48 2.053 -3.253 -4.035 330 H ALA 49 H ALA 49 -2.529 -3.368 -2.680 331 HA ALA 49 HA ALA 49 -3.419 -5.818 -1.958 332 1HB ALA 49 1HB ALA 49 -3.630 -4.676 -4.768 333 2HB ALA 49 2HB ALA 49 -4.800 -5.719 -3.925 334 3HB ALA 49 3HB ALA 49 -4.548 -4.043 -3.381 335 H ALA 50 H ALA 50 -3.110 -7.971 -2.577 336 HA ALA 50 HA ALA 50 -0.553 -8.486 -3.816 337 1HB ALA 50 1HB ALA 50 -0.673 -10.081 -2.228 338 2HB ALA 50 2HB ALA 50 -2.419 -9.821 -2.001 339 3HB ALA 50 3HB ALA 50 -1.841 -10.913 -3.282 340 H VAL 51 H VAL 51 -2.046 -7.226 -5.708 341 HA VAL 51 HA VAL 51 -2.457 -9.373 -7.604 342 HB VAL 51 HB VAL 51 -4.613 -7.350 -6.963 343 1HG1 VAL 51 1HG1 VAL 51 -5.916 -8.827 -8.623 344 2HG1 VAL 51 2HG1 VAL 51 -4.728 -7.680 -9.287 345 3HG1 VAL 51 3HG1 VAL 51 -4.320 -9.408 -9.155 346 1HG2 VAL 51 1HG2 VAL 51 -4.374 -10.319 -6.424 347 2HG2 VAL 51 2HG2 VAL 51 -4.705 -9.003 -5.271 348 3HG2 VAL 51 3HG2 VAL 51 -5.941 -9.475 -6.463 349 H GLU 52 H GLU 52 -0.265 -8.092 -7.877 350 HA GLU 52 HA GLU 52 -0.659 -5.553 -9.145 351 1HB GLU 52 1HB GLU 52 1.327 -6.327 -7.602 352 2HB GLU 52 2HB GLU 52 1.964 -7.068 -9.056 353 1HG GLU 52 1HG GLU 52 2.090 -4.950 -10.209 354 2HG GLU 52 2HG GLU 52 1.092 -4.151 -9.010 355 HE2 GLU 52 HE2 GLU 52 4.651 -4.192 -9.383 356 H GLY 53 H GLY 53 0.304 -5.113 -11.357 357 1HA GLY 53 1HA GLY 53 -0.096 -7.465 -13.109 358 2HA GLY 53 2HA GLY 53 -0.563 -5.826 -13.516 359 H THR 54 H THR 54 1.043 -4.250 -14.100 360 HA THR 54 HA THR 54 3.701 -5.427 -14.588 361 HB THR 54 HB THR 54 2.276 -5.104 -16.649 362 HG1 THR 54 HG1 THR 54 4.001 -3.555 -17.563 363 1HG2 THR 54 1HG2 THR 54 2.145 -2.617 -17.380 364 2HG2 THR 54 2HG2 THR 54 0.941 -3.144 -16.180 365 3HG2 THR 54 3HG2 THR 54 2.367 -2.215 -15.660 366 H GLY 55 H GLY 55 5.532 -4.174 -14.202 367 1HA GLY 55 1HA GLY 55 4.994 -1.811 -12.516 368 2HA GLY 55 2HA GLY 55 6.391 -2.864 -12.401 369 H GLY 56 H GLY 56 7.740 -3.044 -14.557 370 1HA GLY 56 1HA GLY 56 7.759 -1.312 -16.617 371 2HA GLY 56 2HA GLY 56 8.407 -0.332 -15.317 372 H SER 57 H SER 57 9.797 -1.276 -17.754 373 HA SER 57 HA SER 57 11.425 -3.446 -17.100 374 1HB SER 57 1HB SER 57 12.622 -2.925 -19.098 375 2HB SER 57 2HB SER 57 10.962 -2.461 -19.416 376 HG SER 57 HG SER 57 11.483 -0.329 -19.376 377 H GLY 58 H GLY 58 13.770 -3.412 -16.589 378 1HA GLY 58 1HA GLY 58 14.412 -1.182 -14.789 379 2HA GLY 58 2HA GLY 58 15.126 -2.782 -14.786 380 H GLY 59 H GLY 59 17.154 -2.959 -15.633 381 1HA GLY 59 1HA GLY 59 17.917 -1.708 -18.064 382 2HA GLY 59 2HA GLY 59 18.558 -0.821 -16.695 383 H GLY 60 H GLY 60 20.425 -1.919 -18.328 384 1HA GLY 60 1HA GLY 60 21.691 -3.858 -16.599 385 2HA GLY 60 2HA GLY 60 21.232 -4.488 -18.168 386 HA PRO 61 HA PRO 61 25.247 -2.305 -18.562 387 1HB PRO 61 1HB PRO 61 26.859 -4.444 -19.107 388 2HB PRO 61 2HB PRO 61 26.688 -3.756 -17.504 389 1HG PRO 61 1HG PRO 61 25.550 -6.266 -18.576 390 2HG PRO 61 2HG PRO 61 25.751 -5.777 -16.905 391 1HD PRO 61 1HD PRO 61 23.310 -5.775 -18.412 392 2HD PRO 61 2HD PRO 61 23.535 -5.179 -16.779 393 H HIS 62 H HIS 62 25.975 -1.389 -20.421 394 HA HIS 62 HA HIS 62 24.549 -2.187 -22.728 395 1HB HIS 62 1HB HIS 62 26.882 -0.271 -22.444 396 2HB HIS 62 2HB HIS 62 25.827 -0.406 -23.837 397 HD1 HIS 62 HD1 HIS 62 23.215 0.242 -23.384 398 HD2 HIS 62 HD2 HIS 62 25.985 1.430 -20.466 399 HE1 HIS 62 HE1 HIS 62 22.056 2.035 -21.986 400 H HIS 63 H HIS 63 28.119 -2.090 -22.015 401 HA HIS 63 HA HIS 63 29.795 -3.208 -22.905 402 1HB HIS 63 1HB HIS 63 29.191 -4.960 -21.491 403 2HB HIS 63 2HB HIS 63 27.741 -5.341 -22.398 404 HD1 HIS 63 HD1 HIS 63 27.935 -7.442 -23.720 405 HD2 HIS 63 HD2 HIS 63 31.640 -5.527 -23.273 406 HE1 HIS 63 HE1 HIS 63 29.655 -8.936 -24.869 407 H HIS 64 H HIS 64 30.094 -2.218 -24.915 408 HA HIS 64 HA HIS 64 28.543 -3.287 -27.129 409 1HB HIS 64 1HB HIS 64 30.282 -0.850 -26.762 410 2HB HIS 64 2HB HIS 64 29.816 -1.398 -28.360 411 HD1 HIS 64 HD1 HIS 64 28.445 0.214 -25.256 412 HD2 HIS 64 HD2 HIS 64 27.067 -1.062 -29.006 413 HE1 HIS 64 HE1 HIS 64 26.120 1.224 -25.544 414 H HIS 65 H HIS 65 31.998 -2.628 -26.213 415 HA HIS 65 HA HIS 65 33.065 -4.998 -26.712 416 1HB HIS 65 1HB HIS 65 32.188 -3.835 -29.257 417 2HB HIS 65 2HB HIS 65 33.887 -4.262 -29.256 418 HD1 HIS 65 HD1 HIS 65 33.892 -6.868 -27.636 419 HD2 HIS 65 HD2 HIS 65 30.997 -5.943 -30.526 420 HE1 HIS 65 HE1 HIS 65 32.910 -9.095 -28.402 421 H GLN 66 H GLN 66 35.302 -4.914 -26.375 422 HA GLN 66 HA GLN 66 36.260 -2.365 -25.627 423 1HB GLN 66 1HB GLN 66 36.835 -4.490 -24.433 424 2HB GLN 66 2HB GLN 66 37.734 -5.029 -25.838 425 1HG GLN 66 1HG GLN 66 39.208 -4.001 -24.087 426 2HG GLN 66 2HG GLN 66 39.315 -3.172 -25.627 427 1HE2 GLN 66 1HE2 GLN 66 40.116 -1.373 -24.452 428 2HE2 GLN 66 2HE2 GLN 66 39.052 -0.274 -23.640 429 H THR 67 H THR 67 38.507 -1.571 -26.390 430 HA THR 67 HA THR 67 38.389 -1.122 -29.164 431 HB THR 67 HB THR 67 39.365 0.540 -27.702 432 HG1 THR 67 HG1 THR 67 41.559 -0.974 -28.919 433 1HG2 THR 67 1HG2 THR 67 40.528 -1.772 -26.376 434 2HG2 THR 67 2HG2 THR 67 41.836 -0.683 -26.899 435 3HG2 THR 67 3HG2 THR 67 40.539 -0.074 -25.842 436 H ARG 68 H ARG 68 40.519 -1.444 -30.539 437 HA ARG 68 HA ARG 68 42.058 -3.667 -30.092 438 1HB ARG 68 1HB ARG 68 39.418 -4.393 -30.892 439 2HB ARG 68 2HB ARG 68 40.407 -4.609 -32.322 440 1HG ARG 68 1HG ARG 68 41.961 -5.667 -30.194 441 2HG ARG 68 2HG ARG 68 40.327 -6.212 -29.872 442 1HD ARG 68 1HD ARG 68 41.090 -6.449 -32.729 443 2HD ARG 68 2HD ARG 68 42.102 -7.404 -31.664 444 HE ARG 68 HE ARG 68 40.227 -8.729 -31.061 445 1HH1 ARG 68 2HH2 ARG 68 39.224 -6.005 -33.093 446 2HH1 ARG 68 1HH2 ARG 68 37.642 -6.647 -33.388 447 1HH2 ARG 68 1HH ARG 68 37.027 -8.748 -32.412 448 H GLY 69 H GLY 69 43.758 -3.634 -31.605 449 1HA GLY 69 1HA GLY 69 43.417 -2.709 -34.281 450 2HA GLY 69 2HA GLY 69 44.118 -1.466 -33.265 451 H ALA 70 H ALA 70 44.617 -4.574 -34.844 452 HA ALA 70 HA ALA 70 46.883 -5.481 -33.572 453 1HB ALA 70 1HB ALA 70 47.218 -6.796 -35.534 454 2HB ALA 70 2HB ALA 70 45.458 -6.564 -35.406 455 3HB ALA 70 3HB ALA 70 46.401 -5.599 -36.567 456 H TYR 71 H TYR 71 48.732 -4.402 -33.115 457 HA TYR 71 HA TYR 71 49.588 -2.344 -35.022 458 1HB TYR 71 1HB TYR 71 49.507 -2.802 -32.092 459 2HB TYR 71 2HB TYR 71 51.135 -2.398 -32.601 460 HD1 TYR 71 HD1 TYR 71 47.763 -1.164 -33.714 461 HD2 TYR 71 HD2 TYR 71 51.586 -0.188 -32.059 462 HE1 TYR 71 HE1 TYR 71 47.151 1.303 -33.734 463 HE2 TYR 71 HE2 TYR 71 50.960 2.276 -32.085 464 HH TYR 71 HH TYR 71 48.911 3.611 -32.038 465 H SER 72 H SER 72 51.720 -2.307 -35.843 466 HA SER 72 HA SER 72 53.659 -3.076 -36.457 467 1HB SER 72 1HB SER 72 53.412 -4.164 -33.781 468 2HB SER 72 2HB SER 72 54.220 -5.341 -34.797 469 HG SER 72 HG SER 72 55.633 -3.482 -35.504 470 H SER 73 H SER 73 51.785 -5.963 -35.252 471 HA SER 73 HA SER 73 52.606 -7.824 -36.938 472 1HB SER 73 1HB SER 73 50.421 -8.902 -36.697 473 2HB SER 73 2HB SER 73 50.865 -8.132 -35.186 474 HG SER 73 HG SER 73 49.526 -6.261 -35.913 475 H HIS 74 H HIS 74 52.419 -8.380 -39.125 476 HA HIS 74 HA HIS 74 50.529 -6.884 -40.734 477 1HB HIS 74 1HB HIS 74 53.472 -6.537 -40.811 478 2HB HIS 74 2HB HIS 74 52.697 -6.743 -42.369 479 HD1 HIS 74 HD1 HIS 74 54.011 -4.044 -41.117 480 HD2 HIS 74 HD2 HIS 74 49.933 -4.936 -41.525 481 HE1 HIS 74 HE1 HIS 74 52.789 -1.804 -41.150 482 H ASP 75 H ASP 75 49.833 -8.030 -42.578 483 HA ASP 75 HA ASP 75 49.316 -9.828 -43.681 484 1HB ASP 75 1HB ASP 75 52.308 -9.816 -43.656 485 2HB ASP 75 2HB ASP 75 51.573 -11.328 -44.151 486 HD2 ASP 75 HD2 ASP 75 52.900 -8.868 -45.351 Start of MODEL 9 1 H MET 1 H MET 1 -63.828 1.127 -10.344 2 HA MET 1 HA MET 1 -61.915 2.097 -10.728 3 1HB MET 1 1HB MET 1 -62.657 3.408 -8.725 4 2HB MET 1 2HB MET 1 -61.868 2.259 -7.662 5 1HG MET 1 1HG MET 1 -60.035 3.610 -7.786 6 2HG MET 1 2HG MET 1 -59.801 2.971 -9.401 7 1HE MET 1 1HE MET 1 -60.467 7.196 -8.326 8 2HE MET 1 2HE MET 1 -61.194 5.973 -7.257 9 3HE MET 1 3HE MET 1 -59.461 5.891 -7.654 10 H GLU 2 H GLU 2 -60.535 0.578 -11.650 11 HA GLU 2 HA GLU 2 -59.166 -1.226 -9.871 12 1HB GLU 2 1HB GLU 2 -60.172 -1.542 -12.404 13 2HB GLU 2 2HB GLU 2 -58.493 -1.203 -12.778 14 1HG GLU 2 1HG GLU 2 -57.895 -3.300 -12.162 15 2HG GLU 2 2HG GLU 2 -58.540 -3.041 -10.554 16 HE2 GLU 2 HE2 GLU 2 -60.026 -5.821 -11.641 17 H VAL 3 H VAL 3 -57.308 -0.560 -8.891 18 HA VAL 3 HA VAL 3 -55.751 1.520 -10.221 19 HB VAL 3 HB VAL 3 -55.346 0.420 -7.448 20 1HG1 VAL 3 1HG1 VAL 3 -54.930 3.227 -7.643 21 2HG1 VAL 3 2HG1 VAL 3 -53.722 1.945 -7.383 22 3HG1 VAL 3 3HG1 VAL 3 -54.120 2.471 -9.037 23 1HG2 VAL 3 1HG2 VAL 3 -57.742 1.064 -7.748 24 2HG2 VAL 3 2HG2 VAL 3 -56.875 2.062 -6.556 25 3HG2 VAL 3 3HG2 VAL 3 -57.205 2.704 -8.183 26 H ALA 4 H ALA 4 -53.421 1.288 -10.462 27 HA ALA 4 HA ALA 4 -52.743 -1.430 -11.165 28 1HB ALA 4 1HB ALA 4 -52.062 0.084 -12.802 29 2HB ALA 4 2HB ALA 4 -51.591 1.320 -11.612 30 3HB ALA 4 3HB ALA 4 -50.567 -0.115 -11.857 31 H MET 5 H MET 5 -50.494 -2.258 -10.526 32 HA MET 5 HA MET 5 -50.267 -1.853 -7.672 33 1HB MET 5 1HB MET 5 -49.613 -4.005 -9.664 34 2HB MET 5 2HB MET 5 -48.487 -3.874 -8.327 35 1HG MET 5 1HG MET 5 -51.266 -3.709 -7.383 36 2HG MET 5 2HG MET 5 -50.999 -5.178 -8.300 37 1HE MET 5 1HE MET 5 -50.637 -7.254 -6.125 38 2HE MET 5 2HE MET 5 -50.041 -6.963 -7.777 39 3HE MET 5 3HE MET 5 -48.896 -7.367 -6.475 40 H VAL 6 H VAL 6 -49.084 0.077 -7.422 41 HA VAL 6 HA VAL 6 -46.721 0.516 -8.979 42 HB VAL 6 HB VAL 6 -47.751 1.965 -6.533 43 1HG1 VAL 6 1HG1 VAL 6 -46.511 3.896 -7.586 44 2HG1 VAL 6 2HG1 VAL 6 -45.481 2.583 -6.966 45 3HG1 VAL 6 3HG1 VAL 6 -45.786 2.725 -8.714 46 1HG2 VAL 6 1HG2 VAL 6 -49.508 1.898 -8.210 47 2HG2 VAL 6 2HG2 VAL 6 -48.807 3.533 -8.140 48 3HG2 VAL 6 3HG2 VAL 6 -48.370 2.432 -9.469 49 H SER 7 H SER 7 -44.593 1.054 -7.786 50 HA SER 7 HA SER 7 -44.137 -1.158 -5.966 51 1HB SER 7 1HB SER 7 -42.775 -0.608 -8.183 52 2HB SER 7 2HB SER 7 -41.934 0.536 -7.156 53 HG SER 7 HG SER 7 -40.735 -1.189 -6.679 54 H ALA 8 H ALA 8 -42.756 -0.793 -4.024 55 HA ALA 8 HA ALA 8 -43.397 1.764 -2.828 56 1HB ALA 8 1HB ALA 8 -42.719 -0.980 -1.948 57 2HB ALA 8 2HB ALA 8 -42.020 0.313 -0.943 58 3HB ALA 8 3HB ALA 8 -43.781 0.235 -1.195 59 H GLU 9 H GLU 9 -42.037 3.291 -3.821 60 HA GLU 9 HA GLU 9 -39.353 2.797 -4.330 61 1HB GLU 9 1HB GLU 9 -41.177 4.824 -4.883 62 2HB GLU 9 2HB GLU 9 -40.061 5.621 -3.792 63 1HG GLU 9 1HG GLU 9 -38.569 5.832 -5.482 64 2HG GLU 9 2HG GLU 9 -38.451 4.087 -5.590 65 HE2 GLU 9 HE2 GLU 9 -39.136 6.095 -8.295 66 H SER 10 H SER 10 -37.559 4.336 -3.301 67 HA SER 10 HA SER 10 -37.931 4.156 -0.413 68 1HB SER 10 1HB SER 10 -36.136 2.699 -1.815 69 2HB SER 10 2HB SER 10 -35.174 4.149 -1.608 70 HG SER 10 HG SER 10 -34.693 3.130 0.250 71 H SER 11 H SER 11 -38.025 6.147 0.554 72 HA SER 11 HA SER 11 -37.769 8.268 0.933 73 1HB SER 11 1HB SER 11 -35.240 7.352 0.701 74 2HB SER 11 2HB SER 11 -35.211 8.489 -0.632 75 HG SER 11 HG SER 11 -34.968 9.013 2.009 76 H GLY 12 H GLY 12 -39.382 9.353 -0.191 77 1HA GLY 12 1HA GLY 12 -38.640 10.808 -2.546 78 2HA GLY 12 2HA GLY 12 -39.759 9.506 -2.896 79 H CYS 13 H CYS 13 -41.793 10.338 -3.104 80 HA CYS 13 HA CYS 13 -42.868 11.770 -0.853 81 1HB CYS 13 1HB CYS 13 -41.802 13.370 -2.775 82 2HB CYS 13 2HB CYS 13 -43.419 13.165 -3.418 83 HG CYS 13 HG CYS 13 -42.900 13.717 -0.214 84 H ASN 14 H ASN 14 -43.679 9.354 -1.157 85 HA ASN 14 HA ASN 14 -45.686 9.205 -3.226 86 1HB ASN 14 1HB ASN 14 -44.060 7.300 -1.706 87 2HB ASN 14 2HB ASN 14 -45.753 6.868 -1.574 88 1HD2 ASN 14 1HD2 ASN 14 -46.946 6.332 -3.390 89 2HD2 ASN 14 2HD2 ASN 14 -46.225 5.903 -4.906 90 H SER 15 H SER 15 -45.834 10.991 -0.743 91 HA SER 15 HA SER 15 -47.329 11.661 0.679 92 1HB SER 15 1HB SER 15 -49.140 9.540 -0.558 93 2HB SER 15 2HB SER 15 -49.687 10.788 0.544 94 HG SER 15 HG SER 15 -49.096 10.951 -2.178 95 H HIS 16 H HIS 16 -46.229 11.040 2.585 96 HA HIS 16 HA HIS 16 -45.825 9.941 4.440 97 1HB HIS 16 1HB HIS 16 -48.112 10.210 4.978 98 2HB HIS 16 2HB HIS 16 -48.617 8.950 3.870 99 HD1 HIS 16 HD1 HIS 16 -48.346 6.462 4.652 100 HD2 HIS 16 HD2 HIS 16 -47.198 9.319 7.501 101 HE1 HIS 16 HE1 HIS 16 -48.118 5.213 6.865 102 H MET 17 H MET 17 -43.995 8.848 3.514 103 HA MET 17 HA MET 17 -43.920 6.706 1.968 104 1HB MET 17 1HB MET 17 -41.791 6.118 3.140 105 2HB MET 17 2HB MET 17 -41.935 7.856 2.969 106 1HG MET 17 1HG MET 17 -43.034 7.797 5.353 107 2HG MET 17 2HG MET 17 -42.372 6.179 5.470 108 1HE MET 17 1HE MET 17 -41.138 7.685 7.724 109 2HE MET 17 2HE MET 17 -40.668 6.109 7.045 110 3HE MET 17 3HE MET 17 -39.426 7.338 7.383 111 HA PRO 18 HA PRO 18 -45.653 3.311 4.041 112 1HB PRO 18 1HB PRO 18 -44.315 1.202 2.931 113 2HB PRO 18 2HB PRO 18 -45.640 2.024 2.131 114 1HG PRO 18 1HG PRO 18 -42.742 2.203 1.576 115 2HG PRO 18 2HG PRO 18 -44.086 2.663 0.551 116 1HD PRO 18 1HD PRO 18 -42.393 4.424 2.054 117 2HD PRO 18 2HD PRO 18 -43.808 4.872 1.121 118 H TYR 19 H TYR 19 -45.417 1.516 5.571 119 HA TYR 19 HA TYR 19 -43.396 2.239 7.443 120 1HB TYR 19 1HB TYR 19 -44.623 0.650 8.789 121 2HB TYR 19 2HB TYR 19 -45.846 1.258 7.691 122 HD1 TYR 19 HD1 TYR 19 -43.764 -1.632 8.582 123 HD2 TYR 19 HD2 TYR 19 -46.726 -0.142 5.879 124 HE1 TYR 19 HE1 TYR 19 -44.253 -4.001 7.802 125 HE2 TYR 19 HE2 TYR 19 -47.205 -2.517 5.107 126 HH TYR 19 HH TYR 19 -46.824 -4.963 6.468 127 H GLY 20 H GLY 20 -41.352 1.465 7.639 128 1HA GLY 20 1HA GLY 20 -40.733 -1.243 6.824 129 2HA GLY 20 2HA GLY 20 -40.006 0.003 5.828 130 H TYR 21 H TYR 21 -38.142 1.014 6.521 131 HA TYR 21 HA TYR 21 -37.077 0.116 9.062 132 1HB TYR 21 1HB TYR 21 -35.048 1.346 8.064 133 2HB TYR 21 2HB TYR 21 -35.673 0.084 7.022 134 HD1 TYR 21 HD1 TYR 21 -35.437 3.736 7.519 135 HD2 TYR 21 HD2 TYR 21 -36.707 0.605 4.895 136 HE1 TYR 21 HE1 TYR 21 -35.697 5.416 5.629 137 HE2 TYR 21 HE2 TYR 21 -36.963 2.296 3.013 138 HH TYR 21 HH TYR 21 -36.312 5.743 3.587 139 H ALA 22 H ALA 22 -39.368 1.908 9.230 140 HA ALA 22 HA ALA 22 -38.494 4.562 9.627 141 1HB ALA 22 1HB ALA 22 -40.703 4.958 10.214 142 2HB ALA 22 2HB ALA 22 -40.882 3.465 9.263 143 3HB ALA 22 3HB ALA 22 -40.877 3.392 11.041 144 H ALA 23 H ALA 23 -38.993 1.714 11.797 145 HA ALA 23 HA ALA 23 -37.995 3.264 14.040 146 1HB ALA 23 1HB ALA 23 -39.321 0.586 13.633 147 2HB ALA 23 2HB ALA 23 -38.415 0.901 15.132 148 3HB ALA 23 3HB ALA 23 -39.795 1.935 14.693 149 H GLN 24 H GLN 24 -36.431 2.300 11.487 150 HA GLN 24 HA GLN 24 -34.511 0.572 12.757 151 1HB GLN 24 1HB GLN 24 -35.425 0.875 10.128 152 2HB GLN 24 2HB GLN 24 -33.829 1.598 10.077 153 1HG GLN 24 1HG GLN 24 -33.668 -0.809 9.587 154 2HG GLN 24 2HG GLN 24 -32.850 -0.457 11.096 155 1HE2 GLN 24 1HE2 GLN 24 -33.170 -1.920 12.571 156 2HE2 GLN 24 2HE2 GLN 24 -34.622 -2.813 12.878 157 H ALA 25 H ALA 25 -35.153 3.829 12.828 158 HA ALA 25 HA ALA 25 -32.703 5.022 12.236 159 1HB ALA 25 1HB ALA 25 -35.126 5.956 12.787 160 2HB ALA 25 2HB ALA 25 -34.475 6.042 14.442 161 3HB ALA 25 3HB ALA 25 -33.675 6.931 13.124 162 H ARG 26 H ARG 26 -33.706 2.908 14.825 163 HA ARG 26 HA ARG 26 -31.891 3.872 16.734 164 1HB ARG 26 1HB ARG 26 -33.998 2.042 16.704 165 2HB ARG 26 2HB ARG 26 -32.610 0.989 16.893 166 1HG ARG 26 1HG ARG 26 -32.177 1.726 19.022 167 2HG ARG 26 2HG ARG 26 -32.485 3.402 18.612 168 1HD ARG 26 1HD ARG 26 -34.872 1.576 18.653 169 2HD ARG 26 2HD ARG 26 -34.144 1.943 20.204 170 HE ARG 26 HE ARG 26 -35.534 3.836 18.425 171 1HH1 ARG 26 2HH2 ARG 26 -33.384 3.474 21.217 172 2HH1 ARG 26 1HH2 ARG 26 -33.719 5.056 21.837 173 1HH2 ARG 26 1HH ARG 26 -35.246 6.479 20.660 174 H ALA 27 H ALA 27 -31.750 1.586 14.013 175 HA ALA 27 HA ALA 27 -29.382 0.265 14.831 176 1HB ALA 27 1HB ALA 27 -29.795 -0.995 12.993 177 2HB ALA 27 2HB ALA 27 -31.337 -0.107 12.921 178 3HB ALA 27 3HB ALA 27 -29.954 0.430 11.938 179 H ARG 28 H ARG 28 -30.153 3.292 13.134 180 HA ARG 28 HA ARG 28 -27.712 3.651 11.908 181 1HB ARG 28 1HB ARG 28 -30.040 5.007 11.861 182 2HB ARG 28 2HB ARG 28 -29.219 6.021 13.032 183 1HG ARG 28 1HG ARG 28 -27.580 5.330 10.640 184 2HG ARG 28 2HG ARG 28 -29.000 6.295 10.289 185 1HD ARG 28 1HD ARG 28 -28.287 7.927 12.092 186 2HD ARG 28 2HD ARG 28 -26.827 6.986 12.326 187 HE ARG 28 HE ARG 28 -25.966 7.819 10.297 188 1HH1 ARG 28 2HH2 ARG 28 -29.405 8.636 10.552 189 2HH1 ARG 28 1HH2 ARG 28 -29.377 9.711 9.194 190 1HH2 ARG 28 1HH ARG 28 -27.324 10.050 8.006 191 H GLU 29 H GLU 29 -28.811 4.116 15.257 192 HA GLU 29 HA GLU 29 -26.542 5.693 15.956 193 1HB GLU 29 1HB GLU 29 -29.081 5.239 17.052 194 2HB GLU 29 2HB GLU 29 -28.007 4.439 18.183 195 1HG GLU 29 1HG GLU 29 -26.577 6.619 18.096 196 2HG GLU 29 2HG GLU 29 -27.962 7.356 17.316 197 HE2 GLU 29 HE2 GLU 29 -28.612 8.496 20.064 198 H ARG 30 H ARG 30 -27.394 2.291 15.756 199 HA ARG 30 HA ARG 30 -25.262 1.552 17.530 200 1HB ARG 30 1HB ARG 30 -27.569 0.190 16.209 201 2HB ARG 30 2HB ARG 30 -26.139 -0.809 16.374 202 1HG ARG 30 1HG ARG 30 -26.673 0.714 18.834 203 2HG ARG 30 2HG ARG 30 -28.052 -0.267 18.378 204 1HD ARG 30 1HD ARG 30 -25.518 -1.743 18.071 205 2HD ARG 30 2HD ARG 30 -25.736 -1.163 19.710 206 HE ARG 30 HE ARG 30 -28.210 -2.219 19.152 207 1HH1 ARG 30 2HH2 ARG 30 -24.936 -3.528 18.806 208 2HH1 ARG 30 1HH2 ARG 30 -25.434 -5.170 19.041 209 1HH2 ARG 30 1HH ARG 30 -27.750 -5.650 19.425 210 H GLU 31 H GLU 31 -25.991 1.883 14.078 211 HA GLU 31 HA GLU 31 -23.657 0.363 13.351 212 1HB GLU 31 1HB GLU 31 -25.990 1.573 11.888 213 2HB GLU 31 2HB GLU 31 -24.512 1.314 10.983 214 1HG GLU 31 1HG GLU 31 -24.556 -1.040 11.325 215 2HG GLU 31 2HG GLU 31 -25.627 -0.918 12.707 216 HE2 GLU 31 HE2 GLU 31 -27.044 -2.055 9.566 217 H ARG 32 H ARG 32 -23.784 3.136 14.834 218 HA ARG 32 HA ARG 32 -22.839 5.060 13.125 219 1HB ARG 32 1HB ARG 32 -21.846 6.076 15.258 220 2HB ARG 32 2HB ARG 32 -23.552 5.687 15.347 221 1HG ARG 32 1HG ARG 32 -23.042 4.518 17.233 222 2HG ARG 32 2HG ARG 32 -22.372 3.300 16.166 223 1HD ARG 32 1HD ARG 32 -20.218 3.797 16.760 224 2HD ARG 32 2HD ARG 32 -20.485 5.524 16.632 225 HE ARG 32 HE ARG 32 -21.736 4.254 18.981 226 1HH1 ARG 32 2HH2 ARG 32 -18.896 5.955 17.721 227 2HH1 ARG 32 1HH2 ARG 32 -18.351 6.461 19.285 228 1HH2 ARG 32 1HH ARG 32 -19.614 5.842 21.225 229 H LEU 33 H LEU 33 -21.246 2.288 14.674 230 HA LEU 33 HA LEU 33 -18.612 3.285 13.977 231 1HB LEU 33 1HB LEU 33 -19.647 1.665 16.005 232 2HB LEU 33 2HB LEU 33 -18.742 0.568 14.980 233 HG LEU 33 HG LEU 33 -16.764 2.105 15.183 234 1HD1 LEU 33 1HD1 LEU 33 -18.243 3.405 17.470 235 2HD1 LEU 33 2HD1 LEU 33 -16.694 3.873 16.730 236 3HD1 LEU 33 3HD1 LEU 33 -18.214 4.101 15.832 237 1HD2 LEU 33 1HD2 LEU 33 -16.229 1.424 17.527 238 2HD2 LEU 33 2HD2 LEU 33 -17.906 0.850 17.690 239 3HD2 LEU 33 3HD2 LEU 33 -16.822 0.103 16.492 240 H ALA 34 H ALA 34 -21.206 1.551 12.551 241 HA ALA 34 HA ALA 34 -19.540 -0.146 10.928 242 1HB ALA 34 1HB ALA 34 -21.486 -1.268 10.902 243 2HB ALA 34 2HB ALA 34 -22.334 0.106 11.651 244 3HB ALA 34 3HB ALA 34 -22.168 0.021 9.881 245 H HIS 35 H HIS 35 -19.836 3.104 11.038 246 HA HIS 35 HA HIS 35 -20.265 3.502 8.202 247 1HB HIS 35 1HB HIS 35 -20.223 5.202 10.637 248 2HB HIS 35 2HB HIS 35 -19.644 5.958 9.166 249 HD1 HIS 35 HD1 HIS 35 -21.509 5.146 7.009 250 HD2 HIS 35 HD2 HIS 35 -22.854 5.819 10.925 251 HE1 HIS 35 HE1 HIS 35 -24.006 5.637 6.832 252 H SER 36 H SER 36 -17.721 2.721 10.344 253 HA SER 36 HA SER 36 -15.749 4.167 8.830 254 1HB SER 36 1HB SER 36 -15.878 3.463 11.467 255 2HB SER 36 2HB SER 36 -14.923 2.127 10.855 256 HG SER 36 HG SER 36 -13.563 3.880 9.790 257 H ARG 37 H ARG 37 -17.351 1.075 8.883 258 HA ARG 37 HA ARG 37 -15.167 -0.243 7.569 259 1HB ARG 37 1HB ARG 37 -17.167 -1.143 9.245 260 2HB ARG 37 2HB ARG 37 -17.849 -1.566 7.687 261 1HG ARG 37 1HG ARG 37 -15.860 -2.868 7.091 262 2HG ARG 37 2HG ARG 37 -15.006 -2.308 8.515 263 1HD ARG 37 1HD ARG 37 -16.355 -3.600 9.995 264 2HD ARG 37 2HD ARG 37 -17.648 -3.771 8.825 265 HE ARG 37 HE ARG 37 -15.628 -5.052 7.529 266 1HH1 ARG 37 2HH2 ARG 37 -16.731 -5.303 10.886 267 2HH1 ARG 37 1HH2 ARG 37 -16.238 -6.955 11.055 268 1HH2 ARG 37 1HH ARG 37 -15.209 -8.068 9.199 269 H ALA 38 H ALA 38 -17.046 2.097 6.505 270 HA ALA 38 HA ALA 38 -18.322 0.857 4.250 271 1HB ALA 38 1HB ALA 38 -18.347 3.400 5.651 272 2HB ALA 38 2HB ALA 38 -18.166 3.657 3.899 273 3HB ALA 38 3HB ALA 38 -19.546 2.722 4.523 274 H ALA 39 H ALA 39 -15.663 3.309 4.666 275 HA ALA 39 HA ALA 39 -14.841 3.269 2.024 276 1HB ALA 39 1HB ALA 39 -13.681 4.956 2.954 277 2HB ALA 39 2HB ALA 39 -13.954 4.309 4.590 278 3HB ALA 39 3HB ALA 39 -12.566 3.744 3.629 279 H ALA 40 H ALA 40 -12.942 2.267 1.018 280 HA ALA 40 HA ALA 40 -12.702 -0.488 1.878 281 1HB ALA 40 1HB ALA 40 -11.093 0.053 -0.400 282 2HB ALA 40 2HB ALA 40 -12.679 -0.755 -0.352 283 3HB ALA 40 3HB ALA 40 -12.584 1.006 -0.595 284 H ALA 41 H ALA 41 -10.365 2.089 0.804 285 HA ALA 41 HA ALA 41 -8.367 2.658 1.575 286 1HB ALA 41 1HB ALA 41 -9.798 2.152 3.862 287 2HB ALA 41 2HB ALA 41 -8.422 1.038 4.054 288 3HB ALA 41 3HB ALA 41 -8.133 2.780 3.831 289 H ALA 42 H ALA 42 -8.260 0.862 -0.353 290 HA ALA 42 HA ALA 42 -6.542 -1.301 0.650 291 1HB ALA 42 1HB ALA 42 -7.999 -1.129 -2.014 292 2HB ALA 42 2HB ALA 42 -7.208 -2.553 -1.296 293 3HB ALA 42 3HB ALA 42 -8.690 -1.893 -0.562 294 H ALA 43 H ALA 43 -6.999 0.778 -2.305 295 HA ALA 43 HA ALA 43 -4.507 0.474 -3.358 296 1HB ALA 43 1HB ALA 43 -5.868 1.663 -4.760 297 2HB ALA 43 2HB ALA 43 -6.652 2.543 -3.427 298 3HB ALA 43 3HB ALA 43 -5.048 3.051 -4.006 299 H VAL 44 H VAL 44 -5.464 2.133 -0.413 300 HA VAL 44 HA VAL 44 -2.896 3.511 -0.290 301 HB VAL 44 HB VAL 44 -5.579 3.881 0.806 302 1HG1 VAL 44 1HG1 VAL 44 -4.578 5.057 2.891 303 2HG1 VAL 44 2HG1 VAL 44 -4.808 3.293 2.933 304 3HG1 VAL 44 3HG1 VAL 44 -3.188 3.973 2.644 305 1HG2 VAL 44 1HG2 VAL 44 -5.191 5.984 0.139 306 2HG2 VAL 44 2HG2 VAL 44 -3.669 6.082 1.057 307 3HG2 VAL 44 3HG2 VAL 44 -3.680 5.366 -0.573 308 H ALA 45 H ALA 45 -4.741 0.782 1.041 309 HA ALA 45 HA ALA 45 -3.554 0.241 3.379 310 1HB ALA 45 1HB ALA 45 -5.285 -1.146 2.326 311 2HB ALA 45 2HB ALA 45 -4.117 -1.707 1.107 312 3HB ALA 45 3HB ALA 45 -3.902 -2.153 2.816 313 H ALA 46 H ALA 46 -2.227 -0.862 0.173 314 HA ALA 46 HA ALA 46 0.169 -1.811 1.214 315 1HB ALA 46 1HB ALA 46 -1.108 -1.744 -1.236 316 2HB ALA 46 2HB ALA 46 0.292 -0.678 -1.507 317 3HB ALA 46 3HB ALA 46 0.541 -2.351 -0.953 318 H ALA 47 H ALA 47 -0.718 1.418 -0.171 319 HA ALA 47 HA ALA 47 1.821 2.539 0.034 320 1HB ALA 47 1HB ALA 47 -0.486 4.334 0.502 321 2HB ALA 47 2HB ALA 47 0.756 4.374 -0.773 322 3HB ALA 47 3HB ALA 47 -0.644 3.286 -0.928 323 H THR 48 H THR 48 1.974 4.697 1.574 324 HA THR 48 HA THR 48 2.479 5.369 3.634 325 HB THR 48 HB THR 48 -0.052 3.853 4.450 326 HG1 THR 48 HG1 THR 48 -0.940 6.050 3.779 327 1HG2 THR 48 1HG2 THR 48 -0.150 5.288 6.266 328 2HG2 THR 48 2HG2 THR 48 1.614 5.368 6.036 329 3HG2 THR 48 3HG2 THR 48 0.568 6.638 5.355 330 H ALA 49 H ALA 49 4.444 4.300 3.882 331 HA ALA 49 HA ALA 49 4.815 1.661 4.466 332 1HB ALA 49 1HB ALA 49 6.995 2.289 5.046 333 2HB ALA 49 2HB ALA 49 6.467 3.647 4.023 334 3HB ALA 49 3HB ALA 49 6.465 3.814 5.795 335 H ALA 50 H ALA 50 3.425 4.199 6.462 336 HA ALA 50 HA ALA 50 3.836 2.723 8.910 337 1HB ALA 50 1HB ALA 50 3.842 5.282 8.613 338 2HB ALA 50 2HB ALA 50 2.072 5.152 8.475 339 3HB ALA 50 3HB ALA 50 2.890 4.627 9.966 340 H VAL 51 H VAL 51 2.640 0.984 7.194 341 HA VAL 51 HA VAL 51 0.039 0.692 8.431 342 HB VAL 51 HB VAL 51 0.478 1.033 5.470 343 1HG1 VAL 51 1HG1 VAL 51 -2.119 0.370 5.545 344 2HG1 VAL 51 2HG1 VAL 51 -0.829 -0.826 5.274 345 3HG1 VAL 51 3HG1 VAL 51 -1.541 -0.636 6.894 346 1HG2 VAL 51 1HG2 VAL 51 -0.101 3.096 6.410 347 2HG2 VAL 51 2HG2 VAL 51 -1.659 2.450 5.842 348 3HG2 VAL 51 3HG2 VAL 51 -1.235 2.361 7.568 349 H GLU 52 H GLU 52 1.859 -0.823 9.382 350 HA GLU 52 HA GLU 52 2.234 -3.108 7.650 351 1HB GLU 52 1HB GLU 52 3.905 -1.853 9.475 352 2HB GLU 52 2HB GLU 52 3.334 -3.228 10.401 353 1HG GLU 52 1HG GLU 52 3.943 -4.709 8.399 354 2HG GLU 52 2HG GLU 52 4.700 -3.305 7.673 355 HE2 GLU 52 HE2 GLU 52 6.922 -4.862 8.272 356 H GLY 53 H GLY 53 1.942 -5.352 8.707 357 1HA GLY 53 1HA GLY 53 0.421 -5.835 10.951 358 2HA GLY 53 2HA GLY 53 -0.736 -5.550 9.665 359 H THR 54 H THR 54 2.467 -7.258 10.000 360 HA THR 54 HA THR 54 3.171 -9.167 9.046 361 HB THR 54 HB THR 54 0.524 -9.929 10.377 362 HG1 THR 54 HG1 THR 54 2.239 -10.551 11.997 363 1HG2 THR 54 1HG2 THR 54 2.813 -11.628 9.290 364 2HG2 THR 54 2HG2 THR 54 1.817 -12.177 10.660 365 3HG2 THR 54 3HG2 THR 54 1.065 -11.879 9.074 366 H GLY 55 H GLY 55 3.012 -8.220 6.860 367 1HA GLY 55 1HA GLY 55 1.354 -9.947 5.205 368 2HA GLY 55 2HA GLY 55 1.017 -8.230 5.100 369 H GLY 56 H GLY 56 1.942 -9.686 2.860 370 1HA GLY 56 1HA GLY 56 3.884 -8.129 1.785 371 2HA GLY 56 2HA GLY 56 4.797 -9.379 2.607 372 H SER 57 H SER 57 3.984 -8.637 -0.377 373 HA SER 57 HA SER 57 3.072 -11.322 -1.052 374 1HB SER 57 1HB SER 57 1.955 -8.924 -1.797 375 2HB SER 57 2HB SER 57 3.035 -9.201 -3.149 376 HG SER 57 HG SER 57 1.984 -11.527 -2.976 377 H GLY 58 H GLY 58 3.999 -12.168 -3.211 378 1HA GLY 58 1HA GLY 58 6.766 -11.200 -3.602 379 2HA GLY 58 2HA GLY 58 6.392 -12.902 -3.422 380 H GLY 59 H GLY 59 6.895 -13.692 -5.466 381 1HA GLY 59 1HA GLY 59 5.197 -13.865 -7.487 382 2HA GLY 59 2HA GLY 59 5.882 -12.286 -7.814 383 H GLY 60 H GLY 60 6.450 -15.769 -7.767 384 1HA GLY 60 1HA GLY 60 8.275 -15.912 -9.747 385 2HA GLY 60 2HA GLY 60 9.274 -15.559 -8.351 386 HA PRO 61 HA PRO 61 7.224 -19.835 -7.858 387 1HB PRO 61 1HB PRO 61 6.513 -21.118 -10.164 388 2HB PRO 61 2HB PRO 61 5.370 -20.254 -9.157 389 1HG PRO 61 1HG PRO 61 6.536 -19.446 -11.750 390 2HG PRO 61 2HG PRO 61 5.107 -18.825 -10.948 391 1HD PRO 61 1HD PRO 61 7.679 -17.564 -11.090 392 2HD PRO 61 2HD PRO 61 6.284 -17.001 -10.192 393 H HIS 62 H HIS 62 8.568 -21.460 -7.314 394 HA HIS 62 HA HIS 62 11.031 -21.454 -8.813 395 1HB HIS 62 1HB HIS 62 11.183 -21.416 -6.413 396 2HB HIS 62 2HB HIS 62 10.151 -22.824 -6.262 397 HD1 HIS 62 HD1 HIS 62 11.213 -25.160 -6.666 398 HD2 HIS 62 HD2 HIS 62 13.870 -21.958 -7.194 399 HE1 HIS 62 HE1 HIS 62 13.548 -26.182 -6.790 400 H HIS 63 H HIS 63 8.703 -24.001 -7.650 401 HA HIS 63 HA HIS 63 9.616 -26.117 -8.986 402 1HB HIS 63 1HB HIS 63 7.740 -26.302 -7.530 403 2HB HIS 63 2HB HIS 63 6.767 -25.229 -8.516 404 HD1 HIS 63 HD1 HIS 63 5.299 -26.300 -10.265 405 HD2 HIS 63 HD2 HIS 63 8.281 -28.893 -8.858 406 HE1 HIS 63 HE1 HIS 63 4.804 -28.582 -11.292 407 H HIS 64 H HIS 64 10.142 -26.589 -11.057 408 HA HIS 64 HA HIS 64 8.579 -25.269 -13.143 409 1HB HIS 64 1HB HIS 64 10.899 -24.221 -12.638 410 2HB HIS 64 2HB HIS 64 11.557 -25.653 -13.403 411 HD1 HIS 64 HD1 HIS 64 11.542 -22.542 -14.450 412 HD2 HIS 64 HD2 HIS 64 9.294 -25.768 -15.910 413 HE1 HIS 64 HE1 HIS 64 10.915 -21.948 -16.851 414 H HIS 65 H HIS 65 11.228 -27.719 -12.652 415 HA HIS 65 HA HIS 65 10.864 -29.267 -14.777 416 1HB HIS 65 1HB HIS 65 12.494 -29.598 -12.917 417 2HB HIS 65 2HB HIS 65 11.218 -30.321 -11.958 418 HD1 HIS 65 HD1 HIS 65 12.234 -32.671 -11.848 419 HD2 HIS 65 HD2 HIS 65 11.694 -31.272 -15.765 420 HE1 HIS 65 HE1 HIS 65 12.643 -34.668 -13.383 421 H GLN 66 H GLN 66 9.583 -31.127 -15.374 422 HA GLN 66 HA GLN 66 6.882 -30.768 -14.788 423 1HB GLN 66 1HB GLN 66 6.531 -32.752 -16.197 424 2HB GLN 66 2HB GLN 66 7.722 -31.696 -16.929 425 1HG GLN 66 1HG GLN 66 9.562 -33.103 -16.155 426 2HG GLN 66 2HG GLN 66 8.484 -34.063 -15.161 427 1HE2 GLN 66 1HE2 GLN 66 9.876 -33.600 -18.223 428 2HE2 GLN 66 2HE2 GLN 66 9.068 -34.854 -19.103 429 H THR 67 H THR 67 5.455 -32.781 -14.091 430 HA THR 67 HA THR 67 5.950 -33.280 -11.414 431 HB THR 67 HB THR 67 4.320 -35.077 -13.264 432 HG1 THR 67 HG1 THR 67 2.734 -33.251 -12.951 433 1HG2 THR 67 1HG2 THR 67 3.528 -35.760 -11.223 434 2HG2 THR 67 2HG2 THR 67 4.414 -34.468 -10.379 435 3HG2 THR 67 3HG2 THR 67 2.809 -34.139 -11.075 436 H ARG 68 H ARG 68 6.311 -35.377 -10.306 437 HA ARG 68 HA ARG 68 7.546 -37.090 -9.855 438 1HB ARG 68 1HB ARG 68 6.395 -38.111 -11.867 439 2HB ARG 68 2HB ARG 68 7.727 -37.577 -12.872 440 1HG ARG 68 1HG ARG 68 9.295 -38.910 -11.349 441 2HG ARG 68 2HG ARG 68 7.873 -39.561 -10.557 442 1HD ARG 68 1HD ARG 68 8.152 -41.214 -12.159 443 2HD ARG 68 2HD ARG 68 7.154 -40.121 -13.097 444 HE ARG 68 HE ARG 68 9.688 -39.180 -13.617 445 1HH1 ARG 68 2HH2 ARG 68 8.257 -42.417 -13.789 446 2HH1 ARG 68 1HH2 ARG 68 9.307 -42.949 -15.060 447 1HH2 ARG 68 1HH ARG 68 10.956 -41.442 -15.928 448 H GLY 69 H GLY 69 9.444 -36.236 -8.980 449 1HA GLY 69 1HA GLY 69 11.762 -36.119 -10.744 450 2HA GLY 69 2HA GLY 69 11.311 -34.625 -9.948 451 H ALA 70 H ALA 70 11.957 -38.127 -9.260 452 HA ALA 70 HA ALA 70 13.557 -37.323 -6.989 453 1HB ALA 70 1HB ALA 70 10.892 -38.694 -6.786 454 2HB ALA 70 2HB ALA 70 12.193 -39.200 -5.681 455 3HB ALA 70 3HB ALA 70 11.646 -37.506 -5.697 456 H TYR 71 H TYR 71 15.318 -38.656 -6.805 457 HA TYR 71 HA TYR 71 15.451 -40.856 -8.695 458 1HB TYR 71 1HB TYR 71 17.224 -39.041 -7.065 459 2HB TYR 71 2HB TYR 71 17.855 -40.663 -7.276 460 HD1 TYR 71 HD1 TYR 71 17.486 -37.427 -8.758 461 HD2 TYR 71 HD2 TYR 71 18.055 -41.562 -9.695 462 HE1 TYR 71 HE1 TYR 71 18.368 -36.792 -11.056 463 HE2 TYR 71 HE2 TYR 71 18.934 -40.914 -11.990 464 HH TYR 71 HH TYR 71 18.756 -39.083 -13.532 465 H SER 72 H SER 72 15.547 -43.016 -8.164 466 HA SER 72 HA SER 72 15.300 -43.563 -5.312 467 1HB SER 72 1HB SER 72 14.327 -45.150 -7.728 468 2HB SER 72 2HB SER 72 14.221 -45.727 -6.077 469 HG SER 72 HG SER 72 12.637 -43.861 -7.418 470 H SER 73 H SER 73 17.258 -44.211 -4.482 471 HA SER 73 HA SER 73 18.517 -46.460 -5.657 472 1HB SER 73 1HB SER 73 19.584 -43.741 -6.151 473 2HB SER 73 2HB SER 73 20.770 -44.841 -5.477 474 HG SER 73 HG SER 73 20.963 -45.329 -7.591 475 H HIS 74 H HIS 74 17.938 -47.272 -3.518 476 HA HIS 74 HA HIS 74 20.000 -46.926 -1.639 477 1HB HIS 74 1HB HIS 74 19.053 -44.902 -0.951 478 2HB HIS 74 2HB HIS 74 17.410 -45.477 -1.153 479 HD1 HIS 74 HD1 HIS 74 20.423 -46.102 1.128 480 HD2 HIS 74 HD2 HIS 74 16.238 -46.380 1.158 481 HE1 HIS 74 HE1 HIS 74 19.765 -46.714 3.516 482 H ASP 75 H ASP 75 19.906 -48.559 0.014 483 HA ASP 75 HA ASP 75 19.538 -50.637 0.576 484 1HB ASP 75 1HB ASP 75 17.573 -49.167 1.598 485 2HB ASP 75 2HB ASP 75 16.560 -50.074 0.494 486 HD2 ASP 75 HD2 ASP 75 17.292 -51.264 3.965 Start of MODEL 10 1 H MET 1 H MET 1 -26.309 8.246 -35.854 2 HA MET 1 HA MET 1 -23.477 8.958 -35.859 3 1HB MET 1 1HB MET 1 -25.564 10.614 -36.479 4 2HB MET 1 2HB MET 1 -25.580 10.816 -34.738 5 1HG MET 1 1HG MET 1 -23.411 11.764 -34.687 6 2HG MET 1 2HG MET 1 -22.941 11.034 -36.209 7 1HE MET 1 1HE MET 1 -22.721 13.929 -38.094 8 2HE MET 1 2HE MET 1 -22.338 12.232 -37.717 9 3HE MET 1 3HE MET 1 -23.677 12.617 -38.824 10 H GLU 2 H GLU 2 -22.846 10.056 -33.625 11 HA GLU 2 HA GLU 2 -23.362 8.076 -31.680 12 1HB GLU 2 1HB GLU 2 -21.333 9.922 -32.176 13 2HB GLU 2 2HB GLU 2 -22.087 10.571 -30.734 14 1HG GLU 2 1HG GLU 2 -21.735 8.523 -29.501 15 2HG GLU 2 2HG GLU 2 -21.338 7.627 -30.954 16 HE2 GLU 2 HE2 GLU 2 -19.439 8.462 -32.071 17 H VAL 3 H VAL 3 -25.419 8.013 -30.813 18 HA VAL 3 HA VAL 3 -26.980 10.324 -30.433 19 HB VAL 3 HB VAL 3 -27.206 7.561 -29.221 20 1HG1 VAL 3 1HG1 VAL 3 -29.611 8.111 -28.994 21 2HG1 VAL 3 2HG1 VAL 3 -28.574 9.172 -28.012 22 3HG1 VAL 3 3HG1 VAL 3 -29.267 9.770 -29.539 23 1HG2 VAL 3 1HG2 VAL 3 -29.070 8.057 -31.347 24 2HG2 VAL 3 2HG2 VAL 3 -27.423 8.401 -31.928 25 3HG2 VAL 3 3HG2 VAL 3 -27.806 6.809 -31.231 26 H ALA 4 H ALA 4 -27.822 11.069 -28.263 27 HA ALA 4 HA ALA 4 -25.596 11.706 -26.612 28 1HB ALA 4 1HB ALA 4 -28.438 12.451 -26.921 29 2HB ALA 4 2HB ALA 4 -27.858 12.487 -25.238 30 3HB ALA 4 3HB ALA 4 -27.034 13.454 -26.485 31 H MET 5 H MET 5 -24.785 10.561 -24.929 32 HA MET 5 HA MET 5 -26.123 8.166 -24.183 33 1HB MET 5 1HB MET 5 -23.573 8.562 -24.401 34 2HB MET 5 2HB MET 5 -23.663 9.483 -22.913 35 1HG MET 5 1HG MET 5 -24.781 7.376 -21.867 36 2HG MET 5 2HG MET 5 -24.257 6.519 -23.303 37 1HE MET 5 1HE MET 5 -23.040 6.675 -19.732 38 2HE MET 5 2HE MET 5 -23.576 5.433 -20.888 39 3HE MET 5 3HE MET 5 -21.870 5.503 -20.385 40 H VAL 6 H VAL 6 -27.942 8.379 -22.912 41 HA VAL 6 HA VAL 6 -27.709 10.184 -20.607 42 HB VAL 6 HB VAL 6 -30.281 9.117 -21.738 43 1HG1 VAL 6 1HG1 VAL 6 -30.415 10.169 -19.556 44 2HG1 VAL 6 2HG1 VAL 6 -29.548 11.603 -20.156 45 3HG1 VAL 6 3HG1 VAL 6 -31.175 11.225 -20.771 46 1HG2 VAL 6 1HG2 VAL 6 -30.060 11.693 -22.741 47 2HG2 VAL 6 2HG2 VAL 6 -28.445 11.001 -23.022 48 3HG2 VAL 6 3HG2 VAL 6 -29.888 10.185 -23.670 49 H SER 7 H SER 7 -28.870 9.407 -18.603 50 HA SER 7 HA SER 7 -27.993 6.778 -18.079 51 1HB SER 7 1HB SER 7 -29.184 9.043 -16.548 52 2HB SER 7 2HB SER 7 -29.512 7.453 -15.889 53 HG SER 7 HG SER 7 -26.988 8.764 -16.273 54 H ALA 8 H ALA 8 -29.166 5.228 -19.265 55 HA ALA 8 HA ALA 8 -32.008 5.394 -19.471 56 1HB ALA 8 1HB ALA 8 -30.723 2.801 -20.029 57 2HB ALA 8 2HB ALA 8 -31.694 3.848 -21.093 58 3HB ALA 8 3HB ALA 8 -29.957 4.169 -20.871 59 H GLU 9 H GLU 9 -32.767 5.492 -17.285 60 HA GLU 9 HA GLU 9 -33.109 2.913 -16.173 61 1HB GLU 9 1HB GLU 9 -30.796 3.991 -15.320 62 2HB GLU 9 2HB GLU 9 -31.865 4.822 -14.208 63 1HG GLU 9 1HG GLU 9 -32.772 2.140 -14.188 64 2HG GLU 9 2HG GLU 9 -31.024 2.010 -14.218 65 HE2 GLU 9 HE2 GLU 9 -32.637 4.136 -11.208 66 H SER 10 H SER 10 -34.466 3.135 -14.021 67 HA SER 10 HA SER 10 -36.581 4.888 -14.663 68 1HB SER 10 1HB SER 10 -36.041 2.940 -12.399 69 2HB SER 10 2HB SER 10 -37.456 3.974 -12.369 70 HG SER 10 HG SER 10 -36.801 1.853 -14.179 71 H SER 11 H SER 11 -37.070 6.906 -13.803 72 HA SER 11 HA SER 11 -35.043 8.113 -12.223 73 1HB SER 11 1HB SER 11 -36.127 9.402 -13.990 74 2HB SER 11 2HB SER 11 -37.711 9.122 -13.295 75 HG SER 11 HG SER 11 -36.997 10.335 -11.387 76 H GLY 12 H GLY 12 -34.990 8.201 -10.004 77 1HA GLY 12 1HA GLY 12 -36.325 8.855 -8.040 78 2HA GLY 12 2HA GLY 12 -37.533 7.702 -8.572 79 H CYS 13 H CYS 13 -37.392 5.579 -7.902 80 HA CYS 13 HA CYS 13 -36.720 3.934 -6.585 81 1HB CYS 13 1HB CYS 13 -34.664 4.305 -8.659 82 2HB CYS 13 2HB CYS 13 -34.097 3.402 -7.269 83 HG CYS 13 HG CYS 13 -36.194 1.766 -7.176 84 H ASN 14 H ASN 14 -36.827 5.926 -4.905 85 HA ASN 14 HA ASN 14 -34.185 6.375 -3.808 86 1HB ASN 14 1HB ASN 14 -36.694 7.881 -3.916 87 2HB ASN 14 2HB ASN 14 -36.177 7.718 -2.250 88 1HD2 ASN 14 1HD2 ASN 14 -34.162 8.508 -1.593 89 2HD2 ASN 14 2HD2 ASN 14 -33.305 9.723 -2.481 90 H SER 15 H SER 15 -35.800 3.777 -3.669 91 HA SER 15 HA SER 15 -36.237 2.201 -2.244 92 1HB SER 15 1HB SER 15 -34.016 3.192 -1.219 93 2HB SER 15 2HB SER 15 -35.062 3.778 0.059 94 HG SER 15 HG SER 15 -35.851 1.329 -0.089 95 H HIS 16 H HIS 16 -38.544 2.694 -2.487 96 HA HIS 16 HA HIS 16 -39.694 4.351 -0.407 97 1HB HIS 16 1HB HIS 16 -41.835 3.788 -1.716 98 2HB HIS 16 2HB HIS 16 -40.655 4.854 -2.453 99 HD1 HIS 16 HD1 HIS 16 -42.222 1.463 -2.805 100 HD2 HIS 16 HD2 HIS 16 -39.270 3.767 -4.695 101 HE1 HIS 16 HE1 HIS 16 -41.721 0.304 -5.023 102 H MET 17 H MET 17 -38.379 2.043 0.572 103 HA MET 17 HA MET 17 -39.674 -0.255 0.790 104 1HB MET 17 1HB MET 17 -38.181 1.462 2.804 105 2HB MET 17 2HB MET 17 -38.892 -0.040 3.361 106 1HG MET 17 1HG MET 17 -37.161 -0.018 0.864 107 2HG MET 17 2HG MET 17 -36.412 -0.043 2.448 108 1HE MET 17 1HE MET 17 -36.446 -2.397 4.062 109 2HE MET 17 2HE MET 17 -36.002 -3.601 2.828 110 3HE MET 17 3HE MET 17 -35.353 -1.946 2.731 111 HA PRO 18 HA PRO 18 -43.430 0.314 2.888 112 1HB PRO 18 1HB PRO 18 -43.711 -1.987 4.336 113 2HB PRO 18 2HB PRO 18 -44.039 -1.890 2.617 114 1HG PRO 18 1HG PRO 18 -41.719 -3.095 3.996 115 2HG PRO 18 2HG PRO 18 -42.275 -3.352 2.354 116 1HD PRO 18 1HD PRO 18 -40.043 -1.750 3.180 117 2HD PRO 18 2HD PRO 18 -40.670 -1.915 1.552 118 H TYR 19 H TYR 19 -44.454 -0.447 5.340 119 HA TYR 19 HA TYR 19 -43.233 1.586 6.936 120 1HB TYR 19 1HB TYR 19 -45.225 -0.571 7.807 121 2HB TYR 19 2HB TYR 19 -45.169 1.099 8.335 122 HD1 TYR 19 HD1 TYR 19 -45.901 2.926 6.739 123 HD2 TYR 19 HD2 TYR 19 -46.524 -1.226 5.920 124 HE1 TYR 19 HE1 TYR 19 -47.666 3.525 5.010 125 HE2 TYR 19 HE2 TYR 19 -48.287 -0.614 4.193 126 HH TYR 19 HH TYR 19 -49.890 1.804 4.038 127 H GLY 20 H GLY 20 -42.055 1.373 8.862 128 1HA GLY 20 1HA GLY 20 -41.521 -0.310 10.654 129 2HA GLY 20 2HA GLY 20 -40.988 -1.342 9.342 130 H TYR 21 H TYR 21 -40.310 1.696 8.200 131 HA TYR 21 HA TYR 21 -37.526 1.402 8.688 132 1HB TYR 21 1HB TYR 21 -39.218 2.577 6.824 133 2HB TYR 21 2HB TYR 21 -38.804 3.990 7.775 134 HD1 TYR 21 HD1 TYR 21 -36.959 1.035 6.349 135 HD2 TYR 21 HD2 TYR 21 -37.095 5.276 6.901 136 HE1 TYR 21 HE1 TYR 21 -34.788 1.281 5.050 137 HE2 TYR 21 HE2 TYR 21 -34.923 5.507 5.600 138 HH TYR 21 HH TYR 21 -32.886 3.844 5.190 139 H ALA 22 H ALA 22 -40.177 3.046 10.312 140 HA ALA 22 HA ALA 22 -38.641 5.082 11.525 141 1HB ALA 22 1HB ALA 22 -40.850 5.620 11.675 142 2HB ALA 22 2HB ALA 22 -41.369 3.918 11.723 143 3HB ALA 22 3HB ALA 22 -40.762 4.706 13.199 144 H ALA 23 H ALA 23 -39.133 1.635 12.125 145 HA ALA 23 HA ALA 23 -38.073 1.842 14.815 146 1HB ALA 23 1HB ALA 23 -39.860 0.143 13.529 147 2HB ALA 23 2HB ALA 23 -38.377 -0.835 13.639 148 3HB ALA 23 3HB ALA 23 -39.101 -0.147 15.113 149 H GLN 24 H GLN 24 -36.810 2.003 11.729 150 HA GLN 24 HA GLN 24 -34.563 0.289 12.274 151 1HB GLN 24 1HB GLN 24 -35.810 1.470 9.913 152 2HB GLN 24 2HB GLN 24 -34.087 1.788 9.912 153 1HG GLN 24 1HG GLN 24 -34.576 -0.361 8.786 154 2HG GLN 24 2HG GLN 24 -33.606 -0.624 10.222 155 1HE2 GLN 24 1HE2 GLN 24 -36.099 -1.786 8.519 156 2HE2 GLN 24 2HE2 GLN 24 -37.038 -2.573 9.743 157 H ALA 25 H ALA 25 -35.510 3.316 13.261 158 HA ALA 25 HA ALA 25 -33.305 4.933 12.717 159 1HB ALA 25 1HB ALA 25 -34.477 6.428 13.953 160 2HB ALA 25 2HB ALA 25 -35.752 5.186 13.965 161 3HB ALA 25 3HB ALA 25 -34.622 5.314 15.334 162 H ARG 26 H ARG 26 -33.697 2.135 14.763 163 HA ARG 26 HA ARG 26 -31.727 2.838 16.633 164 1HB ARG 26 1HB ARG 26 -33.636 0.884 16.506 165 2HB ARG 26 2HB ARG 26 -32.242 -0.060 16.023 166 1HG ARG 26 1HG ARG 26 -31.791 1.718 18.377 167 2HG ARG 26 2HG ARG 26 -32.955 0.435 18.640 168 1HD ARG 26 1HD ARG 26 -31.209 -1.193 17.664 169 2HD ARG 26 2HD ARG 26 -30.058 0.127 17.729 170 HE ARG 26 HE ARG 26 -31.362 -0.133 20.284 171 1HH1 ARG 26 2HH2 ARG 26 -28.940 -1.739 18.257 172 2HH1 ARG 26 1HH2 ARG 26 -28.103 -2.444 19.599 173 1HH2 ARG 26 1HH ARG 26 -28.895 -2.032 21.823 174 H ALA 27 H ALA 27 -31.761 1.327 13.414 175 HA ALA 27 HA ALA 27 -29.176 0.178 13.579 176 1HB ALA 27 1HB ALA 27 -31.160 0.822 11.394 177 2HB ALA 27 2HB ALA 27 -29.517 0.277 10.982 178 3HB ALA 27 3HB ALA 27 -30.581 -0.763 11.958 179 H ARG 28 H ARG 28 -30.492 3.393 12.826 180 HA ARG 28 HA ARG 28 -28.307 4.365 11.456 181 1HB ARG 28 1HB ARG 28 -30.745 5.362 12.046 182 2HB ARG 28 2HB ARG 28 -29.855 6.173 13.319 183 1HG ARG 28 1HG ARG 28 -28.831 7.602 11.858 184 2HG ARG 28 2HG ARG 28 -28.464 6.322 10.719 185 1HD ARG 28 1HD ARG 28 -31.048 6.388 10.172 186 2HD ARG 28 2HD ARG 28 -31.014 7.955 10.955 187 HE ARG 28 HE ARG 28 -28.859 7.945 9.127 188 1HH1 ARG 28 2HH2 ARG 28 -32.391 7.707 8.982 189 2HH1 ARG 28 1HH2 ARG 28 -32.498 8.411 7.403 190 1HH2 ARG 28 1HH ARG 28 -30.491 9.089 6.282 191 H GLU 29 H GLU 29 -28.942 3.849 14.916 192 HA GLU 29 HA GLU 29 -26.767 5.504 15.728 193 1HB GLU 29 1HB GLU 29 -28.943 4.984 17.043 194 2HB GLU 29 2HB GLU 29 -28.209 3.442 17.435 195 1HG GLU 29 1HG GLU 29 -26.408 5.763 17.876 196 2HG GLU 29 2HG GLU 29 -27.851 5.795 18.870 197 HE2 GLU 29 HE2 GLU 29 -26.898 3.946 21.077 198 H ARG 30 H ARG 30 -27.289 2.167 14.759 199 HA ARG 30 HA ARG 30 -24.852 1.320 16.017 200 1HB ARG 30 1HB ARG 30 -27.179 0.015 14.673 201 2HB ARG 30 2HB ARG 30 -25.646 -0.790 14.405 202 1HG ARG 30 1HG ARG 30 -26.163 0.052 17.227 203 2HG ARG 30 2HG ARG 30 -27.230 -1.195 16.614 204 1HD ARG 30 1HD ARG 30 -25.330 -2.327 17.599 205 2HD ARG 30 2HD ARG 30 -25.172 -2.497 15.862 206 HE ARG 30 HE ARG 30 -23.805 -0.137 16.964 207 1HH1 ARG 30 2HH2 ARG 30 -23.491 -3.563 16.115 208 2HH1 ARG 30 1HH2 ARG 30 -21.764 -3.502 15.994 209 1HH2 ARG 30 1HH ARG 30 -20.631 -1.430 16.402 210 H GLU 31 H GLU 31 -26.117 2.373 12.879 211 HA GLU 31 HA GLU 31 -24.066 1.257 11.326 212 1HB GLU 31 1HB GLU 31 -26.288 3.216 10.941 213 2HB GLU 31 2HB GLU 31 -24.949 3.365 9.820 214 1HG GLU 31 1HG GLU 31 -25.250 1.182 8.951 215 2HG GLU 31 2HG GLU 31 -26.104 0.621 10.375 216 HE2 GLU 31 HE2 GLU 31 -26.628 1.116 7.421 217 H ARG 32 H ARG 32 -24.238 3.974 13.491 218 HA ARG 32 HA ARG 32 -22.471 5.689 12.268 219 1HB ARG 32 1HB ARG 32 -23.954 5.920 14.453 220 2HB ARG 32 2HB ARG 32 -22.537 5.310 15.283 221 1HG ARG 32 1HG ARG 32 -21.386 7.271 15.024 222 2HG ARG 32 2HG ARG 32 -21.887 7.456 13.355 223 1HD ARG 32 1HD ARG 32 -24.014 7.855 15.440 224 2HD ARG 32 2HD ARG 32 -22.770 9.086 15.348 225 HE ARG 32 HE ARG 32 -23.453 8.796 12.709 226 1HH1 ARG 32 2HH2 ARG 32 -25.424 9.265 15.615 227 2HH1 ARG 32 1HH2 ARG 32 -26.692 10.091 14.773 228 1HH2 ARG 32 1HH ARG 32 -26.495 10.445 12.410 229 H LEU 33 H LEU 33 -21.997 2.670 14.072 230 HA LEU 33 HA LEU 33 -19.148 3.150 14.335 231 1HB LEU 33 1HB LEU 33 -21.068 1.740 15.796 232 2HB LEU 33 2HB LEU 33 -20.082 0.500 15.046 233 HG LEU 33 HG LEU 33 -19.267 1.051 17.272 234 1HD1 LEU 33 1HD1 LEU 33 -16.980 1.153 16.781 235 2HD1 LEU 33 2HD1 LEU 33 -17.717 0.440 15.326 236 3HD1 LEU 33 3HD1 LEU 33 -17.239 2.154 15.332 237 1HD2 LEU 33 1HD2 LEU 33 -19.643 3.165 17.931 238 2HD2 LEU 33 2HD2 LEU 33 -18.041 3.478 17.220 239 3HD2 LEU 33 3HD2 LEU 33 -19.514 3.818 16.279 240 H ALA 34 H ALA 34 -21.384 1.957 12.024 241 HA ALA 34 HA ALA 34 -19.602 -0.015 10.914 242 1HB ALA 34 1HB ALA 34 -22.328 1.110 10.261 243 2HB ALA 34 2HB ALA 34 -21.449 0.133 9.060 244 3HB ALA 34 3HB ALA 34 -21.862 -0.565 10.645 245 H HIS 35 H HIS 35 -19.334 3.231 11.153 246 HA HIS 35 HA HIS 35 -18.716 3.726 8.369 247 1HB HIS 35 1HB HIS 35 -19.115 5.384 10.817 248 2HB HIS 35 2HB HIS 35 -18.045 6.021 9.583 249 HD1 HIS 35 HD1 HIS 35 -21.652 4.912 10.070 250 HD2 HIS 35 HD2 HIS 35 -19.305 7.054 7.331 251 HE1 HIS 35 HE1 HIS 35 -23.278 5.984 8.420 252 H SER 36 H SER 36 -17.213 2.454 11.160 253 HA SER 36 HA SER 36 -14.625 3.508 10.477 254 1HB SER 36 1HB SER 36 -15.815 2.670 12.860 255 2HB SER 36 2HB SER 36 -14.736 1.342 12.485 256 HG SER 36 HG SER 36 -13.218 3.414 12.016 257 H ARG 37 H ARG 37 -16.677 0.781 9.784 258 HA ARG 37 HA ARG 37 -14.453 -0.921 9.163 259 1HB ARG 37 1HB ARG 37 -17.022 -1.435 10.027 260 2HB ARG 37 2HB ARG 37 -17.212 -1.704 8.306 261 1HG ARG 37 1HG ARG 37 -15.498 -3.406 8.276 262 2HG ARG 37 2HG ARG 37 -14.926 -2.966 9.873 263 1HD ARG 37 1HD ARG 37 -16.340 -4.497 10.774 264 2HD ARG 37 2HD ARG 37 -17.700 -3.558 10.190 265 HE ARG 37 HE ARG 37 -16.980 -4.925 7.931 266 1HH1 ARG 37 2HH2 ARG 37 -17.532 -6.018 11.256 267 2HH1 ARG 37 1HH2 ARG 37 -18.053 -7.600 10.782 268 1HH2 ARG 37 1HH ARG 37 -18.125 -8.163 8.453 269 H ALA 38 H ALA 38 -15.420 1.745 7.714 270 HA ALA 38 HA ALA 38 -16.316 1.060 5.170 271 1HB ALA 38 1HB ALA 38 -16.170 3.303 4.823 272 2HB ALA 38 2HB ALA 38 -15.833 3.365 6.570 273 3HB ALA 38 3HB ALA 38 -14.489 3.386 5.403 274 H ALA 39 H ALA 39 -12.956 1.628 6.428 275 HA ALA 39 HA ALA 39 -11.882 0.651 3.920 276 1HB ALA 39 1HB ALA 39 -9.697 1.212 5.092 277 2HB ALA 39 2HB ALA 39 -10.809 2.583 4.861 278 3HB ALA 39 3HB ALA 39 -10.672 1.807 6.458 279 H ALA 40 H ALA 40 -12.913 -1.524 4.206 280 HA ALA 40 HA ALA 40 -11.793 -3.134 6.337 281 1HB ALA 40 1HB ALA 40 -13.650 -3.905 4.052 282 2HB ALA 40 2HB ALA 40 -13.350 -4.817 5.551 283 3HB ALA 40 3HB ALA 40 -14.202 -3.256 5.615 284 H ALA 41 H ALA 41 -12.041 -3.424 2.715 285 HA ALA 41 HA ALA 41 -10.700 -4.387 1.237 286 1HB ALA 41 1HB ALA 41 -8.305 -3.821 1.413 287 2HB ALA 41 2HB ALA 41 -9.322 -2.423 1.833 288 3HB ALA 41 3HB ALA 41 -8.532 -3.366 3.118 289 H ALA 42 H ALA 42 -11.856 -6.308 2.664 290 HA ALA 42 HA ALA 42 -9.746 -8.004 3.758 291 1HB ALA 42 1HB ALA 42 -11.355 -8.607 5.203 292 2HB ALA 42 2HB ALA 42 -12.477 -7.481 4.401 293 3HB ALA 42 3HB ALA 42 -12.376 -9.173 3.859 294 H ALA 43 H ALA 43 -12.587 -8.256 1.494 295 HA ALA 43 HA ALA 43 -12.002 -10.682 0.408 296 1HB ALA 43 1HB ALA 43 -13.100 -8.208 -0.990 297 2HB ALA 43 2HB ALA 43 -13.292 -9.889 -1.542 298 3HB ALA 43 3HB ALA 43 -14.045 -9.362 -0.018 299 H VAL 44 H VAL 44 -10.252 -7.652 0.089 300 HA VAL 44 HA VAL 44 -8.770 -8.690 -2.199 301 HB VAL 44 HB VAL 44 -9.445 -6.069 -1.099 302 1HG1 VAL 44 1HG1 VAL 44 -7.363 -4.944 -1.762 303 2HG1 VAL 44 2HG1 VAL 44 -7.085 -6.088 -0.427 304 3HG1 VAL 44 3HG1 VAL 44 -6.608 -6.523 -2.086 305 1HG2 VAL 44 1HG2 VAL 44 -9.506 -5.431 -3.346 306 2HG2 VAL 44 2HG2 VAL 44 -8.305 -6.653 -3.830 307 3HG2 VAL 44 3HG2 VAL 44 -9.959 -7.152 -3.401 308 H ALA 45 H ALA 45 -8.563 -8.039 1.288 309 HA ALA 45 HA ALA 45 -5.938 -7.889 1.791 310 1HB ALA 45 1HB ALA 45 -7.983 -9.654 3.198 311 2HB ALA 45 2HB ALA 45 -6.436 -9.113 3.893 312 3HB ALA 45 3HB ALA 45 -7.700 -7.923 3.501 313 H ALA 46 H ALA 46 -7.752 -10.985 1.210 314 HA ALA 46 HA ALA 46 -5.437 -12.580 1.299 315 1HB ALA 46 1HB ALA 46 -7.934 -13.288 -0.246 316 2HB ALA 46 2HB ALA 46 -6.893 -14.331 0.753 317 3HB ALA 46 3HB ALA 46 -7.983 -13.156 1.528 318 H ALA 47 H ALA 47 -7.428 -11.320 -1.471 319 HA ALA 47 HA ALA 47 -5.685 -12.312 -3.436 320 1HB ALA 47 1HB ALA 47 -7.026 -11.010 -4.947 321 2HB ALA 47 2HB ALA 47 -8.116 -11.616 -3.678 322 3HB ALA 47 3HB ALA 47 -7.559 -9.926 -3.640 323 H THR 48 H THR 48 -5.019 -10.242 -5.134 324 HA THR 48 HA THR 48 -3.336 -8.838 -5.531 325 HB THR 48 HB THR 48 -4.386 -7.664 -2.903 326 HG1 THR 48 HG1 THR 48 -4.821 -7.346 -5.786 327 1HG2 THR 48 1HG2 THR 48 -2.061 -6.817 -3.897 328 2HG2 THR 48 2HG2 THR 48 -3.093 -6.093 -5.152 329 3HG2 THR 48 3HG2 THR 48 -3.308 -5.630 -3.447 330 H ALA 49 H ALA 49 -2.125 -11.009 -5.032 331 HA ALA 49 HA ALA 49 -0.739 -11.435 -2.727 332 1HB ALA 49 1HB ALA 49 0.266 -11.806 -5.578 333 2HB ALA 49 2HB ALA 49 0.836 -12.675 -4.132 334 3HB ALA 49 3HB ALA 49 -0.825 -12.922 -4.723 335 H ALA 50 H ALA 50 1.464 -10.926 -2.042 336 HA ALA 50 HA ALA 50 2.079 -8.160 -2.603 337 1HB ALA 50 1HB ALA 50 2.686 -8.263 -0.445 338 2HB ALA 50 2HB ALA 50 2.386 -10.018 -0.431 339 3HB ALA 50 3HB ALA 50 3.993 -9.393 -0.874 340 H VAL 51 H VAL 51 2.371 -9.474 -4.967 341 HA VAL 51 HA VAL 51 5.280 -9.510 -5.243 342 HB VAL 51 HB VAL 51 3.407 -11.554 -6.452 343 1HG1 VAL 51 1HG1 VAL 51 5.680 -10.707 -7.582 344 2HG1 VAL 51 2HG1 VAL 51 6.374 -11.884 -6.442 345 3HG1 VAL 51 3HG1 VAL 51 5.163 -12.409 -7.637 346 1HG2 VAL 51 1HG2 VAL 51 5.056 -13.038 -4.946 347 2HG2 VAL 51 2HG2 VAL 51 5.054 -11.553 -3.965 348 3HG2 VAL 51 3HG2 VAL 51 3.522 -12.382 -4.329 349 H GLU 52 H GLU 52 4.005 -7.220 -5.711 350 HA GLU 52 HA GLU 52 3.433 -7.278 -8.570 351 1HB GLU 52 1HB GLU 52 1.794 -6.338 -6.610 352 2HB GLU 52 2HB GLU 52 2.704 -4.877 -6.936 353 1HG GLU 52 1HG GLU 52 0.850 -4.778 -8.435 354 2HG GLU 52 2HG GLU 52 2.202 -5.269 -9.436 355 HE2 GLU 52 HE2 GLU 52 0.221 -7.861 -10.506 356 H GLY 53 H GLY 53 4.142 -5.245 -9.788 357 1HA GLY 53 1HA GLY 53 5.827 -3.307 -8.998 358 2HA GLY 53 2HA GLY 53 6.900 -4.689 -9.098 359 H THR 54 H THR 54 6.328 -6.130 -11.247 360 HA THR 54 HA THR 54 6.523 -6.234 -13.459 361 HB THR 54 HB THR 54 4.697 -3.788 -13.230 362 HG1 THR 54 HG1 THR 54 3.579 -5.614 -12.556 363 1HG2 THR 54 1HG2 THR 54 6.000 -4.793 -15.577 364 2HG2 THR 54 2HG2 THR 54 4.334 -5.420 -15.613 365 3HG2 THR 54 3HG2 THR 54 4.624 -3.666 -15.510 366 H GLY 55 H GLY 55 7.887 -5.625 -15.149 367 1HA GLY 55 1HA GLY 55 9.356 -3.098 -14.730 368 2HA GLY 55 2HA GLY 55 10.207 -4.616 -14.936 369 H GLY 56 H GLY 56 10.979 -2.946 -16.791 370 1HA GLY 56 1HA GLY 56 9.492 -3.757 -19.204 371 2HA GLY 56 2HA GLY 56 9.922 -2.078 -18.952 372 H SER 57 H SER 57 11.633 -1.547 -20.239 373 HA SER 57 HA SER 57 13.585 -1.590 -21.184 374 1HB SER 57 1HB SER 57 14.275 -3.542 -18.947 375 2HB SER 57 2HB SER 57 15.466 -2.894 -20.058 376 HG SER 57 HG SER 57 13.764 -1.321 -18.316 377 H GLY 58 H GLY 58 14.669 -2.684 -22.914 378 1HA GLY 58 1HA GLY 58 14.945 -5.358 -23.349 379 2HA GLY 58 2HA GLY 58 13.309 -5.024 -23.882 380 H GLY 59 H GLY 59 15.052 -5.903 -25.798 381 1HA GLY 59 1HA GLY 59 14.991 -3.830 -27.713 382 2HA GLY 59 2HA GLY 59 16.623 -4.003 -27.100 383 H GLY 60 H GLY 60 17.172 -4.695 -29.342 384 1HA GLY 60 1HA GLY 60 16.844 -7.596 -29.599 385 2HA GLY 60 2HA GLY 60 16.307 -6.585 -30.926 386 HA PRO 61 HA PRO 61 20.921 -7.255 -31.035 387 1HB PRO 61 1HB PRO 61 21.173 -9.472 -32.613 388 2HB PRO 61 2HB PRO 61 21.265 -9.526 -30.864 389 1HG PRO 61 1HG PRO 61 19.052 -10.376 -32.631 390 2HG PRO 61 2HG PRO 61 19.345 -10.800 -30.956 391 1HD PRO 61 1HD PRO 61 17.421 -8.913 -31.938 392 2HD PRO 61 2HD PRO 61 17.794 -9.252 -30.259 393 H HIS 62 H HIS 62 20.767 -5.246 -32.100 394 HA HIS 62 HA HIS 62 21.357 -5.560 -34.861 395 1HB HIS 62 1HB HIS 62 19.099 -5.657 -35.347 396 2HB HIS 62 2HB HIS 62 18.645 -4.615 -34.014 397 HD1 HIS 62 HD1 HIS 62 21.096 -3.902 -36.881 398 HD2 HIS 62 HD2 HIS 62 17.511 -2.456 -35.252 399 HE1 HIS 62 HE1 HIS 62 20.515 -1.792 -38.192 400 H HIS 63 H HIS 63 23.000 -4.150 -35.166 401 HA HIS 63 HA HIS 63 22.749 -1.443 -34.468 402 1HB HIS 63 1HB HIS 63 23.258 -2.703 -32.227 403 2HB HIS 63 2HB HIS 63 24.894 -2.791 -32.849 404 HD1 HIS 63 HD1 HIS 63 26.335 -0.696 -32.697 405 HD2 HIS 63 HD2 HIS 63 22.301 0.015 -31.796 406 HE1 HIS 63 HE1 HIS 63 26.216 1.682 -31.779 407 H HIS 64 H HIS 64 25.367 -3.966 -34.667 408 HA HIS 64 HA HIS 64 26.577 -2.318 -36.750 409 1HB HIS 64 1HB HIS 64 28.619 -3.036 -36.065 410 2HB HIS 64 2HB HIS 64 27.757 -3.182 -34.546 411 HD1 HIS 64 HD1 HIS 64 26.323 -5.876 -34.885 412 HD2 HIS 64 HD2 HIS 64 30.294 -5.198 -36.055 413 HE1 HIS 64 HE1 HIS 64 27.454 -8.162 -34.933 414 H HIS 65 H HIS 65 27.598 -3.535 -38.618 415 HA HIS 65 HA HIS 65 27.254 -6.061 -39.328 416 1HB HIS 65 1HB HIS 65 24.619 -4.758 -39.243 417 2HB HIS 65 2HB HIS 65 24.963 -5.535 -40.775 418 HD1 HIS 65 HD1 HIS 65 23.003 -6.402 -38.210 419 HD2 HIS 65 HD2 HIS 65 26.500 -8.242 -39.619 420 HE1 HIS 65 HE1 HIS 65 22.901 -8.828 -37.424 421 H GLN 66 H GLN 66 29.160 -5.266 -40.392 422 HA GLN 66 HA GLN 66 28.588 -4.404 -43.035 423 1HB GLN 66 1HB GLN 66 28.835 -2.305 -41.357 424 2HB GLN 66 2HB GLN 66 30.539 -2.585 -41.651 425 1HG GLN 66 1HG GLN 66 30.337 -1.473 -43.615 426 2HG GLN 66 2HG GLN 66 29.325 -2.775 -44.207 427 1HE2 GLN 66 1HE2 GLN 66 27.089 -2.622 -44.119 428 2HE2 GLN 66 2HE2 GLN 66 26.253 -1.121 -43.903 429 H THR 67 H THR 67 30.972 -3.912 -44.129 430 HA THR 67 HA THR 67 33.074 -5.461 -42.935 431 HB THR 67 HB THR 67 31.831 -6.480 -45.535 432 HG1 THR 67 HG1 THR 67 30.486 -7.627 -44.182 433 1HG2 THR 67 1HG2 THR 67 33.858 -7.607 -45.455 434 2HG2 THR 67 2HG2 THR 67 34.079 -7.280 -43.720 435 3HG2 THR 67 3HG2 THR 67 33.007 -8.600 -44.248 436 H ARG 68 H ARG 68 35.045 -5.493 -44.363 437 HA ARG 68 HA ARG 68 35.181 -3.985 -46.639 438 1HB ARG 68 1HB ARG 68 34.635 -2.199 -44.708 439 2HB ARG 68 2HB ARG 68 36.354 -2.331 -44.392 440 1HG ARG 68 1HG ARG 68 36.889 -1.694 -46.705 441 2HG ARG 68 2HG ARG 68 35.196 -1.734 -47.153 442 1HD ARG 68 1HD ARG 68 34.684 0.174 -45.724 443 2HD ARG 68 2HD ARG 68 36.268 0.118 -44.977 444 HE ARG 68 HE ARG 68 36.496 0.423 -47.852 445 1HH1 ARG 68 2HH2 ARG 68 35.793 2.232 -44.886 446 2HH1 ARG 68 1HH2 ARG 68 36.299 3.751 -45.545 447 1HH2 ARG 68 1HH ARG 68 37.102 3.843 -47.802 448 H GLY 69 H GLY 69 36.952 -5.005 -47.522 449 1HA GLY 69 1HA GLY 69 38.987 -6.123 -45.789 450 2HA GLY 69 2HA GLY 69 38.827 -6.315 -47.524 451 H ALA 70 H ALA 70 40.426 -5.377 -48.708 452 HA ALA 70 HA ALA 70 41.171 -2.692 -48.343 453 1HB ALA 70 1HB ALA 70 42.338 -4.220 -46.424 454 2HB ALA 70 2HB ALA 70 43.532 -4.404 -47.731 455 3HB ALA 70 3HB ALA 70 43.109 -2.781 -47.135 456 H TYR 71 H TYR 71 42.262 -1.951 -50.184 457 HA TYR 71 HA TYR 71 42.211 -3.712 -52.410 458 1HB TYR 71 1HB TYR 71 41.931 -1.063 -52.054 459 2HB TYR 71 2HB TYR 71 43.681 -1.037 -52.148 460 HD1 TYR 71 HD1 TYR 71 44.371 -0.200 -54.194 461 HD2 TYR 71 HD2 TYR 71 41.035 -2.876 -54.087 462 HE1 TYR 71 HE1 TYR 71 44.228 -0.134 -56.732 463 HE2 TYR 71 HE2 TYR 71 40.903 -2.802 -56.625 464 HH TYR 71 HH TYR 71 43.403 -1.496 -58.522 465 H SER 72 H SER 72 44.125 -3.981 -53.916 466 HA SER 72 HA SER 72 46.526 -4.365 -52.303 467 1HB SER 72 1HB SER 72 45.685 -6.011 -54.727 468 2HB SER 72 2HB SER 72 47.050 -6.325 -53.674 469 HG SER 72 HG SER 72 44.346 -6.234 -52.667 470 H SER 73 H SER 73 48.566 -3.845 -53.308 471 HA SER 73 HA SER 73 49.919 -2.732 -54.588 472 1HB SER 73 1HB SER 73 47.937 -3.112 -56.873 473 2HB SER 73 2HB SER 73 49.652 -2.783 -57.021 474 HG SER 73 HG SER 73 49.814 -4.900 -55.645 475 H HIS 74 H HIS 74 50.090 -0.590 -54.023 476 HA HIS 74 HA HIS 74 47.816 1.131 -54.625 477 1HB HIS 74 1HB HIS 74 49.488 0.854 -52.381 478 2HB HIS 74 2HB HIS 74 49.963 2.372 -53.116 479 HD1 HIS 74 HD1 HIS 74 47.439 3.696 -53.974 480 HD2 HIS 74 HD2 HIS 74 47.644 1.410 -50.462 481 HE1 HIS 74 HE1 HIS 74 45.515 4.484 -52.494 482 H ASP 75 H ASP 75 47.965 2.885 -56.024 483 HA ASP 75 HA ASP 75 49.563 2.777 -58.138 484 1HB ASP 75 1HB ASP 75 48.090 4.964 -56.739 485 2HB ASP 75 2HB ASP 75 49.313 5.515 -57.867 486 HD2 ASP 75 HD2 ASP 75 47.267 6.283 -59.149 Start of MODEL 11 1 H MET 1 H MET 1 -13.829 30.963 -3.646 2 HA MET 1 HA MET 1 -14.905 33.648 -3.760 3 1HB MET 1 1HB MET 1 -14.649 31.562 -5.627 4 2HB MET 1 2HB MET 1 -16.337 31.450 -5.173 5 1HG MET 1 1HG MET 1 -15.531 34.248 -5.601 6 2HG MET 1 2HG MET 1 -15.212 33.269 -7.019 7 1HE MET 1 1HE MET 1 -17.150 35.642 -6.939 8 2HE MET 1 2HE MET 1 -18.883 35.289 -6.736 9 3HE MET 1 3HE MET 1 -17.820 35.376 -5.311 10 H GLU 2 H GLU 2 -16.181 34.151 -2.013 11 HA GLU 2 HA GLU 2 -17.646 32.089 -0.711 12 1HB GLU 2 1HB GLU 2 -16.560 34.469 0.114 13 2HB GLU 2 2HB GLU 2 -18.238 34.943 -0.069 14 1HG GLU 2 1HG GLU 2 -18.606 34.032 1.979 15 2HG GLU 2 2HG GLU 2 -18.426 32.462 1.222 16 HE2 GLU 2 HE2 GLU 2 -16.190 31.767 1.048 17 H VAL 3 H VAL 3 -19.328 31.261 -1.944 18 HA VAL 3 HA VAL 3 -21.048 33.148 -3.337 19 HB VAL 3 HB VAL 3 -21.225 30.138 -3.288 20 1HG1 VAL 3 1HG1 VAL 3 -22.039 32.162 -5.401 21 2HG1 VAL 3 2HG1 VAL 3 -22.325 30.405 -5.435 22 3HG1 VAL 3 3HG1 VAL 3 -23.142 31.417 -4.220 23 1HG2 VAL 3 1HG2 VAL 3 -19.076 31.762 -4.332 24 2HG2 VAL 3 2HG2 VAL 3 -19.254 29.991 -4.323 25 3HG2 VAL 3 3HG2 VAL 3 -19.931 30.947 -5.664 26 H ALA 4 H ALA 4 -23.428 32.996 -3.076 27 HA ALA 4 HA ALA 4 -24.264 33.407 -0.539 28 1HB ALA 4 1HB ALA 4 -25.403 33.162 -3.120 29 2HB ALA 4 2HB ALA 4 -26.355 32.094 -2.060 30 3HB ALA 4 3HB ALA 4 -26.171 33.818 -1.654 31 H MET 5 H MET 5 -25.523 32.128 1.010 32 HA MET 5 HA MET 5 -24.292 29.722 1.575 33 1HB MET 5 1HB MET 5 -26.553 31.374 2.592 34 2HB MET 5 2HB MET 5 -26.762 29.665 2.920 35 1HG MET 5 1HG MET 5 -25.560 30.567 4.807 36 2HG MET 5 2HG MET 5 -24.391 29.643 3.884 37 1HE MET 5 1HE MET 5 -23.621 31.221 5.892 38 2HE MET 5 2HE MET 5 -22.187 32.017 5.199 39 3HE MET 5 3HE MET 5 -23.553 32.996 5.783 40 H VAL 6 H VAL 6 -24.779 27.564 1.160 41 HA VAL 6 HA VAL 6 -26.967 27.148 -0.739 42 HB VAL 6 HB VAL 6 -24.610 25.383 -0.051 43 1HG1 VAL 6 1HG1 VAL 6 -26.860 25.197 -2.037 44 2HG1 VAL 6 2HG1 VAL 6 -25.273 24.492 -2.428 45 3HG1 VAL 6 3HG1 VAL 6 -26.162 23.940 -0.988 46 1HG2 VAL 6 1HG2 VAL 6 -23.335 26.399 -1.625 47 2HG2 VAL 6 2HG2 VAL 6 -24.725 26.750 -2.681 48 3HG2 VAL 6 3HG2 VAL 6 -24.387 27.792 -1.277 49 H SER 7 H SER 7 -28.061 24.904 -0.509 50 HA SER 7 HA SER 7 -29.277 23.516 0.636 51 1HB SER 7 1HB SER 7 -27.480 24.018 3.047 52 2HB SER 7 2HB SER 7 -28.524 22.634 2.795 53 HG SER 7 HG SER 7 -26.241 23.351 1.157 54 H ALA 8 H ALA 8 -31.319 24.328 0.969 55 HA ALA 8 HA ALA 8 -31.905 26.735 2.152 56 1HB ALA 8 1HB ALA 8 -33.931 26.147 1.379 57 2HB ALA 8 2HB ALA 8 -33.274 24.541 0.985 58 3HB ALA 8 3HB ALA 8 -34.040 24.825 2.566 59 H GLU 9 H GLU 9 -31.106 27.292 4.147 60 HA GLU 9 HA GLU 9 -30.444 25.737 6.181 61 1HB GLU 9 1HB GLU 9 -30.494 27.653 7.538 62 2HB GLU 9 2HB GLU 9 -30.423 28.337 5.926 63 1HG GLU 9 1HG GLU 9 -33.152 28.071 6.251 64 2HG GLU 9 2HG GLU 9 -32.655 28.374 7.904 65 HE2 GLU 9 HE2 GLU 9 -32.880 31.711 6.927 66 H SER 10 H SER 10 -31.519 25.268 8.341 67 HA SER 10 HA SER 10 -33.097 24.398 9.551 68 1HB SER 10 1HB SER 10 -34.632 26.293 7.868 69 2HB SER 10 2HB SER 10 -35.603 24.975 8.494 70 HG SER 10 HG SER 10 -34.772 25.511 10.656 71 H SER 11 H SER 11 -35.126 22.792 9.405 72 HA SER 11 HA SER 11 -34.334 20.834 7.504 73 1HB SER 11 1HB SER 11 -35.964 19.392 8.646 74 2HB SER 11 2HB SER 11 -34.974 20.233 9.823 75 HG SER 11 HG SER 11 -37.315 21.614 9.097 76 H GLY 12 H GLY 12 -34.907 21.467 5.395 77 1HA GLY 12 1HA GLY 12 -37.543 22.542 4.863 78 2HA GLY 12 2HA GLY 12 -36.245 22.261 3.720 79 H CYS 13 H CYS 13 -35.810 20.002 2.993 80 HA CYS 13 HA CYS 13 -38.099 18.241 3.429 81 1HB CYS 13 1HB CYS 13 -37.212 19.426 0.860 82 2HB CYS 13 2HB CYS 13 -37.511 17.700 0.821 83 HG CYS 13 HG CYS 13 -39.594 19.342 0.086 84 H ASN 14 H ASN 14 -36.386 17.391 4.993 85 HA ASN 14 HA ASN 14 -34.188 16.102 3.632 86 1HB ASN 14 1HB ASN 14 -34.687 17.148 6.323 87 2HB ASN 14 2HB ASN 14 -34.156 15.481 6.425 88 1HD2 ASN 14 1HD2 ASN 14 -32.185 14.856 5.401 89 2HD2 ASN 14 2HD2 ASN 14 -30.894 15.988 5.177 90 H SER 15 H SER 15 -37.131 15.276 3.458 91 HA SER 15 HA SER 15 -38.234 13.407 3.300 92 1HB SER 15 1HB SER 15 -35.567 12.488 3.327 93 2HB SER 15 2HB SER 15 -36.379 11.480 4.508 94 HG SER 15 HG SER 15 -36.459 11.251 1.837 95 H HIS 16 H HIS 16 -39.860 13.755 4.822 96 HA HIS 16 HA HIS 16 -39.232 12.882 7.548 97 1HB HIS 16 1HB HIS 16 -40.395 15.331 6.548 98 2HB HIS 16 2HB HIS 16 -41.547 14.505 7.578 99 HD1 HIS 16 HD1 HIS 16 -37.808 15.386 7.766 100 HD2 HIS 16 HD2 HIS 16 -41.221 15.173 10.196 101 HE1 HIS 16 HE1 HIS 16 -37.089 16.188 10.080 102 H MET 17 H MET 17 -39.733 10.773 6.099 103 HA MET 17 HA MET 17 -42.200 10.163 5.235 104 1HB MET 17 1HB MET 17 -39.835 8.731 6.277 105 2HB MET 17 2HB MET 17 -41.306 7.839 6.611 106 1HG MET 17 1HG MET 17 -41.804 8.511 4.017 107 2HG MET 17 2HG MET 17 -40.053 8.514 3.966 108 1HE MET 17 1HE MET 17 -42.317 5.009 3.064 109 2HE MET 17 2HE MET 17 -42.999 6.629 3.344 110 3HE MET 17 3HE MET 17 -41.660 6.414 2.192 111 HA PRO 18 HA PRO 18 -44.828 9.662 8.657 112 1HB PRO 18 1HB PRO 18 -46.269 7.399 8.136 113 2HB PRO 18 2HB PRO 18 -46.598 8.941 7.372 114 1HG PRO 18 1HG PRO 18 -45.287 6.550 6.231 115 2HG PRO 18 2HG PRO 18 -45.999 7.916 5.395 116 1HD PRO 18 1HD PRO 18 -43.203 7.421 5.802 117 2HD PRO 18 2HD PRO 18 -43.920 8.842 5.069 118 H TYR 19 H TYR 19 -45.780 8.088 10.424 119 HA TYR 19 HA TYR 19 -43.643 7.372 11.990 120 1HB TYR 19 1HB TYR 19 -46.410 6.032 11.816 121 2HB TYR 19 2HB TYR 19 -45.435 6.186 13.265 122 HD1 TYR 19 HD1 TYR 19 -45.103 8.468 14.298 123 HD2 TYR 19 HD2 TYR 19 -47.886 7.776 11.123 124 HE1 TYR 19 HE1 TYR 19 -46.294 10.644 14.858 125 HE2 TYR 19 HE2 TYR 19 -49.068 9.954 11.693 126 HH TYR 19 HH TYR 19 -49.212 11.350 14.082 127 H GLY 20 H GLY 20 -43.499 4.947 12.927 128 1HA GLY 20 1HA GLY 20 -43.127 2.730 12.539 129 2HA GLY 20 2HA GLY 20 -43.671 2.910 10.883 130 H TYR 21 H TYR 21 -41.575 5.459 11.271 131 HA TYR 21 HA TYR 21 -39.508 4.106 9.818 132 1HB TYR 21 1HB TYR 21 -38.662 6.421 9.666 133 2HB TYR 21 2HB TYR 21 -40.406 6.508 9.521 134 HD1 TYR 21 HD1 TYR 21 -37.645 6.820 12.024 135 HD2 TYR 21 HD2 TYR 21 -41.649 7.889 10.960 136 HE1 TYR 21 HE1 TYR 21 -37.732 8.458 13.966 137 HE2 TYR 21 HE2 TYR 21 -41.722 9.523 12.906 138 HH TYR 21 HH TYR 21 -39.890 10.857 14.204 139 H ALA 22 H ALA 22 -40.262 4.075 13.050 140 HA ALA 22 HA ALA 22 -37.560 4.496 14.018 141 1HB ALA 22 1HB ALA 22 -39.960 3.511 15.587 142 2HB ALA 22 2HB ALA 22 -38.531 4.393 16.178 143 3HB ALA 22 3HB ALA 22 -39.744 5.231 15.181 144 H ALA 23 H ALA 23 -38.616 2.228 12.101 145 HA ALA 23 HA ALA 23 -38.284 -0.141 13.657 146 1HB ALA 23 1HB ALA 23 -38.300 -1.200 11.357 147 2HB ALA 23 2HB ALA 23 -39.716 -0.183 11.718 148 3HB ALA 23 3HB ALA 23 -38.416 0.439 10.674 149 H GLN 24 H GLN 24 -36.489 0.120 10.629 150 HA GLN 24 HA GLN 24 -34.181 -0.848 11.888 151 1HB GLN 24 1HB GLN 24 -35.166 -0.578 9.238 152 2HB GLN 24 2HB GLN 24 -33.660 0.319 9.266 153 1HG GLN 24 1HG GLN 24 -33.030 -1.922 8.721 154 2HG GLN 24 2HG GLN 24 -32.595 -1.730 10.408 155 1HE2 GLN 24 1HE2 GLN 24 -33.267 -4.105 8.798 156 2HE2 GLN 24 2HE2 GLN 24 -34.554 -4.923 9.620 157 H ALA 25 H ALA 25 -35.538 2.232 11.881 158 HA ALA 25 HA ALA 25 -33.482 3.963 11.335 159 1HB ALA 25 1HB ALA 25 -35.373 5.141 11.790 160 2HB ALA 25 2HB ALA 25 -35.960 3.939 12.964 161 3HB ALA 25 3HB ALA 25 -34.750 5.149 13.457 162 H ARG 26 H ARG 26 -33.782 1.588 13.890 163 HA ARG 26 HA ARG 26 -32.093 2.870 15.714 164 1HB ARG 26 1HB ARG 26 -33.755 0.792 15.956 165 2HB ARG 26 2HB ARG 26 -32.333 -0.148 15.549 166 1HG ARG 26 1HG ARG 26 -31.568 0.047 17.672 167 2HG ARG 26 2HG ARG 26 -31.532 1.792 17.518 168 1HD ARG 26 1HD ARG 26 -34.200 1.496 17.894 169 2HD ARG 26 2HD ARG 26 -33.671 0.032 18.700 170 HE ARG 26 HE ARG 26 -32.017 2.165 19.618 171 1HH1 ARG 26 2HH2 ARG 26 -35.400 1.131 19.829 172 2HH1 ARG 26 1HH2 ARG 26 -35.666 1.894 21.361 173 1HH2 ARG 26 1HH ARG 26 -33.870 3.088 22.406 174 H ALA 27 H ALA 27 -31.624 0.794 12.864 175 HA ALA 27 HA ALA 27 -28.957 0.045 13.449 176 1HB ALA 27 1HB ALA 27 -30.742 0.045 11.006 177 2HB ALA 27 2HB ALA 27 -29.023 -0.400 10.883 178 3HB ALA 27 3HB ALA 27 -30.111 -1.337 11.934 179 H ARG 28 H ARG 28 -30.541 2.873 11.986 180 HA ARG 28 HA ARG 28 -28.351 3.858 10.637 181 1HB ARG 28 1HB ARG 28 -30.999 4.661 11.124 182 2HB ARG 28 2HB ARG 28 -30.060 5.936 11.875 183 1HG ARG 28 1HG ARG 28 -29.406 4.966 9.068 184 2HG ARG 28 2HG ARG 28 -30.659 6.161 9.335 185 1HD ARG 28 1HD ARG 28 -28.892 7.631 9.117 186 2HD ARG 28 2HD ARG 28 -28.698 7.303 10.828 187 HE ARG 28 HE ARG 28 -27.200 5.297 9.758 188 1HH1 ARG 28 2HH2 ARG 28 -27.292 8.758 9.003 189 2HH1 ARG 28 1HH2 ARG 28 -25.634 8.820 8.505 190 1HH2 ARG 28 1HH ARG 28 -24.313 6.821 8.572 191 H GLU 29 H GLU 29 -29.272 3.896 14.071 192 HA GLU 29 HA GLU 29 -27.390 5.935 14.722 193 1HB GLU 29 1HB GLU 29 -29.407 4.274 16.176 194 2HB GLU 29 2HB GLU 29 -28.045 4.827 17.130 195 1HG GLU 29 1HG GLU 29 -29.299 6.883 15.350 196 2HG GLU 29 2HG GLU 29 -30.293 6.327 16.682 197 HE2 GLU 29 HE2 GLU 29 -27.151 8.645 17.428 198 H ARG 30 H ARG 30 -27.432 2.440 14.366 199 HA ARG 30 HA ARG 30 -25.057 2.153 15.951 200 1HB ARG 30 1HB ARG 30 -27.072 0.340 14.697 201 2HB ARG 30 2HB ARG 30 -25.439 -0.295 14.710 202 1HG ARG 30 1HG ARG 30 -25.697 0.758 17.286 203 2HG ARG 30 2HG ARG 30 -27.306 0.140 16.968 204 1HD ARG 30 1HD ARG 30 -26.610 -2.017 17.184 205 2HD ARG 30 2HD ARG 30 -25.299 -1.777 16.046 206 HE ARG 30 HE ARG 30 -24.695 -0.526 18.591 207 1HH1 ARG 30 2HH2 ARG 30 -24.768 -3.670 16.958 208 2HH1 ARG 30 1HH2 ARG 30 -23.570 -4.373 17.991 209 1HH2 ARG 30 1HH ARG 30 -22.610 -3.053 19.746 210 H GLU 31 H GLU 31 -26.104 2.456 12.580 211 HA GLU 31 HA GLU 31 -23.910 1.304 11.355 212 1HB GLU 31 1HB GLU 31 -26.262 2.394 10.499 213 2HB GLU 31 2HB GLU 31 -25.163 3.680 10.042 214 1HG GLU 31 1HG GLU 31 -24.186 2.434 8.383 215 2HG GLU 31 2HG GLU 31 -24.145 0.980 9.360 216 HE2 GLU 31 HE2 GLU 31 -26.528 0.129 6.878 217 H ARG 32 H ARG 32 -24.241 4.253 13.176 218 HA ARG 32 HA ARG 32 -22.379 5.827 11.915 219 1HB ARG 32 1HB ARG 32 -23.976 6.464 13.818 220 2HB ARG 32 2HB ARG 32 -22.872 5.681 14.930 221 1HG ARG 32 1HG ARG 32 -21.458 7.539 13.139 222 2HG ARG 32 2HG ARG 32 -22.733 8.350 14.026 223 1HD ARG 32 1HD ARG 32 -21.536 8.278 15.959 224 2HD ARG 32 2HD ARG 32 -21.294 6.548 15.814 225 HE ARG 32 HE ARG 32 -19.159 6.948 14.948 226 1HH1 ARG 32 2HH2 ARG 32 -21.071 9.916 14.649 227 2HH1 ARG 32 1HH2 ARG 32 -19.732 10.871 14.106 228 1HH2 ARG 32 1HH ARG 32 -17.579 9.846 13.868 229 H LEU 33 H LEU 33 -22.047 3.018 14.056 230 HA LEU 33 HA LEU 33 -19.223 3.537 14.474 231 1HB LEU 33 1HB LEU 33 -21.248 2.286 15.937 232 2HB LEU 33 2HB LEU 33 -20.217 0.976 15.399 233 HG LEU 33 HG LEU 33 -18.365 2.792 16.303 234 1HD1 LEU 33 1HD1 LEU 33 -20.428 4.114 17.147 235 2HD1 LEU 33 2HD1 LEU 33 -20.501 2.869 18.418 236 3HD1 LEU 33 3HD1 LEU 33 -19.043 3.875 18.239 237 1HD2 LEU 33 1HD2 LEU 33 -19.614 0.310 17.331 238 2HD2 LEU 33 2HD2 LEU 33 -17.907 0.699 17.010 239 3HD2 LEU 33 3HD2 LEU 33 -18.684 1.271 18.506 240 H ALA 34 H ALA 34 -21.290 2.092 12.150 241 HA ALA 34 HA ALA 34 -19.441 0.019 11.392 242 1HB ALA 34 1HB ALA 34 -21.671 0.929 9.613 243 2HB ALA 34 2HB ALA 34 -21.152 -0.719 10.042 244 3HB ALA 34 3HB ALA 34 -22.111 0.241 11.194 245 H HIS 35 H HIS 35 -19.177 3.272 11.298 246 HA HIS 35 HA HIS 35 -18.357 3.466 8.528 247 1HB HIS 35 1HB HIS 35 -19.619 5.224 10.136 248 2HB HIS 35 2HB HIS 35 -17.964 5.719 10.434 249 HD1 HIS 35 HD1 HIS 35 -20.653 5.784 7.845 250 HD2 HIS 35 HD2 HIS 35 -16.586 6.769 8.139 251 HE1 HIS 35 HE1 HIS 35 -20.110 7.199 5.793 252 H SER 36 H SER 36 -17.066 2.508 11.541 253 HA SER 36 HA SER 36 -14.431 3.493 10.940 254 1HB SER 36 1HB SER 36 -15.821 2.824 13.305 255 2HB SER 36 2HB SER 36 -14.608 1.569 13.147 256 HG SER 36 HG SER 36 -14.302 4.251 13.803 257 H ARG 37 H ARG 37 -16.438 0.700 10.393 258 HA ARG 37 HA ARG 37 -14.183 -1.053 10.126 259 1HB ARG 37 1HB ARG 37 -16.811 -1.480 10.843 260 2HB ARG 37 2HB ARG 37 -16.876 -1.923 9.149 261 1HG ARG 37 1HG ARG 37 -15.123 -3.591 9.430 262 2HG ARG 37 2HG ARG 37 -14.758 -3.024 11.047 263 1HD ARG 37 1HD ARG 37 -16.184 -4.656 11.766 264 2HD ARG 37 2HD ARG 37 -17.473 -3.584 11.255 265 HE ARG 37 HE ARG 37 -16.801 -4.898 8.915 266 1HH1 ARG 37 2HH2 ARG 37 -17.690 -6.011 12.159 267 2HH1 ARG 37 1HH2 ARG 37 -18.397 -7.488 11.594 268 1HH2 ARG 37 1HH ARG 37 -18.411 -7.958 9.244 269 H ALA 38 H ALA 38 -15.020 1.443 8.333 270 HA ALA 38 HA ALA 38 -15.398 0.162 5.771 271 1HB ALA 38 1HB ALA 38 -16.394 2.135 5.379 272 2HB ALA 38 2HB ALA 38 -15.852 2.745 6.961 273 3HB ALA 38 3HB ALA 38 -14.816 2.945 5.528 274 H ALA 39 H ALA 39 -12.941 2.380 7.287 275 HA ALA 39 HA ALA 39 -11.075 2.317 5.312 276 1HB ALA 39 1HB ALA 39 -9.438 2.736 7.170 277 2HB ALA 39 2HB ALA 39 -10.902 3.744 7.271 278 3HB ALA 39 3HB ALA 39 -10.720 2.329 8.336 279 H ALA 40 H ALA 40 -8.796 1.169 5.571 280 HA ALA 40 HA ALA 40 -9.390 -1.661 5.478 281 1HB ALA 40 1HB ALA 40 -7.457 -1.829 4.201 282 2HB ALA 40 2HB ALA 40 -7.950 -0.157 3.840 283 3HB ALA 40 3HB ALA 40 -6.663 -0.468 5.030 284 H ALA 41 H ALA 41 -9.883 -1.185 7.998 285 HA ALA 41 HA ALA 41 -9.342 -1.805 10.055 286 1HB ALA 41 1HB ALA 41 -7.506 -3.311 10.434 287 2HB ALA 41 2HB ALA 41 -8.176 -3.700 8.832 288 3HB ALA 41 3HB ALA 41 -6.670 -2.760 8.963 289 H ALA 42 H ALA 42 -9.214 0.818 9.634 290 HA ALA 42 HA ALA 42 -6.571 1.734 10.464 291 1HB ALA 42 1HB ALA 42 -9.007 2.958 9.197 292 2HB ALA 42 2HB ALA 42 -7.914 4.003 10.137 293 3HB ALA 42 3HB ALA 42 -7.294 3.098 8.736 294 H ALA 43 H ALA 43 -10.065 2.210 11.370 295 HA ALA 43 HA ALA 43 -9.679 3.501 13.736 296 1HB ALA 43 1HB ALA 43 -11.776 1.344 13.428 297 2HB ALA 43 2HB ALA 43 -11.914 2.944 14.197 298 3HB ALA 43 3HB ALA 43 -11.829 2.812 12.424 299 H VAL 44 H VAL 44 -8.914 0.178 12.892 300 HA VAL 44 HA VAL 44 -8.640 -0.532 15.707 301 HB VAL 44 HB VAL 44 -9.108 -1.927 13.184 302 1HG1 VAL 44 1HG1 VAL 44 -7.065 -3.053 15.127 303 2HG1 VAL 44 2HG1 VAL 44 -7.906 -4.009 13.883 304 3HG1 VAL 44 3HG1 VAL 44 -6.826 -2.678 13.403 305 1HG2 VAL 44 1HG2 VAL 44 -10.369 -1.766 15.562 306 2HG2 VAL 44 2HG2 VAL 44 -10.563 -3.138 14.443 307 3HG2 VAL 44 3HG2 VAL 44 -9.442 -3.264 15.820 308 H ALA 45 H ALA 45 -6.808 0.287 12.777 309 HA ALA 45 HA ALA 45 -4.361 -0.723 13.227 310 1HB ALA 45 1HB ALA 45 -4.973 0.702 11.321 311 2HB ALA 45 2HB ALA 45 -5.062 2.121 12.392 312 3HB ALA 45 3HB ALA 45 -3.500 1.317 12.108 313 H ALA 46 H ALA 46 -5.878 2.083 14.914 314 HA ALA 46 HA ALA 46 -3.544 2.633 16.447 315 1HB ALA 46 1HB ALA 46 -6.423 3.437 17.004 316 2HB ALA 46 2HB ALA 46 -4.938 4.266 17.530 317 3HB ALA 46 3HB ALA 46 -5.390 4.256 15.808 318 H ALA 47 H ALA 47 -6.641 0.849 16.973 319 HA ALA 47 HA ALA 47 -6.102 0.250 19.674 320 1HB ALA 47 1HB ALA 47 -8.201 -0.064 17.806 321 2HB ALA 47 2HB ALA 47 -7.779 -1.709 18.339 322 3HB ALA 47 3HB ALA 47 -8.226 -0.472 19.538 323 H THR 48 H THR 48 -6.609 -2.632 19.625 324 HA THR 48 HA THR 48 -4.174 -3.688 19.909 325 HB THR 48 HB THR 48 -5.290 -5.876 19.429 326 HG1 THR 48 HG1 THR 48 -7.387 -4.059 18.472 327 1HG2 THR 48 1HG2 THR 48 -6.091 -4.173 21.403 328 2HG2 THR 48 2HG2 THR 48 -7.597 -4.243 20.457 329 3HG2 THR 48 3HG2 THR 48 -6.890 -5.737 21.117 330 H ALA 49 H ALA 49 -2.399 -4.190 18.768 331 HA ALA 49 HA ALA 49 -1.862 -3.221 16.328 332 1HB ALA 49 1HB ALA 49 -0.610 -5.823 16.605 333 2HB ALA 49 2HB ALA 49 0.105 -4.204 16.789 334 3HB ALA 49 3HB ALA 49 -0.672 -4.998 18.180 335 H ALA 50 H ALA 50 -1.893 -3.972 14.140 336 HA ALA 50 HA ALA 50 -4.171 -5.666 13.607 337 1HB ALA 50 1HB ALA 50 -4.283 -4.476 11.689 338 2HB ALA 50 2HB ALA 50 -3.052 -3.419 12.419 339 3HB ALA 50 3HB ALA 50 -2.560 -4.736 11.329 340 H VAL 51 H VAL 51 -2.386 -7.230 14.936 341 HA VAL 51 HA VAL 51 -1.271 -8.857 12.761 342 HB VAL 51 HB VAL 51 0.398 -7.509 14.165 343 1HG1 VAL 51 1HG1 VAL 51 0.740 -7.945 16.365 344 2HG1 VAL 51 2HG1 VAL 51 -0.965 -8.451 16.306 345 3HG1 VAL 51 3HG1 VAL 51 0.329 -9.669 16.201 346 1HG2 VAL 51 1HG2 VAL 51 0.915 -9.472 12.683 347 2HG2 VAL 51 2HG2 VAL 51 2.036 -9.262 14.050 348 3HG2 VAL 51 3HG2 VAL 51 0.777 -10.519 14.116 349 H GLU 52 H GLU 52 -3.836 -9.315 13.410 350 HA GLU 52 HA GLU 52 -3.905 -11.167 15.606 351 1HB GLU 52 1HB GLU 52 -5.759 -9.416 14.581 352 2HB GLU 52 2HB GLU 52 -6.278 -10.907 13.821 353 1HG GLU 52 1HG GLU 52 -5.660 -11.501 16.576 354 2HG GLU 52 2HG GLU 52 -6.662 -10.064 16.555 355 HE2 GLU 52 HE2 GLU 52 -6.739 -13.241 16.559 356 H GLY 53 H GLY 53 -5.204 -13.328 15.130 357 1HA GLY 53 1HA GLY 53 -5.673 -14.843 13.199 358 2HA GLY 53 2HA GLY 53 -4.032 -14.507 12.682 359 H THR 54 H THR 54 -6.065 -16.098 15.142 360 HA THR 54 HA THR 54 -3.924 -17.061 16.728 361 HB THR 54 HB THR 54 -6.867 -17.790 16.351 362 HG1 THR 54 HG1 THR 54 -5.185 -16.602 18.445 363 1HG2 THR 54 1HG2 THR 54 -6.748 -19.290 18.183 364 2HG2 THR 54 2HG2 THR 54 -5.274 -19.708 17.277 365 3HG2 THR 54 3HG2 THR 54 -5.170 -18.661 18.713 366 H GLY 55 H GLY 55 -2.410 -18.510 16.249 367 1HA GLY 55 1HA GLY 55 -3.100 -20.943 14.886 368 2HA GLY 55 2HA GLY 55 -2.148 -19.856 13.894 369 H GLY 56 H GLY 56 -1.073 -22.325 14.588 370 1HA GLY 56 1HA GLY 56 1.020 -21.544 16.525 371 2HA GLY 56 2HA GLY 56 0.282 -23.133 16.543 372 H SER 57 H SER 57 3.064 -22.839 16.208 373 HA SER 57 HA SER 57 3.300 -23.941 13.550 374 1HB SER 57 1HB SER 57 4.415 -21.354 14.394 375 2HB SER 57 2HB SER 57 5.666 -22.447 13.835 376 HG SER 57 HG SER 57 4.920 -21.375 12.006 377 H GLY 58 H GLY 58 5.462 -25.125 13.298 378 1HA GLY 58 1HA GLY 58 7.408 -25.614 15.017 379 2HA GLY 58 2HA GLY 58 6.093 -26.445 15.824 380 H GLY 59 H GLY 59 8.019 -28.135 15.186 381 1HA GLY 59 1HA GLY 59 7.019 -30.149 13.742 382 2HA GLY 59 2HA GLY 59 7.720 -29.154 12.482 383 H GLY 60 H GLY 60 8.627 -31.811 13.149 384 1HA GLY 60 1HA GLY 60 11.416 -31.187 13.733 385 2HA GLY 60 2HA GLY 60 10.614 -32.290 14.833 386 HA PRO 61 HA PRO 61 11.020 -34.276 10.517 387 1HB PRO 61 1HB PRO 61 13.076 -33.376 8.959 388 2HB PRO 61 2HB PRO 61 11.417 -32.850 8.754 389 1HG PRO 61 1HG PRO 61 13.689 -31.389 9.955 390 2HG PRO 61 2HG PRO 61 12.168 -30.755 9.360 391 1HD PRO 61 1HD PRO 61 12.905 -31.154 12.103 392 2HD PRO 61 2HD PRO 61 11.344 -30.630 11.502 393 H HIS 62 H HIS 62 12.702 -35.815 9.452 394 HA HIS 62 HA HIS 62 15.101 -36.138 10.850 395 1HB HIS 62 1HB HIS 62 12.880 -37.044 12.309 396 2HB HIS 62 2HB HIS 62 13.583 -38.495 11.620 397 HD1 HIS 62 HD1 HIS 62 14.324 -35.693 14.035 398 HD2 HIS 62 HD2 HIS 62 16.119 -39.215 12.631 399 HE1 HIS 62 HE1 HIS 62 16.295 -36.158 15.587 400 H HIS 63 H HIS 63 12.397 -38.044 9.344 401 HA HIS 63 HA HIS 63 13.755 -40.008 8.162 402 1HB HIS 63 1HB HIS 63 11.233 -39.100 8.008 403 2HB HIS 63 2HB HIS 63 11.789 -38.587 6.427 404 HD1 HIS 63 HD1 HIS 63 12.635 -41.838 8.276 405 HD2 HIS 63 HD2 HIS 63 10.744 -40.507 4.777 406 HE1 HIS 63 HE1 HIS 63 12.038 -43.932 6.945 407 H HIS 64 H HIS 64 15.526 -40.162 6.887 408 HA HIS 64 HA HIS 64 15.848 -38.668 4.572 409 1HB HIS 64 1HB HIS 64 16.765 -37.330 6.973 410 2HB HIS 64 2HB HIS 64 18.115 -37.659 5.906 411 HD1 HIS 64 HD1 HIS 64 15.391 -35.295 6.440 412 HD2 HIS 64 HD2 HIS 64 17.647 -36.603 3.155 413 HE1 HIS 64 HE1 HIS 64 15.072 -33.544 4.612 414 H HIS 65 H HIS 65 16.400 -40.610 3.607 415 HA HIS 65 HA HIS 65 18.909 -41.431 3.414 416 1HB HIS 65 1HB HIS 65 19.399 -41.997 5.577 417 2HB HIS 65 2HB HIS 65 17.756 -42.477 5.955 418 HD1 HIS 65 HD1 HIS 65 17.180 -44.947 5.786 419 HD2 HIS 65 HD2 HIS 65 20.902 -44.015 4.092 420 HE1 HIS 65 HE1 HIS 65 18.299 -47.176 5.248 421 H GLN 66 H GLN 66 18.633 -42.347 1.446 422 HA GLN 66 HA GLN 66 16.538 -44.364 1.266 423 1HB GLN 66 1HB GLN 66 16.061 -42.069 0.115 424 2HB GLN 66 2HB GLN 66 17.266 -42.556 -1.061 425 1HG GLN 66 1HG GLN 66 15.907 -44.158 -1.999 426 2HG GLN 66 2HG GLN 66 15.251 -44.660 -0.453 427 1HE2 GLN 66 1HE2 GLN 66 13.784 -44.274 -2.829 428 2HE2 GLN 66 2HE2 GLN 66 12.638 -42.996 -2.592 429 H THR 67 H THR 67 16.946 -45.652 -0.992 430 HA THR 67 HA THR 67 19.280 -47.088 -0.651 431 HB THR 67 HB THR 67 17.750 -46.735 -3.273 432 HG1 THR 67 HG1 THR 67 16.329 -48.358 -2.163 433 1HG2 THR 67 1HG2 THR 67 19.688 -48.362 -3.240 434 2HG2 THR 67 2HG2 THR 67 18.923 -49.189 -1.862 435 3HG2 THR 67 3HG2 THR 67 18.119 -49.175 -3.450 436 H ARG 68 H ARG 68 21.131 -47.359 -2.162 437 HA ARG 68 HA ARG 68 21.813 -45.372 -3.937 438 1HB ARG 68 1HB ARG 68 21.988 -43.927 -1.903 439 2HB ARG 68 2HB ARG 68 23.118 -45.058 -1.185 440 1HG ARG 68 1HG ARG 68 24.083 -44.402 -3.828 441 2HG ARG 68 2HG ARG 68 23.673 -42.903 -3.019 442 1HD ARG 68 1HD ARG 68 25.099 -43.492 -1.093 443 2HD ARG 68 2HD ARG 68 25.415 -45.079 -1.765 444 HE ARG 68 HE ARG 68 26.212 -43.318 -3.777 445 1HH1 ARG 68 2HH2 ARG 68 27.076 -43.772 -0.371 446 2HH1 ARG 68 1HH2 ARG 68 28.691 -43.180 -0.573 447 1HH2 ARG 68 1HH ARG 68 29.414 -42.460 -2.741 448 H GLY 69 H GLY 69 23.388 -46.303 -5.236 449 1HA GLY 69 1HA GLY 69 25.647 -47.302 -5.186 450 2HA GLY 69 2HA GLY 69 25.023 -48.448 -4.016 451 H ALA 70 H ALA 70 25.810 -48.109 -7.225 452 HA ALA 70 HA ALA 70 24.421 -50.493 -7.932 453 1HB ALA 70 1HB ALA 70 23.002 -49.635 -9.648 454 2HB ALA 70 2HB ALA 70 22.687 -48.628 -8.215 455 3HB ALA 70 3HB ALA 70 23.716 -48.009 -9.529 456 H TYR 71 H TYR 71 25.451 -51.523 -9.678 457 HA TYR 71 HA TYR 71 27.469 -49.973 -11.108 458 1HB TYR 71 1HB TYR 71 28.596 -51.004 -9.135 459 2HB TYR 71 2HB TYR 71 27.788 -52.532 -9.426 460 HD1 TYR 71 HD1 TYR 71 29.801 -50.198 -11.582 461 HD2 TYR 71 HD2 TYR 71 29.278 -54.173 -10.089 462 HE1 TYR 71 HE1 TYR 71 31.779 -50.987 -12.970 463 HE2 TYR 71 HE2 TYR 71 31.258 -54.949 -11.482 464 HH TYR 71 HH TYR 71 33.204 -54.058 -12.492 465 H SER 72 H SER 72 27.040 -50.288 -13.231 466 HA SER 72 HA SER 72 26.595 -53.008 -14.077 467 1HB SER 72 1HB SER 72 24.312 -52.269 -13.823 468 2HB SER 72 2HB SER 72 24.651 -50.722 -14.574 469 HG SER 72 HG SER 72 23.802 -51.797 -16.270 470 H SER 73 H SER 73 28.010 -53.367 -15.745 471 HA SER 73 HA SER 73 28.241 -51.451 -17.817 472 1HB SER 73 1HB SER 73 30.711 -51.125 -17.598 473 2HB SER 73 2HB SER 73 29.814 -50.405 -16.275 474 HG SER 73 HG SER 73 31.797 -51.763 -15.754 475 H HIS 74 H HIS 74 28.648 -52.566 -19.719 476 HA HIS 74 HA HIS 74 30.299 -54.877 -19.723 477 1HB HIS 74 1HB HIS 74 27.392 -55.190 -19.439 478 2HB HIS 74 2HB HIS 74 28.045 -56.044 -20.823 479 HD1 HIS 74 HD1 HIS 74 28.002 -56.056 -17.079 480 HD2 HIS 74 HD2 HIS 74 29.869 -58.156 -20.193 481 HE1 HIS 74 HE1 HIS 74 29.022 -58.142 -16.023 482 H ASP 75 H ASP 75 31.405 -54.692 -21.600 483 HA ASP 75 HA ASP 75 30.561 -52.872 -23.543 484 1HB ASP 75 1HB ASP 75 32.583 -53.419 -24.666 485 2HB ASP 75 2HB ASP 75 32.954 -53.663 -22.971 486 HD2 ASP 75 HD2 ASP 75 32.831 -56.852 -25.394 Start of MODEL 12 1 H MET 1 H MET 1 -48.905 33.178 28.861 2 HA MET 1 HA MET 1 -47.797 32.774 26.409 3 1HB MET 1 1HB MET 1 -47.760 35.050 28.426 4 2HB MET 1 2HB MET 1 -46.835 35.224 26.948 5 1HG MET 1 1HG MET 1 -48.846 36.079 26.179 6 2HG MET 1 2HG MET 1 -49.149 34.389 25.831 7 1HE MET 1 1HE MET 1 -51.801 37.001 27.916 8 2HE MET 1 2HE MET 1 -50.179 37.351 28.561 9 3HE MET 1 3HE MET 1 -50.445 37.294 26.802 10 H GLU 2 H GLU 2 -46.011 31.469 26.092 11 HA GLU 2 HA GLU 2 -43.784 31.815 27.897 12 1HB GLU 2 1HB GLU 2 -44.863 29.559 26.852 13 2HB GLU 2 2HB GLU 2 -43.667 29.875 25.611 14 1HG GLU 2 1HG GLU 2 -42.248 28.750 27.014 15 2HG GLU 2 2HG GLU 2 -42.136 30.287 27.849 16 HE2 GLU 2 HE2 GLU 2 -42.592 28.613 30.480 17 H VAL 3 H VAL 3 -41.518 31.926 26.915 18 HA VAL 3 HA VAL 3 -41.341 34.151 25.247 19 HB VAL 3 HB VAL 3 -39.287 32.022 25.880 20 1HG1 VAL 3 1HG1 VAL 3 -38.466 33.307 24.052 21 2HG1 VAL 3 2HG1 VAL 3 -39.033 34.832 24.775 22 3HG1 VAL 3 3HG1 VAL 3 -37.676 33.947 25.513 23 1HG2 VAL 3 1HG2 VAL 3 -40.129 34.533 27.348 24 2HG2 VAL 3 2HG2 VAL 3 -40.086 32.860 27.953 25 3HG2 VAL 3 3HG2 VAL 3 -38.566 33.728 27.626 26 H ALA 4 H ALA 4 -40.235 34.228 23.073 27 HA ALA 4 HA ALA 4 -41.646 33.029 21.137 28 1HB ALA 4 1HB ALA 4 -39.374 33.274 19.805 29 2HB ALA 4 2HB ALA 4 -40.210 34.716 20.430 30 3HB ALA 4 3HB ALA 4 -38.816 34.045 21.309 31 H MET 5 H MET 5 -41.413 31.174 19.751 32 HA MET 5 HA MET 5 -40.427 28.922 21.212 33 1HB MET 5 1HB MET 5 -42.554 29.345 19.506 34 2HB MET 5 2HB MET 5 -41.407 28.649 18.379 35 1HG MET 5 1HG MET 5 -41.315 26.584 19.528 36 2HG MET 5 2HG MET 5 -41.825 27.287 21.050 37 1HE MET 5 1HE MET 5 -44.723 26.844 21.743 38 2HE MET 5 2HE MET 5 -44.772 25.254 20.943 39 3HE MET 5 3HE MET 5 -43.262 25.828 21.690 40 H VAL 6 H VAL 6 -38.348 28.211 21.058 41 HA VAL 6 HA VAL 6 -36.631 29.203 19.029 42 HB VAL 6 HB VAL 6 -36.042 26.866 20.822 43 1HG1 VAL 6 1HG1 VAL 6 -33.969 28.789 20.796 44 2HG1 VAL 6 2HG1 VAL 6 -33.992 27.194 20.006 45 3HG1 VAL 6 3HG1 VAL 6 -34.534 28.637 19.115 46 1HG2 VAL 6 1HG2 VAL 6 -36.716 29.642 21.633 47 2HG2 VAL 6 2HG2 VAL 6 -36.810 28.119 22.550 48 3HG2 VAL 6 3HG2 VAL 6 -35.247 28.948 22.360 49 H SER 7 H SER 7 -35.348 27.782 17.540 50 HA SER 7 HA SER 7 -35.231 26.367 15.900 51 1HB SER 7 1HB SER 7 -36.356 24.768 18.090 52 2HB SER 7 2HB SER 7 -36.843 24.141 16.528 53 HG SER 7 HG SER 7 -34.494 24.270 15.930 54 H ALA 8 H ALA 8 -36.213 26.567 13.914 55 HA ALA 8 HA ALA 8 -39.040 27.216 13.893 56 1HB ALA 8 1HB ALA 8 -38.604 27.952 11.622 57 2HB ALA 8 2HB ALA 8 -37.311 28.574 12.675 58 3HB ALA 8 3HB ALA 8 -37.007 27.166 11.629 59 H GLU 9 H GLU 9 -40.337 25.424 14.048 60 HA GLU 9 HA GLU 9 -40.254 23.622 11.868 61 1HB GLU 9 1HB GLU 9 -38.551 22.806 13.762 62 2HB GLU 9 2HB GLU 9 -40.014 22.221 14.527 63 1HG GLU 9 1HG GLU 9 -38.983 20.477 13.080 64 2HG GLU 9 2HG GLU 9 -40.592 20.898 12.528 65 HE2 GLU 9 HE2 GLU 9 -39.205 21.386 9.407 66 H SER 10 H SER 10 -42.134 21.999 12.036 67 HA SER 10 HA SER 10 -44.070 22.616 14.035 68 1HB SER 10 1HB SER 10 -44.673 23.256 11.113 69 2HB SER 10 2HB SER 10 -45.844 23.292 12.416 70 HG SER 10 HG SER 10 -44.716 25.389 11.727 71 H SER 11 H SER 11 -45.871 21.046 14.004 72 HA SER 11 HA SER 11 -46.683 19.045 13.791 73 1HB SER 11 1HB SER 11 -46.760 20.018 11.287 74 2HB SER 11 2HB SER 11 -45.651 18.695 10.983 75 HG SER 11 HG SER 11 -48.352 18.559 11.993 76 H GLY 12 H GLY 12 -46.105 16.607 13.214 77 1HA GLY 12 1HA GLY 12 -43.198 16.239 13.639 78 2HA GLY 12 2HA GLY 12 -44.425 15.320 14.487 79 H CYS 13 H CYS 13 -43.531 13.324 13.620 80 HA CYS 13 HA CYS 13 -43.216 11.731 12.123 81 1HB CYS 13 1HB CYS 13 -45.981 12.706 11.746 82 2HB CYS 13 2HB CYS 13 -45.363 11.747 10.416 83 HG CYS 13 HG CYS 13 -46.650 10.781 12.957 84 H ASN 14 H ASN 14 -41.434 13.476 11.398 85 HA ASN 14 HA ASN 14 -42.012 14.270 8.662 86 1HB ASN 14 1HB ASN 14 -40.522 15.468 10.874 87 2HB ASN 14 2HB ASN 14 -39.452 15.257 9.502 88 1HD2 ASN 14 1HD2 ASN 14 -39.459 16.728 7.977 89 2HD2 ASN 14 2HD2 ASN 14 -40.679 17.921 7.682 90 H SER 15 H SER 15 -41.294 11.489 9.725 91 HA SER 15 HA SER 15 -39.014 11.110 7.981 92 1HB SER 15 1HB SER 15 -39.224 9.941 10.792 93 2HB SER 15 2HB SER 15 -37.992 9.514 9.621 94 HG SER 15 HG SER 15 -38.390 12.022 10.977 95 H HIS 16 H HIS 16 -40.642 10.289 6.482 96 HA HIS 16 HA HIS 16 -41.833 8.721 5.517 97 1HB HIS 16 1HB HIS 16 -39.819 7.355 6.093 98 2HB HIS 16 2HB HIS 16 -40.638 6.813 7.545 99 HD1 HIS 16 HD1 HIS 16 -41.487 4.498 7.212 100 HD2 HIS 16 HD2 HIS 16 -41.859 6.816 3.735 101 HE1 HIS 16 HE1 HIS 16 -42.595 3.000 5.468 102 H MET 17 H MET 17 -43.823 9.732 6.135 103 HA MET 17 HA MET 17 -45.085 9.601 8.480 104 1HB MET 17 1HB MET 17 -45.754 10.082 5.714 105 2HB MET 17 2HB MET 17 -47.018 9.054 6.360 106 1HG MET 17 1HG MET 17 -47.808 10.685 7.795 107 2HG MET 17 2HG MET 17 -46.207 11.302 8.151 108 1HE MET 17 1HE MET 17 -47.736 13.942 7.776 109 2HE MET 17 2HE MET 17 -48.853 13.900 6.390 110 3HE MET 17 3HE MET 17 -48.947 12.644 7.648 111 HA PRO 18 HA PRO 18 -46.834 5.323 7.401 112 1HB PRO 18 1HB PRO 18 -45.832 3.934 5.271 113 2HB PRO 18 2HB PRO 18 -47.287 4.907 5.182 114 1HG PRO 18 1HG PRO 18 -44.590 5.505 4.128 115 2HG PRO 18 2HG PRO 18 -46.124 6.234 3.696 116 1HD PRO 18 1HD PRO 18 -44.095 7.373 5.373 117 2HD PRO 18 2HD PRO 18 -45.675 8.049 5.035 118 H TYR 19 H TYR 19 -46.232 3.002 7.799 119 HA TYR 19 HA TYR 19 -43.964 3.054 9.493 120 1HB TYR 19 1HB TYR 19 -45.951 1.634 9.899 121 2HB TYR 19 2HB TYR 19 -45.852 0.948 8.289 122 HD1 TYR 19 HD1 TYR 19 -44.918 -1.167 8.042 123 HD2 TYR 19 HD2 TYR 19 -43.794 1.207 11.419 124 HE1 TYR 19 HE1 TYR 19 -43.553 -3.106 8.959 125 HE2 TYR 19 HE2 TYR 19 -42.433 -0.740 12.325 126 HH TYR 19 HH TYR 19 -41.403 -2.688 11.635 127 H GLY 20 H GLY 20 -41.856 2.822 8.955 128 1HA GLY 20 1HA GLY 20 -41.090 0.896 6.933 129 2HA GLY 20 2HA GLY 20 -40.789 2.567 6.500 130 H TYR 21 H TYR 21 -38.967 3.594 7.278 131 HA TYR 21 HA TYR 21 -37.188 1.994 8.891 132 1HB TYR 21 1HB TYR 21 -37.232 4.564 7.262 133 2HB TYR 21 2HB TYR 21 -35.964 4.415 8.462 134 HD1 TYR 21 HD1 TYR 21 -37.477 2.518 5.603 135 HD2 TYR 21 HD2 TYR 21 -33.957 3.380 7.877 136 HE1 TYR 21 HE1 TYR 21 -36.079 1.162 3.967 137 HE2 TYR 21 HE2 TYR 21 -32.571 2.021 6.234 138 HH TYR 21 HH TYR 21 -33.070 1.427 3.521 139 H ALA 22 H ALA 22 -39.446 2.579 10.424 140 HA ALA 22 HA ALA 22 -38.820 4.937 11.990 141 1HB ALA 22 1HB ALA 22 -41.119 4.734 11.709 142 2HB ALA 22 2HB ALA 22 -41.080 2.956 11.789 143 3HB ALA 22 3HB ALA 22 -40.897 3.918 13.276 144 H ALA 23 H ALA 23 -39.306 1.379 12.589 145 HA ALA 23 HA ALA 23 -38.022 1.583 15.136 146 1HB ALA 23 1HB ALA 23 -39.877 -0.083 14.069 147 2HB ALA 23 2HB ALA 23 -38.412 -1.060 13.811 148 3HB ALA 23 3HB ALA 23 -38.848 -0.527 15.453 149 H GLN 24 H GLN 24 -36.886 1.679 11.970 150 HA GLN 24 HA GLN 24 -34.577 0.046 12.481 151 1HB GLN 24 1HB GLN 24 -35.993 0.810 10.174 152 2HB GLN 24 2HB GLN 24 -34.490 1.704 10.055 153 1HG GLN 24 1HG GLN 24 -33.839 -0.302 9.066 154 2HG GLN 24 2HG GLN 24 -33.386 -0.626 10.728 155 1HE2 GLN 24 1HE2 GLN 24 -36.064 -0.920 8.422 156 2HE2 GLN 24 2HE2 GLN 24 -36.724 -2.402 9.028 157 H ALA 25 H ALA 25 -35.553 3.072 13.436 158 HA ALA 25 HA ALA 25 -33.406 4.724 12.773 159 1HB ALA 25 1HB ALA 25 -35.102 5.972 13.644 160 2HB ALA 25 2HB ALA 25 -35.649 4.665 14.721 161 3HB ALA 25 3HB ALA 25 -34.260 5.677 15.184 162 H ARG 26 H ARG 26 -33.662 1.968 14.898 163 HA ARG 26 HA ARG 26 -31.642 2.757 16.676 164 1HB ARG 26 1HB ARG 26 -33.509 0.731 16.614 165 2HB ARG 26 2HB ARG 26 -32.066 -0.167 16.187 166 1HG ARG 26 1HG ARG 26 -31.740 1.738 18.466 167 2HG ARG 26 2HG ARG 26 -32.826 0.396 18.771 168 1HD ARG 26 1HD ARG 26 -30.971 -1.158 17.879 169 2HD ARG 26 2HD ARG 26 -29.905 0.233 17.900 170 HE ARG 26 HE ARG 26 -31.263 -0.081 20.447 171 1HH1 ARG 26 2HH2 ARG 26 -28.562 -1.330 18.524 172 2HH1 ARG 26 1HH2 ARG 26 -27.663 -1.862 19.905 173 1HH2 ARG 26 1HH ARG 26 -28.573 -1.530 22.097 174 H ALA 27 H ALA 27 -31.760 1.169 13.495 175 HA ALA 27 HA ALA 27 -29.147 0.078 13.590 176 1HB ALA 27 1HB ALA 27 -30.300 0.792 10.957 177 2HB ALA 27 2HB ALA 27 -29.733 -0.780 11.570 178 3HB ALA 27 3HB ALA 27 -31.361 -0.196 11.990 179 H ARG 28 H ARG 28 -30.557 3.248 12.815 180 HA ARG 28 HA ARG 28 -28.444 4.233 11.346 181 1HB ARG 28 1HB ARG 28 -30.877 5.195 11.994 182 2HB ARG 28 2HB ARG 28 -29.967 6.045 13.227 183 1HG ARG 28 1HG ARG 28 -28.370 6.510 11.036 184 2HG ARG 28 2HG ARG 28 -29.938 6.404 10.260 185 1HD ARG 28 1HD ARG 28 -29.605 8.110 12.750 186 2HD ARG 28 2HD ARG 28 -29.099 8.735 11.193 187 HE ARG 28 HE ARG 28 -31.846 8.324 12.091 188 1HH1 ARG 28 2HH2 ARG 28 -29.777 8.533 9.221 189 2HH1 ARG 28 1HH2 ARG 28 -31.073 8.992 8.168 190 1HH2 ARG 28 1HH ARG 28 -33.286 9.219 9.059 191 H GLU 29 H GLU 29 -28.941 3.782 14.837 192 HA GLU 29 HA GLU 29 -26.773 5.498 15.532 193 1HB GLU 29 1HB GLU 29 -28.868 3.955 16.930 194 2HB GLU 29 2HB GLU 29 -27.330 3.921 17.769 195 1HG GLU 29 1HG GLU 29 -27.446 6.582 17.106 196 2HG GLU 29 2HG GLU 29 -29.158 6.231 17.244 197 HE2 GLU 29 HE2 GLU 29 -26.876 7.266 19.739 198 H ARG 30 H ARG 30 -27.260 2.130 14.655 199 HA ARG 30 HA ARG 30 -24.762 1.360 15.841 200 1HB ARG 30 1HB ARG 30 -27.108 -0.020 14.611 201 2HB ARG 30 2HB ARG 30 -25.569 -0.800 14.306 202 1HG ARG 30 1HG ARG 30 -26.074 0.099 17.126 203 2HG ARG 30 2HG ARG 30 -27.037 -1.248 16.554 204 1HD ARG 30 1HD ARG 30 -24.482 -1.924 15.650 205 2HD ARG 30 2HD ARG 30 -24.139 -1.138 17.179 206 HE ARG 30 HE ARG 30 -26.340 -2.987 17.481 207 1HH1 ARG 30 2HH2 ARG 30 -22.813 -2.893 17.156 208 2HH1 ARG 30 1HH2 ARG 30 -22.572 -4.393 17.989 209 1HH2 ARG 30 1HH ARG 30 -24.474 -5.594 18.817 210 H GLU 31 H GLU 31 -26.161 2.318 12.730 211 HA GLU 31 HA GLU 31 -24.123 1.216 11.139 212 1HB GLU 31 1HB GLU 31 -26.512 1.976 10.461 213 2HB GLU 31 2HB GLU 31 -25.857 3.600 10.398 214 1HG GLU 31 1HG GLU 31 -24.293 3.019 8.657 215 2HG GLU 31 2HG GLU 31 -24.537 1.301 8.901 216 HE2 GLU 31 HE2 GLU 31 -27.096 3.340 6.625 217 H ARG 32 H ARG 32 -24.485 4.160 13.053 218 HA ARG 32 HA ARG 32 -22.709 5.774 11.726 219 1HB ARG 32 1HB ARG 32 -24.262 5.988 13.993 220 2HB ARG 32 2HB ARG 32 -22.669 5.898 14.719 221 1HG ARG 32 1HG ARG 32 -21.920 7.878 13.658 222 2HG ARG 32 2HG ARG 32 -23.114 7.769 12.380 223 1HD ARG 32 1HD ARG 32 -24.584 9.034 13.566 224 2HD ARG 32 2HD ARG 32 -24.489 7.944 14.935 225 HE ARG 32 HE ARG 32 -22.150 9.315 15.212 226 1HH1 ARG 32 2HH2 ARG 32 -25.446 10.465 14.604 227 2HH1 ARG 32 1HH2 ARG 32 -25.196 11.983 15.400 228 1HH2 ARG 32 1HH ARG 32 -23.057 12.462 16.368 229 H LEU 33 H LEU 33 -22.221 3.008 13.902 230 HA LEU 33 HA LEU 33 -19.396 3.609 14.188 231 1HB LEU 33 1HB LEU 33 -21.325 2.348 15.769 232 2HB LEU 33 2HB LEU 33 -20.285 1.049 15.219 233 HG LEU 33 HG LEU 33 -18.922 3.478 16.268 234 1HD1 LEU 33 1HD1 LEU 33 -19.504 1.798 18.511 235 2HD1 LEU 33 2HD1 LEU 33 -19.852 3.529 18.278 236 3HD1 LEU 33 3HD1 LEU 33 -21.034 2.306 17.755 237 1HD2 LEU 33 1HD2 LEU 33 -18.345 0.681 15.788 238 2HD2 LEU 33 2HD2 LEU 33 -17.237 2.043 16.083 239 3HD2 LEU 33 3HD2 LEU 33 -17.930 1.146 17.456 240 H ALA 34 H ALA 34 -21.524 2.052 11.994 241 HA ALA 34 HA ALA 34 -19.655 0.006 11.209 242 1HB ALA 34 1HB ALA 34 -22.319 0.107 11.135 243 2HB ALA 34 2HB ALA 34 -22.010 0.839 9.542 244 3HB ALA 34 3HB ALA 34 -21.393 -0.790 9.908 245 H HIS 35 H HIS 35 -19.482 3.261 11.020 246 HA HIS 35 HA HIS 35 -18.787 3.401 8.213 247 1HB HIS 35 1HB HIS 35 -19.432 5.318 10.371 248 2HB HIS 35 2HB HIS 35 -18.189 5.854 9.259 249 HD1 HIS 35 HD1 HIS 35 -21.805 5.672 9.635 250 HD2 HIS 35 HD2 HIS 35 -19.115 5.726 6.417 251 HE1 HIS 35 HE1 HIS 35 -23.168 6.311 7.575 252 H SER 36 H SER 36 -17.342 2.558 11.190 253 HA SER 36 HA SER 36 -14.762 3.590 10.447 254 1HB SER 36 1HB SER 36 -16.045 2.877 12.889 255 2HB SER 36 2HB SER 36 -14.719 1.746 12.700 256 HG SER 36 HG SER 36 -14.223 3.846 13.809 257 H ARG 37 H ARG 37 -16.718 0.735 10.064 258 HA ARG 37 HA ARG 37 -14.430 -0.966 9.740 259 1HB ARG 37 1HB ARG 37 -17.012 -1.440 10.590 260 2HB ARG 37 2HB ARG 37 -17.139 -1.938 8.915 261 1HG ARG 37 1HG ARG 37 -15.008 -3.345 9.304 262 2HG ARG 37 2HG ARG 37 -15.200 -3.005 11.012 263 1HD ARG 37 1HD ARG 37 -16.803 -4.604 11.212 264 2HD ARG 37 2HD ARG 37 -17.756 -3.878 9.934 265 HE ARG 37 HE ARG 37 -15.819 -5.131 8.480 266 1HH1 ARG 37 2HH2 ARG 37 -17.812 -6.294 11.170 267 2HH1 ARG 37 1HH2 ARG 37 -17.789 -7.942 10.637 268 1HH2 ARG 37 1HH ARG 37 -16.594 -8.514 8.640 269 H ALA 38 H ALA 38 -15.419 1.455 7.922 270 HA ALA 38 HA ALA 38 -16.206 0.404 5.465 271 1HB ALA 38 1HB ALA 38 -15.851 2.892 6.563 272 2HB ALA 38 2HB ALA 38 -14.477 2.811 5.433 273 3HB ALA 38 3HB ALA 38 -16.137 2.586 4.833 274 H ALA 39 H ALA 39 -12.907 1.394 6.639 275 HA ALA 39 HA ALA 39 -11.505 0.614 4.408 276 1HB ALA 39 1HB ALA 39 -9.764 0.097 6.462 277 2HB ALA 39 2HB ALA 39 -10.120 1.723 5.830 278 3HB ALA 39 3HB ALA 39 -10.965 1.127 7.278 279 H ALA 40 H ALA 40 -9.700 -1.312 4.754 280 HA ALA 40 HA ALA 40 -11.332 -3.697 4.722 281 1HB ALA 40 1HB ALA 40 -9.404 -2.919 3.087 282 2HB ALA 40 2HB ALA 40 -8.347 -3.648 4.320 283 3HB ALA 40 3HB ALA 40 -9.585 -4.638 3.509 284 H ALA 41 H ALA 41 -11.602 -2.920 7.232 285 HA ALA 41 HA ALA 41 -11.352 -3.578 9.330 286 1HB ALA 41 1HB ALA 41 -10.916 -5.786 9.638 287 2HB ALA 41 2HB ALA 41 -10.813 -5.836 7.861 288 3HB ALA 41 3HB ALA 41 -9.331 -5.686 8.835 289 H ALA 42 H ALA 42 -10.165 -1.344 9.109 290 HA ALA 42 HA ALA 42 -7.354 -1.723 9.879 291 1HB ALA 42 1HB ALA 42 -7.772 -0.403 7.806 292 2HB ALA 42 2HB ALA 42 -8.754 0.737 8.757 293 3HB ALA 42 3HB ALA 42 -7.014 0.568 9.091 294 H ALA 43 H ALA 43 -10.098 0.606 10.436 295 HA ALA 43 HA ALA 43 -9.208 1.644 12.792 296 1HB ALA 43 1HB ALA 43 -11.253 2.647 12.823 297 2HB ALA 43 2HB ALA 43 -11.418 1.913 11.210 298 3HB ALA 43 3HB ALA 43 -12.126 1.108 12.631 299 H VAL 44 H VAL 44 -10.386 -1.593 12.117 300 HA VAL 44 HA VAL 44 -10.777 -2.112 14.959 301 HB VAL 44 HB VAL 44 -11.729 -3.215 12.426 302 1HG1 VAL 44 1HG1 VAL 44 -11.897 -5.544 13.165 303 2HG1 VAL 44 2HG1 VAL 44 -10.194 -5.044 13.031 304 3HG1 VAL 44 3HG1 VAL 44 -10.964 -5.159 14.632 305 1HG2 VAL 44 1HG2 VAL 44 -12.779 -2.324 14.862 306 2HG2 VAL 44 2HG2 VAL 44 -13.678 -3.050 13.508 307 3HG2 VAL 44 3HG2 VAL 44 -13.101 -4.075 14.844 308 H ALA 45 H ALA 45 -8.562 -2.671 12.237 309 HA ALA 45 HA ALA 45 -7.136 -4.819 12.959 310 1HB ALA 45 1HB ALA 45 -5.258 -3.781 11.838 311 2HB ALA 45 2HB ALA 45 -6.749 -3.258 11.019 312 3HB ALA 45 3HB ALA 45 -5.915 -2.155 12.140 313 H ALA 46 H ALA 46 -6.351 -1.468 14.149 314 HA ALA 46 HA ALA 46 -4.495 -2.285 16.030 315 1HB ALA 46 1HB ALA 46 -4.794 -0.049 16.960 316 2HB ALA 46 2HB ALA 46 -4.864 0.037 15.184 317 3HB ALA 46 3HB ALA 46 -6.364 0.116 16.138 318 H ALA 47 H ALA 47 -8.019 -1.507 16.478 319 HA ALA 47 HA ALA 47 -8.057 -2.273 19.175 320 1HB ALA 47 1HB ALA 47 -10.362 -1.875 19.027 321 2HB ALA 47 2HB ALA 47 -9.707 -0.851 17.726 322 3HB ALA 47 3HB ALA 47 -10.449 -2.421 17.335 323 H THR 48 H THR 48 -10.265 -4.072 19.337 324 HA THR 48 HA THR 48 -10.269 -6.340 17.891 325 HB THR 48 HB THR 48 -7.975 -6.854 18.023 326 HG1 THR 48 HG1 THR 48 -7.911 -8.448 19.856 327 1HG2 THR 48 1HG2 THR 48 -6.964 -6.715 20.544 328 2HG2 THR 48 2HG2 THR 48 -6.859 -5.346 19.412 329 3HG2 THR 48 3HG2 THR 48 -8.142 -5.384 20.646 330 H ALA 49 H ALA 49 -10.937 -8.348 19.241 331 HA ALA 49 HA ALA 49 -13.146 -7.716 20.691 332 1HB ALA 49 1HB ALA 49 -11.320 -10.143 20.921 333 2HB ALA 49 2HB ALA 49 -12.986 -10.058 21.541 334 3HB ALA 49 3HB ALA 49 -12.681 -9.940 19.792 335 H ALA 50 H ALA 50 -9.757 -7.681 21.695 336 HA ALA 50 HA ALA 50 -10.445 -7.579 24.499 337 1HB ALA 50 1HB ALA 50 -7.797 -7.204 23.042 338 2HB ALA 50 2HB ALA 50 -8.010 -7.414 24.797 339 3HB ALA 50 3HB ALA 50 -8.413 -8.745 23.685 340 H VAL 51 H VAL 51 -11.911 -5.621 23.308 341 HA VAL 51 HA VAL 51 -10.739 -3.271 24.471 342 HB VAL 51 HB VAL 51 -11.272 -3.470 21.504 343 1HG1 VAL 51 1HG1 VAL 51 -11.258 -1.119 23.337 344 2HG1 VAL 51 2HG1 VAL 51 -10.417 -0.941 21.779 345 3HG1 VAL 51 3HG1 VAL 51 -12.141 -1.385 21.815 346 1HG2 VAL 51 1HG2 VAL 51 -8.802 -2.880 23.156 347 2HG2 VAL 51 2HG2 VAL 51 -9.063 -4.204 21.994 348 3HG2 VAL 51 3HG2 VAL 51 -8.915 -2.527 21.415 349 H GLU 52 H GLU 52 -12.722 -4.377 25.684 350 HA GLU 52 HA GLU 52 -15.066 -2.965 24.679 351 1HB GLU 52 1HB GLU 52 -14.971 -5.637 24.567 352 2HB GLU 52 2HB GLU 52 -15.398 -5.510 26.262 353 1HG GLU 52 1HG GLU 52 -17.550 -5.007 25.750 354 2HG GLU 52 2HG GLU 52 -17.050 -3.672 24.732 355 HE2 GLU 52 HE2 GLU 52 -17.807 -4.005 22.718 356 H GLY 53 H GLY 53 -16.741 -2.615 26.534 357 1HA GLY 53 1HA GLY 53 -15.228 -1.766 28.915 358 2HA GLY 53 2HA GLY 53 -16.735 -1.083 28.337 359 H THR 54 H THR 54 -18.730 -2.483 28.417 360 HA THR 54 HA THR 54 -18.791 -3.871 30.937 361 HB THR 54 HB THR 54 -21.168 -3.712 30.638 362 HG1 THR 54 HG1 THR 54 -20.330 -3.461 27.837 363 1HG2 THR 54 1HG2 THR 54 -19.816 -1.408 30.452 364 2HG2 THR 54 2HG2 THR 54 -20.391 -1.459 28.768 365 3HG2 THR 54 3HG2 THR 54 -21.562 -1.449 30.109 366 H GLY 55 H GLY 55 -19.505 -6.048 31.283 367 1HA GLY 55 1HA GLY 55 -19.217 -7.804 28.934 368 2HA GLY 55 2HA GLY 55 -18.241 -8.079 30.363 369 H GLY 56 H GLY 56 -19.043 -9.790 31.500 370 1HA GLY 56 1HA GLY 56 -21.593 -9.695 32.699 371 2HA GLY 56 2HA GLY 56 -21.656 -10.754 31.303 372 H SER 57 H SER 57 -20.248 -10.226 34.525 373 HA SER 57 HA SER 57 -19.494 -13.035 34.497 374 1HB SER 57 1HB SER 57 -17.499 -12.449 35.916 375 2HB SER 57 2HB SER 57 -17.399 -11.837 34.278 376 HG SER 57 HG SER 57 -16.924 -10.364 36.270 377 H GLY 58 H GLY 58 -19.331 -13.942 36.797 378 1HA GLY 58 1HA GLY 58 -21.211 -12.507 38.579 379 2HA GLY 58 2HA GLY 58 -21.201 -14.245 38.356 380 H GLY 59 H GLY 59 -19.699 -15.547 39.461 381 1HA GLY 59 1HA GLY 59 -17.696 -14.127 41.099 382 2HA GLY 59 2HA GLY 59 -18.806 -15.272 41.825 383 H GLY 60 H GLY 60 -15.974 -14.851 39.746 384 1HA GLY 60 1HA GLY 60 -15.774 -17.690 39.145 385 2HA GLY 60 2HA GLY 60 -14.702 -16.404 38.626 386 HA PRO 61 HA PRO 61 -12.661 -18.593 42.063 387 1HB PRO 61 1HB PRO 61 -10.413 -19.401 40.736 388 2HB PRO 61 2HB PRO 61 -11.821 -20.423 40.947 389 1HG PRO 61 1HG PRO 61 -10.911 -19.000 38.521 390 2HG PRO 61 2HG PRO 61 -12.038 -20.335 38.652 391 1HD PRO 61 1HD PRO 61 -12.689 -17.575 38.219 392 2HD PRO 61 2HD PRO 61 -13.819 -18.892 38.466 393 H HIS 62 H HIS 62 -10.711 -18.094 43.302 394 HA HIS 62 HA HIS 62 -9.271 -15.819 42.297 395 1HB HIS 62 1HB HIS 62 -11.402 -14.931 43.363 396 2HB HIS 62 2HB HIS 62 -10.795 -15.529 44.894 397 HD1 HIS 62 HD1 HIS 62 -8.268 -14.523 45.539 398 HD2 HIS 62 HD2 HIS 62 -10.597 -12.382 42.785 399 HE1 HIS 62 HE1 HIS 62 -7.300 -12.164 45.466 400 H HIS 63 H HIS 63 -10.027 -17.569 45.399 401 HA HIS 63 HA HIS 63 -7.514 -18.819 45.438 402 1HB HIS 63 1HB HIS 63 -7.060 -16.304 46.020 403 2HB HIS 63 2HB HIS 63 -7.724 -16.726 47.586 404 HD1 HIS 63 HD1 HIS 63 -5.653 -16.750 49.027 405 HD2 HIS 63 HD2 HIS 63 -5.198 -18.997 45.515 406 HE1 HIS 63 HE1 HIS 63 -3.412 -17.953 49.233 407 H HIS 64 H HIS 64 -8.982 -20.593 45.748 408 HA HIS 64 HA HIS 64 -10.414 -20.532 48.290 409 1HB HIS 64 1HB HIS 64 -10.898 -21.724 45.660 410 2HB HIS 64 2HB HIS 64 -11.105 -22.875 46.966 411 HD1 HIS 64 HD1 HIS 64 -12.767 -21.945 49.004 412 HD2 HIS 64 HD2 HIS 64 -13.089 -20.142 45.230 413 HE1 HIS 64 HE1 HIS 64 -15.031 -20.770 48.964 414 H HIS 65 H HIS 65 -10.523 -22.977 49.239 415 HA HIS 65 HA HIS 65 -8.636 -24.815 48.978 416 1HB HIS 65 1HB HIS 65 -6.708 -23.616 49.150 417 2HB HIS 65 2HB HIS 65 -7.425 -22.371 50.152 418 HD1 HIS 65 HD1 HIS 65 -6.197 -25.982 50.455 419 HD2 HIS 65 HD2 HIS 65 -6.843 -22.586 52.831 420 HE1 HIS 65 HE1 HIS 65 -5.264 -26.537 52.765 421 H GLN 66 H GLN 66 -9.380 -26.434 50.261 422 HA GLN 66 HA GLN 66 -11.409 -26.028 52.035 423 1HB GLN 66 1HB GLN 66 -11.052 -28.363 52.717 424 2HB GLN 66 2HB GLN 66 -10.860 -28.205 50.983 425 1HG GLN 66 1HG GLN 66 -8.363 -28.058 51.299 426 2HG GLN 66 2HG GLN 66 -8.585 -28.290 53.021 427 1HE2 GLN 66 1HE2 GLN 66 -8.876 -29.720 49.844 428 2HE2 GLN 66 2HE2 GLN 66 -8.951 -31.382 50.326 429 H THR 67 H THR 67 -11.282 -26.839 54.478 430 HA THR 67 HA THR 67 -9.826 -24.930 55.891 431 HB THR 67 HB THR 67 -11.952 -26.261 56.536 432 HG1 THR 67 HG1 THR 67 -10.780 -24.929 58.057 433 1HG2 THR 67 1HG2 THR 67 -11.669 -28.353 57.689 434 2HG2 THR 67 2HG2 THR 67 -10.756 -28.552 56.174 435 3HG2 THR 67 3HG2 THR 67 -9.896 -28.197 57.691 436 H ARG 68 H ARG 68 -8.693 -26.423 58.065 437 HA ARG 68 HA ARG 68 -6.784 -27.194 58.716 438 1HB ARG 68 1HB ARG 68 -7.521 -29.271 57.495 439 2HB ARG 68 2HB ARG 68 -6.701 -28.704 56.054 440 1HG ARG 68 1HG ARG 68 -4.591 -28.530 57.672 441 2HG ARG 68 2HG ARG 68 -5.500 -29.652 58.666 442 1HD ARG 68 1HD ARG 68 -5.070 -31.398 57.262 443 2HD ARG 68 2HD ARG 68 -5.543 -30.478 55.847 444 HE ARG 68 HE ARG 68 -2.815 -30.723 56.955 445 1HH1 ARG 68 2HH2 ARG 68 -4.939 -29.037 54.675 446 2HH1 ARG 68 1HH2 ARG 68 -3.634 -28.453 53.698 447 1HH2 ARG 68 1HH ARG 68 -1.380 -29.004 54.299 448 H GLY 69 H GLY 69 -5.231 -25.589 58.841 449 1HA GLY 69 1HA GLY 69 -3.765 -24.947 56.354 450 2HA GLY 69 2HA GLY 69 -4.280 -23.713 57.486 451 H ALA 70 H ALA 70 -3.465 -23.871 59.789 452 HA ALA 70 HA ALA 70 -0.759 -25.016 59.761 453 1HB ALA 70 1HB ALA 70 -0.339 -23.259 61.538 454 2HB ALA 70 2HB ALA 70 -0.705 -22.612 59.920 455 3HB ALA 70 3HB ALA 70 -1.958 -22.610 61.184 456 H TYR 71 H TYR 71 0.014 -26.010 61.760 457 HA TYR 71 HA TYR 71 -1.827 -27.771 62.869 458 1HB TYR 71 1HB TYR 71 0.793 -27.752 62.705 459 2HB TYR 71 2HB TYR 71 0.778 -26.665 64.079 460 HD1 TYR 71 HD1 TYR 71 1.253 -29.966 63.190 461 HD2 TYR 71 HD2 TYR 71 -0.845 -27.622 66.090 462 HE1 TYR 71 HE1 TYR 71 1.202 -31.955 64.772 463 HE2 TYR 71 HE2 TYR 71 -0.888 -29.619 67.662 464 HH TYR 71 HH TYR 71 1.000 -31.996 67.605 465 H SER 72 H SER 72 -3.266 -27.645 64.530 466 HA SER 72 HA SER 72 -3.644 -25.134 65.753 467 1HB SER 72 1HB SER 72 -5.377 -27.012 65.158 468 2HB SER 72 2HB SER 72 -4.914 -27.724 66.692 469 HG SER 72 HG SER 72 -5.440 -24.986 66.891 470 H SER 73 H SER 73 -2.707 -24.366 67.616 471 HA SER 73 HA SER 73 -2.235 -26.012 69.812 472 1HB SER 73 1HB SER 73 -0.295 -26.576 68.110 473 2HB SER 73 2HB SER 73 0.368 -25.033 68.612 474 HG SER 73 HG SER 73 -0.144 -26.066 70.911 475 H HIS 74 H HIS 74 -2.106 -24.692 71.644 476 HA HIS 74 HA HIS 74 -2.414 -21.906 71.204 477 1HB HIS 74 1HB HIS 74 -2.227 -23.620 73.688 478 2HB HIS 74 2HB HIS 74 -2.413 -21.879 73.756 479 HD1 HIS 74 HD1 HIS 74 -4.540 -21.303 71.674 480 HD2 HIS 74 HD2 HIS 74 -4.702 -24.627 74.228 481 HE1 HIS 74 HE1 HIS 74 -6.992 -22.002 71.783 482 H ASP 75 H ASP 75 -0.448 -21.276 70.129 483 HA ASP 75 HA ASP 75 1.655 -20.716 69.955 484 1HB ASP 75 1HB ASP 75 2.578 -19.435 71.947 485 2HB ASP 75 2HB ASP 75 0.997 -18.907 71.406 486 HD2 ASP 75 HD2 ASP 75 -0.121 -18.874 74.423 Start of MODEL 13 1 H MET 1 H MET 1 -65.634 -14.005 -13.225 2 HA MET 1 HA MET 1 -66.942 -11.790 -11.852 3 1HB MET 1 1HB MET 1 -66.796 -14.775 -11.450 4 2HB MET 1 2HB MET 1 -66.821 -13.809 -9.988 5 1HG MET 1 1HG MET 1 -68.936 -12.781 -10.589 6 2HG MET 1 2HG MET 1 -68.854 -13.401 -12.225 7 1HE MET 1 1HE MET 1 -68.605 -14.266 -8.608 8 2HE MET 1 2HE MET 1 -70.384 -14.307 -8.632 9 3HE MET 1 3HE MET 1 -69.463 -15.811 -8.392 10 H GLU 2 H GLU 2 -66.052 -11.166 -9.693 11 HA GLU 2 HA GLU 2 -63.184 -11.183 -9.852 12 1HB GLU 2 1HB GLU 2 -65.115 -9.316 -9.018 13 2HB GLU 2 2HB GLU 2 -64.352 -9.822 -7.523 14 1HG GLU 2 1HG GLU 2 -62.868 -8.147 -8.138 15 2HG GLU 2 2HG GLU 2 -62.100 -9.501 -8.942 16 HE2 GLU 2 HE2 GLU 2 -61.375 -8.571 -10.667 17 H VAL 3 H VAL 3 -62.850 -13.475 -9.345 18 HA VAL 3 HA VAL 3 -63.684 -14.338 -6.710 19 HB VAL 3 HB VAL 3 -63.734 -15.706 -8.872 20 1HG1 VAL 3 1HG1 VAL 3 -60.765 -15.763 -8.267 21 2HG1 VAL 3 2HG1 VAL 3 -61.583 -16.999 -9.253 22 3HG1 VAL 3 3HG1 VAL 3 -61.572 -15.300 -9.784 23 1HG2 VAL 3 1HG2 VAL 3 -62.237 -17.284 -6.843 24 2HG2 VAL 3 2HG2 VAL 3 -63.690 -16.429 -6.273 25 3HG2 VAL 3 3HG2 VAL 3 -63.812 -17.596 -7.612 26 H ALA 4 H ALA 4 -61.687 -15.805 -5.679 27 HA ALA 4 HA ALA 4 -59.795 -13.773 -4.925 28 1HB ALA 4 1HB ALA 4 -59.046 -15.570 -3.331 29 2HB ALA 4 2HB ALA 4 -60.777 -15.175 -3.208 30 3HB ALA 4 3HB ALA 4 -60.260 -16.652 -4.056 31 H MET 5 H MET 5 -58.656 -13.449 -6.944 32 HA MET 5 HA MET 5 -57.570 -15.432 -8.459 33 1HB MET 5 1HB MET 5 -57.140 -12.531 -7.973 34 2HB MET 5 2HB MET 5 -55.688 -13.334 -8.536 35 1HG MET 5 1HG MET 5 -57.696 -14.389 -10.200 36 2HG MET 5 2HG MET 5 -58.170 -12.713 -10.008 37 1HE MET 5 1HE MET 5 -57.917 -13.483 -12.440 38 2HE MET 5 2HE MET 5 -57.088 -12.024 -13.035 39 3HE MET 5 3HE MET 5 -56.380 -13.631 -13.327 40 H VAL 6 H VAL 6 -55.498 -16.471 -8.569 41 HA VAL 6 HA VAL 6 -54.375 -16.998 -6.000 42 HB VAL 6 HB VAL 6 -54.725 -18.535 -8.062 43 1HG1 VAL 6 1HG1 VAL 6 -51.890 -17.952 -8.759 44 2HG1 VAL 6 2HG1 VAL 6 -53.230 -18.531 -9.778 45 3HG1 VAL 6 3HG1 VAL 6 -53.116 -16.806 -9.352 46 1HG2 VAL 6 1HG2 VAL 6 -52.926 -18.571 -5.835 47 2HG2 VAL 6 2HG2 VAL 6 -53.700 -19.940 -6.669 48 3HG2 VAL 6 3HG2 VAL 6 -52.120 -19.338 -7.224 49 H SER 7 H SER 7 -51.628 -17.246 -6.510 50 HA SER 7 HA SER 7 -49.847 -16.029 -6.146 51 1HB SER 7 1HB SER 7 -49.099 -14.681 -8.058 52 2HB SER 7 2HB SER 7 -49.889 -16.139 -8.624 53 HG SER 7 HG SER 7 -50.611 -14.273 -9.810 54 H ALA 8 H ALA 8 -50.590 -15.003 -4.153 55 HA ALA 8 HA ALA 8 -51.974 -12.518 -4.263 56 1HB ALA 8 1HB ALA 8 -51.782 -14.414 -2.403 57 2HB ALA 8 2HB ALA 8 -50.406 -13.422 -1.865 58 3HB ALA 8 3HB ALA 8 -52.034 -12.709 -1.958 59 H GLU 9 H GLU 9 -50.487 -11.480 -5.882 60 HA GLU 9 HA GLU 9 -47.839 -10.955 -5.160 61 1HB GLU 9 1HB GLU 9 -48.921 -10.866 -7.494 62 2HB GLU 9 2HB GLU 9 -49.552 -9.293 -7.048 63 1HG GLU 9 1HG GLU 9 -47.477 -8.892 -8.211 64 2HG GLU 9 2HG GLU 9 -47.167 -8.565 -6.517 65 HE2 GLU 9 HE2 GLU 9 -45.633 -10.792 -5.509 66 H SER 10 H SER 10 -46.883 -8.824 -4.593 67 HA SER 10 HA SER 10 -48.622 -7.495 -2.710 68 1HB SER 10 1HB SER 10 -46.484 -6.435 -1.911 69 2HB SER 10 2HB SER 10 -46.472 -8.186 -1.831 70 HG SER 10 HG SER 10 -45.071 -6.442 -3.618 71 H SER 11 H SER 11 -49.824 -5.840 -3.594 72 HA SER 11 HA SER 11 -48.465 -3.646 -4.695 73 1HB SER 11 1HB SER 11 -49.968 -5.492 -6.568 74 2HB SER 11 2HB SER 11 -49.917 -3.772 -6.898 75 HG SER 11 HG SER 11 -48.074 -4.306 -7.883 76 H GLY 12 H GLY 12 -50.162 -1.900 -5.401 77 1HA GLY 12 1HA GLY 12 -52.206 -0.897 -5.186 78 2HA GLY 12 2HA GLY 12 -52.855 -2.337 -4.427 79 H CYS 13 H CYS 13 -52.901 0.633 -3.659 80 HA CYS 13 HA CYS 13 -52.904 1.808 -1.806 81 1HB CYS 13 1HB CYS 13 -53.631 -0.620 -0.905 82 2HB CYS 13 2HB CYS 13 -52.142 -0.442 0.002 83 HG CYS 13 HG CYS 13 -54.367 0.304 1.349 84 H ASN 14 H ASN 14 -50.998 2.955 -2.566 85 HA ASN 14 HA ASN 14 -48.465 1.913 -1.681 86 1HB ASN 14 1HB ASN 14 -49.411 3.759 -3.749 87 2HB ASN 14 2HB ASN 14 -48.150 4.526 -2.806 88 1HD2 ASN 14 1HD2 ASN 14 -48.475 3.167 -5.567 89 2HD2 ASN 14 2HD2 ASN 14 -47.059 2.184 -5.731 90 H SER 15 H SER 15 -50.652 2.958 0.189 91 HA SER 15 HA SER 15 -48.951 4.846 1.568 92 1HB SER 15 1HB SER 15 -51.832 5.340 0.753 93 2HB SER 15 2HB SER 15 -51.162 6.124 2.170 94 HG SER 15 HG SER 15 -49.391 6.896 0.707 95 H HIS 16 H HIS 16 -48.590 2.762 2.777 96 HA HIS 16 HA HIS 16 -50.107 2.699 5.101 97 1HB HIS 16 1HB HIS 16 -51.856 1.700 3.729 98 2HB HIS 16 2HB HIS 16 -50.748 0.474 3.147 99 HD1 HIS 16 HD1 HIS 16 -51.821 -1.600 4.130 100 HD2 HIS 16 HD2 HIS 16 -51.172 1.404 6.985 101 HE1 HIS 16 HE1 HIS 16 -52.347 -2.643 6.399 102 H MET 17 H MET 17 -47.555 3.035 5.075 103 HA MET 17 HA MET 17 -46.196 0.499 4.976 104 1HB MET 17 1HB MET 17 -45.406 3.421 5.304 105 2HB MET 17 2HB MET 17 -44.250 2.177 5.738 106 1HG MET 17 1HG MET 17 -45.638 1.999 3.053 107 2HG MET 17 2HG MET 17 -44.331 3.149 3.252 108 1HE MET 17 1HE MET 17 -43.578 1.881 1.287 109 2HE MET 17 2HE MET 17 -42.368 0.582 1.418 110 3HE MET 17 3HE MET 17 -44.093 0.177 1.252 111 HA PRO 18 HA PRO 18 -46.847 0.122 9.315 112 1HB PRO 18 1HB PRO 18 -46.042 -2.479 9.543 113 2HB PRO 18 2HB PRO 18 -47.680 -2.016 9.124 114 1HG PRO 18 1HG PRO 18 -45.553 -3.094 7.376 115 2HG PRO 18 2HG PRO 18 -47.281 -3.027 7.089 116 1HD PRO 18 1HD PRO 18 -45.285 -1.310 5.950 117 2HD PRO 18 2HD PRO 18 -47.021 -1.172 5.756 118 H TYR 19 H TYR 19 -45.567 -0.557 11.303 119 HA TYR 19 HA TYR 19 -43.366 0.936 11.544 120 1HB TYR 19 1HB TYR 19 -42.775 -0.753 13.358 121 2HB TYR 19 2HB TYR 19 -44.486 -0.375 13.354 122 HD1 TYR 19 HD1 TYR 19 -41.974 -2.964 12.794 123 HD2 TYR 19 HD2 TYR 19 -46.134 -2.017 12.477 124 HE1 TYR 19 HE1 TYR 19 -42.527 -5.435 12.571 125 HE2 TYR 19 HE2 TYR 19 -46.673 -4.492 12.255 126 HH TYR 19 HH TYR 19 -45.425 -6.538 11.443 127 H GLY 20 H GLY 20 -41.447 1.082 10.504 128 1HA GLY 20 1HA GLY 20 -39.928 -1.321 9.955 129 2HA GLY 20 2HA GLY 20 -40.494 -0.474 8.529 130 H TYR 21 H TYR 21 -39.367 1.304 7.787 131 HA TYR 21 HA TYR 21 -36.842 1.850 8.531 132 1HB TYR 21 1HB TYR 21 -39.116 3.115 7.111 133 2HB TYR 21 2HB TYR 21 -38.084 4.342 7.819 134 HD1 TYR 21 HD1 TYR 21 -37.676 1.144 5.881 135 HD2 TYR 21 HD2 TYR 21 -36.414 5.190 6.461 136 HE1 TYR 21 HE1 TYR 21 -36.068 0.930 3.924 137 HE2 TYR 21 HE2 TYR 21 -34.810 4.963 4.501 138 HH TYR 21 HH TYR 21 -34.114 3.709 2.885 139 H ALA 22 H ALA 22 -39.822 2.979 10.123 140 HA ALA 22 HA ALA 22 -38.622 5.058 11.597 141 1HB ALA 22 1HB ALA 22 -40.793 5.403 12.051 142 2HB ALA 22 2HB ALA 22 -41.195 3.876 11.229 143 3HB ALA 22 3HB ALA 22 -40.858 3.885 12.977 144 H ALA 23 H ALA 23 -39.294 1.567 12.280 145 HA ALA 23 HA ALA 23 -38.113 1.746 14.881 146 1HB ALA 23 1HB ALA 23 -38.472 -0.722 14.850 147 2HB ALA 23 2HB ALA 23 -39.938 0.186 14.412 148 3HB ALA 23 3HB ALA 23 -38.970 -0.606 13.146 149 H GLN 24 H GLN 24 -36.855 1.853 11.762 150 HA GLN 24 HA GLN 24 -34.576 0.203 12.359 151 1HB GLN 24 1HB GLN 24 -35.335 1.864 9.919 152 2HB GLN 24 2HB GLN 24 -33.850 0.941 10.032 153 1HG GLN 24 1HG GLN 24 -36.429 -0.490 10.653 154 2HG GLN 24 2HG GLN 24 -36.104 -0.100 8.976 155 1HE2 GLN 24 1HE2 GLN 24 -35.574 -2.244 11.493 156 2HE2 GLN 24 2HE2 GLN 24 -34.294 -3.200 10.823 157 H ALA 25 H ALA 25 -35.574 3.237 13.267 158 HA ALA 25 HA ALA 25 -33.392 4.874 12.681 159 1HB ALA 25 1HB ALA 25 -34.333 6.338 14.319 160 2HB ALA 25 2HB ALA 25 -35.708 5.491 13.570 161 3HB ALA 25 3HB ALA 25 -35.121 4.991 15.175 162 H ARG 26 H ARG 26 -33.751 2.131 14.808 163 HA ARG 26 HA ARG 26 -31.799 2.917 16.662 164 1HB ARG 26 1HB ARG 26 -33.649 0.813 16.403 165 2HB ARG 26 2HB ARG 26 -32.103 -0.001 16.279 166 1HG ARG 26 1HG ARG 26 -32.010 0.071 18.548 167 2HG ARG 26 2HG ARG 26 -31.691 1.787 18.394 168 1HD ARG 26 1HD ARG 26 -34.450 1.729 18.125 169 2HD ARG 26 2HD ARG 26 -34.188 0.396 19.232 170 HE ARG 26 HE ARG 26 -33.539 1.921 20.889 171 1HH1 ARG 26 2HH2 ARG 26 -33.456 3.545 17.740 172 2HH1 ARG 26 1HH2 ARG 26 -33.172 5.113 18.417 173 1HH2 ARG 26 1HH ARG 26 -33.004 5.352 20.796 174 H ALA 27 H ALA 27 -31.798 1.314 13.487 175 HA ALA 27 HA ALA 27 -29.198 0.208 13.694 176 1HB ALA 27 1HB ALA 27 -29.914 0.737 10.975 177 2HB ALA 27 2HB ALA 27 -29.981 -0.810 11.853 178 3HB ALA 27 3HB ALA 27 -31.396 0.271 11.845 179 H ARG 28 H ARG 28 -30.555 3.383 12.847 180 HA ARG 28 HA ARG 28 -28.379 4.347 11.460 181 1HB ARG 28 1HB ARG 28 -30.846 5.321 12.074 182 2HB ARG 28 2HB ARG 28 -29.912 6.222 13.251 183 1HG ARG 28 1HG ARG 28 -28.459 7.130 11.478 184 2HG ARG 28 2HG ARG 28 -29.242 6.128 10.273 185 1HD ARG 28 1HD ARG 28 -31.433 7.415 11.334 186 2HD ARG 28 2HD ARG 28 -30.208 8.646 11.565 187 HE ARG 28 HE ARG 28 -30.190 7.442 8.884 188 1HH1 ARG 28 2HH2 ARG 28 -31.515 10.033 10.905 189 2HH1 ARG 28 1HH2 ARG 28 -31.909 11.050 9.559 190 1HH2 ARG 28 1HH ARG 28 -31.428 10.295 7.336 191 H GLU 29 H GLU 29 -29.019 3.917 14.930 192 HA GLU 29 HA GLU 29 -26.872 5.624 15.704 193 1HB GLU 29 1HB GLU 29 -29.145 4.492 16.959 194 2HB GLU 29 2HB GLU 29 -27.774 3.765 17.773 195 1HG GLU 29 1HG GLU 29 -26.877 5.898 18.418 196 2HG GLU 29 2HG GLU 29 -27.881 6.763 17.271 197 HE2 GLU 29 HE2 GLU 29 -30.644 5.883 18.263 198 H ARG 30 H ARG 30 -27.342 2.255 14.825 199 HA ARG 30 HA ARG 30 -24.899 1.477 16.114 200 1HB ARG 30 1HB ARG 30 -27.202 0.103 14.797 201 2HB ARG 30 2HB ARG 30 -25.657 -0.687 14.558 202 1HG ARG 30 1HG ARG 30 -26.245 0.228 17.352 203 2HG ARG 30 2HG ARG 30 -27.227 -1.095 16.755 204 1HD ARG 30 1HD ARG 30 -25.492 -2.440 17.391 205 2HD ARG 30 2HD ARG 30 -24.698 -1.885 15.932 206 HE ARG 30 HE ARG 30 -24.051 0.105 17.706 207 1HH1 ARG 30 2HH2 ARG 30 -23.831 -3.424 17.931 208 2HH1 ARG 30 1HH2 ARG 30 -22.474 -3.395 19.008 209 1HH2 ARG 30 1HH ARG 30 -21.567 -1.286 19.696 210 H GLU 31 H GLU 31 -26.166 2.426 12.944 211 HA GLU 31 HA GLU 31 -24.134 1.287 11.406 212 1HB GLU 31 1HB GLU 31 -26.486 2.859 10.986 213 2HB GLU 31 2HB GLU 31 -25.172 3.711 10.200 214 1HG GLU 31 1HG GLU 31 -24.635 1.847 8.800 215 2HG GLU 31 2HG GLU 31 -25.514 0.717 9.812 216 HE2 GLU 31 HE2 GLU 31 -28.579 1.472 8.840 217 H ARG 32 H ARG 32 -24.227 4.015 13.561 218 HA ARG 32 HA ARG 32 -22.439 5.694 12.335 219 1HB ARG 32 1HB ARG 32 -23.870 5.957 14.534 220 2HB ARG 32 2HB ARG 32 -22.484 5.260 15.348 221 1HG ARG 32 1HG ARG 32 -21.068 7.080 14.138 222 2HG ARG 32 2HG ARG 32 -22.594 7.848 13.748 223 1HD ARG 32 1HD ARG 32 -22.575 8.822 15.800 224 2HD ARG 32 2HD ARG 32 -22.773 7.235 16.518 225 HE ARG 32 HE ARG 32 -20.479 7.194 17.052 226 1HH1 ARG 32 2HH2 ARG 32 -21.130 9.878 14.832 227 2HH1 ARG 32 1HH2 ARG 32 -19.560 10.583 15.027 228 1HH2 ARG 32 1HH ARG 32 -17.976 9.535 16.489 229 H LEU 33 H LEU 33 -21.992 2.645 14.099 230 HA LEU 33 HA LEU 33 -19.131 3.061 14.318 231 1HB LEU 33 1HB LEU 33 -21.058 1.655 15.776 232 2HB LEU 33 2HB LEU 33 -20.106 0.414 14.986 233 HG LEU 33 HG LEU 33 -18.858 2.651 16.596 234 1HD1 LEU 33 1HD1 LEU 33 -18.829 0.096 17.942 235 2HD1 LEU 33 2HD1 LEU 33 -19.394 1.683 18.519 236 3HD1 LEU 33 3HD1 LEU 33 -20.500 0.618 17.618 237 1HD2 LEU 33 1HD2 LEU 33 -17.034 1.835 15.582 238 2HD2 LEU 33 2HD2 LEU 33 -17.190 0.490 16.738 239 3HD2 LEU 33 3HD2 LEU 33 -17.852 0.331 15.093 240 H ALA 34 H ALA 34 -21.422 1.961 12.014 241 HA ALA 34 HA ALA 34 -19.695 -0.021 10.838 242 1HB ALA 34 1HB ALA 34 -21.998 1.098 9.321 243 2HB ALA 34 2HB ALA 34 -21.550 -0.595 9.640 244 3HB ALA 34 3HB ALA 34 -22.392 0.353 10.889 245 H HIS 35 H HIS 35 -19.360 3.213 11.143 246 HA HIS 35 HA HIS 35 -18.770 3.757 8.361 247 1HB HIS 35 1HB HIS 35 -19.795 5.297 10.375 248 2HB HIS 35 2HB HIS 35 -18.109 5.773 10.419 249 HD1 HIS 35 HD1 HIS 35 -21.078 6.949 9.026 250 HD2 HIS 35 HD2 HIS 35 -17.295 6.188 7.382 251 HE1 HIS 35 HE1 HIS 35 -20.937 8.332 6.887 252 H SER 36 H SER 36 -17.255 2.395 11.102 253 HA SER 36 HA SER 36 -14.656 3.413 10.406 254 1HB SER 36 1HB SER 36 -15.791 2.635 12.795 255 2HB SER 36 2HB SER 36 -14.878 1.198 12.383 256 HG SER 36 HG SER 36 -13.566 2.649 13.607 257 H ARG 37 H ARG 37 -16.771 0.743 9.681 258 HA ARG 37 HA ARG 37 -14.591 -0.991 8.996 259 1HB ARG 37 1HB ARG 37 -17.161 -1.470 9.875 260 2HB ARG 37 2HB ARG 37 -17.378 -1.688 8.150 261 1HG ARG 37 1HG ARG 37 -16.731 -3.845 8.736 262 2HG ARG 37 2HG ARG 37 -15.162 -3.161 8.359 263 1HD ARG 37 1HD ARG 37 -14.827 -2.621 10.792 264 2HD ARG 37 2HD ARG 37 -16.383 -3.339 11.158 265 HE ARG 37 HE ARG 37 -15.445 -5.476 10.905 266 1HH1 ARG 37 2HH2 ARG 37 -13.232 -3.070 9.538 267 2HH1 ARG 37 1HH2 ARG 37 -11.943 -4.203 9.309 268 1HH2 ARG 37 1HH ARG 37 -12.267 -6.492 9.941 269 H ALA 38 H ALA 38 -15.511 1.729 7.619 270 HA ALA 38 HA ALA 38 -16.079 0.766 4.944 271 1HB ALA 38 1HB ALA 38 -16.395 3.124 4.434 272 2HB ALA 38 2HB ALA 38 -17.246 2.743 5.950 273 3HB ALA 38 3HB ALA 38 -15.684 3.595 5.997 274 H ALA 39 H ALA 39 -13.618 2.929 6.532 275 HA ALA 39 HA ALA 39 -11.831 2.420 4.302 276 1HB ALA 39 1HB ALA 39 -12.158 4.719 5.158 277 2HB ALA 39 2HB ALA 39 -11.570 4.204 6.757 278 3HB ALA 39 3HB ALA 39 -10.472 4.184 5.356 279 H ALA 40 H ALA 40 -9.341 2.342 5.300 280 HA ALA 40 HA ALA 40 -9.109 -0.270 6.257 281 1HB ALA 40 1HB ALA 40 -7.189 0.342 5.189 282 2HB ALA 40 2HB ALA 40 -7.344 2.050 5.667 283 3HB ALA 40 3HB ALA 40 -6.691 0.858 6.818 284 H ALA 41 H ALA 41 -8.558 2.916 7.923 285 HA ALA 41 HA ALA 41 -8.598 3.477 10.062 286 1HB ALA 41 1HB ALA 41 -10.945 2.740 9.879 287 2HB ALA 41 2HB ALA 41 -10.463 1.080 10.305 288 3HB ALA 41 3HB ALA 41 -10.292 2.391 11.498 289 H ALA 42 H ALA 42 -6.245 2.518 9.617 290 HA ALA 42 HA ALA 42 -5.811 0.430 11.643 291 1HB ALA 42 1HB ALA 42 -4.845 0.786 8.874 292 2HB ALA 42 2HB ALA 42 -3.556 0.437 10.053 293 3HB ALA 42 3HB ALA 42 -4.928 -0.683 9.877 294 H ALA 43 H ALA 43 -3.970 3.047 9.906 295 HA ALA 43 HA ALA 43 -2.124 3.521 11.853 296 1HB ALA 43 1HB ALA 43 -2.274 5.951 10.844 297 2HB ALA 43 2HB ALA 43 -1.760 4.593 9.814 298 3HB ALA 43 3HB ALA 43 -3.430 5.201 9.717 299 H VAL 44 H VAL 44 -5.567 4.203 11.868 300 HA VAL 44 HA VAL 44 -5.259 6.043 14.108 301 HB VAL 44 HB VAL 44 -7.231 5.520 12.016 302 1HG1 VAL 44 1HG1 VAL 44 -9.196 6.172 13.404 303 2HG1 VAL 44 2HG1 VAL 44 -8.549 4.564 13.808 304 3HG1 VAL 44 3HG1 VAL 44 -8.198 5.955 14.861 305 1HG2 VAL 44 1HG2 VAL 44 -5.892 7.634 12.447 306 2HG2 VAL 44 2HG2 VAL 44 -7.642 7.856 12.207 307 3HG2 VAL 44 3HG2 VAL 44 -6.954 7.918 13.847 308 H ALA 45 H ALA 45 -6.215 2.729 13.255 309 HA ALA 45 HA ALA 45 -7.733 1.968 15.358 310 1HB ALA 45 1HB ALA 45 -6.892 0.621 13.357 311 2HB ALA 45 2HB ALA 45 -5.403 0.337 14.291 312 3HB ALA 45 3HB ALA 45 -6.965 -0.252 14.907 313 H ALA 46 H ALA 46 -4.098 2.010 15.276 314 HA ALA 46 HA ALA 46 -3.784 1.261 17.943 315 1HB ALA 46 1HB ALA 46 -1.514 1.714 17.577 316 2HB ALA 46 2HB ALA 46 -2.114 1.390 15.933 317 3HB ALA 46 3HB ALA 46 -1.859 3.067 16.473 318 H ALA 47 H ALA 47 -3.653 4.551 16.396 319 HA ALA 47 HA ALA 47 -3.409 5.929 18.813 320 1HB ALA 47 1HB ALA 47 -4.720 7.608 16.974 321 2HB ALA 47 2HB ALA 47 -2.964 7.462 17.227 322 3HB ALA 47 3HB ALA 47 -3.767 6.484 15.975 323 H THR 48 H THR 48 -5.448 7.865 18.833 324 HA THR 48 HA THR 48 -7.497 8.258 19.603 325 HB THR 48 HB THR 48 -8.244 5.555 18.370 326 HG1 THR 48 HG1 THR 48 -7.987 8.310 17.388 327 1HG2 THR 48 1HG2 THR 48 -9.845 8.150 18.617 328 2HG2 THR 48 2HG2 THR 48 -10.437 6.569 18.052 329 3HG2 THR 48 3HG2 THR 48 -10.011 6.800 19.765 330 H ALA 49 H ALA 49 -7.413 4.655 19.976 331 HA ALA 49 HA ALA 49 -8.569 4.526 22.410 332 1HB ALA 49 1HB ALA 49 -8.049 2.347 22.163 333 2HB ALA 49 2HB ALA 49 -7.186 2.812 20.678 334 3HB ALA 49 3HB ALA 49 -6.303 2.688 22.218 335 H ALA 50 H ALA 50 -7.585 4.073 24.609 336 HA ALA 50 HA ALA 50 -5.687 6.177 25.170 337 1HB ALA 50 1HB ALA 50 -6.623 6.155 27.242 338 2HB ALA 50 2HB ALA 50 -7.906 5.206 26.455 339 3HB ALA 50 3HB ALA 50 -6.603 4.378 27.342 340 H VAL 51 H VAL 51 -4.380 4.416 23.560 341 HA VAL 51 HA VAL 51 -2.660 3.007 25.476 342 HB VAL 51 HB VAL 51 -4.244 1.562 24.070 343 1HG1 VAL 51 1HG1 VAL 51 -4.087 1.471 21.826 344 2HG1 VAL 51 2HG1 VAL 51 -3.288 3.054 21.972 345 3HG1 VAL 51 3HG1 VAL 51 -2.310 1.572 21.848 346 1HG2 VAL 51 1HG2 VAL 51 -1.255 1.193 24.261 347 2HG2 VAL 51 2HG2 VAL 51 -2.547 0.437 25.224 348 3HG2 VAL 51 3HG2 VAL 51 -2.294 -0.055 23.532 349 H GLU 52 H GLU 52 -2.070 5.583 25.000 350 HA GLU 52 HA GLU 52 0.153 5.324 23.150 351 1HB GLU 52 1HB GLU 52 -1.942 6.655 22.245 352 2HB GLU 52 2HB GLU 52 -1.381 7.930 23.309 353 1HG GLU 52 1HG GLU 52 0.294 8.493 21.881 354 2HG GLU 52 2HG GLU 52 0.872 6.840 21.808 355 HE2 GLU 52 HE2 GLU 52 -1.067 9.080 19.796 356 H GLY 53 H GLY 53 1.705 7.361 23.505 357 1HA GLY 53 1HA GLY 53 1.645 8.303 26.271 358 2HA GLY 53 2HA GLY 53 2.988 7.279 25.806 359 H THR 54 H THR 54 1.151 10.171 24.584 360 HA THR 54 HA THR 54 3.352 11.100 23.040 361 HB THR 54 HB THR 54 0.714 12.319 23.997 362 HG1 THR 54 HG1 THR 54 0.914 10.452 22.410 363 1HG2 THR 54 1HG2 THR 54 1.089 13.954 22.112 364 2HG2 THR 54 2HG2 THR 54 2.256 14.180 23.437 365 3HG2 THR 54 3HG2 THR 54 2.751 13.340 21.948 366 H GLY 55 H GLY 55 4.489 13.168 23.353 367 1HA GLY 55 1HA GLY 55 5.124 14.906 24.872 368 2HA GLY 55 2HA GLY 55 4.843 13.814 26.214 369 H GLY 56 H GLY 56 6.266 11.828 26.380 370 1HA GLY 56 1HA GLY 56 8.988 12.517 25.477 371 2HA GLY 56 2HA GLY 56 8.572 11.574 26.895 372 H SER 57 H SER 57 7.809 11.502 23.332 373 HA SER 57 HA SER 57 8.351 8.639 23.475 374 1HB SER 57 1HB SER 57 6.866 8.530 21.390 375 2HB SER 57 2HB SER 57 6.052 8.899 22.897 376 HG SER 57 HG SER 57 6.030 10.342 20.636 377 H GLY 58 H GLY 58 10.534 8.559 22.879 378 1HA GLY 58 1HA GLY 58 11.399 8.482 20.359 379 2HA GLY 58 2HA GLY 58 11.483 10.204 20.677 380 H GLY 59 H GLY 59 13.256 11.027 21.746 381 1HA GLY 59 1HA GLY 59 14.722 10.553 23.729 382 2HA GLY 59 2HA GLY 59 15.103 9.043 22.926 383 H GLY 60 H GLY 60 16.831 8.996 21.538 384 1HA GLY 60 1HA GLY 60 18.368 9.721 20.041 385 2HA GLY 60 2HA GLY 60 17.521 11.249 19.907 386 HA PRO 61 HA PRO 61 20.687 11.452 23.466 387 1HB PRO 61 1HB PRO 61 22.802 9.726 23.325 388 2HB PRO 61 2HB PRO 61 21.400 9.444 24.339 389 1HG PRO 61 1HG PRO 61 22.125 8.156 21.778 390 2HG PRO 61 2HG PRO 61 20.991 7.612 22.999 391 1HD PRO 61 1HD PRO 61 20.351 8.839 20.487 392 2HD PRO 61 2HD PRO 61 19.225 8.401 21.756 393 H HIS 62 H HIS 62 22.677 12.665 23.666 394 HA HIS 62 HA HIS 62 23.359 13.640 21.022 395 1HB HIS 62 1HB HIS 62 23.992 15.611 22.026 396 2HB HIS 62 2HB HIS 62 22.697 15.078 23.078 397 HD1 HIS 62 HD1 HIS 62 25.692 16.715 23.483 398 HD2 HIS 62 HD2 HIS 62 24.223 13.173 25.183 399 HE1 HIS 62 HE1 HIS 62 27.010 16.356 25.638 400 H HIS 63 H HIS 63 25.684 14.048 20.479 401 HA HIS 63 HA HIS 63 27.165 11.835 20.421 402 1HB HIS 63 1HB HIS 63 27.886 13.587 19.085 403 2HB HIS 63 2HB HIS 63 27.888 14.744 20.401 404 HD1 HIS 63 HD1 HIS 63 29.846 11.593 19.405 405 HD2 HIS 63 HD2 HIS 63 30.388 15.260 21.370 406 HE1 HIS 63 HE1 HIS 63 32.329 11.739 19.974 407 H HIS 64 H HIS 64 27.876 10.463 21.968 408 HA HIS 64 HA HIS 64 28.432 11.595 24.592 409 1HB HIS 64 1HB HIS 64 28.565 9.010 25.093 410 2HB HIS 64 2HB HIS 64 27.029 9.847 24.981 411 HD1 HIS 64 HD1 HIS 64 25.920 9.731 22.405 412 HD2 HIS 64 HD2 HIS 64 28.709 6.795 23.500 413 HE1 HIS 64 HE1 HIS 64 25.582 7.786 20.788 414 H HIS 65 H HIS 65 29.854 9.093 22.360 415 HA HIS 65 HA HIS 65 32.268 10.101 21.963 416 1HB HIS 65 1HB HIS 65 33.638 8.925 23.846 417 2HB HIS 65 2HB HIS 65 32.965 10.522 24.106 418 HD1 HIS 65 HD1 HIS 65 30.669 7.545 24.291 419 HD2 HIS 65 HD2 HIS 65 32.798 10.050 26.896 420 HE1 HIS 65 HE1 HIS 65 29.779 7.062 26.633 421 H GLN 66 H GLN 66 33.669 8.581 20.929 422 HA GLN 66 HA GLN 66 32.311 6.085 20.428 423 1HB GLN 66 1HB GLN 66 33.282 7.713 18.627 424 2HB GLN 66 2HB GLN 66 34.843 7.041 19.053 425 1HG GLN 66 1HG GLN 66 34.385 4.994 18.091 426 2HG GLN 66 2HG GLN 66 32.705 5.014 18.589 427 1HE2 GLN 66 1HE2 GLN 66 31.383 4.982 16.953 428 2HE2 GLN 66 2HE2 GLN 66 31.553 5.806 15.439 429 H THR 67 H THR 67 34.073 4.183 19.918 430 HA THR 67 HA THR 67 35.097 3.455 22.419 431 HB THR 67 HB THR 67 36.054 2.318 19.766 432 HG1 THR 67 HG1 THR 67 33.455 2.161 21.127 433 1HG2 THR 67 1HG2 THR 67 35.436 0.169 21.006 434 2HG2 THR 67 2HG2 THR 67 36.773 1.077 21.751 435 3HG2 THR 67 3HG2 THR 67 35.139 1.166 22.451 436 H ARG 68 H ARG 68 37.483 2.711 22.690 437 HA ARG 68 HA ARG 68 38.968 5.035 22.774 438 1HB ARG 68 1HB ARG 68 40.834 3.556 23.505 439 2HB ARG 68 2HB ARG 68 39.337 3.114 24.301 440 1HG ARG 68 1HG ARG 68 39.004 1.374 22.418 441 2HG ARG 68 2HG ARG 68 40.657 1.707 21.941 442 1HD ARG 68 1HD ARG 68 39.882 0.869 24.774 443 2HD ARG 68 2HD ARG 68 40.356 -0.277 23.535 444 HE ARG 68 HE ARG 68 42.388 1.667 23.566 445 1HH1 ARG 68 2HH2 ARG 68 41.016 -0.640 25.879 446 2HH1 ARG 68 1HH2 ARG 68 42.493 -0.819 26.766 447 1HH2 ARG 68 1HH ARG 68 44.432 0.409 26.077 448 H GLY 69 H GLY 69 40.907 5.674 21.584 449 1HA GLY 69 1HA GLY 69 42.208 4.365 19.592 450 2HA GLY 69 2HA GLY 69 40.785 4.998 18.788 451 H ALA 70 H ALA 70 43.980 5.679 19.709 452 HA ALA 70 HA ALA 70 43.512 8.536 19.231 453 1HB ALA 70 1HB ALA 70 45.772 7.760 21.012 454 2HB ALA 70 2HB ALA 70 44.683 9.166 21.090 455 3HB ALA 70 3HB ALA 70 44.137 7.584 21.695 456 H TYR 71 H TYR 71 45.416 9.638 18.270 457 HA TYR 71 HA TYR 71 47.446 7.876 17.178 458 1HB TYR 71 1HB TYR 71 45.196 8.152 15.726 459 2HB TYR 71 2HB TYR 71 45.810 9.761 15.403 460 HD1 TYR 71 HD1 TYR 71 47.436 10.126 13.724 461 HD2 TYR 71 HD2 TYR 71 46.652 6.143 15.074 462 HE1 TYR 71 HE1 TYR 71 48.854 9.197 11.829 463 HE2 TYR 71 HE2 TYR 71 48.072 5.227 13.175 464 HH TYR 71 HH TYR 71 49.861 5.951 11.758 465 H SER 72 H SER 72 49.224 8.944 17.938 466 HA SER 72 HA SER 72 49.714 11.522 16.887 467 1HB SER 72 1HB SER 72 50.150 12.568 19.177 468 2HB SER 72 2HB SER 72 48.465 12.363 18.744 469 HG SER 72 HG SER 72 48.897 11.656 20.929 470 H SER 73 H SER 73 51.962 11.872 16.745 471 HA SER 73 HA SER 73 53.617 9.746 16.912 472 1HB SER 73 1HB SER 73 55.486 11.525 16.979 473 2HB SER 73 2HB SER 73 54.350 11.612 15.648 474 HG SER 73 HG SER 73 54.521 13.705 16.442 475 H HIS 74 H HIS 74 53.963 8.503 18.731 476 HA HIS 74 HA HIS 74 55.336 9.658 20.912 477 1HB HIS 74 1HB HIS 74 52.822 10.237 21.267 478 2HB HIS 74 2HB HIS 74 52.645 8.543 21.680 479 HD1 HIS 74 HD1 HIS 74 52.174 8.911 24.174 480 HD2 HIS 74 HD2 HIS 74 55.787 10.612 22.891 481 HE1 HIS 74 HE1 HIS 74 53.419 9.620 26.285 482 H ASP 75 H ASP 75 56.799 8.015 20.074 483 HA ASP 75 HA ASP 75 56.122 5.386 19.765 484 1HB ASP 75 1HB ASP 75 58.488 4.938 19.814 485 2HB ASP 75 2HB ASP 75 58.299 6.538 19.124 486 HD2 ASP 75 HD2 ASP 75 59.640 8.219 21.759 Start of MODEL 14 1 H MET 1 H MET 1 -30.600 -22.624 -26.431 2 HA MET 1 HA MET 1 -31.498 -19.945 -26.511 3 1HB MET 1 1HB MET 1 -32.368 -22.418 -25.448 4 2HB MET 1 2HB MET 1 -32.015 -21.468 -24.018 5 1HG MET 1 1HG MET 1 -33.570 -19.738 -24.646 6 2HG MET 1 2HG MET 1 -33.684 -20.323 -26.294 7 1HE MET 1 1HE MET 1 -37.218 -21.263 -25.370 8 2HE MET 1 2HE MET 1 -36.190 -19.834 -25.634 9 3HE MET 1 3HE MET 1 -36.146 -21.188 -26.789 10 H GLU 2 H GLU 2 -29.586 -18.644 -26.196 11 HA GLU 2 HA GLU 2 -29.040 -18.233 -23.441 12 1HB GLU 2 1HB GLU 2 -27.388 -20.092 -24.610 13 2HB GLU 2 2HB GLU 2 -26.493 -18.622 -24.939 14 1HG GLU 2 1HG GLU 2 -25.934 -18.320 -22.740 15 2HG GLU 2 2HG GLU 2 -27.544 -18.718 -22.176 16 HE2 GLU 2 HE2 GLU 2 -24.542 -19.720 -22.061 17 H VAL 3 H VAL 3 -29.392 -16.050 -23.417 18 HA VAL 3 HA VAL 3 -28.041 -14.491 -25.510 19 HB VAL 3 HB VAL 3 -30.703 -13.899 -24.204 20 1HG1 VAL 3 1HG1 VAL 3 -29.516 -11.877 -24.853 21 2HG1 VAL 3 2HG1 VAL 3 -29.221 -12.538 -26.479 22 3HG1 VAL 3 3HG1 VAL 3 -30.881 -12.158 -25.960 23 1HG2 VAL 3 1HG2 VAL 3 -31.814 -14.692 -26.093 24 2HG2 VAL 3 2HG2 VAL 3 -30.349 -14.643 -27.103 25 3HG2 VAL 3 3HG2 VAL 3 -30.530 -15.903 -25.859 26 H ALA 4 H ALA 4 -27.458 -12.252 -24.804 27 HA ALA 4 HA ALA 4 -25.884 -12.195 -22.627 28 1HB ALA 4 1HB ALA 4 -27.210 -9.620 -22.993 29 2HB ALA 4 2HB ALA 4 -25.535 -10.096 -23.362 30 3HB ALA 4 3HB ALA 4 -26.825 -10.383 -24.554 31 H MET 5 H MET 5 -26.217 -12.521 -20.490 32 HA MET 5 HA MET 5 -28.896 -12.315 -19.502 33 1HB MET 5 1HB MET 5 -26.207 -13.275 -18.443 34 2HB MET 5 2HB MET 5 -27.521 -13.018 -17.313 35 1HG MET 5 1HG MET 5 -28.876 -14.472 -19.159 36 2HG MET 5 2HG MET 5 -27.266 -15.077 -19.495 37 1HE MET 5 1HE MET 5 -29.170 -17.356 -18.438 38 2HE MET 5 2HE MET 5 -29.795 -17.100 -16.791 39 3HE MET 5 3HE MET 5 -30.197 -15.946 -18.085 40 H VAL 6 H VAL 6 -29.734 -10.457 -18.666 41 HA VAL 6 HA VAL 6 -27.825 -8.466 -17.679 42 HB VAL 6 HB VAL 6 -29.526 -8.072 -19.599 43 1HG1 VAL 6 1HG1 VAL 6 -31.424 -9.011 -18.127 44 2HG1 VAL 6 2HG1 VAL 6 -31.388 -7.431 -17.308 45 3HG1 VAL 6 3HG1 VAL 6 -31.742 -7.522 -19.050 46 1HG2 VAL 6 1HG2 VAL 6 -29.937 -5.842 -17.762 47 2HG2 VAL 6 2HG2 VAL 6 -28.252 -6.417 -17.754 48 3HG2 VAL 6 3HG2 VAL 6 -29.014 -5.916 -19.282 49 H SER 7 H SER 7 -29.553 -6.945 -16.078 50 HA SER 7 HA SER 7 -30.640 -8.823 -14.173 51 1HB SER 7 1HB SER 7 -28.148 -7.292 -13.797 52 2HB SER 7 2HB SER 7 -29.314 -6.987 -12.525 53 HG SER 7 HG SER 7 -27.782 -9.241 -12.996 54 H ALA 8 H ALA 8 -32.494 -8.001 -13.178 55 HA ALA 8 HA ALA 8 -33.380 -5.421 -14.114 56 1HB ALA 8 1HB ALA 8 -35.431 -6.321 -13.830 57 2HB ALA 8 2HB ALA 8 -34.587 -7.861 -13.537 58 3HB ALA 8 3HB ALA 8 -35.064 -6.832 -12.165 59 H GLU 9 H GLU 9 -32.500 -3.672 -13.089 60 HA GLU 9 HA GLU 9 -33.087 -3.371 -10.341 61 1HB GLU 9 1HB GLU 9 -30.826 -4.720 -10.526 62 2HB GLU 9 2HB GLU 9 -30.132 -3.174 -10.971 63 1HG GLU 9 1HG GLU 9 -31.296 -2.233 -8.836 64 2HG GLU 9 2HG GLU 9 -31.540 -3.905 -8.373 65 HE2 GLU 9 HE2 GLU 9 -28.298 -4.256 -7.300 66 H SER 10 H SER 10 -32.716 -1.125 -9.612 67 HA SER 10 HA SER 10 -32.736 1.027 -9.889 68 1HB SER 10 1HB SER 10 -30.544 0.143 -11.631 69 2HB SER 10 2HB SER 10 -31.253 1.639 -12.208 70 HG SER 10 HG SER 10 -29.440 1.643 -10.465 71 H SER 11 H SER 11 -33.411 2.887 -11.481 72 HA SER 11 HA SER 11 -34.854 3.709 -12.877 73 1HB SER 11 1HB SER 11 -34.107 1.200 -14.399 74 2HB SER 11 2HB SER 11 -35.360 2.255 -15.023 75 HG SER 11 HG SER 11 -33.439 3.941 -14.418 76 H GLY 12 H GLY 12 -36.711 3.760 -11.562 77 1HA GLY 12 1HA GLY 12 -39.062 2.888 -12.103 78 2HA GLY 12 2HA GLY 12 -38.413 1.356 -11.552 79 H CYS 13 H CYS 13 -38.093 0.959 -9.332 80 HA CYS 13 HA CYS 13 -37.952 2.953 -7.408 81 1HB CYS 13 1HB CYS 13 -40.488 2.997 -8.309 82 2HB CYS 13 2HB CYS 13 -40.653 1.719 -7.121 83 HG CYS 13 HG CYS 13 -39.032 4.534 -6.525 84 H ASN 14 H ASN 14 -36.243 1.155 -7.286 85 HA ASN 14 HA ASN 14 -37.319 -1.257 -6.095 86 1HB ASN 14 1HB ASN 14 -34.995 -0.600 -7.751 87 2HB ASN 14 2HB ASN 14 -34.466 -1.402 -6.286 88 1HD2 ASN 14 1HD2 ASN 14 -34.569 -3.521 -6.171 89 2HD2 ASN 14 2HD2 ASN 14 -35.440 -4.578 -7.232 90 H SER 15 H SER 15 -37.111 1.502 -4.784 91 HA SER 15 HA SER 15 -35.694 0.584 -2.449 92 1HB SER 15 1HB SER 15 -34.635 2.603 -4.223 93 2HB SER 15 2HB SER 15 -35.078 3.379 -2.715 94 HG SER 15 HG SER 15 -33.552 0.931 -2.748 95 H HIS 16 H HIS 16 -37.855 0.374 -1.562 96 HA HIS 16 HA HIS 16 -38.798 2.790 -0.414 97 1HB HIS 16 1HB HIS 16 -39.804 2.967 -2.666 98 2HB HIS 16 2HB HIS 16 -40.589 1.416 -2.438 99 HD1 HIS 16 HD1 HIS 16 -42.991 1.699 -1.861 100 HD2 HIS 16 HD2 HIS 16 -40.624 4.755 -0.231 101 HE1 HIS 16 HE1 HIS 16 -44.583 3.233 -0.588 102 H MET 17 H MET 17 -37.788 0.904 1.050 103 HA MET 17 HA MET 17 -38.987 -1.403 1.582 104 1HB MET 17 1HB MET 17 -38.331 -0.910 4.040 105 2HB MET 17 2HB MET 17 -37.051 -0.703 2.861 106 1HG MET 17 1HG MET 17 -37.524 1.758 2.782 107 2HG MET 17 2HG MET 17 -38.800 1.550 3.964 108 1HE MET 17 1HE MET 17 -35.675 3.406 4.598 109 2HE MET 17 2HE MET 17 -34.468 2.104 4.468 110 3HE MET 17 3HE MET 17 -35.605 2.400 3.131 111 HA PRO 18 HA PRO 18 -42.970 -0.639 3.123 112 1HB PRO 18 1HB PRO 18 -43.409 -2.832 4.693 113 2HB PRO 18 2HB PRO 18 -43.557 -2.858 2.947 114 1HG PRO 18 1HG PRO 18 -41.397 -3.955 4.640 115 2HG PRO 18 2HG PRO 18 -41.781 -4.329 2.971 116 1HD PRO 18 1HD PRO 18 -39.640 -2.666 3.908 117 2HD PRO 18 2HD PRO 18 -40.096 -2.947 2.239 118 H TYR 19 H TYR 19 -44.229 -1.259 5.520 119 HA TYR 19 HA TYR 19 -43.379 0.948 7.041 120 1HB TYR 19 1HB TYR 19 -44.983 -1.512 7.943 121 2HB TYR 19 2HB TYR 19 -45.192 0.135 8.505 122 HD1 TYR 19 HD1 TYR 19 -46.264 -2.342 6.144 123 HD2 TYR 19 HD2 TYR 19 -46.072 1.879 6.820 124 HE1 TYR 19 HE1 TYR 19 -48.086 -1.974 4.410 125 HE2 TYR 19 HE2 TYR 19 -47.895 2.232 5.083 126 HH TYR 19 HH TYR 19 -48.621 0.479 2.855 127 H GLY 20 H GLY 20 -43.128 0.552 9.597 128 1HA GLY 20 1HA GLY 20 -41.989 -0.425 11.313 129 2HA GLY 20 2HA GLY 20 -41.511 -1.746 10.266 130 H TYR 21 H TYR 21 -40.834 0.950 8.443 131 HA TYR 21 HA TYR 21 -38.033 0.723 8.954 132 1HB TYR 21 1HB TYR 21 -37.959 2.177 6.989 133 2HB TYR 21 2HB TYR 21 -39.351 1.143 6.738 134 HD1 TYR 21 HD1 TYR 21 -38.327 4.537 7.872 135 HD2 TYR 21 HD2 TYR 21 -41.533 2.054 6.510 136 HE1 TYR 21 HE1 TYR 21 -39.810 6.585 7.609 137 HE2 TYR 21 HE2 TYR 21 -43.006 4.111 6.251 138 HH TYR 21 HH TYR 21 -41.889 7.114 6.063 139 H ALA 22 H ALA 22 -40.535 2.438 10.489 140 HA ALA 22 HA ALA 22 -39.131 4.884 10.925 141 1HB ALA 22 1HB ALA 22 -41.093 4.573 12.907 142 2HB ALA 22 2HB ALA 22 -41.280 5.408 11.346 143 3HB ALA 22 3HB ALA 22 -41.735 3.695 11.499 144 H ALA 23 H ALA 23 -39.234 1.663 12.372 145 HA ALA 23 HA ALA 23 -37.933 2.606 14.790 146 1HB ALA 23 1HB ALA 23 -39.015 -0.050 13.807 147 2HB ALA 23 2HB ALA 23 -38.031 0.077 15.284 148 3HB ALA 23 3HB ALA 23 -39.582 0.944 15.170 149 H GLN 24 H GLN 24 -36.814 2.607 11.851 150 HA GLN 24 HA GLN 24 -34.630 0.779 12.130 151 1HB GLN 24 1HB GLN 24 -35.919 1.606 9.948 152 2HB GLN 24 2HB GLN 24 -34.755 2.915 10.000 153 1HG GLN 24 1HG GLN 24 -33.842 1.133 8.607 154 2HG GLN 24 2HG GLN 24 -32.889 1.226 10.075 155 1HE2 GLN 24 1HE2 GLN 24 -35.411 -0.513 8.369 156 2HE2 GLN 24 2HE2 GLN 24 -35.295 -2.014 9.226 157 H ALA 25 H ALA 25 -35.357 3.694 13.540 158 HA ALA 25 HA ALA 25 -33.074 5.242 13.124 159 1HB ALA 25 1HB ALA 25 -33.786 6.358 15.218 160 2HB ALA 25 2HB ALA 25 -35.163 6.071 14.127 161 3HB ALA 25 3HB ALA 25 -34.914 5.019 15.542 162 H ARG 26 H ARG 26 -33.581 2.229 14.812 163 HA ARG 26 HA ARG 26 -31.516 2.567 16.679 164 1HB ARG 26 1HB ARG 26 -33.542 0.712 16.261 165 2HB ARG 26 2HB ARG 26 -32.130 -0.213 15.791 166 1HG ARG 26 1HG ARG 26 -31.195 0.945 18.100 167 2HG ARG 26 2HG ARG 26 -32.902 0.839 18.482 168 1HD ARG 26 1HD ARG 26 -32.934 -1.552 18.195 169 2HD ARG 26 2HD ARG 26 -31.394 -1.557 17.359 170 HE ARG 26 HE ARG 26 -30.970 -0.433 19.945 171 1HH1 ARG 26 2HH2 ARG 26 -31.819 -3.552 18.495 172 2HH1 ARG 26 1HH2 ARG 26 -31.132 -4.480 19.786 173 1HH2 ARG 26 1HH ARG 26 -30.105 -3.345 21.630 174 H ALA 27 H ALA 27 -31.739 1.490 13.296 175 HA ALA 27 HA ALA 27 -29.227 0.183 13.214 176 1HB ALA 27 1HB ALA 27 -30.310 1.389 10.729 177 2HB ALA 27 2HB ALA 27 -29.851 -0.294 11.079 178 3HB ALA 27 3HB ALA 27 -31.436 0.324 11.603 179 H ARG 28 H ARG 28 -30.360 3.542 12.932 180 HA ARG 28 HA ARG 28 -28.159 4.556 11.621 181 1HB ARG 28 1HB ARG 28 -30.540 5.568 12.645 182 2HB ARG 28 2HB ARG 28 -29.361 6.319 13.702 183 1HG ARG 28 1HG ARG 28 -28.141 7.245 11.773 184 2HG ARG 28 2HG ARG 28 -29.177 6.381 10.654 185 1HD ARG 28 1HD ARG 28 -30.577 8.169 10.648 186 2HD ARG 28 2HD ARG 28 -30.963 7.827 12.323 187 HE ARG 28 HE ARG 28 -29.072 9.868 11.336 188 1HH1 ARG 28 2HH2 ARG 28 -30.271 8.068 14.142 189 2HH1 ARG 28 1HH2 ARG 28 -29.675 9.219 15.291 190 1HH2 ARG 28 1HH ARG 28 -28.511 11.162 14.510 191 H GLU 29 H GLU 29 -28.723 3.627 15.006 192 HA GLU 29 HA GLU 29 -26.425 5.029 15.944 193 1HB GLU 29 1HB GLU 29 -28.600 3.360 17.116 194 2HB GLU 29 2HB GLU 29 -27.069 3.285 17.966 195 1HG GLU 29 1HG GLU 29 -27.398 5.345 18.857 196 2HG GLU 29 2HG GLU 29 -27.607 6.049 17.266 197 HE2 GLU 29 HE2 GLU 29 -29.267 5.860 20.018 198 H ARG 30 H ARG 30 -27.184 1.885 14.570 199 HA ARG 30 HA ARG 30 -24.771 0.738 15.615 200 1HB ARG 30 1HB ARG 30 -27.212 -0.238 14.196 201 2HB ARG 30 2HB ARG 30 -25.741 -1.091 13.775 202 1HG ARG 30 1HG ARG 30 -26.363 -2.332 15.636 203 2HG ARG 30 2HG ARG 30 -25.377 -1.119 16.430 204 1HD ARG 30 1HD ARG 30 -28.267 -0.411 16.030 205 2HD ARG 30 2HD ARG 30 -27.939 -1.689 17.184 206 HE ARG 30 HE ARG 30 -27.268 1.145 17.482 207 1HH1 ARG 30 2HH2 ARG 30 -26.459 -2.135 18.550 208 2HH1 ARG 30 1HH2 ARG 30 -25.759 -1.609 20.045 209 1HH2 ARG 30 1HH ARG 30 -25.703 0.732 20.555 210 H GLU 31 H GLU 31 -26.056 2.271 12.691 211 HA GLU 31 HA GLU 31 -24.029 1.269 10.988 212 1HB GLU 31 1HB GLU 31 -26.200 3.361 10.761 213 2HB GLU 31 2HB GLU 31 -24.949 3.290 9.536 214 1HG GLU 31 1HG GLU 31 -25.565 0.643 9.648 215 2HG GLU 31 2HG GLU 31 -27.104 1.295 10.174 216 HE2 GLU 31 HE2 GLU 31 -25.831 0.260 7.497 217 H ARG 32 H ARG 32 -24.392 3.973 13.226 218 HA ARG 32 HA ARG 32 -22.584 5.714 12.122 219 1HB ARG 32 1HB ARG 32 -24.187 5.771 14.309 220 2HB ARG 32 2HB ARG 32 -22.677 5.408 15.122 221 1HG ARG 32 1HG ARG 32 -21.922 7.432 13.359 222 2HG ARG 32 2HG ARG 32 -23.549 7.914 13.798 223 1HD ARG 32 1HD ARG 32 -22.128 7.019 16.182 224 2HD ARG 32 2HD ARG 32 -21.166 8.222 15.347 225 HE ARG 32 HE ARG 32 -23.830 9.194 15.388 226 1HH1 ARG 32 2HH2 ARG 32 -21.274 8.434 17.722 227 2HH1 ARG 32 1HH2 ARG 32 -21.818 9.598 18.884 228 1HH2 ARG 32 1HH ARG 32 -23.743 10.937 18.391 229 H LEU 33 H LEU 33 -22.151 2.703 13.956 230 HA LEU 33 HA LEU 33 -19.326 3.238 14.355 231 1HB LEU 33 1HB LEU 33 -21.289 1.815 15.743 232 2HB LEU 33 2HB LEU 33 -20.251 0.581 15.056 233 HG LEU 33 HG LEU 33 -18.322 2.104 16.051 234 1HD1 LEU 33 1HD1 LEU 33 -19.549 2.738 18.431 235 2HD1 LEU 33 2HD1 LEU 33 -19.112 3.886 17.142 236 3HD1 LEU 33 3HD1 LEU 33 -20.763 3.225 17.223 237 1HD2 LEU 33 1HD2 LEU 33 -18.587 0.783 18.233 238 2HD2 LEU 33 2HD2 LEU 33 -20.044 0.087 17.484 239 3HD2 LEU 33 3HD2 LEU 33 -18.455 -0.135 16.714 240 H ALA 34 H ALA 34 -21.431 1.978 11.957 241 HA ALA 34 HA ALA 34 -19.566 0.024 10.958 242 1HB ALA 34 1HB ALA 34 -22.009 -0.298 10.793 243 2HB ALA 34 2HB ALA 34 -22.139 1.175 9.803 244 3HB ALA 34 3HB ALA 34 -21.259 -0.241 9.180 245 H HIS 35 H HIS 35 -19.364 3.276 11.167 246 HA HIS 35 HA HIS 35 -18.629 3.749 8.407 247 1HB HIS 35 1HB HIS 35 -19.937 5.452 9.507 248 2HB HIS 35 2HB HIS 35 -18.799 5.548 10.836 249 HD1 HIS 35 HD1 HIS 35 -19.493 6.901 7.467 250 HD2 HIS 35 HD2 HIS 35 -16.235 6.745 10.105 251 HE1 HIS 35 HE1 HIS 35 -17.817 8.638 6.637 252 H SER 36 H SER 36 -17.233 2.538 11.280 253 HA SER 36 HA SER 36 -14.634 3.626 10.699 254 1HB SER 36 1HB SER 36 -15.912 2.814 13.040 255 2HB SER 36 2HB SER 36 -14.813 1.484 12.732 256 HG SER 36 HG SER 36 -13.104 3.197 12.458 257 H ARG 37 H ARG 37 -16.609 0.863 9.943 258 HA ARG 37 HA ARG 37 -14.348 -0.832 9.475 259 1HB ARG 37 1HB ARG 37 -16.962 -1.348 10.165 260 2HB ARG 37 2HB ARG 37 -17.049 -1.608 8.434 261 1HG ARG 37 1HG ARG 37 -15.011 -3.141 8.651 262 2HG ARG 37 2HG ARG 37 -15.155 -2.989 10.391 263 1HD ARG 37 1HD ARG 37 -17.768 -3.636 9.610 264 2HD ARG 37 2HD ARG 37 -16.789 -4.582 8.506 265 HE ARG 37 HE ARG 37 -16.925 -4.888 11.440 266 1HH1 ARG 37 2HH2 ARG 37 -15.211 -5.745 8.459 267 2HH1 ARG 37 1HH2 ARG 37 -14.464 -7.150 9.146 268 1HH2 ARG 37 1HH ARG 37 -14.908 -7.716 11.432 269 H ALA 38 H ALA 38 -15.208 1.825 7.943 270 HA ALA 38 HA ALA 38 -15.900 1.094 5.338 271 1HB ALA 38 1HB ALA 38 -14.478 3.433 5.072 272 2HB ALA 38 2HB ALA 38 -16.186 3.335 5.562 273 3HB ALA 38 3HB ALA 38 -14.912 3.472 6.798 274 H ALA 39 H ALA 39 -12.649 2.098 6.639 275 HA ALA 39 HA ALA 39 -11.419 0.824 4.340 276 1HB ALA 39 1HB ALA 39 -9.335 1.817 5.618 277 2HB ALA 39 2HB ALA 39 -10.444 2.901 4.745 278 3HB ALA 39 3HB ALA 39 -10.571 2.734 6.512 279 H ALA 40 H ALA 40 -12.464 -1.279 5.346 280 HA ALA 40 HA ALA 40 -11.296 -2.352 7.666 281 1HB ALA 40 1HB ALA 40 -12.675 -3.623 5.268 282 2HB ALA 40 2HB ALA 40 -12.264 -4.490 6.767 283 3HB ALA 40 3HB ALA 40 -13.426 -3.143 6.809 284 H ALA 41 H ALA 41 -10.760 -3.218 4.169 285 HA ALA 41 HA ALA 41 -8.713 -4.915 4.391 286 1HB ALA 41 1HB ALA 41 -9.284 -2.684 2.432 287 2HB ALA 41 2HB ALA 41 -7.861 -3.734 2.223 288 3HB ALA 41 3HB ALA 41 -9.495 -4.440 2.228 289 H ALA 42 H ALA 42 -7.227 -4.721 6.058 290 HA ALA 42 HA ALA 42 -5.726 -2.206 6.168 291 1HB ALA 42 1HB ALA 42 -4.960 -3.695 8.351 292 2HB ALA 42 2HB ALA 42 -6.277 -2.497 8.350 293 3HB ALA 42 3HB ALA 42 -6.645 -4.224 8.126 294 H ALA 43 H ALA 43 -4.941 -5.667 6.925 295 HA ALA 43 HA ALA 43 -2.279 -5.464 6.241 296 1HB ALA 43 1HB ALA 43 -3.126 -7.300 7.558 297 2HB ALA 43 2HB ALA 43 -4.205 -7.818 6.240 298 3HB ALA 43 3HB ALA 43 -2.442 -7.982 6.063 299 H VAL 44 H VAL 44 -5.115 -5.490 4.220 300 HA VAL 44 HA VAL 44 -3.622 -6.394 1.900 301 HB VAL 44 HB VAL 44 -6.419 -6.122 2.711 302 1HG1 VAL 44 1HG1 VAL 44 -7.329 -5.677 0.489 303 2HG1 VAL 44 2HG1 VAL 44 -6.347 -4.301 1.045 304 3HG1 VAL 44 3HG1 VAL 44 -5.688 -5.437 -0.157 305 1HG2 VAL 44 1HG2 VAL 44 -4.964 -8.200 2.065 306 2HG2 VAL 44 2HG2 VAL 44 -6.674 -8.131 1.577 307 3HG2 VAL 44 3HG2 VAL 44 -5.396 -7.752 0.397 308 H ALA 45 H ALA 45 -4.798 -3.446 3.487 309 HA ALA 45 HA ALA 45 -4.906 -1.631 1.510 310 1HB ALA 45 1HB ALA 45 -4.123 0.002 3.190 311 2HB ALA 45 2HB ALA 45 -5.250 -1.171 3.911 312 3HB ALA 45 3HB ALA 45 -3.500 -1.328 4.195 313 H ALA 46 H ALA 46 -1.858 -2.708 3.174 314 HA ALA 46 HA ALA 46 -0.152 -1.206 1.557 315 1HB ALA 46 1HB ALA 46 1.456 -2.150 2.859 316 2HB ALA 46 2HB ALA 46 0.074 -2.753 3.804 317 3HB ALA 46 3HB ALA 46 0.847 -3.801 2.591 318 H ALA 47 H ALA 47 -1.168 -4.689 1.362 319 HA ALA 47 HA ALA 47 0.266 -5.287 -0.934 320 1HB ALA 47 1HB ALA 47 -2.299 -6.382 0.270 321 2HB ALA 47 2HB ALA 47 -1.512 -7.111 -1.150 322 3HB ALA 47 3HB ALA 47 -0.651 -7.041 0.407 323 H THR 48 H THR 48 -1.289 -6.147 -2.967 324 HA THR 48 HA THR 48 -2.018 -5.256 -4.909 325 HB THR 48 HB THR 48 -4.452 -4.621 -4.667 326 HG1 THR 48 HG1 THR 48 -5.059 -4.736 -2.248 327 1HG2 THR 48 1HG2 THR 48 -3.367 -7.091 -4.074 328 2HG2 THR 48 2HG2 THR 48 -4.184 -6.704 -2.540 329 3HG2 THR 48 3HG2 THR 48 -5.115 -6.752 -4.057 330 H ALA 49 H ALA 49 -0.059 -3.645 -4.447 331 HA ALA 49 HA ALA 49 -0.466 -1.052 -3.716 332 1HB ALA 49 1HB ALA 49 1.695 -0.990 -4.322 333 2HB ALA 49 2HB ALA 49 1.514 -2.610 -5.036 334 3HB ALA 49 3HB ALA 49 1.250 -1.163 -6.037 335 H ALA 50 H ALA 50 -1.540 0.704 -4.524 336 HA ALA 50 HA ALA 50 -3.159 0.256 -6.873 337 1HB ALA 50 1HB ALA 50 -4.073 2.522 -6.203 338 2HB ALA 50 2HB ALA 50 -4.223 1.259 -4.958 339 3HB ALA 50 3HB ALA 50 -2.947 2.494 -4.825 340 H VAL 51 H VAL 51 -0.579 0.105 -7.719 341 HA VAL 51 HA VAL 51 -0.328 2.601 -9.208 342 HB VAL 51 HB VAL 51 1.938 1.231 -7.745 343 1HG1 VAL 51 1HG1 VAL 51 2.081 2.625 -10.123 344 2HG1 VAL 51 2HG1 VAL 51 2.427 3.881 -8.911 345 3HG1 VAL 51 3HG1 VAL 51 3.415 2.402 -8.966 346 1HG2 VAL 51 1HG2 VAL 51 0.415 2.558 -6.284 347 2HG2 VAL 51 2HG2 VAL 51 2.066 3.219 -6.370 348 3HG2 VAL 51 3HG2 VAL 51 0.750 3.988 -7.290 349 H GLU 52 H GLU 52 -1.610 0.623 -10.380 350 HA GLU 52 HA GLU 52 0.465 -0.708 -11.941 351 1HB GLU 52 1HB GLU 52 -0.957 -2.210 -10.403 352 2HB GLU 52 2HB GLU 52 -2.316 -1.840 -11.446 353 1HG GLU 52 1HG GLU 52 0.097 -2.648 -12.957 354 2HG GLU 52 2HG GLU 52 -0.456 -3.889 -11.851 355 HE2 GLU 52 HE2 GLU 52 -2.024 -3.281 -15.251 356 H GLY 53 H GLY 53 0.100 -0.857 -14.236 357 1HA GLY 53 1HA GLY 53 -2.118 -0.303 -15.681 358 2HA GLY 53 2HA GLY 53 -1.524 1.294 -15.270 359 H THR 54 H THR 54 -0.566 -1.855 -16.753 360 HA THR 54 HA THR 54 1.642 -0.488 -18.111 361 HB THR 54 HB THR 54 2.030 -2.631 -16.808 362 HG1 THR 54 HG1 THR 54 3.257 -3.449 -18.622 363 1HG2 THR 54 1HG2 THR 54 0.988 -4.314 -18.992 364 2HG2 THR 54 2HG2 THR 54 0.840 -4.543 -17.233 365 3HG2 THR 54 3HG2 THR 54 -0.323 -3.508 -18.097 366 H GLY 55 H GLY 55 1.948 -0.685 -20.405 367 1HA GLY 55 1HA GLY 55 -0.165 -1.732 -22.038 368 2HA GLY 55 2HA GLY 55 -0.206 0.017 -21.933 369 H GLY 56 H GLY 56 0.246 -0.197 -24.339 370 1HA GLY 56 1HA GLY 56 2.416 0.773 -25.308 371 2HA GLY 56 2HA GLY 56 3.075 -0.799 -24.901 372 H SER 57 H SER 57 3.089 0.057 -27.562 373 HA SER 57 HA SER 57 1.318 -1.922 -28.685 374 1HB SER 57 1HB SER 57 0.726 0.842 -28.866 375 2HB SER 57 2HB SER 57 1.402 0.426 -30.428 376 HG SER 57 HG SER 57 -0.158 -1.347 -30.549 377 H GLY 58 H GLY 58 2.233 -2.959 -30.516 378 1HA GLY 58 1HA GLY 58 4.625 -1.800 -31.723 379 2HA GLY 58 2HA GLY 58 4.832 -3.304 -30.847 380 H GLY 59 H GLY 59 5.005 -2.604 -33.819 381 1HA GLY 59 1HA GLY 59 4.246 -4.925 -34.970 382 2HA GLY 59 2HA GLY 59 2.770 -3.982 -35.026 383 H GLY 60 H GLY 60 4.117 -4.803 -37.386 384 1HA GLY 60 1HA GLY 60 4.053 -3.078 -39.220 385 2HA GLY 60 2HA GLY 60 5.351 -2.293 -38.343 386 HA PRO 61 HA PRO 61 7.254 -5.295 -41.187 387 1HB PRO 61 1HB PRO 61 8.811 -3.553 -42.605 388 2HB PRO 61 2HB PRO 61 7.226 -4.075 -43.140 389 1HG PRO 61 1HG PRO 61 8.026 -1.479 -41.974 390 2HG PRO 61 2HG PRO 61 6.586 -1.873 -42.891 391 1HD PRO 61 1HD PRO 61 6.768 -1.516 -40.051 392 2HD PRO 61 2HD PRO 61 5.355 -2.023 -40.954 393 H HIS 62 H HIS 62 9.558 -5.962 -41.498 394 HA HIS 62 HA HIS 62 11.106 -4.860 -39.271 395 1HB HIS 62 1HB HIS 62 9.989 -7.170 -38.902 396 2HB HIS 62 2HB HIS 62 11.188 -7.778 -40.027 397 HD1 HIS 62 HD1 HIS 62 10.761 -6.576 -36.518 398 HD2 HIS 62 HD2 HIS 62 13.898 -7.674 -39.076 399 HE1 HIS 62 HE1 HIS 62 12.815 -6.888 -35.037 400 H HIS 63 H HIS 63 11.360 -7.062 -42.160 401 HA HIS 63 HA HIS 63 13.967 -6.879 -42.672 402 1HB HIS 63 1HB HIS 63 11.697 -7.688 -44.054 403 2HB HIS 63 2HB HIS 63 12.403 -6.487 -45.117 404 HD1 HIS 63 HD1 HIS 63 14.423 -8.870 -42.932 405 HD2 HIS 63 HD2 HIS 63 13.514 -8.214 -46.974 406 HE1 HIS 63 HE1 HIS 63 15.930 -10.438 -44.267 407 H HIS 64 H HIS 64 11.586 -4.577 -44.186 408 HA HIS 64 HA HIS 64 11.947 -2.593 -45.111 409 1HB HIS 64 1HB HIS 64 12.259 -2.502 -42.309 410 2HB HIS 64 2HB HIS 64 13.486 -1.430 -42.953 411 HD1 HIS 64 HD1 HIS 64 12.176 0.645 -42.022 412 HD2 HIS 64 HD2 HIS 64 10.092 -1.591 -44.895 413 HE1 HIS 64 HE1 HIS 64 10.197 2.082 -42.748 414 H HIS 65 H HIS 65 13.396 -3.538 -46.780 415 HA HIS 65 HA HIS 65 15.489 -2.044 -47.405 416 1HB HIS 65 1HB HIS 65 16.951 -2.369 -45.706 417 2HB HIS 65 2HB HIS 65 16.285 -3.931 -45.271 418 HD1 HIS 65 HD1 HIS 65 18.534 -2.394 -47.961 419 HD2 HIS 65 HD2 HIS 65 17.788 -6.077 -46.097 420 HE1 HIS 65 HE1 HIS 65 20.317 -4.004 -48.820 421 H GLN 66 H GLN 66 16.939 -3.079 -49.120 422 HA GLN 66 HA GLN 66 17.105 -4.214 -50.964 423 1HB GLN 66 1HB GLN 66 17.704 -6.093 -49.530 424 2HB GLN 66 2HB GLN 66 16.020 -6.473 -49.231 425 1HG GLN 66 1HG GLN 66 15.670 -7.119 -51.559 426 2HG GLN 66 2HG GLN 66 17.245 -6.509 -52.025 427 1HE2 GLN 66 1HE2 GLN 66 18.258 -8.276 -52.694 428 2HE2 GLN 66 2HE2 GLN 66 18.563 -9.699 -51.754 429 H THR 67 H THR 67 15.889 -5.266 -52.822 430 HA THR 67 HA THR 67 13.038 -5.427 -52.612 431 HB THR 67 HB THR 67 14.375 -3.059 -54.019 432 HG1 THR 67 HG1 THR 67 12.719 -2.059 -52.498 433 1HG2 THR 67 1HG2 THR 67 12.532 -3.818 -55.460 434 2HG2 THR 67 2HG2 THR 67 11.479 -4.057 -54.044 435 3HG2 THR 67 3HG2 THR 67 11.965 -2.413 -54.525 436 H ARG 68 H ARG 68 12.080 -5.745 -54.926 437 HA ARG 68 HA ARG 68 13.443 -7.916 -55.968 438 1HB ARG 68 1HB ARG 68 11.712 -7.692 -57.863 439 2HB ARG 68 2HB ARG 68 11.054 -7.827 -56.244 440 1HG ARG 68 1HG ARG 68 11.593 -5.024 -56.878 441 2HG ARG 68 2HG ARG 68 10.591 -5.741 -58.124 442 1HD ARG 68 1HD ARG 68 8.949 -6.496 -56.451 443 2HD ARG 68 2HD ARG 68 9.986 -5.975 -55.138 444 HE ARG 68 HE ARG 68 9.460 -3.768 -56.930 445 1HH1 ARG 68 2HH2 ARG 68 7.947 -5.689 -54.367 446 2HH1 ARG 68 1HH2 ARG 68 6.870 -4.422 -53.882 447 1HH2 ARG 68 1HH ARG 68 6.942 -2.318 -55.028 448 H GLY 69 H GLY 69 14.850 -8.143 -57.744 449 1HA GLY 69 1HA GLY 69 15.195 -5.980 -59.630 450 2HA GLY 69 2HA GLY 69 16.541 -6.194 -58.528 451 H ALA 70 H ALA 70 17.555 -8.406 -58.377 452 HA ALA 70 HA ALA 70 18.511 -10.162 -59.323 453 1HB ALA 70 1HB ALA 70 16.940 -11.713 -59.729 454 2HB ALA 70 2HB ALA 70 15.715 -10.425 -59.825 455 3HB ALA 70 3HB ALA 70 16.567 -10.954 -61.295 456 H TYR 71 H TYR 71 19.900 -8.306 -60.211 457 HA TYR 71 HA TYR 71 19.723 -8.331 -63.150 458 1HB TYR 71 1HB TYR 71 20.305 -6.273 -60.993 459 2HB TYR 71 2HB TYR 71 21.230 -6.123 -62.474 460 HD1 TYR 71 HD1 TYR 71 18.276 -5.150 -60.839 461 HD2 TYR 71 HD2 TYR 71 19.760 -6.212 -64.708 462 HE1 TYR 71 HE1 TYR 71 16.342 -3.912 -61.928 463 HE2 TYR 71 HE2 TYR 71 17.821 -4.970 -65.785 464 HH TYR 71 HH TYR 71 15.448 -3.246 -63.779 465 H SER 72 H SER 72 21.803 -8.237 -64.303 466 HA SER 72 HA SER 72 23.979 -9.233 -62.638 467 1HB SER 72 1HB SER 72 23.012 -10.254 -65.334 468 2HB SER 72 2HB SER 72 24.632 -10.586 -64.756 469 HG SER 72 HG SER 72 23.145 -12.298 -64.201 470 H SER 73 H SER 73 23.219 -8.055 -66.005 471 HA SER 73 HA SER 73 24.814 -5.794 -65.723 472 1HB SER 73 1HB SER 73 26.235 -8.220 -66.472 473 2HB SER 73 2HB SER 73 26.293 -7.074 -67.797 474 HG SER 73 HG SER 73 26.800 -5.534 -65.761 475 H HIS 74 H HIS 74 24.666 -4.426 -67.645 476 HA HIS 74 HA HIS 74 23.428 -3.583 -69.271 477 1HB HIS 74 1HB HIS 74 25.155 -5.384 -70.282 478 2HB HIS 74 2HB HIS 74 23.661 -6.082 -70.875 479 HD1 HIS 74 HD1 HIS 74 25.027 -2.485 -70.728 480 HD2 HIS 74 HD2 HIS 74 23.178 -5.155 -73.383 481 HE1 HIS 74 HE1 HIS 74 24.754 -1.228 -72.931 482 H ASP 75 H ASP 75 21.559 -3.881 -67.629 483 HA ASP 75 HA ASP 75 19.468 -4.306 -67.253 484 1HB ASP 75 1HB ASP 75 19.632 -3.963 -70.028 485 2HB ASP 75 2HB ASP 75 18.745 -5.467 -69.880 486 HD2 ASP 75 HD2 ASP 75 16.173 -4.805 -68.795 Start of MODEL 15 1 H MET 1 H MET 1 -34.114 -30.331 13.516 2 HA MET 1 HA MET 1 -32.811 -29.812 11.007 3 1HB MET 1 1HB MET 1 -34.720 -31.977 11.389 4 2HB MET 1 2HB MET 1 -35.475 -30.759 10.380 5 1HG MET 1 1HG MET 1 -34.356 -31.800 8.669 6 2HG MET 1 2HG MET 1 -32.981 -30.865 9.222 7 1HE MET 1 1HE MET 1 -33.021 -33.881 7.684 8 2HE MET 1 2HE MET 1 -31.680 -32.731 7.901 9 3HE MET 1 3HE MET 1 -31.502 -34.417 8.441 10 H GLU 2 H GLU 2 -32.994 -27.585 11.221 11 HA GLU 2 HA GLU 2 -34.872 -26.185 12.482 12 1HB GLU 2 1HB GLU 2 -32.778 -25.365 11.239 13 2HB GLU 2 2HB GLU 2 -33.755 -25.318 9.785 14 1HG GLU 2 1HG GLU 2 -34.771 -23.380 10.412 15 2HG GLU 2 2HG GLU 2 -35.142 -24.002 12.008 16 HE2 GLU 2 HE2 GLU 2 -32.645 -22.058 10.361 17 H VAL 3 H VAL 3 -36.835 -25.001 11.840 18 HA VAL 3 HA VAL 3 -38.487 -26.641 10.140 19 HB VAL 3 HB VAL 3 -39.080 -25.628 12.414 20 1HG1 VAL 3 1HG1 VAL 3 -39.490 -23.172 10.673 21 2HG1 VAL 3 2HG1 VAL 3 -40.064 -23.362 12.347 22 3HG1 VAL 3 3HG1 VAL 3 -38.318 -23.345 12.002 23 1HG2 VAL 3 1HG2 VAL 3 -41.221 -24.861 10.496 24 2HG2 VAL 3 2HG2 VAL 3 -40.607 -26.528 10.385 25 3HG2 VAL 3 3HG2 VAL 3 -41.279 -25.927 11.920 26 H ALA 4 H ALA 4 -40.200 -25.038 8.838 27 HA ALA 4 HA ALA 4 -38.491 -23.867 6.825 28 1HB ALA 4 1HB ALA 4 -41.513 -23.933 6.789 29 2HB ALA 4 2HB ALA 4 -40.371 -24.023 5.427 30 3HB ALA 4 3HB ALA 4 -40.571 -25.417 6.515 31 H MET 5 H MET 5 -38.563 -21.671 6.143 32 HA MET 5 HA MET 5 -39.709 -19.932 8.184 33 1HB MET 5 1HB MET 5 -37.091 -20.113 7.400 34 2HB MET 5 2HB MET 5 -37.644 -18.948 6.213 35 1HG MET 5 1HG MET 5 -38.342 -17.383 7.924 36 2HG MET 5 2HG MET 5 -38.204 -18.589 9.188 37 1HE MET 5 1HE MET 5 -34.994 -15.866 7.584 38 2HE MET 5 2HE MET 5 -36.224 -16.537 6.486 39 3HE MET 5 3HE MET 5 -36.722 -15.579 7.900 40 H VAL 6 H VAL 6 -41.812 -19.721 7.255 41 HA VAL 6 HA VAL 6 -41.804 -18.184 4.756 42 HB VAL 6 HB VAL 6 -43.925 -20.194 5.492 43 1HG1 VAL 6 1HG1 VAL 6 -44.368 -20.082 3.026 44 2HG1 VAL 6 2HG1 VAL 6 -44.650 -18.551 3.890 45 3HG1 VAL 6 3HG1 VAL 6 -43.172 -18.768 2.921 46 1HG2 VAL 6 1HG2 VAL 6 -41.351 -20.627 3.964 47 2HG2 VAL 6 2HG2 VAL 6 -42.027 -21.580 5.307 48 3HG2 VAL 6 3HG2 VAL 6 -42.790 -21.641 3.700 49 H SER 7 H SER 7 -43.856 -16.855 4.521 50 HA SER 7 HA SER 7 -44.621 -15.955 7.185 51 1HB SER 7 1HB SER 7 -44.938 -13.744 6.254 52 2HB SER 7 2HB SER 7 -43.365 -14.319 5.735 53 HG SER 7 HG SER 7 -44.350 -13.467 3.902 54 H ALA 8 H ALA 8 -46.693 -16.477 7.771 55 HA ALA 8 HA ALA 8 -48.526 -17.370 5.733 56 1HB ALA 8 1HB ALA 8 -49.500 -17.092 8.503 57 2HB ALA 8 2HB ALA 8 -49.469 -18.519 7.440 58 3HB ALA 8 3HB ALA 8 -48.016 -18.063 8.361 59 H GLU 9 H GLU 9 -48.903 -15.428 4.517 60 HA GLU 9 HA GLU 9 -49.727 -13.083 5.832 61 1HB GLU 9 1HB GLU 9 -48.661 -13.355 3.484 62 2HB GLU 9 2HB GLU 9 -50.266 -13.777 2.921 63 1HG GLU 9 1HG GLU 9 -51.125 -11.629 3.296 64 2HG GLU 9 2HG GLU 9 -49.988 -11.277 4.582 65 HE2 GLU 9 HE2 GLU 9 -47.653 -9.910 2.597 66 H SER 10 H SER 10 -51.894 -12.047 5.640 67 HA SER 10 HA SER 10 -54.007 -13.997 5.227 68 1HB SER 10 1HB SER 10 -55.187 -13.162 7.249 69 2HB SER 10 2HB SER 10 -53.648 -13.898 7.652 70 HG SER 10 HG SER 10 -52.884 -12.009 8.355 71 H SER 11 H SER 11 -56.252 -12.748 5.203 72 HA SER 11 HA SER 11 -55.773 -10.374 3.599 73 1HB SER 11 1HB SER 11 -57.894 -10.801 2.545 74 2HB SER 11 2HB SER 11 -57.049 -12.334 2.619 75 HG SER 11 HG SER 11 -58.294 -12.793 4.611 76 H GLY 12 H GLY 12 -56.759 -8.375 4.121 77 1HA GLY 12 1HA GLY 12 -58.868 -7.744 5.618 78 2HA GLY 12 2HA GLY 12 -57.706 -8.154 6.864 79 H CYS 13 H CYS 13 -55.369 -7.136 6.419 80 HA CYS 13 HA CYS 13 -54.165 -5.303 6.399 81 1HB CYS 13 1HB CYS 13 -55.028 -5.523 3.866 82 2HB CYS 13 2HB CYS 13 -55.751 -3.972 4.246 83 HG CYS 13 HG CYS 13 -52.883 -4.665 3.384 84 H ASN 14 H ASN 14 -55.511 -5.088 8.549 85 HA ASN 14 HA ASN 14 -57.383 -2.905 8.424 86 1HB ASN 14 1HB ASN 14 -56.840 -5.152 10.223 87 2HB ASN 14 2HB ASN 14 -56.882 -3.660 11.140 88 1HD2 ASN 14 1HD2 ASN 14 -58.708 -6.105 10.564 89 2HD2 ASN 14 2HD2 ASN 14 -60.282 -5.416 10.342 90 H SER 15 H SER 15 -54.375 -2.637 7.921 91 HA SER 15 HA SER 15 -53.978 -0.277 9.285 92 1HB SER 15 1HB SER 15 -53.626 -2.092 11.157 93 2HB SER 15 2HB SER 15 -52.095 -2.395 10.361 94 HG SER 15 HG SER 15 -51.314 -0.678 11.353 95 H HIS 16 H HIS 16 -53.376 0.372 7.159 96 HA HIS 16 HA HIS 16 -50.956 -0.918 6.133 97 1HB HIS 16 1HB HIS 16 -51.679 0.181 3.950 98 2HB HIS 16 2HB HIS 16 -52.615 -1.188 4.515 99 HD1 HIS 16 HD1 HIS 16 -52.809 2.636 4.883 100 HD2 HIS 16 HD2 HIS 16 -55.291 -0.709 4.379 101 HE1 HIS 16 HE1 HIS 16 -55.190 3.534 4.696 102 H MET 17 H MET 17 -50.212 0.606 8.123 103 HA MET 17 HA MET 17 -50.052 3.348 7.438 104 1HB MET 17 1HB MET 17 -49.603 1.665 9.723 105 2HB MET 17 2HB MET 17 -48.073 2.462 9.412 106 1HG MET 17 1HG MET 17 -48.886 4.547 9.976 107 2HG MET 17 2HG MET 17 -50.448 4.257 9.236 108 1HE MET 17 1HE MET 17 -51.883 5.010 10.485 109 2HE MET 17 2HE MET 17 -52.745 3.712 11.345 110 3HE MET 17 3HE MET 17 -51.984 5.035 12.262 111 HA PRO 18 HA PRO 18 -46.326 3.277 5.213 112 1HB PRO 18 1HB PRO 18 -45.374 5.804 5.631 113 2HB PRO 18 2HB PRO 18 -46.634 5.434 4.470 114 1HG PRO 18 1HG PRO 18 -46.877 6.716 7.122 115 2HG PRO 18 2HG PRO 18 -48.018 6.721 5.792 116 1HD PRO 18 1HD PRO 18 -48.182 5.153 8.188 117 2HD PRO 18 2HD PRO 18 -49.259 5.073 6.807 118 H TYR 19 H TYR 19 -45.523 1.552 6.646 119 HA TYR 19 HA TYR 19 -43.658 2.543 8.635 120 1HB TYR 19 1HB TYR 19 -44.985 0.602 9.244 121 2HB TYR 19 2HB TYR 19 -44.836 -0.099 7.645 122 HD1 TYR 19 HD1 TYR 19 -42.765 -1.286 6.978 123 HD2 TYR 19 HD2 TYR 19 -43.285 0.250 10.937 124 HE1 TYR 19 HE1 TYR 19 -40.846 -2.736 7.801 125 HE2 TYR 19 HE2 TYR 19 -41.364 -1.205 11.746 126 HH TYR 19 HH TYR 19 -40.324 -3.739 10.376 127 H GLY 20 H GLY 20 -41.425 2.451 8.497 128 1HA GLY 20 1HA GLY 20 -40.158 0.978 6.350 129 2HA GLY 20 2HA GLY 20 -40.091 2.721 6.178 130 H TYR 21 H TYR 21 -38.546 3.878 7.299 131 HA TYR 21 HA TYR 21 -36.702 2.336 8.895 132 1HB TYR 21 1HB TYR 21 -36.990 5.221 7.868 133 2HB TYR 21 2HB TYR 21 -35.644 4.757 8.890 134 HD1 TYR 21 HD1 TYR 21 -33.879 3.259 8.051 135 HD2 TYR 21 HD2 TYR 21 -37.119 4.492 5.545 136 HE1 TYR 21 HE1 TYR 21 -32.593 2.490 5.998 137 HE2 TYR 21 HE2 TYR 21 -35.822 3.719 3.500 138 HH TYR 21 HH TYR 21 -33.617 3.300 2.822 139 H ALA 22 H ALA 22 -39.167 2.351 10.204 140 HA ALA 22 HA ALA 22 -39.118 4.523 12.115 141 1HB ALA 22 1HB ALA 22 -41.290 3.967 12.450 142 2HB ALA 22 2HB ALA 22 -41.108 2.987 10.976 143 3HB ALA 22 3HB ALA 22 -40.922 2.230 12.576 144 H ALA 23 H ALA 23 -39.171 0.890 12.359 145 HA ALA 23 HA ALA 23 -37.983 1.047 14.966 146 1HB ALA 23 1HB ALA 23 -39.745 -0.622 14.168 147 2HB ALA 23 2HB ALA 23 -38.446 -1.411 13.242 148 3HB ALA 23 3HB ALA 23 -38.343 -1.316 15.016 149 H GLN 24 H GLN 24 -36.801 1.390 11.834 150 HA GLN 24 HA GLN 24 -34.386 -0.096 12.327 151 1HB GLN 24 1HB GLN 24 -35.821 0.643 10.018 152 2HB GLN 24 2HB GLN 24 -34.378 1.635 9.955 153 1HG GLN 24 1HG GLN 24 -33.940 -0.495 8.823 154 2HG GLN 24 2HG GLN 24 -32.961 -0.403 10.274 155 1HE2 GLN 24 1HE2 GLN 24 -33.313 -1.753 11.970 156 2HE2 GLN 24 2HE2 GLN 24 -34.399 -3.102 11.942 157 H ALA 25 H ALA 25 -35.608 2.817 13.353 158 HA ALA 25 HA ALA 25 -33.580 4.646 12.781 159 1HB ALA 25 1HB ALA 25 -34.598 5.970 14.495 160 2HB ALA 25 2HB ALA 25 -35.915 5.049 13.731 161 3HB ALA 25 3HB ALA 25 -35.266 4.534 15.307 162 H ARG 26 H ARG 26 -33.666 1.815 14.820 163 HA ARG 26 HA ARG 26 -31.744 2.700 16.661 164 1HB ARG 26 1HB ARG 26 -33.452 0.646 16.704 165 2HB ARG 26 2HB ARG 26 -32.128 -0.226 15.957 166 1HG ARG 26 1HG ARG 26 -30.893 -0.263 17.888 167 2HG ARG 26 2HG ARG 26 -31.275 1.401 18.282 168 1HD ARG 26 1HD ARG 26 -33.092 0.821 19.581 169 2HD ARG 26 2HD ARG 26 -33.588 -0.467 18.501 170 HE ARG 26 HE ARG 26 -31.677 -0.689 20.743 171 1HH1 ARG 26 2HH2 ARG 26 -33.056 -2.238 17.870 172 2HH1 ARG 26 1HH2 ARG 26 -32.581 -3.833 18.350 173 1HH2 ARG 26 1HH ARG 26 -31.403 -4.136 20.415 174 H ALA 27 H ALA 27 -31.683 1.205 13.435 175 HA ALA 27 HA ALA 27 -28.997 0.312 13.552 176 1HB ALA 27 1HB ALA 27 -30.727 1.005 11.145 177 2HB ALA 27 2HB ALA 27 -29.288 -0.043 11.160 178 3HB ALA 27 3HB ALA 27 -30.768 -0.552 12.007 179 H ARG 28 H ARG 28 -30.628 3.389 12.841 180 HA ARG 28 HA ARG 28 -28.570 4.574 11.444 181 1HB ARG 28 1HB ARG 28 -31.078 5.332 12.059 182 2HB ARG 28 2HB ARG 28 -30.269 6.201 13.347 183 1HG ARG 28 1HG ARG 28 -29.487 7.783 11.913 184 2HG ARG 28 2HG ARG 28 -28.842 6.574 10.820 185 1HD ARG 28 1HD ARG 28 -31.510 6.275 10.289 186 2HD ARG 28 2HD ARG 28 -31.500 7.962 10.762 187 HE ARG 28 HE ARG 28 -29.377 7.256 8.858 188 1HH1 ARG 28 2HH2 ARG 28 -32.724 8.365 9.206 189 2HH1 ARG 28 1HH2 ARG 28 -32.783 9.076 7.627 190 1HH2 ARG 28 1HH ARG 28 -30.850 8.962 6.215 191 H GLU 29 H GLU 29 -29.096 3.981 14.910 192 HA GLU 29 HA GLU 29 -27.078 5.834 15.699 193 1HB GLU 29 1HB GLU 29 -29.236 4.567 16.959 194 2HB GLU 29 2HB GLU 29 -27.841 3.791 17.682 195 1HG GLU 29 1HG GLU 29 -27.202 6.570 17.557 196 2HG GLU 29 2HG GLU 29 -28.863 6.488 18.112 197 HE2 GLU 29 HE2 GLU 29 -28.145 4.220 20.600 198 H ARG 30 H ARG 30 -27.291 2.467 14.716 199 HA ARG 30 HA ARG 30 -24.765 1.852 15.930 200 1HB ARG 30 1HB ARG 30 -26.976 0.337 14.613 201 2HB ARG 30 2HB ARG 30 -25.377 -0.316 14.317 202 1HG ARG 30 1HG ARG 30 -25.202 0.157 17.015 203 2HG ARG 30 2HG ARG 30 -26.920 -0.157 16.874 204 1HD ARG 30 1HD ARG 30 -26.597 -2.368 16.097 205 2HD ARG 30 2HD ARG 30 -24.983 -2.036 15.502 206 HE ARG 30 HE ARG 30 -24.110 -2.351 17.678 207 1HH1 ARG 30 2HH2 ARG 30 -27.652 -2.320 17.779 208 2HH1 ARG 30 1HH2 ARG 30 -27.734 -2.908 19.406 209 1HH2 ARG 30 1HH ARG 30 -25.704 -3.375 20.590 210 H GLU 31 H GLU 31 -26.174 2.795 12.820 211 HA GLU 31 HA GLU 31 -24.250 1.846 11.114 212 1HB GLU 31 1HB GLU 31 -26.252 4.074 11.070 213 2HB GLU 31 2HB GLU 31 -24.981 4.148 9.866 214 1HG GLU 31 1HG GLU 31 -25.541 1.888 9.059 215 2HG GLU 31 2HG GLU 31 -26.711 1.678 10.346 216 HE2 GLU 31 HE2 GLU 31 -26.246 3.130 7.278 217 H ARG 32 H ARG 32 -24.171 4.520 13.421 218 HA ARG 32 HA ARG 32 -22.195 6.035 12.275 219 1HB ARG 32 1HB ARG 32 -23.555 5.848 14.820 220 2HB ARG 32 2HB ARG 32 -21.841 6.013 15.146 221 1HG ARG 32 1HG ARG 32 -22.297 7.866 13.078 222 2HG ARG 32 2HG ARG 32 -23.737 7.996 14.068 223 1HD ARG 32 1HD ARG 32 -22.040 8.075 16.096 224 2HD ARG 32 2HD ARG 32 -20.848 8.470 14.874 225 HE ARG 32 HE ARG 32 -23.057 10.178 15.784 226 1HH1 ARG 32 2HH2 ARG 32 -20.706 9.598 13.198 227 2HH1 ARG 32 1HH2 ARG 32 -20.771 11.224 12.605 228 1HH2 ARG 32 1HH ARG 32 -22.212 12.809 13.680 229 H LEU 33 H LEU 33 -22.087 2.958 14.049 230 HA LEU 33 HA LEU 33 -19.202 3.111 14.330 231 1HB LEU 33 1HB LEU 33 -21.275 1.933 15.786 232 2HB LEU 33 2HB LEU 33 -20.438 0.587 15.039 233 HG LEU 33 HG LEU 33 -18.846 2.694 16.469 234 1HD1 LEU 33 1HD1 LEU 33 -19.680 2.263 18.476 235 2HD1 LEU 33 2HD1 LEU 33 -20.936 1.251 17.721 236 3HD1 LEU 33 3HD1 LEU 33 -19.403 0.519 18.251 237 1HD2 LEU 33 1HD2 LEU 33 -18.113 0.479 15.071 238 2HD2 LEU 33 2HD2 LEU 33 -17.151 1.222 16.371 239 3HD2 LEU 33 3HD2 LEU 33 -18.198 -0.173 16.725 240 H ALA 34 H ALA 34 -21.553 2.179 12.012 241 HA ALA 34 HA ALA 34 -20.006 0.015 10.910 242 1HB ALA 34 1HB ALA 34 -21.846 -0.330 9.541 243 2HB ALA 34 2HB ALA 34 -22.621 0.469 10.930 244 3HB ALA 34 3HB ALA 34 -22.247 1.403 9.461 245 H HIS 35 H HIS 35 -19.369 3.209 11.147 246 HA HIS 35 HA HIS 35 -18.691 3.628 8.364 247 1HB HIS 35 1HB HIS 35 -19.034 5.307 10.774 248 2HB HIS 35 2HB HIS 35 -17.736 5.807 9.708 249 HD1 HIS 35 HD1 HIS 35 -21.408 4.750 9.256 250 HD2 HIS 35 HD2 HIS 35 -18.626 7.534 7.804 251 HE1 HIS 35 HE1 HIS 35 -22.664 6.209 7.581 252 H SER 36 H SER 36 -17.351 2.196 11.160 253 HA SER 36 HA SER 36 -14.657 2.946 10.483 254 1HB SER 36 1HB SER 36 -15.812 2.454 12.878 255 2HB SER 36 2HB SER 36 -15.257 0.829 12.530 256 HG SER 36 HG SER 36 -13.095 1.894 12.068 257 H ARG 37 H ARG 37 -17.006 0.470 9.787 258 HA ARG 37 HA ARG 37 -14.989 -1.476 9.173 259 1HB ARG 37 1HB ARG 37 -17.604 -1.691 10.031 260 2HB ARG 37 2HB ARG 37 -17.817 -1.940 8.309 261 1HG ARG 37 1HG ARG 37 -15.503 -3.440 9.343 262 2HG ARG 37 2HG ARG 37 -16.977 -3.865 10.191 263 1HD ARG 37 1HD ARG 37 -17.754 -5.037 8.402 264 2HD ARG 37 2HD ARG 37 -17.524 -3.668 7.332 265 HE ARG 37 HE ARG 37 -14.946 -4.608 7.704 266 1HH1 ARG 37 2HH2 ARG 37 -17.969 -6.131 6.658 267 2HH1 ARG 37 1HH2 ARG 37 -17.177 -7.311 5.668 268 1HH2 ARG 37 1HH ARG 37 -14.784 -7.312 5.530 269 H ALA 38 H ALA 38 -15.641 1.282 7.720 270 HA ALA 38 HA ALA 38 -16.539 0.585 5.140 271 1HB ALA 38 1HB ALA 38 -16.609 2.865 6.181 272 2HB ALA 38 2HB ALA 38 -14.837 2.947 6.031 273 3HB ALA 38 3HB ALA 38 -15.850 2.849 4.571 274 H ALA 39 H ALA 39 -13.231 1.304 6.472 275 HA ALA 39 HA ALA 39 -11.770 0.881 4.223 276 1HB ALA 39 1HB ALA 39 -10.736 1.676 6.229 277 2HB ALA 39 2HB ALA 39 -11.218 0.224 7.137 278 3HB ALA 39 3HB ALA 39 -9.975 0.108 5.869 279 H ALA 40 H ALA 40 -12.025 -0.741 2.760 280 HA ALA 40 HA ALA 40 -12.717 -3.386 3.722 281 1HB ALA 40 1HB ALA 40 -13.841 -2.288 1.755 282 2HB ALA 40 2HB ALA 40 -12.290 -2.371 0.885 283 3HB ALA 40 3HB ALA 40 -13.114 -3.869 1.381 284 H ALA 41 H ALA 41 -10.426 -3.126 4.896 285 HA ALA 41 HA ALA 41 -8.040 -3.179 3.705 286 1HB ALA 41 1HB ALA 41 -7.814 -5.262 5.524 287 2HB ALA 41 2HB ALA 41 -7.704 -3.529 5.913 288 3HB ALA 41 3HB ALA 41 -9.252 -4.386 6.101 289 H ALA 42 H ALA 42 -10.340 -5.971 3.894 290 HA ALA 42 HA ALA 42 -8.743 -7.858 2.683 291 1HB ALA 42 1HB ALA 42 -11.707 -7.369 2.910 292 2HB ALA 42 2HB ALA 42 -11.116 -8.698 1.884 293 3HB ALA 42 3HB ALA 42 -10.715 -8.666 3.618 294 H ALA 43 H ALA 43 -11.131 -5.590 1.143 295 HA ALA 43 HA ALA 43 -10.800 -6.333 -1.452 296 1HB ALA 43 1HB ALA 43 -11.748 -4.235 -1.992 297 2HB ALA 43 2HB ALA 43 -12.334 -4.565 -0.345 298 3HB ALA 43 3HB ALA 43 -10.985 -3.432 -0.599 299 H VAL 44 H VAL 44 -8.493 -4.780 0.698 300 HA VAL 44 HA VAL 44 -6.802 -4.054 -1.567 301 HB VAL 44 HB VAL 44 -7.197 -3.145 1.181 302 1HG1 VAL 44 1HG1 VAL 44 -4.394 -3.693 0.183 303 2HG1 VAL 44 2HG1 VAL 44 -4.747 -2.433 1.389 304 3HG1 VAL 44 3HG1 VAL 44 -5.127 -4.135 1.744 305 1HG2 VAL 44 1HG2 VAL 44 -7.619 -1.592 -0.530 306 2HG2 VAL 44 2HG2 VAL 44 -6.042 -1.094 0.128 307 3HG2 VAL 44 3HG2 VAL 44 -6.121 -2.002 -1.401 308 H ALA 45 H ALA 45 -7.177 -6.363 1.108 309 HA ALA 45 HA ALA 45 -4.719 -7.357 1.488 310 1HB ALA 45 1HB ALA 45 -5.834 -9.540 1.860 311 2HB ALA 45 2HB ALA 45 -6.769 -8.195 2.558 312 3HB ALA 45 3HB ALA 45 -7.283 -8.934 1.022 313 H ALA 46 H ALA 46 -6.928 -8.379 -1.218 314 HA ALA 46 HA ALA 46 -4.943 -9.943 -2.465 315 1HB ALA 46 1HB ALA 46 -7.725 -9.219 -2.822 316 2HB ALA 46 2HB ALA 46 -6.865 -9.110 -4.377 317 3HB ALA 46 3HB ALA 46 -6.841 -10.630 -3.451 318 H ALA 47 H ALA 47 -6.150 -6.567 -2.943 319 HA ALA 47 HA ALA 47 -4.591 -6.016 -5.192 320 1HB ALA 47 1HB ALA 47 -6.552 -4.750 -3.741 321 2HB ALA 47 2HB ALA 47 -5.117 -3.785 -3.317 322 3HB ALA 47 3HB ALA 47 -5.586 -3.982 -5.023 323 H THR 48 H THR 48 -3.101 -3.708 -4.573 324 HA THR 48 HA THR 48 -0.896 -3.358 -4.224 325 HB THR 48 HB THR 48 -2.088 -2.432 -2.239 326 HG1 THR 48 HG1 THR 48 -0.102 -2.810 -0.794 327 1HG2 THR 48 1HG2 THR 48 -3.009 -4.614 -1.342 328 2HG2 THR 48 2HG2 THR 48 -1.348 -5.102 -0.930 329 3HG2 THR 48 3HG2 THR 48 -2.092 -3.704 -0.118 330 H ALA 49 H ALA 49 -1.066 -5.844 -5.337 331 HA ALA 49 HA ALA 49 -0.229 -8.033 -4.040 332 1HB ALA 49 1HB ALA 49 0.189 -8.799 -6.135 333 2HB ALA 49 2HB ALA 49 -0.426 -7.213 -6.659 334 3HB ALA 49 3HB ALA 49 1.326 -7.477 -6.494 335 H ALA 50 H ALA 50 1.732 -8.936 -3.277 336 HA ALA 50 HA ALA 50 3.626 -6.938 -2.402 337 1HB ALA 50 1HB ALA 50 3.418 -9.937 -1.907 338 2HB ALA 50 2HB ALA 50 4.541 -8.827 -1.086 339 3HB ALA 50 3HB ALA 50 2.785 -8.653 -0.849 340 H VAL 51 H VAL 51 3.736 -6.916 -5.120 341 HA VAL 51 HA VAL 51 6.352 -8.095 -5.578 342 HB VAL 51 HB VAL 51 3.892 -8.627 -7.244 343 1HG1 VAL 51 1HG1 VAL 51 6.729 -8.436 -8.060 344 2HG1 VAL 51 2HG1 VAL 51 5.893 -9.922 -8.570 345 3HG1 VAL 51 3HG1 VAL 51 5.241 -8.331 -9.032 346 1HG2 VAL 51 1HG2 VAL 51 5.162 -10.999 -7.008 347 2HG2 VAL 51 2HG2 VAL 51 5.677 -10.229 -5.488 348 3HG2 VAL 51 3HG2 VAL 51 3.944 -10.418 -5.847 349 H GLU 52 H GLU 52 6.267 -5.558 -4.962 350 HA GLU 52 HA GLU 52 6.037 -4.163 -7.515 351 1HB GLU 52 1HB GLU 52 4.530 -3.454 -5.532 352 2HB GLU 52 2HB GLU 52 5.989 -2.845 -4.775 353 1HG GLU 52 1HG GLU 52 6.396 -1.297 -6.616 354 2HG GLU 52 2HG GLU 52 5.134 -2.028 -7.587 355 HE2 GLU 52 HE2 GLU 52 3.242 0.472 -6.690 356 H GLY 53 H GLY 53 7.646 -2.296 -7.774 357 1HA GLY 53 1HA GLY 53 9.868 -1.805 -6.318 358 2HA GLY 53 2HA GLY 53 10.287 -3.287 -7.154 359 H THR 54 H THR 54 9.143 0.097 -7.640 360 HA THR 54 HA THR 54 10.139 -0.058 -10.404 361 HB THR 54 HB THR 54 7.771 0.536 -10.267 362 HG1 THR 54 HG1 THR 54 9.396 2.973 -10.375 363 1HG2 THR 54 1HG2 THR 54 7.614 1.342 -7.930 364 2HG2 THR 54 2HG2 THR 54 8.716 2.690 -8.303 365 3HG2 THR 54 3HG2 THR 54 7.095 2.637 -9.037 366 H GLY 55 H GLY 55 12.251 -0.042 -8.868 367 1HA GLY 55 1HA GLY 55 13.085 2.795 -8.827 368 2HA GLY 55 2HA GLY 55 13.494 1.684 -7.535 369 H GLY 56 H GLY 56 14.901 -0.188 -8.001 370 1HA GLY 56 1HA GLY 56 16.057 -0.757 -10.452 371 2HA GLY 56 2HA GLY 56 17.043 0.501 -9.734 372 H SER 57 H SER 57 18.730 -0.205 -8.510 373 HA SER 57 HA SER 57 18.398 -2.093 -6.505 374 1HB SER 57 1HB SER 57 19.545 -4.024 -7.339 375 2HB SER 57 2HB SER 57 18.336 -3.623 -8.543 376 HG SER 57 HG SER 57 19.903 -3.411 -9.973 377 H GLY 58 H GLY 58 20.711 -2.752 -5.606 378 1HA GLY 58 1HA GLY 58 22.192 -0.380 -5.250 379 2HA GLY 58 2HA GLY 58 22.639 -1.993 -4.731 380 H GLY 59 H GLY 59 24.881 -1.357 -5.322 381 1HA GLY 59 1HA GLY 59 25.335 -1.704 -8.224 382 2HA GLY 59 2HA GLY 59 26.200 -0.507 -7.281 383 H GLY 60 H GLY 60 27.992 -1.994 -8.355 384 1HA GLY 60 1HA GLY 60 28.576 -4.216 -6.489 385 2HA GLY 60 2HA GLY 60 29.046 -4.178 -8.177 386 HA PRO 61 HA PRO 61 32.265 -2.178 -5.474 387 1HB PRO 61 1HB PRO 61 33.990 -4.242 -4.996 388 2HB PRO 61 2HB PRO 61 32.780 -3.718 -3.842 389 1HG PRO 61 1HG PRO 61 32.776 -6.115 -5.573 390 2HG PRO 61 2HG PRO 61 31.819 -5.794 -4.140 391 1HD PRO 61 1HD PRO 61 30.931 -5.656 -6.864 392 2HD PRO 61 2HD PRO 61 30.009 -5.224 -5.438 393 H HIS 62 H HIS 62 32.409 -1.109 -7.550 394 HA HIS 62 HA HIS 62 33.968 -2.381 -9.536 395 1HB HIS 62 1HB HIS 62 32.284 -0.150 -9.355 396 2HB HIS 62 2HB HIS 62 33.859 0.522 -9.725 397 HD1 HIS 62 HD1 HIS 62 31.208 0.170 -11.643 398 HD2 HIS 62 HD2 HIS 62 34.825 -1.948 -11.807 399 HE1 HIS 62 HE1 HIS 62 31.403 -0.729 -14.023 400 H HIS 63 H HIS 63 36.036 -1.269 -10.418 401 HA HIS 63 HA HIS 63 38.077 -1.605 -8.726 402 1HB HIS 63 1HB HIS 63 38.192 0.602 -10.772 403 2HB HIS 63 2HB HIS 63 39.450 -0.519 -10.293 404 HD1 HIS 63 HD1 HIS 63 38.867 -3.171 -10.963 405 HD2 HIS 63 HD2 HIS 63 36.897 -0.125 -13.069 406 HE1 HIS 63 HE1 HIS 63 37.997 -4.236 -13.112 407 H HIS 64 H HIS 64 39.225 -0.453 -7.164 408 HA HIS 64 HA HIS 64 37.778 1.782 -6.060 409 1HB HIS 64 1HB HIS 64 38.492 0.039 -4.554 410 2HB HIS 64 2HB HIS 64 40.153 0.172 -5.097 411 HD1 HIS 64 HD1 HIS 64 37.623 2.731 -3.730 412 HD2 HIS 64 HD2 HIS 64 41.590 1.478 -3.196 413 HE1 HIS 64 HE1 HIS 64 38.601 4.215 -1.899 414 H HIS 65 H HIS 65 41.235 1.087 -6.966 415 HA HIS 65 HA HIS 65 42.817 2.377 -7.767 416 1HB HIS 65 1HB HIS 65 40.459 3.984 -8.770 417 2HB HIS 65 2HB HIS 65 42.118 4.405 -9.147 418 HD1 HIS 65 HD1 HIS 65 43.468 1.933 -10.019 419 HD2 HIS 65 HD2 HIS 65 39.414 2.600 -10.862 420 HE1 HIS 65 HE1 HIS 65 42.896 0.439 -12.007 421 H GLN 66 H GLN 66 43.755 2.862 -5.747 422 HA GLN 66 HA GLN 66 42.737 4.786 -4.037 423 1HB GLN 66 1HB GLN 66 44.535 2.915 -3.667 424 2HB GLN 66 2HB GLN 66 45.688 4.112 -4.221 425 1HG GLN 66 1HG GLN 66 45.567 5.306 -2.275 426 2HG GLN 66 2HG GLN 66 43.818 5.211 -2.218 427 1HE2 GLN 66 1HE2 GLN 66 44.484 4.993 0.110 428 2HE2 GLN 66 2HE2 GLN 66 44.695 3.395 0.744 429 H THR 67 H THR 67 44.401 6.734 -3.348 430 HA THR 67 HA THR 67 44.218 8.582 -5.479 431 HB THR 67 HB THR 67 45.726 9.863 -3.651 432 HG1 THR 67 HG1 THR 67 45.266 8.680 -1.584 433 1HG2 THR 67 1HG2 THR 67 42.828 9.012 -3.544 434 2HG2 THR 67 2HG2 THR 67 43.529 9.762 -2.090 435 3HG2 THR 67 3HG2 THR 67 43.516 10.652 -3.631 436 H ARG 68 H ARG 68 45.716 9.459 -6.866 437 HA ARG 68 HA ARG 68 47.621 7.858 -7.851 438 1HB ARG 68 1HB ARG 68 46.707 10.462 -8.340 439 2HB ARG 68 2HB ARG 68 48.401 10.719 -7.973 440 1HG ARG 68 1HG ARG 68 48.383 10.333 -10.317 441 2HG ARG 68 2HG ARG 68 48.900 8.798 -9.647 442 1HD ARG 68 1HD ARG 68 45.954 9.015 -9.846 443 2HD ARG 68 2HD ARG 68 46.748 9.177 -11.400 444 HE ARG 68 HE ARG 68 47.749 6.940 -9.774 445 1HH1 ARG 68 2HH2 ARG 68 45.386 7.943 -12.216 446 2HH1 ARG 68 1HH2 ARG 68 45.135 6.337 -12.812 447 1HH2 ARG 68 1HH ARG 68 46.340 4.516 -11.825 448 H GLY 69 H GLY 69 50.109 8.273 -7.909 449 1HA GLY 69 1HA GLY 69 51.113 8.088 -5.244 450 2HA GLY 69 2HA GLY 69 52.029 8.054 -6.738 451 H ALA 70 H ALA 70 53.208 9.849 -7.347 452 HA ALA 70 HA ALA 70 52.453 12.475 -6.686 453 1HB ALA 70 1HB ALA 70 54.699 11.276 -5.013 454 2HB ALA 70 2HB ALA 70 54.207 12.986 -5.035 455 3HB ALA 70 3HB ALA 70 53.093 11.748 -4.407 456 H TYR 71 H TYR 71 52.864 11.903 -9.108 457 HA TYR 71 HA TYR 71 55.228 11.312 -10.230 458 1HB TYR 71 1HB TYR 71 54.294 12.508 -12.120 459 2HB TYR 71 2HB TYR 71 52.885 12.095 -11.164 460 HD1 TYR 71 HD1 TYR 71 54.689 14.738 -12.728 461 HD2 TYR 71 HD2 TYR 71 52.042 13.898 -9.474 462 HE1 TYR 71 HE1 TYR 71 54.038 17.193 -12.615 463 HE2 TYR 71 HE2 TYR 71 51.399 16.355 -9.372 464 HH TYR 71 HH TYR 71 53.131 18.723 -10.633 465 H SER 72 H SER 72 57.045 12.535 -11.096 466 HA SER 72 HA SER 72 58.701 13.928 -10.948 467 1HB SER 72 1HB SER 72 56.770 16.008 -9.838 468 2HB SER 72 2HB SER 72 58.288 16.315 -10.659 469 HG SER 72 HG SER 72 55.980 16.298 -11.827 470 H SER 73 H SER 73 60.216 15.042 -9.383 471 HA SER 73 HA SER 73 59.495 15.112 -6.662 472 1HB SER 73 1HB SER 73 59.925 12.587 -7.243 473 2HB SER 73 2HB SER 73 61.617 13.041 -7.297 474 HG SER 73 HG SER 73 61.021 14.084 -5.059 475 H HIS 74 H HIS 74 60.374 17.209 -6.638 476 HA HIS 74 HA HIS 74 62.837 17.802 -7.870 477 1HB HIS 74 1HB HIS 74 62.543 19.981 -7.029 478 2HB HIS 74 2HB HIS 74 60.935 19.391 -7.402 479 HD1 HIS 74 HD1 HIS 74 62.759 21.076 -4.797 480 HD2 HIS 74 HD2 HIS 74 59.617 18.297 -4.888 481 HE1 HIS 74 HE1 HIS 74 61.614 21.215 -2.521 482 H ASP 75 H ASP 75 64.861 17.323 -7.191 483 HA ASP 75 HA ASP 75 65.136 16.339 -4.506 484 1HB ASP 75 1HB ASP 75 66.244 15.021 -6.178 485 2HB ASP 75 2HB ASP 75 66.925 16.434 -6.960 486 HD2 ASP 75 HD2 ASP 75 69.247 15.006 -6.339 Start of MODEL 16 1 H MET 1 H MET 1 -13.837 27.831 7.699 2 HA MET 1 HA MET 1 -15.653 29.304 9.449 3 1HB MET 1 1HB MET 1 -13.718 30.559 8.184 4 2HB MET 1 2HB MET 1 -14.635 30.248 6.723 5 1HG MET 1 1HG MET 1 -16.605 31.439 7.690 6 2HG MET 1 2HG MET 1 -15.719 31.721 9.175 7 1HE MET 1 1HE MET 1 -15.748 31.896 5.502 8 2HE MET 1 2HE MET 1 -16.381 33.557 5.601 9 3HE MET 1 3HE MET 1 -14.723 33.269 5.020 10 H GLU 2 H GLU 2 -17.755 28.710 9.166 11 HA GLU 2 HA GLU 2 -18.529 27.015 7.127 12 1HB GLU 2 1HB GLU 2 -19.617 27.864 9.501 13 2HB GLU 2 2HB GLU 2 -20.645 28.714 8.365 14 1HG GLU 2 1HG GLU 2 -21.556 26.759 7.494 15 2HG GLU 2 2HG GLU 2 -20.091 25.830 7.747 16 HE2 GLU 2 HE2 GLU 2 -23.111 25.976 10.130 17 H VAL 3 H VAL 3 -19.438 27.327 5.090 18 HA VAL 3 HA VAL 3 -19.435 30.099 4.164 19 HB VAL 3 HB VAL 3 -19.652 27.640 2.450 20 1HG1 VAL 3 1HG1 VAL 3 -18.932 28.995 0.707 21 2HG1 VAL 3 2HG1 VAL 3 -19.927 30.119 1.664 22 3HG1 VAL 3 3HG1 VAL 3 -18.152 30.166 1.797 23 1HG2 VAL 3 1HG2 VAL 3 -17.195 28.730 3.821 24 2HG2 VAL 3 2HG2 VAL 3 -17.750 27.045 3.676 25 3HG2 VAL 3 3HG2 VAL 3 -17.082 27.887 2.257 26 H ALA 4 H ALA 4 -21.234 30.942 2.944 27 HA ALA 4 HA ALA 4 -23.681 30.571 4.027 28 1HB ALA 4 1HB ALA 4 -22.575 32.135 2.055 29 2HB ALA 4 2HB ALA 4 -23.719 31.140 1.122 30 3HB ALA 4 3HB ALA 4 -24.302 32.121 2.488 31 H MET 5 H MET 5 -25.671 29.510 3.267 32 HA MET 5 HA MET 5 -25.009 27.013 1.909 33 1HB MET 5 1HB MET 5 -25.914 27.197 4.433 34 2HB MET 5 2HB MET 5 -27.469 27.408 3.653 35 1HG MET 5 1HG MET 5 -27.498 25.232 2.787 36 2HG MET 5 2HG MET 5 -25.751 25.124 2.697 37 1HE MET 5 1HE MET 5 -27.001 22.318 4.637 38 2HE MET 5 2HE MET 5 -28.427 23.215 5.212 39 3HE MET 5 3HE MET 5 -27.945 23.312 3.501 40 H VAL 6 H VAL 6 -26.498 26.179 0.321 41 HA VAL 6 HA VAL 6 -27.907 28.266 -1.055 42 HB VAL 6 HB VAL 6 -26.472 26.311 -1.979 43 1HG1 VAL 6 1HG1 VAL 6 -28.354 24.757 -0.727 44 2HG1 VAL 6 2HG1 VAL 6 -28.953 24.776 -2.403 45 3HG1 VAL 6 3HG1 VAL 6 -27.299 24.217 -2.056 46 1HG2 VAL 6 1HG2 VAL 6 -28.898 26.382 -3.626 47 2HG2 VAL 6 2HG2 VAL 6 -28.377 27.992 -3.072 48 3HG2 VAL 6 3HG2 VAL 6 -27.252 26.956 -3.983 49 H SER 7 H SER 7 -30.114 26.919 -2.140 50 HA SER 7 HA SER 7 -32.188 26.397 -1.765 51 1HB SER 7 1HB SER 7 -30.828 25.055 0.498 52 2HB SER 7 2HB SER 7 -32.515 25.408 0.815 53 HG SER 7 HG SER 7 -32.942 24.381 -1.358 54 H ALA 8 H ALA 8 -33.376 28.283 -1.697 55 HA ALA 8 HA ALA 8 -33.023 30.148 0.443 56 1HB ALA 8 1HB ALA 8 -33.689 30.388 -2.159 57 2HB ALA 8 2HB ALA 8 -35.323 30.341 -1.456 58 3HB ALA 8 3HB ALA 8 -34.164 31.587 -0.933 59 H GLU 9 H GLU 9 -33.624 29.134 2.393 60 HA GLU 9 HA GLU 9 -34.946 28.400 3.952 61 1HB GLU 9 1HB GLU 9 -36.192 30.401 3.870 62 2HB GLU 9 2HB GLU 9 -36.881 30.034 2.302 63 1HG GLU 9 1HG GLU 9 -38.229 28.190 3.318 64 2HG GLU 9 2HG GLU 9 -37.532 28.540 4.887 65 HE2 GLU 9 HE2 GLU 9 -38.542 30.345 6.005 66 H SER 10 H SER 10 -36.717 26.805 4.541 67 HA SER 10 HA SER 10 -37.952 25.378 2.456 68 1HB SER 10 1HB SER 10 -35.571 24.535 2.275 69 2HB SER 10 2HB SER 10 -35.699 23.927 3.914 70 HG SER 10 HG SER 10 -36.287 22.546 1.817 71 H SER 11 H SER 11 -39.583 23.959 3.305 72 HA SER 11 HA SER 11 -39.605 22.994 5.872 73 1HB SER 11 1HB SER 11 -39.859 25.636 6.176 74 2HB SER 11 2HB SER 11 -41.531 25.315 5.762 75 HG SER 11 HG SER 11 -40.396 23.588 7.699 76 H GLY 12 H GLY 12 -40.863 21.211 5.489 77 1HA GLY 12 1HA GLY 12 -43.557 21.467 4.583 78 2HA GLY 12 2HA GLY 12 -42.516 20.839 3.322 79 H CYS 13 H CYS 13 -40.768 19.129 4.388 80 HA CYS 13 HA CYS 13 -40.441 17.185 5.369 81 1HB CYS 13 1HB CYS 13 -41.599 18.433 7.392 82 2HB CYS 13 2HB CYS 13 -42.921 17.332 7.059 83 HG CYS 13 HG CYS 13 -41.580 15.129 7.190 84 H ASN 14 H ASN 14 -41.208 16.808 2.967 85 HA ASN 14 HA ASN 14 -43.780 15.491 2.909 86 1HB ASN 14 1HB ASN 14 -42.093 16.915 0.985 87 2HB ASN 14 2HB ASN 14 -42.496 15.330 0.356 88 1HD2 ASN 14 1HD2 ASN 14 -43.880 18.213 1.878 89 2HD2 ASN 14 2HD2 ASN 14 -45.428 18.162 1.102 90 H SER 15 H SER 15 -41.252 14.426 4.271 91 HA SER 15 HA SER 15 -40.952 12.028 2.635 92 1HB SER 15 1HB SER 15 -38.715 11.785 3.894 93 2HB SER 15 2HB SER 15 -38.803 13.035 2.669 94 HG SER 15 HG SER 15 -37.896 14.044 4.438 95 H HIS 16 H HIS 16 -43.026 11.441 3.863 96 HA HIS 16 HA HIS 16 -42.278 10.371 6.486 97 1HB HIS 16 1HB HIS 16 -44.463 12.152 5.744 98 2HB HIS 16 2HB HIS 16 -45.057 10.684 6.494 99 HD1 HIS 16 HD1 HIS 16 -43.498 13.925 7.270 100 HD2 HIS 16 HD2 HIS 16 -43.922 10.209 9.169 101 HE1 HIS 16 HE1 HIS 16 -42.981 14.320 9.737 102 H MET 17 H MET 17 -41.586 8.655 4.720 103 HA MET 17 HA MET 17 -43.402 7.263 3.271 104 1HB MET 17 1HB MET 17 -40.712 6.861 4.400 105 2HB MET 17 2HB MET 17 -41.585 5.342 4.357 106 1HG MET 17 1HG MET 17 -41.903 5.452 1.983 107 2HG MET 17 2HG MET 17 -41.539 7.165 1.922 108 1HE MET 17 1HE MET 17 -39.318 7.057 0.083 109 2HE MET 17 2HE MET 17 -38.693 5.395 -0.048 110 3HE MET 17 3HE MET 17 -40.448 5.691 -0.077 111 HA PRO 18 HA PRO 18 -45.782 4.956 6.070 112 1HB PRO 18 1HB PRO 18 -46.366 2.693 4.654 113 2HB PRO 18 2HB PRO 18 -47.195 4.217 4.409 114 1HG PRO 18 1HG PRO 18 -45.143 2.930 2.714 115 2HG PRO 18 2HG PRO 18 -46.272 4.203 2.295 116 1HD PRO 18 1HD PRO 18 -43.477 4.506 2.862 117 2HD PRO 18 2HD PRO 18 -44.629 5.790 2.557 118 H TYR 19 H TYR 19 -46.160 2.555 6.979 119 HA TYR 19 HA TYR 19 -44.184 2.033 8.685 120 1HB TYR 19 1HB TYR 19 -46.526 0.898 8.090 121 2HB TYR 19 2HB TYR 19 -45.584 -0.171 7.071 122 HD1 TYR 19 HD1 TYR 19 -43.540 -1.365 8.272 123 HD2 TYR 19 HD2 TYR 19 -46.920 0.292 10.305 124 HE1 TYR 19 HE1 TYR 19 -43.072 -2.854 10.280 125 HE2 TYR 19 HE2 TYR 19 -46.440 -1.202 12.305 126 HH TYR 19 HH TYR 19 -45.312 -3.379 12.694 127 H GLY 20 H GLY 20 -42.011 1.963 8.317 128 1HA GLY 20 1HA GLY 20 -40.988 -0.170 6.647 129 2HA GLY 20 2HA GLY 20 -40.642 1.446 6.061 130 H TYR 21 H TYR 21 -38.936 2.590 6.933 131 HA TYR 21 HA TYR 21 -37.368 1.221 8.932 132 1HB TYR 21 1HB TYR 21 -37.084 3.932 7.492 133 2HB TYR 21 2HB TYR 21 -35.787 3.093 8.319 134 HD1 TYR 21 HD1 TYR 21 -37.920 3.127 5.312 135 HD2 TYR 21 HD2 TYR 21 -34.647 1.208 7.290 136 HE1 TYR 21 HE1 TYR 21 -37.296 1.946 3.149 137 HE2 TYR 21 HE2 TYR 21 -34.034 0.033 5.120 138 HH TYR 21 HH TYR 21 -35.886 -0.492 2.772 139 H ALA 22 H ALA 22 -39.803 1.937 10.092 140 HA ALA 22 HA ALA 22 -39.615 4.501 11.322 141 1HB ALA 22 1HB ALA 22 -41.338 2.675 12.736 142 2HB ALA 22 2HB ALA 22 -41.782 4.041 11.684 143 3HB ALA 22 3HB ALA 22 -41.538 2.422 10.986 144 H ALA 23 H ALA 23 -39.226 1.078 12.488 145 HA ALA 23 HA ALA 23 -37.996 2.099 14.911 146 1HB ALA 23 1HB ALA 23 -38.361 -0.809 14.168 147 2HB ALA 23 2HB ALA 23 -38.356 -0.054 15.780 148 3HB ALA 23 3HB ALA 23 -39.747 0.176 14.693 149 H GLN 24 H GLN 24 -36.853 2.145 11.983 150 HA GLN 24 HA GLN 24 -34.562 0.450 12.332 151 1HB GLN 24 1HB GLN 24 -35.724 2.105 10.115 152 2HB GLN 24 2HB GLN 24 -33.993 1.837 10.073 153 1HG GLN 24 1HG GLN 24 -35.907 -0.483 10.514 154 2HG GLN 24 2HG GLN 24 -35.567 0.097 8.896 155 1HE2 GLN 24 1HE2 GLN 24 -34.380 -1.551 11.688 156 2HE2 GLN 24 2HE2 GLN 24 -32.867 -2.103 11.048 157 H ALA 25 H ALA 25 -35.496 3.379 13.588 158 HA ALA 25 HA ALA 25 -33.323 5.057 13.096 159 1HB ALA 25 1HB ALA 25 -34.456 5.320 15.774 160 2HB ALA 25 2HB ALA 25 -34.557 6.429 14.386 161 3HB ALA 25 3HB ALA 25 -35.727 5.097 14.547 162 H ARG 26 H ARG 26 -33.625 2.105 14.933 163 HA ARG 26 HA ARG 26 -31.596 2.680 16.781 164 1HB ARG 26 1HB ARG 26 -33.468 0.611 16.349 165 2HB ARG 26 2HB ARG 26 -31.920 -0.179 16.124 166 1HG ARG 26 1HG ARG 26 -31.755 -0.309 18.383 167 2HG ARG 26 2HG ARG 26 -31.511 1.426 18.398 168 1HD ARG 26 1HD ARG 26 -34.325 0.283 18.308 169 2HD ARG 26 2HD ARG 26 -33.469 0.398 19.833 170 HE ARG 26 HE ARG 26 -33.346 2.901 18.358 171 1HH1 ARG 26 2HH2 ARG 26 -35.434 0.960 20.462 172 2HH1 ARG 26 1HH2 ARG 26 -36.331 2.324 21.040 173 1HH2 ARG 26 1HH ARG 26 -35.781 4.515 20.238 174 H ALA 27 H ALA 27 -31.732 1.423 13.457 175 HA ALA 27 HA ALA 27 -29.136 0.289 13.443 176 1HB ALA 27 1HB ALA 27 -30.710 1.332 11.065 177 2HB ALA 27 2HB ALA 27 -29.528 0.002 11.107 178 3HB ALA 27 3HB ALA 27 -31.115 -0.193 11.889 179 H ARG 28 H ARG 28 -30.496 3.542 12.991 180 HA ARG 28 HA ARG 28 -28.366 4.638 11.629 181 1HB ARG 28 1HB ARG 28 -30.788 5.564 12.379 182 2HB ARG 28 2HB ARG 28 -29.860 6.279 13.682 183 1HG ARG 28 1HG ARG 28 -29.172 7.933 12.296 184 2HG ARG 28 2HG ARG 28 -28.382 6.753 11.269 185 1HD ARG 28 1HD ARG 28 -29.886 7.331 9.659 186 2HD ARG 28 2HD ARG 28 -31.079 6.443 10.586 187 HE ARG 28 HE ARG 28 -31.971 8.478 11.393 188 1HH1 ARG 28 2HH2 ARG 28 -28.942 9.086 9.660 189 2HH1 ARG 28 1HH2 ARG 28 -29.168 10.803 9.614 190 1HH2 ARG 28 1HH ARG 28 -31.131 11.755 10.604 191 H GLU 29 H GLU 29 -28.876 3.845 15.057 192 HA GLU 29 HA GLU 29 -26.685 5.449 15.922 193 1HB GLU 29 1HB GLU 29 -28.787 3.770 17.162 194 2HB GLU 29 2HB GLU 29 -27.251 3.696 18.002 195 1HG GLU 29 1HG GLU 29 -27.200 6.241 18.000 196 2HG GLU 29 2HG GLU 29 -28.813 6.228 17.315 197 HE2 GLU 29 HE2 GLU 29 -30.557 5.410 19.744 198 H ARG 30 H ARG 30 -27.220 2.194 14.710 199 HA ARG 30 HA ARG 30 -24.736 1.272 15.813 200 1HB ARG 30 1HB ARG 30 -27.100 0.058 14.449 201 2HB ARG 30 2HB ARG 30 -25.573 -0.711 14.067 202 1HG ARG 30 1HG ARG 30 -25.332 -0.421 16.803 203 2HG ARG 30 2HG ARG 30 -27.064 -0.637 16.649 204 1HD ARG 30 1HD ARG 30 -26.674 -2.727 15.307 205 2HD ARG 30 2HD ARG 30 -24.944 -2.514 15.490 206 HE ARG 30 HE ARG 30 -26.417 -2.538 18.035 207 1HH1 ARG 30 2HH2 ARG 30 -24.729 -4.511 15.624 208 2HH1 ARG 30 1HH2 ARG 30 -24.418 -5.812 16.725 209 1HH2 ARG 30 1HH ARG 30 -25.178 -5.638 18.991 210 H GLU 31 H GLU 31 -26.115 2.559 12.814 211 HA GLU 31 HA GLU 31 -24.165 1.578 11.078 212 1HB GLU 31 1HB GLU 31 -26.236 3.760 10.996 213 2HB GLU 31 2HB GLU 31 -24.991 3.772 9.763 214 1HG GLU 31 1HG GLU 31 -25.569 1.240 9.430 215 2HG GLU 31 2HG GLU 31 -27.018 1.583 10.353 216 HE2 GLU 31 HE2 GLU 31 -26.123 2.564 6.748 217 H ARG 32 H ARG 32 -24.247 4.241 13.391 218 HA ARG 32 HA ARG 32 -22.352 5.871 12.263 219 1HB ARG 32 1HB ARG 32 -23.648 5.524 14.863 220 2HB ARG 32 2HB ARG 32 -21.963 5.947 15.092 221 1HG ARG 32 1HG ARG 32 -22.212 8.055 14.165 222 2HG ARG 32 2HG ARG 32 -23.407 7.523 12.998 223 1HD ARG 32 1HD ARG 32 -24.882 7.169 15.243 224 2HD ARG 32 2HD ARG 32 -23.797 8.403 15.853 225 HE ARG 32 HE ARG 32 -24.740 9.223 13.277 226 1HH1 ARG 32 2HH2 ARG 32 -25.940 8.785 16.582 227 2HH1 ARG 32 1HH2 ARG 32 -27.179 9.985 16.424 228 1HH2 ARG 32 1HH ARG 32 -27.417 11.160 14.349 229 H LEU 33 H LEU 33 -22.083 2.791 14.011 230 HA LEU 33 HA LEU 33 -19.214 3.104 14.318 231 1HB LEU 33 1HB LEU 33 -21.229 1.796 15.745 232 2HB LEU 33 2HB LEU 33 -20.311 0.507 14.993 233 HG LEU 33 HG LEU 33 -18.688 2.609 16.306 234 1HD1 LEU 33 1HD1 LEU 33 -20.376 2.596 17.960 235 2HD1 LEU 33 2HD1 LEU 33 -20.563 0.828 17.870 236 3HD1 LEU 33 3HD1 LEU 33 -19.084 1.533 18.566 237 1HD2 LEU 33 1HD2 LEU 33 -17.707 0.348 17.254 238 2HD2 LEU 33 2HD2 LEU 33 -18.619 -0.352 15.894 239 3HD2 LEU 33 3HD2 LEU 33 -17.371 0.881 15.589 240 H ALA 34 H ALA 34 -21.491 2.065 11.972 241 HA ALA 34 HA ALA 34 -19.815 0.003 10.861 242 1HB ALA 34 1HB ALA 34 -22.044 1.199 9.288 243 2HB ALA 34 2HB ALA 34 -21.658 -0.508 9.611 244 3HB ALA 34 3HB ALA 34 -22.492 0.464 10.846 245 H HIS 35 H HIS 35 -19.361 3.225 11.135 246 HA HIS 35 HA HIS 35 -18.684 3.708 8.362 247 1HB HIS 35 1HB HIS 35 -19.827 5.360 10.013 248 2HB HIS 35 2HB HIS 35 -18.215 5.607 10.654 249 HD1 HIS 35 HD1 HIS 35 -17.916 8.008 9.818 250 HD2 HIS 35 HD2 HIS 35 -18.857 5.291 6.763 251 HE1 HIS 35 HE1 HIS 35 -17.582 9.260 7.620 252 H SER 36 H SER 36 -17.289 2.325 11.156 253 HA SER 36 HA SER 36 -14.636 3.232 10.510 254 1HB SER 36 1HB SER 36 -15.909 1.670 12.745 255 2HB SER 36 2HB SER 36 -14.200 1.415 12.454 256 HG SER 36 HG SER 36 -14.949 4.122 12.461 257 H ARG 37 H ARG 37 -16.837 0.637 9.767 258 HA ARG 37 HA ARG 37 -14.709 -1.187 9.153 259 1HB ARG 37 1HB ARG 37 -17.314 -1.557 9.984 260 2HB ARG 37 2HB ARG 37 -17.500 -1.796 8.258 261 1HG ARG 37 1HG ARG 37 -15.479 -3.412 8.409 262 2HG ARG 37 2HG ARG 37 -15.661 -3.322 10.150 263 1HD ARG 37 1HD ARG 37 -18.051 -4.002 8.400 264 2HD ARG 37 2HD ARG 37 -16.894 -5.245 8.834 265 HE ARG 37 HE ARG 37 -17.848 -3.670 11.123 266 1HH1 ARG 37 2HH2 ARG 37 -18.437 -6.524 9.108 267 2HH1 ARG 37 1HH2 ARG 37 -19.375 -7.337 10.316 268 1HH2 ARG 37 1HH ARG 37 -19.743 -6.270 12.430 269 H ALA 38 H ALA 38 -15.500 1.545 7.722 270 HA ALA 38 HA ALA 38 -16.120 0.614 5.062 271 1HB ALA 38 1HB ALA 38 -16.746 2.866 6.408 272 2HB ALA 38 2HB ALA 38 -15.255 3.421 5.610 273 3HB ALA 38 3HB ALA 38 -16.613 2.813 4.633 274 H ALA 39 H ALA 39 -13.407 2.454 6.645 275 HA ALA 39 HA ALA 39 -11.709 2.186 4.414 276 1HB ALA 39 1HB ALA 39 -10.961 3.908 5.697 277 2HB ALA 39 2HB ALA 39 -11.599 3.198 7.199 278 3HB ALA 39 3HB ALA 39 -10.043 2.639 6.541 279 H ALA 40 H ALA 40 -9.694 0.912 4.296 280 HA ALA 40 HA ALA 40 -10.180 -1.766 5.298 281 1HB ALA 40 1HB ALA 40 -7.759 -1.233 3.691 282 2HB ALA 40 2HB ALA 40 -9.056 -2.426 3.443 283 3HB ALA 40 3HB ALA 40 -9.277 -0.746 2.900 284 H ALA 41 H ALA 41 -7.284 0.429 5.072 285 HA ALA 41 HA ALA 41 -5.609 -0.816 6.736 286 1HB ALA 41 1HB ALA 41 -5.379 1.879 7.484 287 2HB ALA 41 2HB ALA 41 -4.554 1.078 6.126 288 3HB ALA 41 3HB ALA 41 -6.095 1.926 5.855 289 H ALA 42 H ALA 42 -6.377 -1.984 8.487 290 HA ALA 42 HA ALA 42 -7.945 -0.491 10.460 291 1HB ALA 42 1HB ALA 42 -7.722 -3.339 9.593 292 2HB ALA 42 2HB ALA 42 -8.002 -3.052 11.327 293 3HB ALA 42 3HB ALA 42 -9.147 -2.413 10.123 294 H ALA 43 H ALA 43 -5.571 -3.223 10.687 295 HA ALA 43 HA ALA 43 -4.615 -2.502 13.169 296 1HB ALA 43 1HB ALA 43 -2.959 -3.855 11.019 297 2HB ALA 43 2HB ALA 43 -2.936 -4.134 12.777 298 3HB ALA 43 3HB ALA 43 -4.330 -4.671 11.809 299 H VAL 44 H VAL 44 -4.125 -1.009 10.061 300 HA VAL 44 HA VAL 44 -1.665 0.275 10.921 301 HB VAL 44 HB VAL 44 -3.058 -0.278 8.410 302 1HG1 VAL 44 1HG1 VAL 44 -1.927 1.789 7.323 303 2HG1 VAL 44 2HG1 VAL 44 -3.494 2.001 8.140 304 3HG1 VAL 44 3HG1 VAL 44 -1.991 2.489 8.959 305 1HG2 VAL 44 1HG2 VAL 44 -0.190 0.270 9.225 306 2HG2 VAL 44 2HG2 VAL 44 -0.942 -1.298 8.849 307 3HG2 VAL 44 3HG2 VAL 44 -0.686 -0.101 7.557 308 H ALA 45 H ALA 45 -5.153 0.844 10.589 309 HA ALA 45 HA ALA 45 -5.353 3.527 10.457 310 1HB ALA 45 1HB ALA 45 -7.504 3.201 11.202 311 2HB ALA 45 2HB ALA 45 -7.068 1.503 10.892 312 3HB ALA 45 3HB ALA 45 -6.995 2.152 12.548 313 H ALA 46 H ALA 46 -5.030 1.665 13.570 314 HA ALA 46 HA ALA 46 -4.611 3.991 15.098 315 1HB ALA 46 1HB ALA 46 -5.000 1.211 15.500 316 2HB ALA 46 2HB ALA 46 -3.448 1.613 16.274 317 3HB ALA 46 3HB ALA 46 -4.927 2.488 16.738 318 H ALA 47 H ALA 47 -2.325 1.387 13.986 319 HA ALA 47 HA ALA 47 -0.027 2.653 14.903 320 1HB ALA 47 1HB ALA 47 0.864 0.728 14.156 321 2HB ALA 47 2HB ALA 47 -0.749 0.286 13.546 322 3HB ALA 47 3HB ALA 47 0.412 1.110 12.477 323 H THR 48 H THR 48 1.750 2.943 12.792 324 HA THR 48 HA THR 48 2.481 4.432 11.313 325 HB THR 48 HB THR 48 -0.458 4.359 10.450 326 HG1 THR 48 HG1 THR 48 0.391 2.364 9.941 327 1HG2 THR 48 1HG2 THR 48 1.366 6.232 9.572 328 2HG2 THR 48 2HG2 THR 48 1.747 4.868 8.495 329 3HG2 THR 48 3HG2 THR 48 0.098 5.536 8.536 330 H ALA 49 H ALA 49 2.636 5.579 13.574 331 HA ALA 49 HA ALA 49 0.962 7.607 14.305 332 1HB ALA 49 1HB ALA 49 2.705 8.281 15.686 333 2HB ALA 49 2HB ALA 49 3.204 6.615 15.305 334 3HB ALA 49 3HB ALA 49 3.946 7.985 14.444 335 H ALA 50 H ALA 50 0.499 9.672 13.610 336 HA ALA 50 HA ALA 50 1.500 10.362 10.990 337 1HB ALA 50 1HB ALA 50 -0.338 11.787 10.881 338 2HB ALA 50 2HB ALA 50 -0.941 10.527 11.984 339 3HB ALA 50 3HB ALA 50 -0.353 12.074 12.637 340 H VAL 51 H VAL 51 3.675 10.329 12.624 341 HA VAL 51 HA VAL 51 4.162 13.194 13.039 342 HB VAL 51 HB VAL 51 3.820 11.767 15.141 343 1HG1 VAL 51 1HG1 VAL 51 6.667 10.962 15.011 344 2HG1 VAL 51 2HG1 VAL 51 5.265 10.124 15.717 345 3HG1 VAL 51 3HG1 VAL 51 5.562 10.040 13.964 346 1HG2 VAL 51 1HG2 VAL 51 6.276 13.474 14.664 347 2HG2 VAL 51 2HG2 VAL 51 4.711 13.957 15.361 348 3HG2 VAL 51 3HG2 VAL 51 5.801 12.890 16.277 349 H GLU 52 H GLU 52 4.623 12.243 10.571 350 HA GLU 52 HA GLU 52 6.756 10.785 9.968 351 1HB GLU 52 1HB GLU 52 5.164 12.097 8.424 352 2HB GLU 52 2HB GLU 52 6.241 13.465 8.623 353 1HG GLU 52 1HG GLU 52 8.063 12.351 7.556 354 2HG GLU 52 2HG GLU 52 7.346 10.767 7.776 355 HE2 GLU 52 HE2 GLU 52 7.941 11.157 5.275 356 H GLY 53 H GLY 53 9.041 11.052 9.741 357 1HA GLY 53 1HA GLY 53 11.069 12.051 10.018 358 2HA GLY 53 2HA GLY 53 10.285 13.540 10.506 359 H THR 54 H THR 54 11.590 10.426 11.578 360 HA THR 54 HA THR 54 11.838 11.468 14.255 361 HB THR 54 HB THR 54 10.127 9.002 13.633 362 HG1 THR 54 HG1 THR 54 9.739 11.655 14.832 363 1HG2 THR 54 1HG2 THR 54 11.644 9.685 15.998 364 2HG2 THR 54 2HG2 THR 54 9.923 9.982 16.342 365 3HG2 THR 54 3HG2 THR 54 10.458 8.373 15.802 366 H GLY 55 H GLY 55 13.528 10.545 15.401 367 1HA GLY 55 1HA GLY 55 14.980 8.641 15.713 368 2HA GLY 55 2HA GLY 55 14.978 8.397 13.977 369 H GLY 56 H GLY 56 17.277 8.867 15.842 370 1HA GLY 56 1HA GLY 56 19.145 10.051 14.530 371 2HA GLY 56 2HA GLY 56 18.232 11.495 14.919 372 H SER 57 H SER 57 20.596 9.239 16.017 373 HA SER 57 HA SER 57 21.257 10.766 18.201 374 1HB SER 57 1HB SER 57 19.000 9.447 18.894 375 2HB SER 57 2HB SER 57 20.155 8.184 19.273 376 HG SER 57 HG SER 57 19.538 9.950 20.961 377 H GLY 58 H GLY 58 23.279 10.046 19.084 378 1HA GLY 58 1HA GLY 58 24.229 7.390 18.306 379 2HA GLY 58 2HA GLY 58 25.081 8.775 17.653 380 H GLY 59 H GLY 59 26.718 7.319 19.099 381 1HA GLY 59 1HA GLY 59 26.781 8.589 21.773 382 2HA GLY 59 2HA GLY 59 27.272 6.934 21.473 383 H GLY 60 H GLY 60 29.463 7.082 22.015 384 1HA GLY 60 1HA GLY 60 31.116 8.546 20.096 385 2HA GLY 60 2HA GLY 60 31.291 8.956 21.790 386 HA PRO 61 HA PRO 61 33.944 5.337 20.916 387 1HB PRO 61 1HB PRO 61 36.374 6.468 21.447 388 2HB PRO 61 2HB PRO 61 35.712 6.335 19.830 389 1HG PRO 61 1HG PRO 61 35.916 8.724 21.559 390 2HG PRO 61 2HG PRO 61 35.662 8.641 19.827 391 1HD PRO 61 1HD PRO 61 33.683 9.199 21.827 392 2HD PRO 61 2HD PRO 61 33.409 9.002 20.107 393 H HIS 62 H HIS 62 35.435 4.082 22.367 394 HA HIS 62 HA HIS 62 34.413 4.532 25.043 395 1HB HIS 62 1HB HIS 62 34.623 2.272 23.575 396 2HB HIS 62 2HB HIS 62 36.152 2.201 24.428 397 HD1 HIS 62 HD1 HIS 62 34.291 0.007 25.147 398 HD2 HIS 62 HD2 HIS 62 34.114 3.742 27.050 399 HE1 HIS 62 HE1 HIS 62 33.123 -0.384 27.382 400 H HIS 63 H HIS 63 35.793 6.578 25.117 401 HA HIS 63 HA HIS 63 38.446 6.745 24.950 402 1HB HIS 63 1HB HIS 63 36.383 8.208 26.160 403 2HB HIS 63 2HB HIS 63 37.562 7.971 27.435 404 HD1 HIS 63 HD1 HIS 63 36.822 10.654 25.639 405 HD2 HIS 63 HD2 HIS 63 40.301 8.312 25.535 406 HE1 HIS 63 HE1 HIS 63 38.662 12.148 24.694 407 H HIS 64 H HIS 64 40.257 6.567 26.496 408 HA HIS 64 HA HIS 64 41.520 5.397 27.855 409 1HB HIS 64 1HB HIS 64 40.118 6.426 29.572 410 2HB HIS 64 2HB HIS 64 38.964 5.112 29.459 411 HD1 HIS 64 HD1 HIS 64 42.668 5.595 30.332 412 HD2 HIS 64 HD2 HIS 64 39.435 3.075 31.224 413 HE1 HIS 64 HE1 HIS 64 43.480 4.009 32.158 414 H HIS 65 H HIS 65 42.273 3.628 26.760 415 HA HIS 65 HA HIS 65 41.734 1.126 27.431 416 1HB HIS 65 1HB HIS 65 39.539 2.124 25.749 417 2HB HIS 65 2HB HIS 65 40.254 0.639 25.154 418 HD1 HIS 65 HD1 HIS 65 37.369 1.211 26.692 419 HD2 HIS 65 HD2 HIS 65 40.749 -0.821 28.121 420 HE1 HIS 65 HE1 HIS 65 36.541 -0.344 28.538 421 H GLN 66 H GLN 66 43.938 0.969 26.962 422 HA GLN 66 HA GLN 66 44.535 1.100 24.108 423 1HB GLN 66 1HB GLN 66 45.612 2.834 25.791 424 2HB GLN 66 2HB GLN 66 46.655 1.497 26.230 425 1HG GLN 66 1HG GLN 66 47.855 1.664 24.301 426 2HG GLN 66 2HG GLN 66 46.409 1.726 23.313 427 1HE2 GLN 66 1HE2 GLN 66 49.065 3.393 24.390 428 2HE2 GLN 66 2HE2 GLN 66 48.597 5.021 24.028 429 H THR 67 H THR 67 46.851 -0.203 23.821 430 HA THR 67 HA THR 67 46.184 -2.893 24.210 431 HB THR 67 HB THR 67 48.948 -1.689 23.686 432 HG1 THR 67 HG1 THR 67 48.028 -1.815 21.421 433 1HG2 THR 67 1HG2 THR 67 47.518 -4.286 22.961 434 2HG2 THR 67 2HG2 THR 67 48.888 -3.679 22.000 435 3HG2 THR 67 3HG2 THR 67 49.118 -4.089 23.717 436 H ARG 68 H ARG 68 47.913 -4.466 25.249 437 HA ARG 68 HA ARG 68 48.680 -5.316 27.080 438 1HB ARG 68 1HB ARG 68 50.397 -3.484 26.870 439 2HB ARG 68 2HB ARG 68 49.402 -2.448 27.874 440 1HG ARG 68 1HG ARG 68 49.718 -3.816 29.814 441 2HG ARG 68 2HG ARG 68 50.273 -5.184 28.870 442 1HD ARG 68 1HD ARG 68 52.432 -4.444 28.879 443 2HD ARG 68 2HD ARG 68 51.962 -2.824 28.400 444 HE ARG 68 HE ARG 68 51.173 -3.092 31.097 445 1HH1 ARG 68 2HH2 ARG 68 54.206 -3.174 29.268 446 2HH1 ARG 68 1HH2 ARG 68 55.164 -2.599 30.592 447 1HH2 ARG 68 1HH ARG 68 54.102 -2.113 32.684 448 H GLY 69 H GLY 69 46.950 -6.158 28.247 449 1HA GLY 69 1HA GLY 69 45.654 -4.332 30.179 450 2HA GLY 69 2HA GLY 69 44.739 -5.472 29.213 451 H ALA 70 H ALA 70 47.795 -5.552 31.197 452 HA ALA 70 HA ALA 70 46.718 -7.319 33.095 453 1HB ALA 70 1HB ALA 70 47.184 -9.381 32.298 454 2HB ALA 70 2HB ALA 70 47.303 -8.604 30.701 455 3HB ALA 70 3HB ALA 70 48.770 -8.870 31.673 456 H TYR 71 H TYR 71 47.698 -6.080 34.669 457 HA TYR 71 HA TYR 71 50.550 -5.524 34.351 458 1HB TYR 71 1HB TYR 71 49.971 -4.052 36.393 459 2HB TYR 71 2HB TYR 71 49.068 -3.643 34.948 460 HD1 TYR 71 HD1 TYR 71 46.670 -4.080 34.791 461 HD2 TYR 71 HD2 TYR 71 48.872 -5.145 38.301 462 HE1 TYR 71 HE1 TYR 71 44.495 -4.383 36.072 463 HE2 TYR 71 HE2 TYR 71 46.690 -5.444 39.571 464 HH TYR 71 HH TYR 71 43.572 -4.984 37.929 465 H SER 72 H SER 72 49.942 -8.259 34.783 466 HA SER 72 HA SER 72 50.585 -8.549 37.610 467 1HB SER 72 1HB SER 72 49.277 -10.429 35.610 468 2HB SER 72 2HB SER 72 49.919 -11.014 37.132 469 HG SER 72 HG SER 72 47.517 -10.187 36.864 470 H SER 73 H SER 73 52.195 -10.325 38.139 471 HA SER 73 HA SER 73 54.142 -11.261 37.937 472 1HB SER 73 1HB SER 73 52.913 -11.723 35.310 473 2HB SER 73 2HB SER 73 54.661 -11.676 35.199 474 HG SER 73 HG SER 73 54.745 -13.606 36.107 475 H HIS 74 H HIS 74 56.208 -10.389 38.047 476 HA HIS 74 HA HIS 74 56.614 -7.950 36.485 477 1HB HIS 74 1HB HIS 74 57.447 -8.830 39.219 478 2HB HIS 74 2HB HIS 74 58.518 -7.757 38.340 479 HD1 HIS 74 HD1 HIS 74 56.643 -7.136 40.955 480 HD2 HIS 74 HD2 HIS 74 56.053 -5.862 37.002 481 HE1 HIS 74 HE1 HIS 74 55.187 -5.045 41.087 482 H ASP 75 H ASP 75 58.139 -7.931 34.901 483 HA ASP 75 HA ASP 75 59.599 -8.722 33.492 484 1HB ASP 75 1HB ASP 75 60.867 -8.353 35.955 485 2HB ASP 75 2HB ASP 75 61.387 -9.965 35.505 486 HD2 ASP 75 HD2 ASP 75 63.520 -7.415 34.905 Start of MODEL 17 1 H MET 1 H MET 1 -34.436 -30.616 -7.665 2 HA MET 1 HA MET 1 -36.885 -30.816 -6.142 3 1HB MET 1 1HB MET 1 -34.216 -31.694 -5.250 4 2HB MET 1 2HB MET 1 -34.819 -30.415 -4.215 5 1HG MET 1 1HG MET 1 -35.877 -32.154 -3.136 6 2HG MET 1 2HG MET 1 -37.083 -31.930 -4.388 7 1HE MET 1 1HE MET 1 -36.917 -35.760 -4.068 8 2HE MET 1 2HE MET 1 -36.061 -34.948 -2.736 9 3HE MET 1 3HE MET 1 -37.570 -34.255 -3.377 10 H GLU 2 H GLU 2 -37.105 -28.906 -4.575 11 HA GLU 2 HA GLU 2 -36.849 -26.573 -5.904 12 1HB GLU 2 1HB GLU 2 -37.454 -25.482 -3.848 13 2HB GLU 2 2HB GLU 2 -38.228 -27.054 -3.827 14 1HG GLU 2 1HG GLU 2 -35.603 -27.374 -2.684 15 2HG GLU 2 2HG GLU 2 -36.327 -25.962 -1.941 16 HE2 GLU 2 HE2 GLU 2 -37.195 -27.966 0.260 17 H VAL 3 H VAL 3 -35.554 -24.541 -5.002 18 HA VAL 3 HA VAL 3 -32.774 -25.276 -5.229 19 HB VAL 3 HB VAL 3 -34.141 -22.585 -5.020 20 1HG1 VAL 3 1HG1 VAL 3 -31.314 -23.324 -5.848 21 2HG1 VAL 3 2HG1 VAL 3 -32.035 -21.702 -5.977 22 3HG1 VAL 3 3HG1 VAL 3 -31.796 -22.445 -4.377 23 1HG2 VAL 3 1HG2 VAL 3 -34.730 -22.786 -7.161 24 2HG2 VAL 3 2HG2 VAL 3 -33.053 -23.169 -7.621 25 3HG2 VAL 3 3HG2 VAL 3 -34.163 -24.473 -7.134 26 H ALA 4 H ALA 4 -31.133 -24.273 -3.722 27 HA ALA 4 HA ALA 4 -31.774 -24.994 -1.072 28 1HB ALA 4 1HB ALA 4 -29.475 -24.177 -0.614 29 2HB ALA 4 2HB ALA 4 -29.530 -25.235 -2.044 30 3HB ALA 4 3HB ALA 4 -29.412 -23.471 -2.246 31 H MET 5 H MET 5 -33.574 -23.755 -0.371 32 HA MET 5 HA MET 5 -32.805 -21.146 0.521 33 1HB MET 5 1HB MET 5 -34.258 -21.417 -1.901 34 2HB MET 5 2HB MET 5 -35.493 -21.043 -0.716 35 1HG MET 5 1HG MET 5 -34.888 -18.864 -1.098 36 2HG MET 5 2HG MET 5 -33.568 -19.212 0.001 37 1HE MET 5 1HE MET 5 -33.615 -18.405 -4.372 38 2HE MET 5 2HE MET 5 -34.867 -18.293 -3.112 39 3HE MET 5 3HE MET 5 -33.533 -17.116 -3.149 40 H VAL 6 H VAL 6 -32.999 -22.156 2.616 41 HA VAL 6 HA VAL 6 -35.729 -22.966 3.311 42 HB VAL 6 HB VAL 6 -33.625 -24.457 3.601 43 1HG1 VAL 6 1HG1 VAL 6 -32.394 -24.185 5.657 44 2HG1 VAL 6 2HG1 VAL 6 -32.287 -22.669 4.731 45 3HG1 VAL 6 3HG1 VAL 6 -33.389 -22.785 6.124 46 1HG2 VAL 6 1HG2 VAL 6 -34.958 -25.703 4.903 47 2HG2 VAL 6 2HG2 VAL 6 -34.968 -24.485 6.201 48 3HG2 VAL 6 3HG2 VAL 6 -36.106 -24.344 4.839 49 H SER 7 H SER 7 -35.612 -22.575 6.086 50 HA SER 7 HA SER 7 -34.710 -19.945 6.619 51 1HB SER 7 1HB SER 7 -37.726 -20.382 6.623 52 2HB SER 7 2HB SER 7 -36.881 -18.894 7.001 53 HG SER 7 HG SER 7 -36.160 -18.760 4.804 54 H ALA 8 H ALA 8 -33.627 -21.207 8.296 55 HA ALA 8 HA ALA 8 -35.184 -22.738 10.133 56 1HB ALA 8 1HB ALA 8 -33.052 -23.570 10.059 57 2HB ALA 8 2HB ALA 8 -32.329 -21.982 9.706 58 3HB ALA 8 3HB ALA 8 -32.803 -22.394 11.372 59 H GLU 9 H GLU 9 -36.769 -20.821 10.404 60 HA GLU 9 HA GLU 9 -36.154 -19.655 12.905 61 1HB GLU 9 1HB GLU 9 -35.099 -18.118 11.043 62 2HB GLU 9 2HB GLU 9 -36.753 -17.629 10.733 63 1HG GLU 9 1HG GLU 9 -36.989 -16.578 12.809 64 2HG GLU 9 2HG GLU 9 -35.839 -17.636 13.602 65 HE2 GLU 9 HE2 GLU 9 -33.459 -15.364 13.466 66 H SER 10 H SER 10 -38.090 -18.514 13.831 67 HA SER 10 HA SER 10 -40.496 -19.319 12.390 68 1HB SER 10 1HB SER 10 -39.686 -19.703 15.255 69 2HB SER 10 2HB SER 10 -41.372 -19.329 14.954 70 HG SER 10 HG SER 10 -40.242 -21.313 13.279 71 H SER 11 H SER 11 -40.428 -17.099 11.461 72 HA SER 11 HA SER 11 -42.104 -15.384 12.760 73 1HB SER 11 1HB SER 11 -39.319 -15.086 13.616 74 2HB SER 11 2HB SER 11 -39.901 -13.612 12.868 75 HG SER 11 HG SER 11 -41.907 -14.136 14.367 76 H GLY 12 H GLY 12 -43.071 -14.723 10.872 77 1HA GLY 12 1HA GLY 12 -41.330 -14.056 8.588 78 2HA GLY 12 2HA GLY 12 -43.016 -14.529 8.509 79 H CYS 13 H CYS 13 -44.307 -12.852 7.909 80 HA CYS 13 HA CYS 13 -44.221 -10.438 9.421 81 1HB CYS 13 1HB CYS 13 -42.406 -10.268 7.521 82 2HB CYS 13 2HB CYS 13 -43.788 -10.002 6.476 83 HG CYS 13 HG CYS 13 -42.238 -8.046 8.295 84 H ASN 14 H ASN 14 -46.315 -11.838 9.679 85 HA ASN 14 HA ASN 14 -48.097 -11.290 7.444 86 1HB ASN 14 1HB ASN 14 -47.727 -13.584 9.210 87 2HB ASN 14 2HB ASN 14 -49.364 -12.986 9.388 88 1HD2 ASN 14 1HD2 ASN 14 -50.437 -14.553 8.347 89 2HD2 ASN 14 2HD2 ASN 14 -50.294 -14.919 6.660 90 H SER 15 H SER 15 -47.154 -9.433 9.689 91 HA SER 15 HA SER 15 -49.585 -8.245 10.227 92 1HB SER 15 1HB SER 15 -49.359 -10.396 11.884 93 2HB SER 15 2HB SER 15 -48.516 -9.205 12.855 94 HG SER 15 HG SER 15 -50.496 -7.793 12.390 95 H HIS 16 H HIS 16 -48.609 -6.273 9.760 96 HA HIS 16 HA HIS 16 -46.236 -5.616 11.345 97 1HB HIS 16 1HB HIS 16 -45.903 -3.849 9.541 98 2HB HIS 16 2HB HIS 16 -45.605 -5.519 9.100 99 HD1 HIS 16 HD1 HIS 16 -48.733 -3.276 9.041 100 HD2 HIS 16 HD2 HIS 16 -46.636 -5.994 6.631 101 HE1 HIS 16 HE1 HIS 16 -50.026 -3.431 6.846 102 H MET 17 H MET 17 -48.342 -5.432 12.915 103 HA MET 17 HA MET 17 -49.843 -3.082 12.580 104 1HB MET 17 1HB MET 17 -49.719 -5.362 14.344 105 2HB MET 17 2HB MET 17 -49.640 -3.940 15.365 106 1HG MET 17 1HG MET 17 -51.697 -3.030 14.263 107 2HG MET 17 2HG MET 17 -51.773 -4.445 13.232 108 1HE MET 17 1HE MET 17 -52.643 -4.223 17.729 109 2HE MET 17 2HE MET 17 -50.998 -3.896 17.133 110 3HE MET 17 3HE MET 17 -52.355 -2.872 16.607 111 HA PRO 18 HA PRO 18 -46.766 -1.369 15.761 112 1HB PRO 18 1HB PRO 18 -44.510 -2.781 16.382 113 2HB PRO 18 2HB PRO 18 -45.973 -2.840 17.346 114 1HG PRO 18 1HG PRO 18 -44.902 -4.865 15.478 115 2HG PRO 18 2HG PRO 18 -46.096 -5.063 16.744 116 1HD PRO 18 1HD PRO 18 -46.596 -4.892 13.925 117 2HD PRO 18 2HD PRO 18 -47.797 -4.973 15.200 118 H TYR 19 H TYR 19 -44.412 -0.401 15.810 119 HA TYR 19 HA TYR 19 -44.029 0.716 13.329 120 1HB TYR 19 1HB TYR 19 -42.413 0.174 15.856 121 2HB TYR 19 2HB TYR 19 -41.559 0.863 14.490 122 HD1 TYR 19 HD1 TYR 19 -41.207 3.136 14.735 123 HD2 TYR 19 HD2 TYR 19 -44.919 1.478 16.070 124 HE1 TYR 19 HE1 TYR 19 -42.007 5.452 15.411 125 HE2 TYR 19 HE2 TYR 19 -45.706 3.800 16.741 126 HH TYR 19 HH TYR 19 -44.525 6.489 15.646 127 H GLY 20 H GLY 20 -41.870 0.572 12.042 128 1HA GLY 20 1HA GLY 20 -40.693 -2.071 11.926 129 2HA GLY 20 2HA GLY 20 -41.727 -1.673 10.568 130 H TYR 21 H TYR 21 -40.921 -0.426 8.901 131 HA TYR 21 HA TYR 21 -38.210 0.041 8.700 132 1HB TYR 21 1HB TYR 21 -40.811 0.843 7.401 133 2HB TYR 21 2HB TYR 21 -39.464 1.899 7.025 134 HD1 TYR 21 HD1 TYR 21 -40.650 -1.619 6.835 135 HD2 TYR 21 HD2 TYR 21 -37.770 1.241 5.480 136 HE1 TYR 21 HE1 TYR 21 -39.864 -3.246 5.046 137 HE2 TYR 21 HE2 TYR 21 -36.994 -0.396 3.696 138 HH TYR 21 HH TYR 21 -38.005 -3.687 3.708 139 H ALA 22 H ALA 22 -40.659 1.863 10.406 140 HA ALA 22 HA ALA 22 -39.186 4.337 10.302 141 1HB ALA 22 1HB ALA 22 -41.315 5.007 10.622 142 2HB ALA 22 2HB ALA 22 -41.828 3.379 11.125 143 3HB ALA 22 3HB ALA 22 -41.119 4.496 12.316 144 H ALA 23 H ALA 23 -39.069 1.366 12.056 145 HA ALA 23 HA ALA 23 -37.967 2.608 14.437 146 1HB ALA 23 1HB ALA 23 -38.879 -0.134 13.601 147 2HB ALA 23 2HB ALA 23 -37.722 0.013 14.947 148 3HB ALA 23 3HB ALA 23 -39.308 0.816 15.044 149 H GLN 24 H GLN 24 -36.758 2.569 11.541 150 HA GLN 24 HA GLN 24 -34.450 0.962 11.840 151 1HB GLN 24 1HB GLN 24 -33.853 1.723 9.687 152 2HB GLN 24 2HB GLN 24 -35.605 1.754 9.655 153 1HG GLN 24 1HG GLN 24 -34.946 4.284 10.674 154 2HG GLN 24 2HG GLN 24 -33.688 3.995 9.488 155 1HE2 GLN 24 1HE2 GLN 24 -36.763 5.115 9.991 156 2HE2 GLN 24 2HE2 GLN 24 -37.392 5.083 8.378 157 H ALA 25 H ALA 25 -35.409 3.698 13.460 158 HA ALA 25 HA ALA 25 -33.203 5.396 13.301 159 1HB ALA 25 1HB ALA 25 -34.103 5.874 15.778 160 2HB ALA 25 2HB ALA 25 -35.014 6.378 14.334 161 3HB ALA 25 3HB ALA 25 -35.468 4.889 15.198 162 H ARG 26 H ARG 26 -33.603 2.216 14.678 163 HA ARG 26 HA ARG 26 -31.648 2.492 16.671 164 1HB ARG 26 1HB ARG 26 -33.534 0.559 15.939 165 2HB ARG 26 2HB ARG 26 -32.020 -0.231 15.545 166 1HG ARG 26 1HG ARG 26 -31.193 0.420 17.891 167 2HG ARG 26 2HG ARG 26 -32.831 0.932 18.247 168 1HD ARG 26 1HD ARG 26 -32.769 -1.758 17.041 169 2HD ARG 26 2HD ARG 26 -31.809 -1.681 18.505 170 HE ARG 26 HE ARG 26 -34.118 -0.387 19.259 171 1HH1 ARG 26 2HH2 ARG 26 -33.533 -3.516 17.703 172 2HH1 ARG 26 1HH2 ARG 26 -34.951 -4.253 18.370 173 1HH2 ARG 26 1HH ARG 26 -36.380 -2.966 19.800 174 H ALA 27 H ALA 27 -31.657 1.725 13.198 175 HA ALA 27 HA ALA 27 -29.072 0.568 13.124 176 1HB ALA 27 1HB ALA 27 -29.418 0.490 10.809 177 2HB ALA 27 2HB ALA 27 -31.080 0.457 11.445 178 3HB ALA 27 3HB ALA 27 -30.402 1.973 10.805 179 H ARG 28 H ARG 28 -30.388 3.870 13.090 180 HA ARG 28 HA ARG 28 -28.196 5.120 11.982 181 1HB ARG 28 1HB ARG 28 -30.669 5.914 12.922 182 2HB ARG 28 2HB ARG 28 -29.629 6.583 14.163 183 1HG ARG 28 1HG ARG 28 -29.483 8.346 12.690 184 2HG ARG 28 2HG ARG 28 -28.212 7.368 11.982 185 1HD ARG 28 1HD ARG 28 -29.572 6.642 10.192 186 2HD ARG 28 2HD ARG 28 -31.062 6.908 11.075 187 HE ARG 28 HE ARG 28 -29.616 9.396 10.659 188 1HH1 ARG 28 2HH2 ARG 28 -31.782 7.085 9.071 189 2HH1 ARG 28 1HH2 ARG 28 -32.414 8.252 7.958 190 1HH2 ARG 28 1HH ARG 28 -31.618 10.511 8.048 191 H GLU 29 H GLU 29 -28.852 3.856 15.239 192 HA GLU 29 HA GLU 29 -26.684 5.290 16.410 193 1HB GLU 29 1HB GLU 29 -28.970 3.870 17.339 194 2HB GLU 29 2HB GLU 29 -27.584 3.011 17.982 195 1HG GLU 29 1HG GLU 29 -27.365 5.973 18.165 196 2HG GLU 29 2HG GLU 29 -28.689 5.298 19.094 197 HE2 GLU 29 HE2 GLU 29 -25.760 5.518 21.049 198 H ARG 30 H ARG 30 -27.195 2.249 14.726 199 HA ARG 30 HA ARG 30 -24.766 1.145 15.782 200 1HB ARG 30 1HB ARG 30 -27.082 0.170 14.167 201 2HB ARG 30 2HB ARG 30 -25.546 -0.558 13.741 202 1HG ARG 30 1HG ARG 30 -25.854 -0.407 16.654 203 2HG ARG 30 2HG ARG 30 -27.207 -1.252 15.928 204 1HD ARG 30 1HD ARG 30 -25.634 -2.769 14.724 205 2HD ARG 30 2HD ARG 30 -24.266 -1.907 15.400 206 HE ARG 30 HE ARG 30 -26.017 -3.802 16.813 207 1HH1 ARG 30 2HH2 ARG 30 -23.612 -1.225 17.168 208 2HH1 ARG 30 1HH2 ARG 30 -23.157 -1.700 18.770 209 1HH2 ARG 30 1HH ARG 30 -24.232 -3.587 19.785 210 H GLU 31 H GLU 31 -26.011 2.865 12.946 211 HA GLU 31 HA GLU 31 -24.123 2.115 11.092 212 1HB GLU 31 1HB GLU 31 -26.298 3.832 11.166 213 2HB GLU 31 2HB GLU 31 -24.968 4.957 10.970 214 1HG GLU 31 1HG GLU 31 -25.079 4.462 8.749 215 2HG GLU 31 2HG GLU 31 -24.283 2.957 9.165 216 HE2 GLU 31 HE2 GLU 31 -25.408 1.188 9.000 217 H ARG 32 H ARG 32 -23.889 4.195 13.922 218 HA ARG 32 HA ARG 32 -21.807 5.800 13.139 219 1HB ARG 32 1HB ARG 32 -23.221 5.168 15.563 220 2HB ARG 32 2HB ARG 32 -21.512 5.061 15.936 221 1HG ARG 32 1HG ARG 32 -22.201 7.419 14.273 222 2HG ARG 32 2HG ARG 32 -23.000 7.417 15.833 223 1HD ARG 32 1HD ARG 32 -21.055 7.859 16.949 224 2HD ARG 32 2HD ARG 32 -20.172 6.626 16.071 225 HE ARG 32 HE ARG 32 -19.527 8.233 14.447 226 1HH1 ARG 32 2HH2 ARG 32 -21.832 9.638 16.743 227 2HH1 ARG 32 1HH2 ARG 32 -21.538 11.267 16.232 228 1HH2 ARG 32 1HH ARG 32 -19.951 11.681 14.484 229 H LEU 33 H LEU 33 -21.921 2.396 14.140 230 HA LEU 33 HA LEU 33 -19.038 2.286 14.452 231 1HB LEU 33 1HB LEU 33 -21.207 0.935 15.581 232 2HB LEU 33 2HB LEU 33 -20.444 -0.247 14.537 233 HG LEU 33 HG LEU 33 -18.307 0.938 15.897 234 1HD1 LEU 33 1HD1 LEU 33 -18.821 1.374 18.047 235 2HD1 LEU 33 2HD1 LEU 33 -20.436 1.704 17.377 236 3HD1 LEU 33 3HD1 LEU 33 -20.086 0.124 18.117 237 1HD2 LEU 33 1HD2 LEU 33 -18.151 -1.258 17.028 238 2HD2 LEU 33 2HD2 LEU 33 -19.772 -1.664 16.414 239 3HD2 LEU 33 3HD2 LEU 33 -18.430 -1.393 15.275 240 H ALA 34 H ALA 34 -21.403 2.093 11.975 241 HA ALA 34 HA ALA 34 -19.980 0.155 10.390 242 1HB ALA 34 1HB ALA 34 -22.522 0.584 10.461 243 2HB ALA 34 2HB ALA 34 -22.182 2.032 9.483 244 3HB ALA 34 3HB ALA 34 -21.770 0.417 8.856 245 H HIS 35 H HIS 35 -19.141 3.150 11.385 246 HA HIS 35 HA HIS 35 -18.387 4.173 8.784 247 1HB HIS 35 1HB HIS 35 -19.081 5.326 11.257 248 2HB HIS 35 2HB HIS 35 -17.375 5.669 11.053 249 HD1 HIS 35 HD1 HIS 35 -19.330 8.004 10.945 250 HD2 HIS 35 HD2 HIS 35 -18.154 5.841 7.549 251 HE1 HIS 35 HE1 HIS 35 -19.723 9.541 8.947 252 H SER 36 H SER 36 -17.194 2.028 11.159 253 HA SER 36 HA SER 36 -14.446 2.736 10.688 254 1HB SER 36 1HB SER 36 -15.825 0.657 12.426 255 2HB SER 36 2HB SER 36 -14.086 0.661 12.213 256 HG SER 36 HG SER 36 -15.692 2.833 13.264 257 H ARG 37 H ARG 37 -16.936 0.665 9.410 258 HA ARG 37 HA ARG 37 -15.048 -1.221 8.364 259 1HB ARG 37 1HB ARG 37 -17.690 -1.438 9.111 260 2HB ARG 37 2HB ARG 37 -17.879 -1.228 7.382 261 1HG ARG 37 1HG ARG 37 -15.722 -3.084 7.752 262 2HG ARG 37 2HG ARG 37 -17.005 -3.583 8.838 263 1HD ARG 37 1HD ARG 37 -18.634 -3.495 6.913 264 2HD ARG 37 2HD ARG 37 -17.318 -3.063 5.840 265 HE ARG 37 HE ARG 37 -17.858 -5.714 6.963 266 1HH1 ARG 37 2HH2 ARG 37 -15.363 -3.631 5.552 267 2HH1 ARG 37 1HH2 ARG 37 -14.371 -4.956 5.040 268 1HH2 ARG 37 1HH ARG 37 -15.089 -7.199 5.482 269 H ALA 38 H ALA 38 -15.448 1.848 7.611 270 HA ALA 38 HA ALA 38 -16.040 1.579 4.782 271 1HB ALA 38 1HB ALA 38 -15.503 3.915 6.649 272 2HB ALA 38 2HB ALA 38 -15.693 4.106 4.890 273 3HB ALA 38 3HB ALA 38 -17.037 3.466 5.865 274 H ALA 39 H ALA 39 -13.932 -0.010 5.153 275 HA ALA 39 HA ALA 39 -11.419 0.891 5.411 276 1HB ALA 39 1HB ALA 39 -12.731 -1.181 3.676 277 2HB ALA 39 2HB ALA 39 -11.003 -0.835 3.424 278 3HB ALA 39 3HB ALA 39 -11.578 -1.382 5.017 279 H ALA 40 H ALA 40 -9.978 2.201 4.338 280 HA ALA 40 HA ALA 40 -10.751 4.198 2.729 281 1HB ALA 40 1HB ALA 40 -8.481 4.606 2.408 282 2HB ALA 40 2HB ALA 40 -8.443 3.534 3.827 283 3HB ALA 40 3HB ALA 40 -8.091 2.881 2.209 284 H ALA 41 H ALA 41 -9.177 1.170 1.456 285 HA ALA 41 HA ALA 41 -9.417 1.561 -1.173 286 1HB ALA 41 1HB ALA 41 -10.143 -1.023 0.266 287 2HB ALA 41 2HB ALA 41 -9.521 -0.865 -1.394 288 3HB ALA 41 3HB ALA 41 -8.481 -0.448 -0.011 289 H ALA 42 H ALA 42 -11.126 2.742 -2.014 290 HA ALA 42 HA ALA 42 -13.808 1.674 -1.496 291 1HB ALA 42 1HB ALA 42 -12.646 4.375 -2.007 292 2HB ALA 42 2HB ALA 42 -14.237 4.043 -2.734 293 3HB ALA 42 3HB ALA 42 -14.014 3.894 -0.974 294 H ALA 43 H ALA 43 -12.275 3.489 -4.239 295 HA ALA 43 HA ALA 43 -13.817 2.310 -6.196 296 1HB ALA 43 1HB ALA 43 -12.488 4.366 -6.476 297 2HB ALA 43 2HB ALA 43 -10.985 3.420 -6.359 298 3HB ALA 43 3HB ALA 43 -12.086 3.176 -7.737 299 H VAL 44 H VAL 44 -11.222 0.987 -4.289 300 HA VAL 44 HA VAL 44 -10.647 -1.071 -6.257 301 HB VAL 44 HB VAL 44 -9.372 0.084 -3.893 302 1HG1 VAL 44 1HG1 VAL 44 -9.956 -2.091 -2.914 303 2HG1 VAL 44 2HG1 VAL 44 -9.204 -2.922 -4.297 304 3HG1 VAL 44 3HG1 VAL 44 -8.202 -1.956 -3.187 305 1HG2 VAL 44 1HG2 VAL 44 -8.735 -0.303 -6.530 306 2HG2 VAL 44 2HG2 VAL 44 -7.568 0.085 -5.243 307 3HG2 VAL 44 3HG2 VAL 44 -7.813 -1.606 -5.741 308 H ALA 45 H ALA 45 -12.485 -0.484 -3.277 309 HA ALA 45 HA ALA 45 -12.844 -2.943 -2.244 310 1HB ALA 45 1HB ALA 45 -14.839 -2.096 -1.314 311 2HB ALA 45 2HB ALA 45 -13.876 -0.636 -1.645 312 3HB ALA 45 3HB ALA 45 -15.194 -1.102 -2.747 313 H ALA 46 H ALA 46 -14.785 -1.543 -4.984 314 HA ALA 46 HA ALA 46 -16.092 -4.009 -5.481 315 1HB ALA 46 1HB ALA 46 -15.762 -1.603 -7.314 316 2HB ALA 46 2HB ALA 46 -17.045 -2.835 -7.368 317 3HB ALA 46 3HB ALA 46 -16.960 -1.697 -6.001 318 H ALA 47 H ALA 47 -13.376 -2.205 -7.070 319 HA ALA 47 HA ALA 47 -12.934 -4.056 -9.096 320 1HB ALA 47 1HB ALA 47 -11.580 -2.345 -9.631 321 2HB ALA 47 2HB ALA 47 -11.709 -1.680 -7.985 322 3HB ALA 47 3HB ALA 47 -10.456 -2.886 -8.362 323 H THR 48 H THR 48 -10.540 -5.166 -9.149 324 HA THR 48 HA THR 48 -9.657 -7.154 -8.538 325 HB THR 48 HB THR 48 -8.553 -5.049 -7.268 326 HG1 THR 48 HG1 THR 48 -7.374 -6.943 -7.843 327 1HG2 THR 48 1HG2 THR 48 -8.921 -6.888 -4.914 328 2HG2 THR 48 2HG2 THR 48 -8.596 -5.138 -4.938 329 3HG2 THR 48 3HG2 THR 48 -10.242 -5.742 -5.248 330 H ALA 49 H ALA 49 -12.555 -7.046 -8.106 331 HA ALA 49 HA ALA 49 -13.401 -7.947 -5.681 332 1HB ALA 49 1HB ALA 49 -14.240 -8.652 -8.513 333 2HB ALA 49 2HB ALA 49 -15.141 -9.198 -7.078 334 3HB ALA 49 3HB ALA 49 -14.971 -7.458 -7.413 335 H ALA 50 H ALA 50 -13.110 -10.351 -8.349 336 HA ALA 50 HA ALA 50 -12.305 -12.320 -6.395 337 1HB ALA 50 1HB ALA 50 -13.936 -12.391 -8.576 338 2HB ALA 50 2HB ALA 50 -12.420 -12.991 -9.291 339 3HB ALA 50 3HB ALA 50 -13.137 -13.827 -7.893 340 H VAL 51 H VAL 51 -10.344 -10.436 -6.393 341 HA VAL 51 HA VAL 51 -8.144 -11.932 -7.509 342 HB VAL 51 HB VAL 51 -8.757 -9.089 -8.333 343 1HG1 VAL 51 1HG1 VAL 51 -6.196 -10.568 -8.173 344 2HG1 VAL 51 2HG1 VAL 51 -6.507 -9.741 -9.718 345 3HG1 VAL 51 3HG1 VAL 51 -6.516 -8.817 -8.196 346 1HG2 VAL 51 1HG2 VAL 51 -8.600 -11.721 -9.811 347 2HG2 VAL 51 2HG2 VAL 51 -9.924 -10.533 -9.779 348 3HG2 VAL 51 3HG2 VAL 51 -8.416 -10.161 -10.647 349 H GLU 52 H GLU 52 -8.501 -12.081 -4.964 350 HA GLU 52 HA GLU 52 -7.100 -9.816 -3.780 351 1HB GLU 52 1HB GLU 52 -9.476 -10.987 -2.995 352 2HB GLU 52 2HB GLU 52 -8.330 -11.825 -1.968 353 1HG GLU 52 1HG GLU 52 -7.356 -9.430 -1.476 354 2HG GLU 52 2HG GLU 52 -8.867 -8.840 -2.139 355 HE2 GLU 52 HE2 GLU 52 -8.019 -9.510 1.175 356 H GLY 53 H GLY 53 -5.936 -10.791 -1.553 357 1HA GLY 53 1HA GLY 53 -3.622 -12.006 -2.356 358 2HA GLY 53 2HA GLY 53 -4.257 -12.040 -0.723 359 H THR 54 H THR 54 -6.287 -13.676 -0.517 360 HA THR 54 HA THR 54 -6.597 -15.895 -0.221 361 HB THR 54 HB THR 54 -7.665 -16.779 -2.179 362 HG1 THR 54 HG1 THR 54 -5.935 -14.931 -3.656 363 1HG2 THR 54 1HG2 THR 54 -8.743 -14.887 -3.308 364 2HG2 THR 54 2HG2 THR 54 -8.568 -14.465 -1.588 365 3HG2 THR 54 3HG2 THR 54 -7.444 -13.787 -2.789 366 H GLY 55 H GLY 55 -4.120 -15.750 0.491 367 1HA GLY 55 1HA GLY 55 -2.794 -17.930 -0.999 368 2HA GLY 55 2HA GLY 55 -1.917 -16.499 -0.496 369 H GLY 56 H GLY 56 -4.256 -18.882 0.961 370 1HA GLY 56 1HA GLY 56 -2.363 -19.230 3.190 371 2HA GLY 56 2HA GLY 56 -4.029 -18.799 3.520 372 H SER 57 H SER 57 -4.351 -20.822 4.664 373 HA SER 57 HA SER 57 -4.715 -23.021 2.791 374 1HB SER 57 1HB SER 57 -3.531 -23.166 5.597 375 2HB SER 57 2HB SER 57 -4.067 -24.576 4.705 376 HG SER 57 HG SER 57 -2.293 -22.823 3.346 377 H GLY 58 H GLY 58 -6.425 -24.590 3.501 378 1HA GLY 58 1HA GLY 58 -8.105 -23.878 5.728 379 2HA GLY 58 2HA GLY 58 -8.802 -23.465 4.174 380 H GLY 59 H GLY 59 -8.056 -26.025 6.427 381 1HA GLY 59 1HA GLY 59 -9.816 -27.867 5.721 382 2HA GLY 59 2HA GLY 59 -8.595 -28.145 4.495 383 H GLY 60 H GLY 60 -9.243 -30.146 6.373 384 1HA GLY 60 1HA GLY 60 -6.668 -30.691 7.473 385 2HA GLY 60 2HA GLY 60 -7.812 -30.245 8.723 386 HA PRO 61 HA PRO 61 -8.403 -34.664 7.403 387 1HB PRO 61 1HB PRO 61 -6.947 -36.017 9.278 388 2HB PRO 61 2HB PRO 61 -6.352 -35.675 7.665 389 1HG PRO 61 1HG PRO 61 -5.620 -34.385 10.222 390 2HG PRO 61 2HG PRO 61 -4.757 -34.367 8.697 391 1HD PRO 61 1HD PRO 61 -6.345 -32.246 9.797 392 2HD PRO 61 2HD PRO 61 -5.579 -32.273 8.221 393 H HIS 62 H HIS 62 -9.193 -36.621 8.898 394 HA HIS 62 HA HIS 62 -10.646 -35.356 11.092 395 1HB HIS 62 1HB HIS 62 -11.928 -35.718 8.798 396 2HB HIS 62 2HB HIS 62 -12.054 -37.367 9.376 397 HD1 HIS 62 HD1 HIS 62 -13.753 -37.859 11.221 398 HD2 HIS 62 HD2 HIS 62 -13.260 -33.761 10.474 399 HE1 HIS 62 HE1 HIS 62 -15.602 -36.669 12.516 400 H HIS 63 H HIS 63 -10.351 -36.459 12.964 401 HA HIS 63 HA HIS 63 -8.686 -38.510 13.302 402 1HB HIS 63 1HB HIS 63 -10.021 -37.070 14.996 403 2HB HIS 63 2HB HIS 63 -11.215 -38.352 14.935 404 HD1 HIS 63 HD1 HIS 63 -10.932 -39.642 17.058 405 HD2 HIS 63 HD2 HIS 63 -7.254 -38.740 15.254 406 HE1 HIS 63 HE1 HIS 63 -9.145 -40.802 18.462 407 H HIS 64 H HIS 64 -8.793 -40.818 13.476 408 HA HIS 64 HA HIS 64 -11.166 -42.219 12.940 409 1HB HIS 64 1HB HIS 64 -10.134 -41.140 10.641 410 2HB HIS 64 2HB HIS 64 -9.357 -42.711 10.659 411 HD1 HIS 64 HD1 HIS 64 -10.697 -44.608 9.718 412 HD2 HIS 64 HD2 HIS 64 -13.114 -41.391 10.901 413 HE1 HIS 64 HE1 HIS 64 -13.073 -45.198 8.999 414 H HIS 65 H HIS 65 -10.879 -44.486 13.278 415 HA HIS 65 HA HIS 65 -8.693 -45.974 13.170 416 1HB HIS 65 1HB HIS 65 -8.342 -43.985 15.296 417 2HB HIS 65 2HB HIS 65 -8.140 -45.630 15.864 418 HD1 HIS 65 HD1 HIS 65 -5.567 -44.748 16.177 419 HD2 HIS 65 HD2 HIS 65 -6.911 -45.325 12.245 420 HE1 HIS 65 HE1 HIS 65 -3.478 -44.869 14.717 421 H GLN 66 H GLN 66 -9.698 -47.912 13.293 422 HA GLN 66 HA GLN 66 -12.153 -48.216 14.507 423 1HB GLN 66 1HB GLN 66 -11.851 -50.626 14.058 424 2HB GLN 66 2HB GLN 66 -11.331 -49.667 12.687 425 1HG GLN 66 1HG GLN 66 -9.050 -49.945 14.403 426 2HG GLN 66 2HG GLN 66 -9.784 -51.532 14.287 427 1HE2 GLN 66 1HE2 GLN 66 -10.043 -52.530 12.274 428 2HE2 GLN 66 2HE2 GLN 66 -9.107 -52.084 10.887 429 H THR 67 H THR 67 -12.467 -50.219 16.177 430 HA THR 67 HA THR 67 -11.386 -49.296 18.619 431 HB THR 67 HB THR 67 -12.518 -51.650 19.274 432 HG1 THR 67 HG1 THR 67 -12.595 -52.334 17.020 433 1HG2 THR 67 1HG2 THR 67 -14.676 -50.590 19.355 434 2HG2 THR 67 2HG2 THR 67 -13.517 -49.251 19.533 435 3HG2 THR 67 3HG2 THR 67 -14.299 -49.548 17.962 436 H ARG 68 H ARG 68 -10.466 -51.092 20.223 437 HA ARG 68 HA ARG 68 -8.839 -53.044 19.193 438 1HB ARG 68 1HB ARG 68 -7.557 -51.128 18.199 439 2HB ARG 68 2HB ARG 68 -7.344 -50.441 19.797 440 1HG ARG 68 1HG ARG 68 -6.234 -52.692 20.454 441 2HG ARG 68 2HG ARG 68 -6.211 -53.066 18.743 442 1HD ARG 68 1HD ARG 68 -5.058 -50.700 18.486 443 2HD ARG 68 2HD ARG 68 -4.744 -50.844 20.204 444 HE ARG 68 HE ARG 68 -3.979 -53.214 18.635 445 1HH1 ARG 68 2HH2 ARG 68 -2.902 -50.106 19.953 446 2HH1 ARG 68 1HH2 ARG 68 -1.221 -50.522 19.892 447 1HH2 ARG 68 1HH ARG 68 -0.574 -52.677 19.067 448 H GLY 69 H GLY 69 -8.404 -54.377 20.945 449 1HA GLY 69 1HA GLY 69 -8.696 -53.184 23.623 450 2HA GLY 69 2HA GLY 69 -8.977 -54.859 23.191 451 H ALA 70 H ALA 70 -7.083 -56.222 22.557 452 HA ALA 70 HA ALA 70 -5.074 -57.048 22.974 453 1HB ALA 70 1HB ALA 70 -4.173 -54.141 22.845 454 2HB ALA 70 2HB ALA 70 -3.146 -55.578 22.627 455 3HB ALA 70 3HB ALA 70 -4.415 -55.203 21.437 456 H TYR 71 H TYR 71 -5.958 -57.668 25.114 457 HA TYR 71 HA TYR 71 -4.473 -56.282 27.231 458 1HB TYR 71 1HB TYR 71 -6.763 -55.548 27.515 459 2HB TYR 71 2HB TYR 71 -7.409 -57.063 26.916 460 HD1 TYR 71 HD1 TYR 71 -8.339 -58.539 28.449 461 HD2 TYR 71 HD2 TYR 71 -5.355 -55.780 29.788 462 HE1 TYR 71 HE1 TYR 71 -8.662 -59.339 30.841 463 HE2 TYR 71 HE2 TYR 71 -5.688 -56.589 32.175 464 HH TYR 71 HH TYR 71 -7.124 -59.392 32.943 465 H SER 72 H SER 72 -3.769 -57.627 28.968 466 HA SER 72 HA SER 72 -3.351 -60.301 28.149 467 1HB SER 72 1HB SER 72 -2.032 -60.490 30.215 468 2HB SER 72 2HB SER 72 -1.637 -59.001 29.380 469 HG SER 72 HG SER 72 -3.742 -58.773 31.242 470 H SER 73 H SER 73 -5.125 -61.670 28.210 471 HA SER 73 HA SER 73 -7.035 -61.367 30.309 472 1HB SER 73 1HB SER 73 -8.105 -63.382 29.139 473 2HB SER 73 2HB SER 73 -7.959 -61.921 28.183 474 HG SER 73 HG SER 73 -6.442 -62.835 26.905 475 H HIS 74 H HIS 74 -7.314 -62.733 32.105 476 HA HIS 74 HA HIS 74 -6.838 -64.242 33.625 477 1HB HIS 74 1HB HIS 74 -7.274 -66.053 32.279 478 2HB HIS 74 2HB HIS 74 -5.993 -65.674 31.144 479 HD1 HIS 74 HD1 HIS 74 -6.723 -67.618 34.236 480 HD2 HIS 74 HD2 HIS 74 -3.364 -66.530 31.972 481 HE1 HIS 74 HE1 HIS 74 -4.815 -69.118 35.022 482 H ASP 75 H ASP 75 -5.247 -64.525 35.218 483 HA ASP 75 HA ASP 75 -3.163 -62.829 35.225 484 1HB ASP 75 1HB ASP 75 -3.119 -65.559 36.587 485 2HB ASP 75 2HB ASP 75 -2.299 -64.107 37.126 486 HD2 ASP 75 HD2 ASP 75 -3.826 -62.421 38.086 Start of MODEL 18 1 H MET 1 H MET 1 -35.952 41.172 -8.715 2 HA MET 1 HA MET 1 -35.069 39.216 -10.556 3 1HB MET 1 1HB MET 1 -33.958 41.316 -8.826 4 2HB MET 1 2HB MET 1 -32.983 39.865 -8.702 5 1HG MET 1 1HG MET 1 -31.974 40.544 -10.631 6 2HG MET 1 2HG MET 1 -33.436 40.035 -11.452 7 1HE MET 1 1HE MET 1 -35.732 42.777 -10.996 8 2HE MET 1 2HE MET 1 -35.176 42.676 -12.684 9 3HE MET 1 3HE MET 1 -35.355 41.194 -11.716 10 H GLU 2 H GLU 2 -35.684 37.108 -10.070 11 HA GLU 2 HA GLU 2 -34.803 36.172 -7.451 12 1HB GLU 2 1HB GLU 2 -37.437 36.215 -8.400 13 2HB GLU 2 2HB GLU 2 -36.934 34.563 -8.698 14 1HG GLU 2 1HG GLU 2 -36.787 34.056 -6.458 15 2HG GLU 2 2HG GLU 2 -36.114 35.619 -6.039 16 HE2 GLU 2 HE2 GLU 2 -39.428 34.239 -6.741 17 H VAL 3 H VAL 3 -33.422 34.414 -7.453 18 HA VAL 3 HA VAL 3 -32.106 33.673 -9.739 19 HB VAL 3 HB VAL 3 -32.522 31.971 -7.277 20 1HG1 VAL 3 1HG1 VAL 3 -31.265 30.613 -8.614 21 2HG1 VAL 3 2HG1 VAL 3 -30.590 31.967 -9.550 22 3HG1 VAL 3 3HG1 VAL 3 -29.951 31.599 -7.930 23 1HG2 VAL 3 1HG2 VAL 3 -30.154 33.363 -6.920 24 2HG2 VAL 3 2HG2 VAL 3 -31.254 34.594 -7.586 25 3HG2 VAL 3 3HG2 VAL 3 -31.703 33.703 -6.111 26 H ALA 4 H ALA 4 -32.063 31.541 -10.876 27 HA ALA 4 HA ALA 4 -34.757 30.833 -11.602 28 1HB ALA 4 1HB ALA 4 -33.795 30.003 -13.522 29 2HB ALA 4 2HB ALA 4 -32.508 31.132 -13.035 30 3HB ALA 4 3HB ALA 4 -32.354 29.397 -12.669 31 H MET 5 H MET 5 -35.300 28.418 -11.854 32 HA MET 5 HA MET 5 -34.249 27.023 -9.513 33 1HB MET 5 1HB MET 5 -36.550 25.955 -9.395 34 2HB MET 5 2HB MET 5 -36.598 27.691 -9.161 35 1HG MET 5 1HG MET 5 -37.835 28.021 -11.054 36 2HG MET 5 2HG MET 5 -36.804 26.977 -12.013 37 1HE MET 5 1HE MET 5 -40.850 26.016 -11.703 38 2HE MET 5 2HE MET 5 -40.351 27.300 -10.575 39 3HE MET 5 3HE MET 5 -39.819 27.350 -12.273 40 H VAL 6 H VAL 6 -33.895 24.735 -9.695 41 HA VAL 6 HA VAL 6 -33.750 23.850 -12.486 42 HB VAL 6 HB VAL 6 -31.708 24.072 -10.901 43 1HG1 VAL 6 1HG1 VAL 6 -33.207 22.432 -9.279 44 2HG1 VAL 6 2HG1 VAL 6 -32.109 21.276 -10.071 45 3HG1 VAL 6 3HG1 VAL 6 -31.445 22.660 -9.169 46 1HG2 VAL 6 1HG2 VAL 6 -30.646 22.824 -12.433 47 2HG2 VAL 6 2HG2 VAL 6 -31.570 21.362 -12.010 48 3HG2 VAL 6 3HG2 VAL 6 -32.253 22.550 -13.147 49 H SER 7 H SER 7 -33.551 21.085 -12.061 50 HA SER 7 HA SER 7 -35.853 20.366 -10.494 51 1HB SER 7 1HB SER 7 -36.812 19.069 -12.480 52 2HB SER 7 2HB SER 7 -36.994 20.811 -12.545 53 HG SER 7 HG SER 7 -35.709 19.154 -14.304 54 H ALA 8 H ALA 8 -35.364 18.479 -9.424 55 HA ALA 8 HA ALA 8 -33.010 17.027 -10.294 56 1HB ALA 8 1HB ALA 8 -34.317 15.926 -7.966 57 2HB ALA 8 2HB ALA 8 -32.747 16.757 -8.080 58 3HB ALA 8 3HB ALA 8 -34.235 17.698 -7.815 59 H GLU 9 H GLU 9 -33.787 16.020 -12.231 60 HA GLU 9 HA GLU 9 -36.116 14.766 -12.606 61 1HB GLU 9 1HB GLU 9 -35.099 13.674 -14.419 62 2HB GLU 9 2HB GLU 9 -34.032 15.039 -14.158 63 1HG GLU 9 1HG GLU 9 -33.586 12.216 -13.075 64 2HG GLU 9 2HG GLU 9 -32.758 12.915 -14.452 65 HE2 GLU 9 HE2 GLU 9 -31.021 15.196 -12.961 66 H SER 10 H SER 10 -36.462 12.246 -12.804 67 HA SER 10 HA SER 10 -35.083 10.563 -11.099 68 1HB SER 10 1HB SER 10 -36.498 10.358 -9.180 69 2HB SER 10 2HB SER 10 -36.192 12.073 -9.367 70 HG SER 10 HG SER 10 -38.277 12.251 -10.467 71 H SER 11 H SER 11 -36.161 8.378 -10.987 72 HA SER 11 HA SER 11 -38.617 7.897 -12.128 73 1HB SER 11 1HB SER 11 -37.774 8.609 -14.269 74 2HB SER 11 2HB SER 11 -36.276 7.723 -14.061 75 HG SER 11 HG SER 11 -37.523 6.450 -15.412 76 H GLY 12 H GLY 12 -39.116 5.603 -12.065 77 1HA GLY 12 1HA GLY 12 -38.574 3.360 -11.805 78 2HA GLY 12 2HA GLY 12 -36.932 3.786 -11.366 79 H CYS 13 H CYS 13 -38.836 1.993 -9.945 80 HA CYS 13 HA CYS 13 -38.713 3.371 -7.381 81 1HB CYS 13 1HB CYS 13 -40.926 2.494 -6.736 82 2HB CYS 13 2HB CYS 13 -41.027 3.631 -8.066 83 HG CYS 13 HG CYS 13 -42.611 2.050 -9.013 84 H ASN 14 H ASN 14 -36.682 1.781 -8.039 85 HA ASN 14 HA ASN 14 -37.388 -0.932 -7.336 86 1HB ASN 14 1HB ASN 14 -35.287 0.364 -8.913 87 2HB ASN 14 2HB ASN 14 -34.561 -0.681 -7.708 88 1HD2 ASN 14 1HD2 ASN 14 -36.381 -0.461 -10.608 89 2HD2 ASN 14 2HD2 ASN 14 -36.537 -2.149 -10.964 90 H SER 15 H SER 15 -37.374 1.463 -5.429 91 HA SER 15 HA SER 15 -36.287 0.225 -3.245 92 1HB SER 15 1HB SER 15 -34.333 1.741 -2.753 93 2HB SER 15 2HB SER 15 -34.063 0.647 -4.095 94 HG SER 15 HG SER 15 -34.686 2.444 -5.543 95 H HIS 16 H HIS 16 -38.018 0.941 -2.021 96 HA HIS 16 HA HIS 16 -38.147 3.793 -1.549 97 1HB HIS 16 1HB HIS 16 -39.730 3.704 -3.282 98 2HB HIS 16 2HB HIS 16 -40.380 2.167 -2.748 99 HD1 HIS 16 HD1 HIS 16 -42.802 2.972 -2.483 100 HD2 HIS 16 HD2 HIS 16 -40.047 5.201 -0.239 101 HE1 HIS 16 HE1 HIS 16 -44.179 4.448 -0.922 102 H MET 17 H MET 17 -37.079 2.861 0.422 103 HA MET 17 HA MET 17 -37.943 0.999 2.056 104 1HB MET 17 1HB MET 17 -37.105 3.867 2.735 105 2HB MET 17 2HB MET 17 -37.247 2.624 3.963 106 1HG MET 17 1HG MET 17 -35.583 2.034 1.506 107 2HG MET 17 2HG MET 17 -34.911 3.087 2.735 108 1HE MET 17 1HE MET 17 -35.242 -1.337 2.669 109 2HE MET 17 2HE MET 17 -36.877 -0.634 2.716 110 3HE MET 17 3HE MET 17 -35.725 -0.127 1.456 111 HA PRO 18 HA PRO 18 -42.109 2.389 2.766 112 1HB PRO 18 1HB PRO 18 -43.180 -0.079 3.249 113 2HB PRO 18 2HB PRO 18 -43.091 0.631 1.649 114 1HG PRO 18 1HG PRO 18 -41.439 -1.526 2.815 115 2HG PRO 18 2HG PRO 18 -41.658 -1.100 1.129 116 1HD PRO 18 1HD PRO 18 -39.381 -0.504 2.768 117 2HD PRO 18 2HD PRO 18 -39.651 0.021 1.117 118 H TYR 19 H TYR 19 -43.802 1.309 4.619 119 HA TYR 19 HA TYR 19 -43.007 2.498 6.923 120 1HB TYR 19 1HB TYR 19 -44.614 0.605 7.893 121 2HB TYR 19 2HB TYR 19 -45.273 1.717 6.709 122 HD1 TYR 19 HD1 TYR 19 -45.958 0.964 4.530 123 HD2 TYR 19 HD2 TYR 19 -43.969 -1.714 7.209 124 HE1 TYR 19 HE1 TYR 19 -46.588 -1.001 3.045 125 HE2 TYR 19 HE2 TYR 19 -44.606 -3.670 5.715 126 HH TYR 19 HH TYR 19 -46.443 -3.126 2.718 127 H GLY 20 H GLY 20 -42.768 1.204 9.139 128 1HA GLY 20 1HA GLY 20 -41.590 -0.237 10.433 129 2HA GLY 20 2HA GLY 20 -41.175 -1.179 9.015 130 H TYR 21 H TYR 21 -40.434 1.960 8.151 131 HA TYR 21 HA TYR 21 -37.633 1.488 8.469 132 1HB TYR 21 1HB TYR 21 -37.540 3.510 7.091 133 2HB TYR 21 2HB TYR 21 -38.966 2.647 6.549 134 HD1 TYR 21 HD1 TYR 21 -37.851 5.421 8.781 135 HD2 TYR 21 HD2 TYR 21 -41.096 3.670 6.611 136 HE1 TYR 21 HE1 TYR 21 -39.276 7.477 9.239 137 HE2 TYR 21 HE2 TYR 21 -42.510 5.731 7.076 138 HH TYR 21 HH TYR 21 -41.956 8.221 7.560 139 H ALA 22 H ALA 22 -40.099 2.853 10.455 140 HA ALA 22 HA ALA 22 -38.500 4.879 11.667 141 1HB ALA 22 1HB ALA 22 -41.095 4.623 11.495 142 2HB ALA 22 2HB ALA 22 -40.919 3.566 12.917 143 3HB ALA 22 3HB ALA 22 -40.392 5.265 12.999 144 H ALA 23 H ALA 23 -39.239 1.419 12.252 145 HA ALA 23 HA ALA 23 -37.989 1.383 14.810 146 1HB ALA 23 1HB ALA 23 -39.485 -0.392 13.064 147 2HB ALA 23 2HB ALA 23 -38.055 -1.223 13.720 148 3HB ALA 23 3HB ALA 23 -39.240 -0.484 14.824 149 H GLN 24 H GLN 24 -36.778 1.846 11.705 150 HA GLN 24 HA GLN 24 -34.428 0.240 12.116 151 1HB GLN 24 1HB GLN 24 -35.651 1.758 9.856 152 2HB GLN 24 2HB GLN 24 -33.899 1.714 9.865 153 1HG GLN 24 1HG GLN 24 -35.394 -0.865 10.351 154 2HG GLN 24 2HG GLN 24 -35.336 -0.237 8.716 155 1HE2 GLN 24 1HE2 GLN 24 -33.870 -2.223 10.861 156 2HE2 GLN 24 2HE2 GLN 24 -32.260 -2.292 10.226 157 H ALA 25 H ALA 25 -35.532 3.127 13.328 158 HA ALA 25 HA ALA 25 -33.425 4.901 12.885 159 1HB ALA 25 1HB ALA 25 -35.462 4.566 15.113 160 2HB ALA 25 2HB ALA 25 -34.314 5.924 15.053 161 3HB ALA 25 3HB ALA 25 -35.504 5.706 13.747 162 H ARG 26 H ARG 26 -33.650 1.953 14.740 163 HA ARG 26 HA ARG 26 -31.704 2.634 16.641 164 1HB ARG 26 1HB ARG 26 -33.507 0.638 16.492 165 2HB ARG 26 2HB ARG 26 -32.160 -0.230 15.782 166 1HG ARG 26 1HG ARG 26 -31.181 -0.513 17.810 167 2HG ARG 26 2HG ARG 26 -31.236 1.208 18.137 168 1HD ARG 26 1HD ARG 26 -33.907 -0.025 18.342 169 2HD ARG 26 2HD ARG 26 -32.757 -0.782 19.427 170 HE ARG 26 HE ARG 26 -33.715 2.002 19.547 171 1HH1 ARG 26 2HH2 ARG 26 -31.274 -0.312 20.661 172 2HH1 ARG 26 1HH2 ARG 26 -30.845 0.622 22.055 173 1HH2 ARG 26 1HH ARG 26 -31.961 2.703 22.462 174 H ALA 27 H ALA 27 -31.686 1.351 13.325 175 HA ALA 27 HA ALA 27 -29.044 0.329 13.398 176 1HB ALA 27 1HB ALA 27 -29.423 -0.180 11.165 177 2HB ALA 27 2HB ALA 27 -31.095 -0.074 11.768 178 3HB ALA 27 3HB ALA 27 -30.380 1.294 10.880 179 H ARG 28 H ARG 28 -30.531 3.516 12.878 180 HA ARG 28 HA ARG 28 -28.411 4.693 11.569 181 1HB ARG 28 1HB ARG 28 -30.883 5.526 12.202 182 2HB ARG 28 2HB ARG 28 -30.063 6.259 13.566 183 1HG ARG 28 1HG ARG 28 -28.611 6.734 11.049 184 2HG ARG 28 2HG ARG 28 -30.260 7.320 10.961 185 1HD ARG 28 1HD ARG 28 -29.966 8.760 12.876 186 2HD ARG 28 2HD ARG 28 -28.480 7.961 13.348 187 HE ARG 28 HE ARG 28 -28.796 9.957 11.197 188 1HH1 ARG 28 2HH2 ARG 28 -26.687 7.521 12.672 189 2HH1 ARG 28 1HH2 ARG 28 -25.242 8.166 11.968 190 1HH2 ARG 28 1HH ARG 28 -25.385 10.099 10.558 191 H GLU 29 H GLU 29 -28.988 3.905 14.987 192 HA GLU 29 HA GLU 29 -26.896 5.611 15.903 193 1HB GLU 29 1HB GLU 29 -29.082 4.145 17.062 194 2HB GLU 29 2HB GLU 29 -27.613 3.609 17.853 195 1HG GLU 29 1HG GLU 29 -27.152 5.710 18.755 196 2HG GLU 29 2HG GLU 29 -27.915 6.570 17.432 197 HE2 GLU 29 HE2 GLU 29 -30.848 6.684 18.248 198 H ARG 30 H ARG 30 -27.252 2.326 14.706 199 HA ARG 30 HA ARG 30 -24.765 1.523 15.890 200 1HB ARG 30 1HB ARG 30 -27.031 0.195 14.468 201 2HB ARG 30 2HB ARG 30 -25.460 -0.509 14.141 202 1HG ARG 30 1HG ARG 30 -25.047 -0.712 16.608 203 2HG ARG 30 2HG ARG 30 -26.630 -0.031 16.923 204 1HD ARG 30 1HD ARG 30 -26.360 -2.478 15.145 205 2HD ARG 30 2HD ARG 30 -26.337 -2.656 16.888 206 HE ARG 30 HE ARG 30 -28.562 -1.074 16.476 207 1HH1 ARG 30 2HH2 ARG 30 -27.514 -4.170 15.108 208 2HH1 ARG 30 1HH2 ARG 30 -29.128 -4.738 14.838 209 1HH2 ARG 30 1HH ARG 30 -30.980 -3.342 15.441 210 H GLU 31 H GLU 31 -26.108 2.724 12.840 211 HA GLU 31 HA GLU 31 -24.164 1.801 11.115 212 1HB GLU 31 1HB GLU 31 -26.251 3.911 11.116 213 2HB GLU 31 2HB GLU 31 -24.911 4.240 10.036 214 1HG GLU 31 1HG GLU 31 -25.204 1.809 9.175 215 2HG GLU 31 2HG GLU 31 -26.724 1.791 10.048 216 HE2 GLU 31 HE2 GLU 31 -27.361 4.923 8.472 217 H ARG 32 H ARG 32 -24.116 4.348 13.549 218 HA ARG 32 HA ARG 32 -22.146 5.940 12.498 219 1HB ARG 32 1HB ARG 32 -23.527 6.485 14.518 220 2HB ARG 32 2HB ARG 32 -22.683 5.251 15.432 221 1HG ARG 32 1HG ARG 32 -20.512 6.609 14.622 222 2HG ARG 32 2HG ARG 32 -21.664 7.919 14.452 223 1HD ARG 32 1HD ARG 32 -22.358 6.918 16.942 224 2HD ARG 32 2HD ARG 32 -20.632 6.618 16.926 225 HE ARG 32 HE ARG 32 -20.303 8.907 17.186 226 1HH1 ARG 32 2HH2 ARG 32 -23.455 8.423 15.640 227 2HH1 ARG 32 1HH2 ARG 32 -23.848 10.110 15.630 228 1HH2 ARG 32 1HH ARG 32 -22.286 11.685 16.537 229 H LEU 33 H LEU 33 -22.024 2.765 14.084 230 HA LEU 33 HA LEU 33 -19.144 2.922 14.400 231 1HB LEU 33 1HB LEU 33 -21.220 1.639 15.760 232 2HB LEU 33 2HB LEU 33 -20.364 0.349 14.939 233 HG LEU 33 HG LEU 33 -18.466 2.135 16.189 234 1HD1 LEU 33 1HD1 LEU 33 -20.702 2.347 17.616 235 2HD1 LEU 33 2HD1 LEU 33 -20.108 0.814 18.297 236 3HD1 LEU 33 3HD1 LEU 33 -19.092 2.274 18.372 237 1HD2 LEU 33 1HD2 LEU 33 -17.527 0.112 15.913 238 2HD2 LEU 33 2HD2 LEU 33 -18.245 -0.231 17.505 239 3HD2 LEU 33 3HD2 LEU 33 -19.082 -0.748 16.021 240 H ALA 34 H ALA 34 -21.466 2.121 12.006 241 HA ALA 34 HA ALA 34 -19.891 0.041 10.785 242 1HB ALA 34 1HB ALA 34 -21.741 -0.286 9.465 243 2HB ALA 34 2HB ALA 34 -22.533 0.576 10.805 244 3HB ALA 34 3HB ALA 34 -22.084 1.455 9.324 245 H HIS 35 H HIS 35 -19.282 3.219 11.228 246 HA HIS 35 HA HIS 35 -18.581 3.816 8.483 247 1HB HIS 35 1HB HIS 35 -19.027 5.332 10.963 248 2HB HIS 35 2HB HIS 35 -17.648 5.894 10.040 249 HD1 HIS 35 HD1 HIS 35 -21.156 6.464 10.340 250 HD2 HIS 35 HD2 HIS 35 -18.501 6.232 7.101 251 HE1 HIS 35 HE1 HIS 35 -22.302 7.644 8.390 252 H SER 36 H SER 36 -17.256 2.221 11.198 253 HA SER 36 HA SER 36 -14.563 3.031 10.596 254 1HB SER 36 1HB SER 36 -15.613 0.993 12.610 255 2HB SER 36 2HB SER 36 -13.958 1.561 12.511 256 HG SER 36 HG SER 36 -15.881 3.612 12.696 257 H ARG 37 H ARG 37 -16.885 0.587 9.723 258 HA ARG 37 HA ARG 37 -14.847 -1.302 9.009 259 1HB ARG 37 1HB ARG 37 -17.467 -1.590 9.826 260 2HB ARG 37 2HB ARG 37 -17.663 -1.731 8.090 261 1HG ARG 37 1HG ARG 37 -16.986 -3.889 8.252 262 2HG ARG 37 2HG ARG 37 -15.386 -3.306 8.663 263 1HD ARG 37 1HD ARG 37 -15.659 -3.719 10.929 264 2HD ARG 37 2HD ARG 37 -17.364 -3.312 10.912 265 HE ARG 37 HE ARG 37 -16.180 -5.951 10.324 266 1HH1 ARG 37 2HH2 ARG 37 -19.085 -3.927 10.192 267 2HH1 ARG 37 1HH2 ARG 37 -20.168 -5.273 10.067 268 1HH2 ARG 37 1HH ARG 37 -19.278 -7.498 10.050 269 H ALA 38 H ALA 38 -15.509 1.537 7.725 270 HA ALA 38 HA ALA 38 -16.098 0.721 5.004 271 1HB ALA 38 1HB ALA 38 -15.683 3.362 4.816 272 2HB ALA 38 2HB ALA 38 -17.213 2.691 5.430 273 3HB ALA 38 3HB ALA 38 -15.976 3.273 6.570 274 H ALA 39 H ALA 39 -13.850 -0.602 5.679 275 HA ALA 39 HA ALA 39 -11.507 0.972 5.223 276 1HB ALA 39 1HB ALA 39 -11.920 -1.293 6.554 277 2HB ALA 39 2HB ALA 39 -11.576 -2.022 4.967 278 3HB ALA 39 3HB ALA 39 -10.366 -0.975 5.746 279 H ALA 40 H ALA 40 -12.788 1.859 3.169 280 HA ALA 40 HA ALA 40 -12.519 0.067 0.905 281 1HB ALA 40 1HB ALA 40 -13.437 2.966 0.999 282 2HB ALA 40 2HB ALA 40 -13.720 1.780 -0.298 283 3HB ALA 40 3HB ALA 40 -14.512 1.576 1.283 284 H ALA 41 H ALA 41 -11.449 3.450 1.725 285 HA ALA 41 HA ALA 41 -8.807 3.219 1.452 286 1HB ALA 41 1HB ALA 41 -8.549 2.328 -0.635 287 2HB ALA 41 2HB ALA 41 -10.135 2.910 -1.196 288 3HB ALA 41 3HB ALA 41 -8.747 4.022 -1.144 289 H ALA 42 H ALA 42 -10.228 4.846 2.946 290 HA ALA 42 HA ALA 42 -10.697 7.357 1.597 291 1HB ALA 42 1HB ALA 42 -10.756 6.994 4.583 292 2HB ALA 42 2HB ALA 42 -11.821 7.962 3.535 293 3HB ALA 42 3HB ALA 42 -12.000 6.192 3.593 294 H ALA 43 H ALA 43 -8.657 6.221 4.391 295 HA ALA 43 HA ALA 43 -7.160 8.471 4.710 296 1HB ALA 43 1HB ALA 43 -7.041 6.603 6.238 297 2HB ALA 43 2HB ALA 43 -6.404 5.535 4.965 298 3HB ALA 43 3HB ALA 43 -5.408 6.874 5.583 299 H VAL 44 H VAL 44 -7.176 6.202 2.027 300 HA VAL 44 HA VAL 44 -4.637 7.259 1.051 301 HB VAL 44 HB VAL 44 -6.189 4.802 0.749 302 1HG1 VAL 44 1HG1 VAL 44 -6.686 5.627 -1.464 303 2HG1 VAL 44 2HG1 VAL 44 -4.987 6.091 -1.723 304 3HG1 VAL 44 3HG1 VAL 44 -5.430 4.372 -1.595 305 1HG2 VAL 44 1HG2 VAL 44 -3.296 5.633 0.444 306 2HG2 VAL 44 2HG2 VAL 44 -4.044 4.645 1.723 307 3HG2 VAL 44 3HG2 VAL 44 -3.856 3.982 0.082 308 H ALA 45 H ALA 45 -8.153 7.344 0.549 309 HA ALA 45 HA ALA 45 -8.445 8.185 -1.980 310 1HB ALA 45 1HB ALA 45 -10.273 7.904 -0.357 311 2HB ALA 45 2HB ALA 45 -9.743 9.365 0.511 312 3HB ALA 45 3HB ALA 45 -10.377 9.496 -1.147 313 H ALA 46 H ALA 46 -7.801 10.448 0.800 314 HA ALA 46 HA ALA 46 -7.397 12.691 -0.768 315 1HB ALA 46 1HB ALA 46 -7.344 13.523 1.316 316 2HB ALA 46 2HB ALA 46 -7.161 11.884 1.985 317 3HB ALA 46 3HB ALA 46 -5.720 12.829 1.538 318 H ALA 47 H ALA 47 -4.882 10.526 0.731 319 HA ALA 47 HA ALA 47 -2.755 11.713 -0.647 320 1HB ALA 47 1HB ALA 47 -2.186 10.501 1.274 321 2HB ALA 47 2HB ALA 47 -3.216 9.119 0.830 322 3HB ALA 47 3HB ALA 47 -1.685 9.401 -0.033 323 H THR 48 H THR 48 -1.287 9.892 -1.996 324 HA THR 48 HA THR 48 -2.362 8.087 -3.674 325 HB THR 48 HB THR 48 -4.046 9.434 -4.620 326 HG1 THR 48 HG1 THR 48 -2.952 10.255 -6.665 327 1HG2 THR 48 1HG2 THR 48 -3.105 11.872 -5.449 328 2HG2 THR 48 2HG2 THR 48 -3.930 11.636 -3.890 329 3HG2 THR 48 3HG2 THR 48 -2.152 11.665 -3.960 330 H ALA 49 H ALA 49 -0.759 7.184 -4.867 331 HA ALA 49 HA ALA 49 1.837 7.915 -4.456 332 1HB ALA 49 1HB ALA 49 0.333 6.046 -6.087 333 2HB ALA 49 2HB ALA 49 1.728 6.674 -6.998 334 3HB ALA 49 3HB ALA 49 1.976 5.889 -5.419 335 H ALA 50 H ALA 50 3.391 8.402 -6.506 336 HA ALA 50 HA ALA 50 2.594 11.052 -7.331 337 1HB ALA 50 1HB ALA 50 4.918 11.248 -8.033 338 2HB ALA 50 2HB ALA 50 4.861 10.517 -6.411 339 3HB ALA 50 3HB ALA 50 5.161 9.496 -7.838 340 H VAL 51 H VAL 51 0.798 9.355 -8.469 341 HA VAL 51 HA VAL 51 0.015 8.499 -10.367 342 HB VAL 51 HB VAL 51 -0.029 10.899 -10.789 343 1HG1 VAL 51 1HG1 VAL 51 2.244 11.566 -10.640 344 2HG1 VAL 51 2HG1 VAL 51 2.742 10.431 -11.917 345 3HG1 VAL 51 3HG1 VAL 51 1.761 11.858 -12.328 346 1HG2 VAL 51 1HG2 VAL 51 0.318 8.912 -12.978 347 2HG2 VAL 51 2HG2 VAL 51 -1.074 9.943 -12.570 348 3HG2 VAL 51 3HG2 VAL 51 0.315 10.629 -13.446 349 H GLU 52 H GLU 52 1.967 6.849 -9.542 350 HA GLU 52 HA GLU 52 4.050 6.618 -11.428 351 1HB GLU 52 1HB GLU 52 3.817 5.754 -8.921 352 2HB GLU 52 2HB GLU 52 3.157 4.321 -9.683 353 1HG GLU 52 1HG GLU 52 5.352 3.677 -9.835 354 2HG GLU 52 2HG GLU 52 5.366 4.700 -11.258 355 HE2 GLU 52 HE2 GLU 52 6.141 7.405 -10.054 356 H GLY 53 H GLY 53 4.377 4.798 -12.948 357 1HA GLY 53 1HA GLY 53 2.293 2.996 -13.593 358 2HA GLY 53 2HA GLY 53 2.224 4.386 -14.658 359 H THR 54 H THR 54 4.611 5.115 -15.439 360 HA THR 54 HA THR 54 6.308 4.611 -16.786 361 HB THR 54 HB THR 54 6.535 2.297 -14.793 362 HG1 THR 54 HG1 THR 54 7.834 4.898 -15.213 363 1HG2 THR 54 1HG2 THR 54 8.817 3.492 -16.404 364 2HG2 THR 54 2HG2 THR 54 8.762 1.939 -15.537 365 3HG2 THR 54 3HG2 THR 54 7.881 2.133 -17.072 366 H GLY 55 H GLY 55 4.478 4.324 -18.385 367 1HA GLY 55 1HA GLY 55 4.040 1.547 -19.176 368 2HA GLY 55 2HA GLY 55 3.240 2.975 -19.801 369 H GLY 56 H GLY 56 5.675 0.633 -20.369 370 1HA GLY 56 1HA GLY 56 6.469 0.542 -22.657 371 2HA GLY 56 2HA GLY 56 6.764 2.268 -22.581 372 H SER 57 H SER 57 8.487 3.100 -21.152 373 HA SER 57 HA SER 57 10.476 3.085 -20.285 374 1HB SER 57 1HB SER 57 9.252 0.752 -19.149 375 2HB SER 57 2HB SER 57 10.913 0.331 -19.513 376 HG SER 57 HG SER 57 10.666 1.270 -17.375 377 H GLY 58 H GLY 58 12.608 2.869 -21.091 378 1HA GLY 58 1HA GLY 58 13.950 0.933 -22.252 379 2HA GLY 58 2HA GLY 58 12.831 1.299 -23.549 380 H GLY 59 H GLY 59 13.845 2.518 -25.083 381 1HA GLY 59 1HA GLY 59 14.563 4.643 -25.774 382 2HA GLY 59 2HA GLY 59 15.226 4.951 -24.182 383 H GLY 60 H GLY 60 17.378 4.497 -23.764 384 1HA GLY 60 1HA GLY 60 19.526 4.019 -24.233 385 2HA GLY 60 2HA GLY 60 18.917 2.488 -24.830 386 HA PRO 61 HA PRO 61 19.471 5.517 -28.467 387 1HB PRO 61 1HB PRO 61 21.189 7.609 -28.095 388 2HB PRO 61 2HB PRO 61 19.449 7.765 -27.967 389 1HG PRO 61 1HG PRO 61 21.466 7.690 -25.808 390 2HG PRO 61 2HG PRO 61 19.810 8.260 -25.744 391 1HD PRO 61 1HD PRO 61 20.808 5.769 -24.731 392 2HD PRO 61 2HD PRO 61 19.135 6.289 -24.771 393 H HIS 62 H HIS 62 20.433 3.337 -28.736 394 HA HIS 62 HA HIS 62 23.304 3.367 -28.592 395 1HB HIS 62 1HB HIS 62 21.509 1.421 -28.180 396 2HB HIS 62 2HB HIS 62 21.797 1.139 -29.886 397 HD1 HIS 62 HD1 HIS 62 23.628 -0.490 -30.327 398 HD2 HIS 62 HD2 HIS 62 24.217 1.590 -26.733 399 HE1 HIS 62 HE1 HIS 62 25.757 -1.441 -29.291 400 H HIS 63 H HIS 63 24.032 4.904 -30.099 401 HA HIS 63 HA HIS 63 23.099 5.485 -32.525 402 1HB HIS 63 1HB HIS 63 25.516 5.837 -31.116 403 2HB HIS 63 2HB HIS 63 25.979 5.219 -32.689 404 HD1 HIS 63 HD1 HIS 63 26.751 8.078 -32.034 405 HD2 HIS 63 HD2 HIS 63 23.112 7.066 -33.859 406 HE1 HIS 63 HE1 HIS 63 25.953 10.176 -33.248 407 H HIS 64 H HIS 64 25.697 2.976 -32.057 408 HA HIS 64 HA HIS 64 26.146 1.126 -33.146 409 1HB HIS 64 1HB HIS 64 23.996 0.302 -32.582 410 2HB HIS 64 2HB HIS 64 23.202 1.292 -33.791 411 HD1 HIS 64 HD1 HIS 64 23.610 0.572 -36.364 412 HD2 HIS 64 HD2 HIS 64 24.815 -2.199 -33.454 413 HE1 HIS 64 HE1 HIS 64 23.906 -1.654 -37.576 414 H HIS 65 H HIS 65 26.986 0.445 -35.185 415 HA HIS 65 HA HIS 65 26.303 1.145 -37.645 416 1HB HIS 65 1HB HIS 65 27.875 3.191 -38.050 417 2HB HIS 65 2HB HIS 65 26.231 3.429 -37.492 418 HD1 HIS 65 HD1 HIS 65 29.589 2.824 -35.709 419 HD2 HIS 65 HD2 HIS 65 26.202 5.291 -35.514 420 HE1 HIS 65 HE1 HIS 65 29.971 4.408 -33.745 421 H GLN 66 H GLN 66 27.972 0.639 -39.227 422 HA GLN 66 HA GLN 66 30.466 -0.218 -38.000 423 1HB GLN 66 1HB GLN 66 28.544 -2.044 -38.623 424 2HB GLN 66 2HB GLN 66 29.352 -1.948 -40.175 425 1HG GLN 66 1HG GLN 66 30.951 -3.338 -39.370 426 2HG GLN 66 2HG GLN 66 31.460 -2.057 -38.287 427 1HE2 GLN 66 1HE2 GLN 66 32.072 -3.865 -36.927 428 2HE2 GLN 66 2HE2 GLN 66 30.912 -4.581 -35.858 429 H THR 67 H THR 67 31.916 -1.087 -40.117 430 HA THR 67 HA THR 67 31.506 0.520 -42.451 431 HB THR 67 HB THR 67 33.675 1.240 -40.413 432 HG1 THR 67 HG1 THR 67 32.264 2.943 -40.153 433 1HG2 THR 67 1HG2 THR 67 34.273 3.022 -42.095 434 2HG2 THR 67 2HG2 THR 67 34.646 1.387 -42.691 435 3HG2 THR 67 3HG2 THR 67 33.193 2.236 -43.271 436 H ARG 68 H ARG 68 33.537 0.311 -43.935 437 HA ARG 68 HA ARG 68 35.332 -1.711 -43.472 438 1HB ARG 68 1HB ARG 68 32.924 -2.923 -43.769 439 2HB ARG 68 2HB ARG 68 33.327 -2.761 -45.467 440 1HG ARG 68 1HG ARG 68 34.638 -4.600 -45.286 441 2HG ARG 68 2HG ARG 68 35.712 -3.691 -44.242 442 1HD ARG 68 1HD ARG 68 33.557 -4.403 -42.556 443 2HD ARG 68 2HD ARG 68 33.813 -5.827 -43.545 444 HE ARG 68 HE ARG 68 36.276 -4.645 -42.439 445 1HH1 ARG 68 2HH2 ARG 68 33.699 -7.032 -41.974 446 2HH1 ARG 68 1HH2 ARG 68 34.620 -7.994 -40.867 447 1HH2 ARG 68 1HH ARG 68 36.848 -7.319 -40.297 448 H GLY 69 H GLY 69 36.967 -0.990 -44.800 449 1HA GLY 69 1HA GLY 69 36.197 0.230 -47.378 450 2HA GLY 69 2HA GLY 69 37.618 0.636 -46.436 451 H ALA 70 H ALA 70 39.262 -1.182 -46.062 452 HA ALA 70 HA ALA 70 39.162 -3.415 -47.828 453 1HB ALA 70 1HB ALA 70 40.673 -0.927 -48.580 454 2HB ALA 70 2HB ALA 70 41.397 -2.511 -48.946 455 3HB ALA 70 3HB ALA 70 39.803 -2.084 -49.614 456 H TYR 71 H TYR 71 39.695 -4.774 -46.145 457 HA TYR 71 HA TYR 71 41.717 -4.021 -44.258 458 1HB TYR 71 1HB TYR 71 39.507 -5.551 -44.153 459 2HB TYR 71 2HB TYR 71 40.548 -6.798 -44.810 460 HD1 TYR 71 HD1 TYR 71 39.309 -5.375 -41.842 461 HD2 TYR 71 HD2 TYR 71 42.843 -7.141 -43.485 462 HE1 TYR 71 HE1 TYR 71 40.125 -5.937 -39.501 463 HE2 TYR 71 HE2 TYR 71 43.647 -7.697 -41.138 464 HH TYR 71 HH TYR 71 42.353 -8.127 -38.849 465 H SER 72 H SER 72 43.877 -4.377 -44.401 466 HA SER 72 HA SER 72 45.786 -5.257 -44.967 467 1HB SER 72 1HB SER 72 43.983 -7.492 -45.367 468 2HB SER 72 2HB SER 72 45.206 -7.521 -46.622 469 HG SER 72 HG SER 72 45.629 -7.490 -43.760 470 H SER 73 H SER 73 47.178 -5.803 -47.039 471 HA SER 73 HA SER 73 47.877 -5.143 -48.984 472 1HB SER 73 1HB SER 73 45.320 -6.335 -49.454 473 2HB SER 73 2HB SER 73 45.421 -4.947 -50.519 474 HG SER 73 HG SER 73 47.356 -7.095 -50.315 475 H HIS 74 H HIS 74 47.648 -3.359 -50.794 476 HA HIS 74 HA HIS 74 46.741 -0.953 -49.422 477 1HB HIS 74 1HB HIS 74 48.906 -1.604 -51.350 478 2HB HIS 74 2HB HIS 74 48.143 -0.039 -51.550 479 HD1 HIS 74 HD1 HIS 74 50.084 1.384 -50.690 480 HD2 HIS 74 HD2 HIS 74 48.853 -1.558 -47.965 481 HE1 HIS 74 HE1 HIS 74 51.290 1.889 -48.500 482 H ASP 75 H ASP 75 45.321 0.545 -50.414 483 HA ASP 75 HA ASP 75 43.663 1.195 -51.649 484 1HB ASP 75 1HB ASP 75 44.975 -0.515 -53.814 485 2HB ASP 75 2HB ASP 75 43.655 0.596 -54.118 486 HD2 ASP 75 HD2 ASP 75 46.240 0.793 -55.279 Start of MODEL 19 1 H MET 1 H MET 1 -59.658 -7.712 25.280 2 HA MET 1 HA MET 1 -58.407 -10.121 26.356 3 1HB MET 1 1HB MET 1 -60.926 -9.642 24.891 4 2HB MET 1 2HB MET 1 -59.927 -10.811 24.051 5 1HG MET 1 1HG MET 1 -59.670 -11.746 26.616 6 2HG MET 1 2HG MET 1 -61.265 -11.028 26.723 7 1HE MET 1 1HE MET 1 -63.258 -13.368 26.275 8 2HE MET 1 2HE MET 1 -62.021 -14.626 26.514 9 3HE MET 1 3HE MET 1 -61.924 -13.099 27.423 10 H GLU 2 H GLU 2 -57.065 -11.382 24.859 11 HA GLU 2 HA GLU 2 -56.127 -9.723 22.648 12 1HB GLU 2 1HB GLU 2 -54.466 -9.891 24.482 13 2HB GLU 2 2HB GLU 2 -54.528 -11.640 24.401 14 1HG GLU 2 1HG GLU 2 -53.603 -11.647 22.141 15 2HG GLU 2 2HG GLU 2 -53.757 -9.906 22.012 16 HE2 GLU 2 HE2 GLU 2 -50.691 -11.576 23.896 17 H VAL 3 H VAL 3 -57.806 -10.821 21.327 18 HA VAL 3 HA VAL 3 -57.604 -13.656 20.994 19 HB VAL 3 HB VAL 3 -59.048 -11.646 19.266 20 1HG1 VAL 3 1HG1 VAL 3 -58.954 -13.876 18.315 21 2HG1 VAL 3 2HG1 VAL 3 -59.517 -14.590 19.845 22 3HG1 VAL 3 3HG1 VAL 3 -60.605 -13.549 18.895 23 1HG2 VAL 3 1HG2 VAL 3 -60.853 -12.806 21.111 24 2HG2 VAL 3 2HG2 VAL 3 -59.463 -12.226 22.059 25 3HG2 VAL 3 3HG2 VAL 3 -60.346 -11.104 20.996 26 H ALA 4 H ALA 4 -57.156 -14.668 18.833 27 HA ALA 4 HA ALA 4 -54.708 -13.557 17.806 28 1HB ALA 4 1HB ALA 4 -55.407 -16.059 18.320 29 2HB ALA 4 2HB ALA 4 -56.087 -15.983 16.676 30 3HB ALA 4 3HB ALA 4 -54.352 -15.682 16.937 31 H MET 5 H MET 5 -55.612 -11.551 16.906 32 HA MET 5 HA MET 5 -57.422 -11.925 14.697 33 1HB MET 5 1HB MET 5 -56.263 -9.575 16.241 34 2HB MET 5 2HB MET 5 -56.958 -9.275 14.660 35 1HG MET 5 1HG MET 5 -58.704 -10.992 16.298 36 2HG MET 5 2HG MET 5 -58.366 -9.469 17.097 37 1HE MET 5 1HE MET 5 -61.498 -8.026 15.788 38 2HE MET 5 2HE MET 5 -60.720 -8.952 17.094 39 3HE MET 5 3HE MET 5 -60.034 -7.393 16.578 40 H VAL 6 H VAL 6 -56.930 -10.761 12.569 41 HA VAL 6 HA VAL 6 -54.486 -11.711 11.564 42 HB VAL 6 HB VAL 6 -56.780 -11.245 10.443 43 1HG1 VAL 6 1HG1 VAL 6 -55.651 -8.725 9.389 44 2HG1 VAL 6 2HG1 VAL 6 -57.333 -9.160 9.776 45 3HG1 VAL 6 3HG1 VAL 6 -56.226 -8.645 11.072 46 1HG2 VAL 6 1HG2 VAL 6 -54.926 -10.356 8.433 47 2HG2 VAL 6 2HG2 VAL 6 -54.131 -11.558 9.477 48 3HG2 VAL 6 3HG2 VAL 6 -55.658 -11.963 8.656 49 H SER 7 H SER 7 -53.476 -9.672 9.925 50 HA SER 7 HA SER 7 -52.018 -8.225 11.906 51 1HB SER 7 1HB SER 7 -50.664 -7.447 9.955 52 2HB SER 7 2HB SER 7 -50.804 -9.193 10.024 53 HG SER 7 HG SER 7 -52.391 -7.431 8.355 54 H ALA 8 H ALA 8 -51.526 -5.772 11.376 55 HA ALA 8 HA ALA 8 -54.083 -4.461 11.289 56 1HB ALA 8 1HB ALA 8 -52.064 -2.530 11.375 57 2HB ALA 8 2HB ALA 8 -52.903 -3.242 12.774 58 3HB ALA 8 3HB ALA 8 -51.357 -3.928 12.219 59 H GLU 9 H GLU 9 -54.385 -5.365 8.968 60 HA GLU 9 HA GLU 9 -52.973 -4.751 6.827 61 1HB GLU 9 1HB GLU 9 -54.932 -5.038 5.564 62 2HB GLU 9 2HB GLU 9 -55.339 -5.832 7.072 63 1HG GLU 9 1HG GLU 9 -56.307 -3.520 7.813 64 2HG GLU 9 2HG GLU 9 -56.201 -3.073 6.121 65 HE2 GLU 9 HE2 GLU 9 -59.455 -4.286 6.751 66 H SER 10 H SER 10 -52.950 -2.998 5.208 67 HA SER 10 HA SER 10 -53.071 -0.452 6.557 68 1HB SER 10 1HB SER 10 -51.946 -1.249 3.835 69 2HB SER 10 2HB SER 10 -51.847 0.365 4.510 70 HG SER 10 HG SER 10 -50.349 -1.921 5.112 71 H SER 11 H SER 11 -54.073 -1.872 3.352 72 HA SER 11 HA SER 11 -55.553 -1.164 1.891 73 1HB SER 11 1HB SER 11 -57.890 -1.220 2.739 74 2HB SER 11 2HB SER 11 -56.931 -2.540 3.378 75 HG SER 11 HG SER 11 -57.642 -0.083 4.734 76 H GLY 12 H GLY 12 -54.495 0.924 1.425 77 1HA GLY 12 1HA GLY 12 -56.073 3.093 1.231 78 2HA GLY 12 2HA GLY 12 -55.411 3.275 2.843 79 H CYS 13 H CYS 13 -52.842 2.622 2.850 80 HA CYS 13 HA CYS 13 -50.804 3.130 2.201 81 1HB CYS 13 1HB CYS 13 -51.946 2.359 -0.189 82 2HB CYS 13 2HB CYS 13 -51.336 3.956 -0.578 83 HG CYS 13 HG CYS 13 -49.887 1.177 -0.077 84 H ASN 14 H ASN 14 -51.619 4.995 3.716 85 HA ASN 14 HA ASN 14 -51.966 7.469 2.285 86 1HB ASN 14 1HB ASN 14 -52.619 6.431 4.945 87 2HB ASN 14 2HB ASN 14 -51.753 7.946 5.099 88 1HD2 ASN 14 1HD2 ASN 14 -53.978 8.396 6.016 89 2HD2 ASN 14 2HD2 ASN 14 -55.157 9.080 4.946 90 H SER 15 H SER 15 -49.368 5.850 2.340 91 HA SER 15 HA SER 15 -47.233 6.238 2.411 92 1HB SER 15 1HB SER 15 -47.983 8.575 1.615 93 2HB SER 15 2HB SER 15 -47.767 9.109 3.270 94 HG SER 15 HG SER 15 -45.818 8.316 1.349 95 H HIS 16 H HIS 16 -47.263 4.768 4.309 96 HA HIS 16 HA HIS 16 -45.804 5.769 6.431 97 1HB HIS 16 1HB HIS 16 -48.536 6.399 6.705 98 2HB HIS 16 2HB HIS 16 -48.265 5.043 7.781 99 HD1 HIS 16 HD1 HIS 16 -47.410 8.661 7.293 100 HD2 HIS 16 HD2 HIS 16 -46.486 5.552 9.953 101 HE1 HIS 16 HE1 HIS 16 -46.289 9.753 9.308 102 H MET 17 H MET 17 -44.697 3.857 5.594 103 HA MET 17 HA MET 17 -45.840 1.370 5.476 104 1HB MET 17 1HB MET 17 -43.141 2.579 5.531 105 2HB MET 17 2HB MET 17 -43.140 0.995 6.282 106 1HG MET 17 1HG MET 17 -44.490 0.225 4.157 107 2HG MET 17 2HG MET 17 -43.933 1.723 3.438 108 1HE MET 17 1HE MET 17 -41.874 -1.899 2.805 109 2HE MET 17 2HE MET 17 -43.574 -1.545 3.196 110 3HE MET 17 3HE MET 17 -42.801 -0.762 1.797 111 HA PRO 18 HA PRO 18 -46.029 -0.056 9.571 112 1HB PRO 18 1HB PRO 18 -45.364 -2.701 9.390 113 2HB PRO 18 2HB PRO 18 -46.942 -2.077 8.950 114 1HG PRO 18 1HG PRO 18 -44.740 -2.959 7.186 115 2HG PRO 18 2HG PRO 18 -46.435 -2.743 6.801 116 1HD PRO 18 1HD PRO 18 -44.282 -0.976 6.119 117 2HD PRO 18 2HD PRO 18 -45.990 -0.705 5.836 118 H TYR 19 H TYR 19 -44.897 -1.339 11.428 119 HA TYR 19 HA TYR 19 -42.697 0.012 12.158 120 1HB TYR 19 1HB TYR 19 -43.979 -2.646 12.628 121 2HB TYR 19 2HB TYR 19 -42.271 -2.662 13.020 122 HD1 TYR 19 HD1 TYR 19 -45.495 -0.973 13.787 123 HD2 TYR 19 HD2 TYR 19 -41.455 -1.657 15.018 124 HE1 TYR 19 HE1 TYR 19 -45.996 0.086 16.044 125 HE2 TYR 19 HE2 TYR 19 -41.969 -0.596 17.270 126 HH TYR 19 HH TYR 19 -45.051 -0.110 18.371 127 H GLY 20 H GLY 20 -41.067 0.483 10.685 128 1HA GLY 20 1HA GLY 20 -39.221 -1.677 10.126 129 2HA GLY 20 2HA GLY 20 -39.994 -0.993 8.710 130 H TYR 21 H TYR 21 -39.206 0.903 7.835 131 HA TYR 21 HA TYR 21 -36.766 1.868 8.361 132 1HB TYR 21 1HB TYR 21 -38.835 2.443 6.682 133 2HB TYR 21 2HB TYR 21 -39.077 3.778 7.792 134 HD1 TYR 21 HD1 TYR 21 -36.525 4.842 8.433 135 HD2 TYR 21 HD2 TYR 21 -37.799 3.122 4.729 136 HE1 TYR 21 HE1 TYR 21 -34.758 6.186 7.194 137 HE2 TYR 21 HE2 TYR 21 -36.028 4.472 3.502 138 HH TYR 21 HH TYR 21 -34.662 7.056 4.585 139 H ALA 22 H ALA 22 -39.813 2.822 10.030 140 HA ALA 22 HA ALA 22 -38.651 4.949 11.469 141 1HB ALA 22 1HB ALA 22 -41.093 3.229 12.068 142 2HB ALA 22 2HB ALA 22 -40.727 4.814 12.791 143 3HB ALA 22 3HB ALA 22 -41.075 4.690 11.050 144 H ALA 23 H ALA 23 -39.306 1.469 12.242 145 HA ALA 23 HA ALA 23 -38.124 1.700 14.827 146 1HB ALA 23 1HB ALA 23 -39.783 0.051 14.646 147 2HB ALA 23 2HB ALA 23 -39.171 -0.532 13.079 148 3HB ALA 23 3HB ALA 23 -38.278 -0.897 14.574 149 H GLN 24 H GLN 24 -36.842 1.804 11.719 150 HA GLN 24 HA GLN 24 -34.534 0.209 12.339 151 1HB GLN 24 1HB GLN 24 -35.459 1.764 9.905 152 2HB GLN 24 2HB GLN 24 -33.816 1.166 10.006 153 1HG GLN 24 1HG GLN 24 -35.819 -0.878 10.755 154 2HG GLN 24 2HG GLN 24 -36.037 -0.288 9.120 155 1HE2 GLN 24 1HE2 GLN 24 -33.687 -1.607 11.400 156 2HE2 GLN 24 2HE2 GLN 24 -32.641 -2.366 10.246 157 H ALA 25 H ALA 25 -35.600 3.218 13.252 158 HA ALA 25 HA ALA 25 -33.444 4.901 12.701 159 1HB ALA 25 1HB ALA 25 -35.568 5.771 13.446 160 2HB ALA 25 2HB ALA 25 -35.489 4.825 14.952 161 3HB ALA 25 3HB ALA 25 -34.357 6.173 14.687 162 H ARG 26 H ARG 26 -33.771 2.137 14.806 163 HA ARG 26 HA ARG 26 -31.854 2.949 16.685 164 1HB ARG 26 1HB ARG 26 -33.678 0.857 16.462 165 2HB ARG 26 2HB ARG 26 -32.157 0.022 16.220 166 1HG ARG 26 1HG ARG 26 -32.496 -0.030 18.580 167 2HG ARG 26 2HG ARG 26 -31.302 1.229 18.337 168 1HD ARG 26 1HD ARG 26 -33.085 2.968 18.447 169 2HD ARG 26 2HD ARG 26 -34.305 1.724 18.633 170 HE ARG 26 HE ARG 26 -32.476 2.691 20.696 171 1HH1 ARG 26 2HH2 ARG 26 -34.459 -0.067 19.686 172 2HH1 ARG 26 1HH2 ARG 26 -34.608 -0.706 21.289 173 1HH2 ARG 26 1HH ARG 26 -33.550 0.437 23.111 174 H ALA 27 H ALA 27 -31.789 1.367 13.500 175 HA ALA 27 HA ALA 27 -29.170 0.311 13.726 176 1HB ALA 27 1HB ALA 27 -29.904 -0.706 11.865 177 2HB ALA 27 2HB ALA 27 -31.350 0.332 11.861 178 3HB ALA 27 3HB ALA 27 -29.879 0.851 11.004 179 H ARG 28 H ARG 28 -30.581 3.464 12.886 180 HA ARG 28 HA ARG 28 -28.410 4.480 11.527 181 1HB ARG 28 1HB ARG 28 -30.929 5.399 12.325 182 2HB ARG 28 2HB ARG 28 -29.850 6.433 13.241 183 1HG ARG 28 1HG ARG 28 -28.769 6.236 10.585 184 2HG ARG 28 2HG ARG 28 -30.486 6.540 10.416 185 1HD ARG 28 1HD ARG 28 -29.039 8.182 12.475 186 2HD ARG 28 2HD ARG 28 -28.665 8.529 10.798 187 HE ARG 28 HE ARG 28 -31.149 9.138 12.169 188 1HH1 ARG 28 2HH2 ARG 28 -29.825 8.297 8.992 189 2HH1 ARG 28 1HH2 ARG 28 -31.117 9.049 8.117 190 1HH2 ARG 28 1HH ARG 28 -32.887 10.120 9.326 191 H GLU 29 H GLU 29 -29.077 4.014 14.988 192 HA GLU 29 HA GLU 29 -26.971 5.758 15.795 193 1HB GLU 29 1HB GLU 29 -29.090 4.142 17.095 194 2HB GLU 29 2HB GLU 29 -27.599 4.210 18.012 195 1HG GLU 29 1HG GLU 29 -28.317 6.230 18.773 196 2HG GLU 29 2HG GLU 29 -27.901 6.858 17.191 197 HE2 GLU 29 HE2 GLU 29 -30.027 7.046 15.661 198 H ARG 30 H ARG 30 -27.367 2.386 14.889 199 HA ARG 30 HA ARG 30 -24.922 1.647 16.199 200 1HB ARG 30 1HB ARG 30 -27.184 0.238 14.849 201 2HB ARG 30 2HB ARG 30 -25.621 -0.521 14.621 202 1HG ARG 30 1HG ARG 30 -25.295 -0.854 16.959 203 2HG ARG 30 2HG ARG 30 -26.492 0.349 17.395 204 1HD ARG 30 1HD ARG 30 -27.857 -1.472 17.708 205 2HD ARG 30 2HD ARG 30 -28.076 -1.378 15.971 206 HE ARG 30 HE ARG 30 -26.756 -3.306 15.708 207 1HH1 ARG 30 2HH2 ARG 30 -26.376 -2.070 19.007 208 2HH1 ARG 30 1HH2 ARG 30 -25.506 -3.462 19.561 209 1HH2 ARG 30 1HH ARG 30 -25.067 -5.256 18.034 210 H GLU 31 H GLU 31 -26.174 2.593 13.022 211 HA GLU 31 HA GLU 31 -24.190 1.487 11.446 212 1HB GLU 31 1HB GLU 31 -26.159 3.744 11.162 213 2HB GLU 31 2HB GLU 31 -24.867 3.643 9.982 214 1HG GLU 31 1HG GLU 31 -25.952 0.985 10.395 215 2HG GLU 31 2HG GLU 31 -27.278 2.090 10.095 216 HE2 GLU 31 HE2 GLU 31 -26.564 1.377 6.818 217 H ARG 32 H ARG 32 -24.089 4.066 13.763 218 HA ARG 32 HA ARG 32 -22.215 5.713 12.623 219 1HB ARG 32 1HB ARG 32 -23.610 5.839 14.896 220 2HB ARG 32 2HB ARG 32 -22.174 5.119 15.597 221 1HG ARG 32 1HG ARG 32 -21.593 7.393 13.777 222 2HG ARG 32 2HG ARG 32 -22.559 7.841 15.169 223 1HD ARG 32 1HD ARG 32 -20.465 6.077 16.089 224 2HD ARG 32 2HD ARG 32 -19.725 7.290 15.063 225 HE ARG 32 HE ARG 32 -20.985 7.740 17.664 226 1HH1 ARG 32 2HH2 ARG 32 -20.073 9.279 14.606 227 2HH1 ARG 32 1HH2 ARG 32 -20.024 10.874 15.280 228 1HH2 ARG 32 1HH ARG 32 -20.526 11.182 17.603 229 H LEU 33 H LEU 33 -21.944 2.510 14.095 230 HA LEU 33 HA LEU 33 -19.062 2.738 14.343 231 1HB LEU 33 1HB LEU 33 -21.064 1.333 15.694 232 2HB LEU 33 2HB LEU 33 -20.193 0.107 14.793 233 HG LEU 33 HG LEU 33 -18.152 1.619 15.906 234 1HD1 LEU 33 1HD1 LEU 33 -20.392 1.369 17.932 235 2HD1 LEU 33 2HD1 LEU 33 -18.701 1.783 18.306 236 3HD1 LEU 33 3HD1 LEU 33 -19.684 2.875 17.301 237 1HD2 LEU 33 1HD2 LEU 33 -19.303 -1.043 16.179 238 2HD2 LEU 33 2HD2 LEU 33 -17.601 -0.522 16.164 239 3HD2 LEU 33 3HD2 LEU 33 -18.531 -0.481 17.681 240 H ALA 34 H ALA 34 -21.422 1.976 11.973 241 HA ALA 34 HA ALA 34 -19.821 0.002 10.619 242 1HB ALA 34 1HB ALA 34 -21.719 -0.371 9.418 243 2HB ALA 34 2HB ALA 34 -22.496 0.558 10.722 244 3HB ALA 34 3HB ALA 34 -22.045 1.365 9.200 245 H HIS 35 H HIS 35 -19.291 3.173 11.193 246 HA HIS 35 HA HIS 35 -18.680 3.914 8.462 247 1HB HIS 35 1HB HIS 35 -19.633 5.347 10.561 248 2HB HIS 35 2HB HIS 35 -17.920 5.683 10.720 249 HD1 HIS 35 HD1 HIS 35 -20.726 7.212 9.329 250 HD2 HIS 35 HD2 HIS 35 -16.931 6.326 7.778 251 HE1 HIS 35 HE1 HIS 35 -20.380 8.780 7.346 252 H SER 36 H SER 36 -17.239 2.238 11.066 253 HA SER 36 HA SER 36 -14.586 3.154 10.434 254 1HB SER 36 1HB SER 36 -15.611 1.071 12.413 255 2HB SER 36 2HB SER 36 -13.922 1.505 12.239 256 HG SER 36 HG SER 36 -15.029 3.843 12.539 257 H ARG 37 H ARG 37 -16.861 0.685 9.508 258 HA ARG 37 HA ARG 37 -14.790 -1.109 8.657 259 1HB ARG 37 1HB ARG 37 -17.380 -1.510 9.524 260 2HB ARG 37 2HB ARG 37 -17.615 -1.580 7.789 261 1HG ARG 37 1HG ARG 37 -17.023 -3.782 8.049 262 2HG ARG 37 2HG ARG 37 -15.389 -3.150 7.997 263 1HD ARG 37 1HD ARG 37 -16.632 -3.025 10.697 264 2HD ARG 37 2HD ARG 37 -16.448 -4.654 10.080 265 HE ARG 37 HE ARG 37 -14.305 -2.858 10.895 266 1HH1 ARG 37 2HH2 ARG 37 -15.075 -5.575 8.755 267 2HH1 ARG 37 1HH2 ARG 37 -13.437 -6.130 8.666 268 1HH2 ARG 37 1HH ARG 37 -11.730 -4.949 9.863 269 H ALA 38 H ALA 38 -15.563 1.764 7.522 270 HA ALA 38 HA ALA 38 -16.206 1.058 4.783 271 1HB ALA 38 1HB ALA 38 -17.305 2.985 5.846 272 2HB ALA 38 2HB ALA 38 -15.720 3.729 6.164 273 3HB ALA 38 3HB ALA 38 -16.284 3.518 4.489 274 H ALA 39 H ALA 39 -13.580 2.784 6.613 275 HA ALA 39 HA ALA 39 -11.872 2.722 4.311 276 1HB ALA 39 1HB ALA 39 -12.057 4.109 6.815 277 2HB ALA 39 2HB ALA 39 -10.460 3.327 6.730 278 3HB ALA 39 3HB ALA 39 -10.975 4.442 5.441 279 H ALA 40 H ALA 40 -12.342 0.218 4.242 280 HA ALA 40 HA ALA 40 -10.752 -1.272 6.138 281 1HB ALA 40 1HB ALA 40 -12.483 -2.007 3.750 282 2HB ALA 40 2HB ALA 40 -11.573 -3.204 4.703 283 3HB ALA 40 3HB ALA 40 -12.850 -2.235 5.477 284 H ALA 41 H ALA 41 -10.864 -1.022 2.507 285 HA ALA 41 HA ALA 41 -9.234 -0.942 1.006 286 1HB ALA 41 1HB ALA 41 -7.219 0.099 1.520 287 2HB ALA 41 2HB ALA 41 -8.239 0.645 2.873 288 3HB ALA 41 3HB ALA 41 -7.092 -0.695 3.108 289 H ALA 42 H ALA 42 -10.232 -3.385 1.618 290 HA ALA 42 HA ALA 42 -7.854 -5.084 1.931 291 1HB ALA 42 1HB ALA 42 -10.333 -6.534 2.122 292 2HB ALA 42 2HB ALA 42 -9.094 -6.275 3.374 293 3HB ALA 42 3HB ALA 42 -10.422 -5.105 3.180 294 H ALA 43 H ALA 43 -11.122 -5.651 0.488 295 HA ALA 43 HA ALA 43 -10.253 -7.232 -1.563 296 1HB ALA 43 1HB ALA 43 -12.433 -7.041 -2.378 297 2HB ALA 43 2HB ALA 43 -12.638 -6.572 -0.673 298 3HB ALA 43 3HB ALA 43 -12.558 -5.321 -1.937 299 H VAL 44 H VAL 44 -9.899 -3.772 -1.135 300 HA VAL 44 HA VAL 44 -9.340 -3.388 -3.964 301 HB VAL 44 HB VAL 44 -10.125 -1.746 -1.677 302 1HG1 VAL 44 1HG1 VAL 44 -7.893 -0.802 -3.493 303 2HG1 VAL 44 2HG1 VAL 44 -8.974 0.319 -2.631 304 3HG1 VAL 44 3HG1 VAL 44 -7.947 -0.809 -1.714 305 1HG2 VAL 44 1HG2 VAL 44 -11.599 -0.962 -3.174 306 2HG2 VAL 44 2HG2 VAL 44 -10.326 -0.590 -4.361 307 3HG2 VAL 44 3HG2 VAL 44 -10.998 -2.235 -4.262 308 H ALA 45 H ALA 45 -7.766 -3.753 -0.801 309 HA ALA 45 HA ALA 45 -5.326 -2.648 -1.220 310 1HB ALA 45 1HB ALA 45 -5.123 -5.308 -0.020 311 2HB ALA 45 2HB ALA 45 -4.895 -3.706 0.722 312 3HB ALA 45 3HB ALA 45 -6.527 -4.405 0.599 313 H ALA 46 H ALA 46 -6.226 -6.082 -2.033 314 HA ALA 46 HA ALA 46 -3.858 -6.637 -3.380 315 1HB ALA 46 1HB ALA 46 -6.204 -7.968 -2.645 316 2HB ALA 46 2HB ALA 46 -6.208 -8.036 -4.424 317 3HB ALA 46 3HB ALA 46 -4.818 -8.672 -3.512 318 H ALA 47 H ALA 47 -7.043 -5.377 -4.543 319 HA ALA 47 HA ALA 47 -6.407 -5.384 -7.253 320 1HB ALA 47 1HB ALA 47 -8.137 -3.200 -6.203 321 2HB ALA 47 2HB ALA 47 -8.463 -4.412 -7.465 322 3HB ALA 47 3HB ALA 47 -8.611 -4.854 -5.747 323 H THR 48 H THR 48 -6.782 -2.740 -8.165 324 HA THR 48 HA THR 48 -5.385 -0.705 -7.104 325 HB THR 48 HB THR 48 -3.575 -2.928 -7.965 326 HG1 THR 48 HG1 THR 48 -3.522 -0.488 -6.332 327 1HG2 THR 48 1HG2 THR 48 -1.768 -1.334 -8.578 328 2HG2 THR 48 2HG2 THR 48 -3.107 -1.212 -9.745 329 3HG2 THR 48 3HG2 THR 48 -2.917 0.021 -8.476 330 H ALA 49 H ALA 49 -5.292 1.055 -8.490 331 HA ALA 49 HA ALA 49 -6.965 1.130 -10.601 332 1HB ALA 49 1HB ALA 49 -6.289 3.286 -10.679 333 2HB ALA 49 2HB ALA 49 -5.221 2.866 -9.318 334 3HB ALA 49 3HB ALA 49 -4.595 2.832 -10.984 335 H ALA 50 H ALA 50 -6.996 -0.412 -12.199 336 HA ALA 50 HA ALA 50 -4.499 -1.285 -13.359 337 1HB ALA 50 1HB ALA 50 -7.400 -1.993 -13.963 338 2HB ALA 50 2HB ALA 50 -5.968 -2.825 -14.614 339 3HB ALA 50 3HB ALA 50 -6.314 -2.884 -12.870 340 H VAL 51 H VAL 51 -4.585 1.407 -13.737 341 HA VAL 51 HA VAL 51 -5.288 1.596 -16.581 342 HB VAL 51 HB VAL 51 -6.839 2.796 -14.928 343 1HG1 VAL 51 1HG1 VAL 51 -6.078 4.416 -13.579 344 2HG1 VAL 51 2HG1 VAL 51 -4.447 3.795 -13.930 345 3HG1 VAL 51 3HG1 VAL 51 -5.105 5.152 -14.875 346 1HG2 VAL 51 1HG2 VAL 51 -6.205 3.278 -17.511 347 2HG2 VAL 51 2HG2 VAL 51 -7.412 4.218 -16.602 348 3HG2 VAL 51 3HG2 VAL 51 -5.756 4.843 -16.791 349 H GLU 52 H GLU 52 -2.845 0.641 -16.008 350 HA GLU 52 HA GLU 52 -1.130 2.995 -15.985 351 1HB GLU 52 1HB GLU 52 -0.788 1.191 -14.218 352 2HB GLU 52 2HB GLU 52 -0.318 0.097 -15.504 353 1HG GLU 52 1HG GLU 52 1.793 0.892 -15.129 354 2HG GLU 52 2HG GLU 52 1.277 2.262 -16.092 355 HE2 GLU 52 HE2 GLU 52 1.358 1.109 -12.862 356 H GLY 53 H GLY 53 0.518 3.230 -17.614 357 1HA GLY 53 1HA GLY 53 0.297 1.362 -19.889 358 2HA GLY 53 2HA GLY 53 0.158 3.093 -20.126 359 H THR 54 H THR 54 2.006 4.418 -20.110 360 HA THR 54 HA THR 54 4.469 3.648 -19.015 361 HB THR 54 HB THR 54 4.284 1.946 -20.904 362 HG1 THR 54 HG1 THR 54 6.388 2.584 -20.263 363 1HG2 THR 54 1HG2 THR 54 4.072 2.583 -23.111 364 2HG2 THR 54 2HG2 THR 54 3.339 4.059 -22.436 365 3HG2 THR 54 3HG2 THR 54 5.064 4.041 -22.873 366 H GLY 55 H GLY 55 6.283 5.140 -19.828 367 1HA GLY 55 1HA GLY 55 5.381 7.787 -19.614 368 2HA GLY 55 2HA GLY 55 6.992 7.260 -20.060 369 H GLY 56 H GLY 56 7.645 8.115 -21.979 370 1HA GLY 56 1HA GLY 56 5.628 8.854 -23.958 371 2HA GLY 56 2HA GLY 56 7.318 9.316 -23.930 372 H SER 57 H SER 57 5.016 7.295 -25.401 373 HA SER 57 HA SER 57 7.178 5.787 -26.612 374 1HB SER 57 1HB SER 57 4.732 4.681 -25.240 375 2HB SER 57 2HB SER 57 5.327 3.849 -26.663 376 HG SER 57 HG SER 57 7.039 3.125 -25.573 377 H GLY 58 H GLY 58 7.020 5.772 -28.847 378 1HA GLY 58 1HA GLY 58 4.595 5.704 -30.271 379 2HA GLY 58 2HA GLY 58 5.129 7.369 -30.153 380 H GLY 59 H GLY 59 4.969 5.993 -32.641 381 1HA GLY 59 1HA GLY 59 7.656 6.371 -33.582 382 2HA GLY 59 2HA GLY 59 7.165 4.689 -33.593 383 H GLY 60 H GLY 60 6.740 4.202 -35.721 384 1HA GLY 60 1HA GLY 60 4.655 4.397 -37.143 385 2HA GLY 60 2HA GLY 60 5.057 6.101 -37.233 386 HA PRO 61 HA PRO 61 7.369 3.700 -40.454 387 1HB PRO 61 1HB PRO 61 5.852 4.188 -42.674 388 2HB PRO 61 2HB PRO 61 5.734 2.711 -41.739 389 1HG PRO 61 1HG PRO 61 3.875 5.008 -41.817 390 2HG PRO 61 2HG PRO 61 3.583 3.378 -41.242 391 1HD PRO 61 1HD PRO 61 4.037 5.710 -39.635 392 2HD PRO 61 2HD PRO 61 3.860 4.062 -39.065 393 H HIS 62 H HIS 62 9.189 4.690 -41.031 394 HA HIS 62 HA HIS 62 8.820 7.274 -42.304 395 1HB HIS 62 1HB HIS 62 9.982 8.512 -40.804 396 2HB HIS 62 2HB HIS 62 9.299 7.339 -39.696 397 HD1 HIS 62 HD1 HIS 62 10.926 5.470 -38.756 398 HD2 HIS 62 HD2 HIS 62 12.771 8.431 -41.085 399 HE1 HIS 62 HE1 HIS 62 13.433 5.256 -38.330 400 H HIS 63 H HIS 63 11.102 8.044 -43.164 401 HA HIS 63 HA HIS 63 12.642 7.631 -44.682 402 1HB HIS 63 1HB HIS 63 14.183 7.200 -43.053 403 2HB HIS 63 2HB HIS 63 13.299 5.833 -42.404 404 HD1 HIS 63 HD1 HIS 63 14.478 6.205 -46.021 405 HD2 HIS 63 HD2 HIS 63 15.236 3.882 -42.611 406 HE1 HIS 63 HE1 HIS 63 16.076 4.356 -46.756 407 H HIS 64 H HIS 64 11.566 7.075 -46.565 408 HA HIS 64 HA HIS 64 11.131 4.198 -46.926 409 1HB HIS 64 1HB HIS 64 9.500 6.584 -47.685 410 2HB HIS 64 2HB HIS 64 9.511 5.221 -48.787 411 HD1 HIS 64 HD1 HIS 64 6.987 4.750 -48.243 412 HD2 HIS 64 HD2 HIS 64 9.577 4.392 -44.964 413 HE1 HIS 64 HE1 HIS 64 5.662 3.565 -46.412 414 H HIS 65 H HIS 65 13.227 3.759 -47.734 415 HA HIS 65 HA HIS 65 14.762 5.176 -49.371 416 1HB HIS 65 1HB HIS 65 15.809 3.177 -50.019 417 2HB HIS 65 2HB HIS 65 15.149 2.863 -48.427 418 HD1 HIS 65 HD1 HIS 65 15.631 1.052 -51.316 419 HD2 HIS 65 HD2 HIS 65 12.176 1.814 -49.062 420 HE1 HIS 65 HE1 HIS 65 13.979 -0.806 -51.889 421 H GLN 66 H GLN 66 14.564 6.184 -51.305 422 HA GLN 66 HA GLN 66 12.237 6.136 -52.731 423 1HB GLN 66 1HB GLN 66 14.370 7.728 -52.770 424 2HB GLN 66 2HB GLN 66 14.855 6.720 -54.119 425 1HG GLN 66 1HG GLN 66 13.384 7.754 -55.503 426 2HG GLN 66 2HG GLN 66 12.049 7.411 -54.421 427 1HE2 GLN 66 1HE2 GLN 66 11.062 9.047 -53.519 428 2HE2 GLN 66 2HE2 GLN 66 11.673 10.654 -53.307 429 H THR 67 H THR 67 12.488 5.683 -55.375 430 HA THR 67 HA THR 67 12.423 2.863 -55.555 431 HB THR 67 HB THR 67 12.364 3.667 -58.125 432 HG1 THR 67 HG1 THR 67 13.182 5.823 -57.212 433 1HG2 THR 67 1HG2 THR 67 10.370 3.655 -55.964 434 2HG2 THR 67 2HG2 THR 67 10.025 4.935 -57.151 435 3HG2 THR 67 3HG2 THR 67 10.158 3.241 -57.682 436 H ARG 68 H ARG 68 13.977 1.397 -55.855 437 HA ARG 68 HA ARG 68 16.608 2.097 -55.815 438 1HB ARG 68 1HB ARG 68 17.052 -0.273 -56.439 439 2HB ARG 68 2HB ARG 68 15.764 -0.168 -55.255 440 1HG ARG 68 1HG ARG 68 14.651 -1.535 -56.729 441 2HG ARG 68 2HG ARG 68 14.268 -0.025 -57.532 442 1HD ARG 68 1HD ARG 68 16.362 -0.312 -58.948 443 2HD ARG 68 2HD ARG 68 16.597 -1.885 -58.211 444 HE ARG 68 HE ARG 68 14.574 -1.176 -60.212 445 1HH1 ARG 68 2HH2 ARG 68 15.459 -3.494 -57.682 446 2HH1 ARG 68 1HH2 ARG 68 14.468 -4.761 -58.324 447 1HH2 ARG 68 1HH ARG 68 13.187 -4.359 -60.310 448 H GLY 69 H GLY 69 18.321 1.843 -57.512 449 1HA GLY 69 1HA GLY 69 18.448 1.349 -60.015 450 2HA GLY 69 2HA GLY 69 17.293 2.660 -60.153 451 H ALA 70 H ALA 70 20.647 1.772 -59.476 452 HA ALA 70 HA ALA 70 21.352 4.600 -59.733 453 1HB ALA 70 1HB ALA 70 22.959 4.415 -57.917 454 2HB ALA 70 2HB ALA 70 21.353 3.943 -57.311 455 3HB ALA 70 3HB ALA 70 22.563 2.694 -57.691 456 H TYR 71 H TYR 71 21.651 3.810 -62.001 457 HA TYR 71 HA TYR 71 24.374 3.123 -62.410 458 1HB TYR 71 1HB TYR 71 23.059 0.914 -61.837 459 2HB TYR 71 2HB TYR 71 22.182 1.171 -63.332 460 HD1 TYR 71 HD1 TYR 71 25.811 1.365 -62.360 461 HD2 TYR 71 HD2 TYR 71 22.872 -0.274 -65.001 462 HE1 TYR 71 HE1 TYR 71 27.636 0.149 -63.646 463 HE2 TYR 71 HE2 TYR 71 24.706 -1.485 -66.279 464 HH TYR 71 HH TYR 71 28.113 -1.090 -65.348 465 H SER 72 H SER 72 25.005 3.361 -64.647 466 HA SER 72 HA SER 72 23.062 3.777 -66.624 467 1HB SER 72 1HB SER 72 23.534 6.208 -67.038 468 2HB SER 72 2HB SER 72 22.675 5.915 -65.539 469 HG SER 72 HG SER 72 25.471 5.881 -65.267 470 H SER 73 H SER 73 24.045 3.684 -68.692 471 HA SER 73 HA SER 73 26.692 4.398 -69.128 472 1HB SER 73 1HB SER 73 27.718 2.164 -69.445 473 2HB SER 73 2HB SER 73 27.246 2.419 -67.777 474 HG SER 73 HG SER 73 26.615 0.307 -68.536 475 H HIS 74 H HIS 74 27.094 4.450 -71.384 476 HA HIS 74 HA HIS 74 25.430 2.876 -73.116 477 1HB HIS 74 1HB HIS 74 24.736 5.612 -72.463 478 2HB HIS 74 2HB HIS 74 25.121 5.472 -74.167 479 HD1 HIS 74 HD1 HIS 74 23.948 2.680 -74.804 480 HD2 HIS 74 HD2 HIS 74 21.996 5.574 -72.477 481 HE1 HIS 74 HE1 HIS 74 21.460 2.127 -74.915 482 H ASP 75 H ASP 75 27.357 1.944 -73.882 483 HA ASP 75 HA ASP 75 29.577 3.504 -74.537 484 1HB ASP 75 1HB ASP 75 28.684 0.699 -75.324 485 2HB ASP 75 2HB ASP 75 30.208 1.367 -75.873 486 HD2 ASP 75 HD2 ASP 75 31.929 1.179 -74.335 Start of MODEL 20 1 H MET 1 H MET 1 -53.972 20.006 37.323 2 HA MET 1 HA MET 1 -52.473 17.708 38.215 3 1HB MET 1 1HB MET 1 -53.840 18.188 35.912 4 2HB MET 1 2HB MET 1 -52.293 18.842 35.413 5 1HG MET 1 1HG MET 1 -51.612 16.723 34.955 6 2HG MET 1 2HG MET 1 -51.649 16.386 36.674 7 1HE MET 1 1HE MET 1 -51.933 13.951 35.692 8 2HE MET 1 2HE MET 1 -52.783 14.132 37.245 9 3HE MET 1 3HE MET 1 -53.558 13.257 35.902 10 H GLU 2 H GLU 2 -50.120 17.507 37.450 11 HA GLU 2 HA GLU 2 -48.838 20.047 38.016 12 1HB GLU 2 1HB GLU 2 -48.343 17.298 38.779 13 2HB GLU 2 2HB GLU 2 -46.934 17.909 37.936 14 1HG GLU 2 1HG GLU 2 -46.724 18.399 40.333 15 2HG GLU 2 2HG GLU 2 -46.887 19.902 39.445 16 HE2 GLU 2 HE2 GLU 2 -48.209 18.165 41.971 17 H VAL 3 H VAL 3 -49.319 20.803 35.767 18 HA VAL 3 HA VAL 3 -48.868 21.065 33.608 19 HB VAL 3 HB VAL 3 -46.613 21.422 35.105 20 1HG1 VAL 3 1HG1 VAL 3 -45.961 19.053 34.203 21 2HG1 VAL 3 2HG1 VAL 3 -45.579 19.932 32.703 22 3HG1 VAL 3 3HG1 VAL 3 -44.749 20.358 34.219 23 1HG2 VAL 3 1HG2 VAL 3 -45.747 22.279 32.679 24 2HG2 VAL 3 2HG2 VAL 3 -47.485 22.084 32.349 25 3HG2 VAL 3 3HG2 VAL 3 -46.944 23.144 33.672 26 H ALA 4 H ALA 4 -47.288 19.925 31.689 27 HA ALA 4 HA ALA 4 -48.514 17.324 31.468 28 1HB ALA 4 1HB ALA 4 -47.351 17.478 29.171 29 2HB ALA 4 2HB ALA 4 -48.630 18.666 29.516 30 3HB ALA 4 3HB ALA 4 -46.919 19.140 29.637 31 H MET 5 H MET 5 -47.553 15.451 32.067 32 HA MET 5 HA MET 5 -45.033 15.441 33.203 33 1HB MET 5 1HB MET 5 -45.335 12.903 33.045 34 2HB MET 5 2HB MET 5 -46.702 13.737 33.758 35 1HG MET 5 1HG MET 5 -46.886 13.524 30.805 36 2HG MET 5 2HG MET 5 -46.833 11.966 31.604 37 1HE MET 5 1HE MET 5 -49.083 11.271 30.896 38 2HE MET 5 2HE MET 5 -48.941 10.868 32.624 39 3HE MET 5 3HE MET 5 -50.458 11.552 31.991 40 H VAL 6 H VAL 6 -42.987 14.629 32.492 41 HA VAL 6 HA VAL 6 -42.571 14.962 29.668 42 HB VAL 6 HB VAL 6 -40.549 14.107 31.730 43 1HG1 VAL 6 1HG1 VAL 6 -39.080 15.577 30.252 44 2HG1 VAL 6 2HG1 VAL 6 -39.650 14.050 29.537 45 3HG1 VAL 6 3HG1 VAL 6 -40.429 15.587 29.091 46 1HG2 VAL 6 1HG2 VAL 6 -40.919 15.975 32.897 47 2HG2 VAL 6 2HG2 VAL 6 -40.380 16.898 31.473 48 3HG2 VAL 6 3HG2 VAL 6 -42.111 16.553 31.709 49 H SER 7 H SER 7 -41.288 13.318 28.401 50 HA SER 7 HA SER 7 -41.187 11.348 27.492 51 1HB SER 7 1HB SER 7 -40.081 11.062 29.989 52 2HB SER 7 2HB SER 7 -41.299 9.803 30.043 53 HG SER 7 HG SER 7 -39.667 9.984 27.705 54 H ALA 8 H ALA 8 -43.330 11.446 26.557 55 HA ALA 8 HA ALA 8 -45.596 10.562 28.017 56 1HB ALA 8 1HB ALA 8 -45.709 10.441 25.070 57 2HB ALA 8 2HB ALA 8 -46.709 11.367 26.215 58 3HB ALA 8 3HB ALA 8 -45.124 11.997 25.706 59 H GLU 9 H GLU 9 -45.287 8.496 28.885 60 HA GLU 9 HA GLU 9 -45.630 6.398 27.017 61 1HB GLU 9 1HB GLU 9 -43.098 6.792 27.040 62 2HB GLU 9 2HB GLU 9 -43.104 6.281 28.716 63 1HG GLU 9 1HG GLU 9 -44.406 4.163 27.792 64 2HG GLU 9 2HG GLU 9 -43.750 4.651 26.242 65 HE2 GLU 9 HE2 GLU 9 -42.497 3.087 29.274 66 H SER 10 H SER 10 -46.354 4.423 28.063 67 HA SER 10 HA SER 10 -46.465 4.487 30.934 68 1HB SER 10 1HB SER 10 -48.625 5.516 29.518 69 2HB SER 10 2HB SER 10 -49.108 3.848 29.757 70 HG SER 10 HG SER 10 -48.581 5.880 31.706 71 H SER 11 H SER 11 -47.857 2.846 27.992 72 HA SER 11 HA SER 11 -46.422 0.490 28.588 73 1HB SER 11 1HB SER 11 -48.563 -0.940 28.767 74 2HB SER 11 2HB SER 11 -48.084 -0.041 30.193 75 HG SER 11 HG SER 11 -50.240 0.426 29.994 76 H GLY 12 H GLY 12 -45.689 0.633 26.427 77 1HA GLY 12 1HA GLY 12 -45.748 0.284 24.208 78 2HA GLY 12 2HA GLY 12 -47.293 -0.513 24.429 79 H CYS 13 H CYS 13 -45.873 2.837 24.464 80 HA CYS 13 HA CYS 13 -47.766 3.677 22.515 81 1HB CYS 13 1HB CYS 13 -48.769 3.787 25.075 82 2HB CYS 13 2HB CYS 13 -48.087 5.392 24.895 83 HG CYS 13 HG CYS 13 -50.259 3.771 23.003 84 H ASN 14 H ASN 14 -45.315 3.755 21.854 85 HA ASN 14 HA ASN 14 -44.045 6.109 22.965 86 1HB ASN 14 1HB ASN 14 -43.124 3.574 21.822 87 2HB ASN 14 2HB ASN 14 -42.390 4.911 20.960 88 1HD2 ASN 14 1HD2 ASN 14 -40.383 4.928 21.708 89 2HD2 ASN 14 2HD2 ASN 14 -39.908 5.114 23.364 90 H SER 15 H SER 15 -46.438 6.049 21.055 91 HA SER 15 HA SER 15 -47.170 7.103 19.306 92 1HB SER 15 1HB SER 15 -44.546 8.591 19.648 93 2HB SER 15 2HB SER 15 -45.644 8.998 18.345 94 HG SER 15 HG SER 15 -45.948 10.271 20.337 95 H HIS 16 H HIS 16 -47.354 5.511 17.721 96 HA HIS 16 HA HIS 16 -45.059 5.297 15.921 97 1HB HIS 16 1HB HIS 16 -46.296 3.203 17.514 98 2HB HIS 16 2HB HIS 16 -46.402 2.837 15.803 99 HD1 HIS 16 HD1 HIS 16 -44.495 1.405 15.097 100 HD2 HIS 16 HD2 HIS 16 -43.355 4.200 18.010 101 HE1 HIS 16 HE1 HIS 16 -42.004 1.036 15.506 102 H MET 17 H MET 17 -46.465 7.134 14.985 103 HA MET 17 HA MET 17 -48.964 6.431 13.921 104 1HB MET 17 1HB MET 17 -47.232 8.747 14.123 105 2HB MET 17 2HB MET 17 -47.689 8.585 12.439 106 1HG MET 17 1HG MET 17 -49.691 8.560 14.749 107 2HG MET 17 2HG MET 17 -49.290 9.993 13.824 108 1HE MET 17 1HE MET 17 -52.377 7.850 13.904 109 2HE MET 17 2HE MET 17 -51.902 9.553 14.102 110 3HE MET 17 3HE MET 17 -52.822 9.047 12.665 111 HA PRO 18 HA PRO 18 -46.465 5.899 9.923 112 1HB PRO 18 1HB PRO 18 -43.733 5.865 10.009 113 2HB PRO 18 2HB PRO 18 -44.663 7.300 9.621 114 1HG PRO 18 1HG PRO 18 -43.243 6.633 12.127 115 2HG PRO 18 2HG PRO 18 -43.803 8.196 11.565 116 1HD PRO 18 1HD PRO 18 -45.029 6.554 13.572 117 2HD PRO 18 2HD PRO 18 -45.650 8.061 12.927 118 H TYR 19 H TYR 19 -45.259 4.101 8.753 119 HA TYR 19 HA TYR 19 -46.013 1.716 9.937 120 1HB TYR 19 1HB TYR 19 -45.174 2.599 7.495 121 2HB TYR 19 2HB TYR 19 -43.629 1.989 8.054 122 HD1 TYR 19 HD1 TYR 19 -47.097 1.039 7.177 123 HD2 TYR 19 HD2 TYR 19 -43.185 -0.376 8.179 124 HE1 TYR 19 HE1 TYR 19 -47.748 -1.306 6.441 125 HE2 TYR 19 HE2 TYR 19 -43.850 -2.716 7.440 126 HH TYR 19 HH TYR 19 -46.709 -3.795 7.238 127 H GLY 20 H GLY 20 -44.339 -0.191 10.231 128 1HA GLY 20 1HA GLY 20 -42.781 0.450 12.519 129 2HA GLY 20 2HA GLY 20 -42.872 -1.091 11.688 130 H TYR 21 H TYR 21 -42.195 1.004 9.217 131 HA TYR 21 HA TYR 21 -39.508 0.160 9.024 132 1HB TYR 21 1HB TYR 21 -41.476 2.050 7.669 133 2HB TYR 21 2HB TYR 21 -39.787 2.208 7.227 134 HD1 TYR 21 HD1 TYR 21 -38.701 -0.382 6.931 135 HD2 TYR 21 HD2 TYR 21 -42.701 0.883 6.094 136 HE1 TYR 21 HE1 TYR 21 -38.964 -2.289 5.269 137 HE2 TYR 21 HE2 TYR 21 -42.951 -1.028 4.436 138 HH TYR 21 HH TYR 21 -41.543 -2.418 3.069 139 H ALA 22 H ALA 22 -41.031 2.737 10.765 140 HA ALA 22 HA ALA 22 -38.791 4.530 10.598 141 1HB ALA 22 1HB ALA 22 -40.632 5.810 10.980 142 2HB ALA 22 2HB ALA 22 -41.524 4.476 11.751 143 3HB ALA 22 3HB ALA 22 -40.329 5.406 12.687 144 H ALA 23 H ALA 23 -39.105 1.539 11.934 145 HA ALA 23 HA ALA 23 -37.925 2.189 14.506 146 1HB ALA 23 1HB ALA 23 -38.181 -0.630 13.586 147 2HB ALA 23 2HB ALA 23 -38.633 0.113 15.139 148 3HB ALA 23 3HB ALA 23 -39.702 0.283 13.725 149 H GLN 24 H GLN 24 -36.676 2.560 11.647 150 HA GLN 24 HA GLN 24 -34.447 0.754 11.888 151 1HB GLN 24 1HB GLN 24 -35.169 2.868 9.814 152 2HB GLN 24 2HB GLN 24 -33.712 1.899 9.735 153 1HG GLN 24 1HG GLN 24 -36.586 0.871 9.684 154 2HG GLN 24 2HG GLN 24 -35.446 0.854 8.353 155 1HE2 GLN 24 1HE2 GLN 24 -33.170 -0.061 9.248 156 2HE2 GLN 24 2HE2 GLN 24 -33.286 -1.645 9.942 157 H ALA 25 H ALA 25 -35.353 3.587 13.364 158 HA ALA 25 HA ALA 25 -33.129 5.246 13.076 159 1HB ALA 25 1HB ALA 25 -34.739 4.987 15.623 160 2HB ALA 25 2HB ALA 25 -34.068 6.450 14.864 161 3HB ALA 25 3HB ALA 25 -35.477 5.638 14.140 162 H ARG 26 H ARG 26 -33.554 2.160 14.648 163 HA ARG 26 HA ARG 26 -31.570 2.528 16.596 164 1HB ARG 26 1HB ARG 26 -33.505 0.635 16.141 165 2HB ARG 26 2HB ARG 26 -32.104 -0.232 15.544 166 1HG ARG 26 1HG ARG 26 -31.691 -0.788 17.711 167 2HG ARG 26 2HG ARG 26 -31.146 0.863 17.923 168 1HD ARG 26 1HD ARG 26 -34.025 -0.087 18.329 169 2HD ARG 26 2HD ARG 26 -32.874 0.195 19.620 170 HE ARG 26 HE ARG 26 -34.345 2.224 18.140 171 1HH1 ARG 26 2HH2 ARG 26 -31.338 1.635 19.919 172 2HH1 ARG 26 1HH2 ARG 26 -31.103 3.304 20.320 173 1HH2 ARG 26 1HH ARG 26 -32.701 4.926 19.575 174 H ALA 27 H ALA 27 -31.632 1.556 13.175 175 HA ALA 27 HA ALA 27 -29.063 0.362 13.140 176 1HB ALA 27 1HB ALA 27 -31.084 0.167 11.494 177 2HB ALA 27 2HB ALA 27 -30.419 1.648 10.764 178 3HB ALA 27 3HB ALA 27 -29.432 0.168 10.830 179 H ARG 28 H ARG 28 -30.335 3.675 12.925 180 HA ARG 28 HA ARG 28 -28.140 4.827 11.722 181 1HB ARG 28 1HB ARG 28 -30.597 5.699 12.693 182 2HB ARG 28 2HB ARG 28 -29.488 6.467 13.813 183 1HG ARG 28 1HG ARG 28 -29.813 7.999 11.965 184 2HG ARG 28 2HG ARG 28 -28.185 7.364 11.831 185 1HD ARG 28 1HD ARG 28 -28.728 5.975 9.988 186 2HD ARG 28 2HD ARG 28 -30.436 5.947 10.379 187 HE ARG 28 HE ARG 28 -30.708 7.878 9.101 188 1HH1 ARG 28 2HH2 ARG 28 -27.313 7.681 10.096 189 2HH1 ARG 28 1HH2 ARG 28 -26.835 9.069 9.178 190 1HH2 ARG 28 1HH ARG 28 -28.476 10.246 7.888 191 H GLU 29 H GLU 29 -28.773 3.763 15.055 192 HA GLU 29 HA GLU 29 -26.573 5.234 16.114 193 1HB GLU 29 1HB GLU 29 -28.611 3.292 17.192 194 2HB GLU 29 2HB GLU 29 -27.149 3.553 18.121 195 1HG GLU 29 1HG GLU 29 -27.580 5.927 18.321 196 2HG GLU 29 2HG GLU 29 -28.840 5.875 17.105 197 HE2 GLU 29 HE2 GLU 29 -28.063 4.346 20.110 198 H ARG 30 H ARG 30 -27.145 2.106 14.618 199 HA ARG 30 HA ARG 30 -24.718 1.032 15.710 200 1HB ARG 30 1HB ARG 30 -27.067 -0.004 14.182 201 2HB ARG 30 2HB ARG 30 -25.546 -0.776 13.781 202 1HG ARG 30 1HG ARG 30 -25.794 -2.056 15.637 203 2HG ARG 30 2HG ARG 30 -25.497 -0.620 16.596 204 1HD ARG 30 1HD ARG 30 -28.287 -1.117 15.523 205 2HD ARG 30 2HD ARG 30 -27.742 -2.016 16.925 206 HE ARG 30 HE ARG 30 -28.415 0.815 16.839 207 1HH1 ARG 30 2HH2 ARG 30 -26.409 -1.574 18.519 208 2HH1 ARG 30 1HH2 ARG 30 -26.295 -0.639 19.972 209 1HH2 ARG 30 1HH ARG 30 -27.393 1.488 20.089 210 H GLU 31 H GLU 31 -25.974 2.599 12.791 211 HA GLU 31 HA GLU 31 -24.001 1.716 11.033 212 1HB GLU 31 1HB GLU 31 -26.298 3.382 10.944 213 2HB GLU 31 2HB GLU 31 -24.975 4.391 10.396 214 1HG GLU 31 1HG GLU 31 -24.439 2.937 8.588 215 2HG GLU 31 2HG GLU 31 -25.274 1.575 9.308 216 HE2 GLU 31 HE2 GLU 31 -27.244 3.648 6.737 217 H ARG 32 H ARG 32 -24.061 4.145 13.583 218 HA ARG 32 HA ARG 32 -22.103 5.826 12.655 219 1HB ARG 32 1HB ARG 32 -23.617 6.070 14.732 220 2HB ARG 32 2HB ARG 32 -22.495 5.022 15.577 221 1HG ARG 32 1HG ARG 32 -21.090 7.186 14.159 222 2HG ARG 32 2HG ARG 32 -22.279 7.818 15.281 223 1HD ARG 32 1HD ARG 32 -21.298 6.504 17.131 224 2HD ARG 32 2HD ARG 32 -20.178 5.728 16.029 225 HE ARG 32 HE ARG 32 -19.962 8.627 15.905 226 1HH1 ARG 32 2HH2 ARG 32 -18.963 5.789 17.777 227 2HH1 ARG 32 1HH2 ARG 32 -17.548 6.556 18.417 228 1HH2 ARG 32 1HH ARG 32 -17.058 8.819 17.800 229 H LEU 33 H LEU 33 -21.949 2.580 14.083 230 HA LEU 33 HA LEU 33 -19.080 2.781 14.479 231 1HB LEU 33 1HB LEU 33 -21.160 1.387 15.720 232 2HB LEU 33 2HB LEU 33 -20.257 0.159 14.856 233 HG LEU 33 HG LEU 33 -18.229 1.564 16.048 234 1HD1 LEU 33 1HD1 LEU 33 -20.262 2.769 17.254 235 2HD1 LEU 33 2HD1 LEU 33 -20.164 1.337 18.308 236 3HD1 LEU 33 3HD1 LEU 33 -18.746 2.394 18.107 237 1HD2 LEU 33 1HD2 LEU 33 -19.716 -0.942 16.671 238 2HD2 LEU 33 2HD2 LEU 33 -18.013 -0.694 16.218 239 3HD2 LEU 33 3HD2 LEU 33 -18.553 -0.344 17.877 240 H ALA 34 H ALA 34 -21.326 2.055 11.990 241 HA ALA 34 HA ALA 34 -19.677 0.074 10.706 242 1HB ALA 34 1HB ALA 34 -22.077 1.619 9.650 243 2HB ALA 34 2HB ALA 34 -21.410 0.097 9.012 244 3HB ALA 34 3HB ALA 34 -22.192 0.125 10.611 245 H HIS 35 H HIS 35 -19.149 3.236 11.324 246 HA HIS 35 HA HIS 35 -18.395 3.987 8.632 247 1HB HIS 35 1HB HIS 35 -19.498 5.451 10.554 248 2HB HIS 35 2HB HIS 35 -17.829 5.678 11.037 249 HD1 HIS 35 HD1 HIS 35 -16.616 7.552 9.905 250 HD2 HIS 35 HD2 HIS 35 -19.905 6.215 7.671 251 HE1 HIS 35 HE1 HIS 35 -16.806 9.122 7.903 252 H SER 36 H SER 36 -17.101 2.283 11.294 253 HA SER 36 HA SER 36 -14.412 3.179 10.802 254 1HB SER 36 1HB SER 36 -15.319 2.654 13.122 255 2HB SER 36 2HB SER 36 -15.387 0.965 12.658 256 HG SER 36 HG SER 36 -12.966 1.437 12.037 257 H ARG 37 H ARG 37 -16.659 0.735 9.749 258 HA ARG 37 HA ARG 37 -14.563 -1.072 8.991 259 1HB ARG 37 1HB ARG 37 -17.195 -1.455 9.726 260 2HB ARG 37 2HB ARG 37 -17.346 -1.512 7.981 261 1HG ARG 37 1HG ARG 37 -16.392 -3.573 7.880 262 2HG ARG 37 2HG ARG 37 -15.014 -3.054 8.831 263 1HD ARG 37 1HD ARG 37 -17.016 -3.171 10.760 264 2HD ARG 37 2HD ARG 37 -17.472 -4.487 9.696 265 HE ARG 37 HE ARG 37 -14.776 -4.915 9.997 266 1HH1 ARG 37 2HH2 ARG 37 -17.367 -4.358 12.349 267 2HH1 ARG 37 1HH2 ARG 37 -16.601 -5.282 13.598 268 1HH2 ARG 37 1HH ARG 37 -14.484 -6.317 13.162 269 H ALA 38 H ALA 38 -15.255 1.814 7.836 270 HA ALA 38 HA ALA 38 -15.802 1.154 5.073 271 1HB ALA 38 1HB ALA 38 -15.338 3.744 6.597 272 2HB ALA 38 2HB ALA 38 -15.618 3.673 4.840 273 3HB ALA 38 3HB ALA 38 -16.878 3.113 5.966 274 H ALA 39 H ALA 39 -13.134 2.565 7.082 275 HA ALA 39 HA ALA 39 -11.326 2.977 5.045 276 1HB ALA 39 1HB ALA 39 -10.553 1.993 7.803 277 2HB ALA 39 2HB ALA 39 -9.729 3.188 6.772 278 3HB ALA 39 3HB ALA 39 -11.271 3.603 7.560 279 H ALA 40 H ALA 40 -12.585 -0.001 6.377 280 HA ALA 40 HA ALA 40 -10.531 -1.762 6.058 281 1HB ALA 40 1HB ALA 40 -12.652 -3.231 5.200 282 2HB ALA 40 2HB ALA 40 -12.380 -2.802 6.906 283 3HB ALA 40 3HB ALA 40 -13.505 -1.842 5.915 284 H ALA 41 H ALA 41 -13.116 -1.737 3.549 285 HA ALA 41 HA ALA 41 -11.879 -0.791 1.385 286 1HB ALA 41 1HB ALA 41 -10.574 -3.304 2.275 287 2HB ALA 41 2HB ALA 41 -11.005 -3.245 0.549 288 3HB ALA 41 3HB ALA 41 -9.950 -1.992 1.246 289 H ALA 42 H ALA 42 -14.325 -0.617 1.538 290 HA ALA 42 HA ALA 42 -15.534 -2.983 0.274 291 1HB ALA 42 1HB ALA 42 -16.199 -1.749 2.710 292 2HB ALA 42 2HB ALA 42 -17.419 -1.162 1.554 293 3HB ALA 42 3HB ALA 42 -17.190 -2.911 1.796 294 H ALA 43 H ALA 43 -16.394 0.515 0.757 295 HA ALA 43 HA ALA 43 -17.694 0.832 -1.628 296 1HB ALA 43 1HB ALA 43 -17.013 3.294 -1.294 297 2HB ALA 43 2HB ALA 43 -17.888 2.509 0.042 298 3HB ALA 43 3HB ALA 43 -16.125 2.730 0.142 299 H VAL 44 H VAL 44 -14.274 0.417 -1.007 300 HA VAL 44 HA VAL 44 -13.558 1.524 -3.596 301 HB VAL 44 HB VAL 44 -12.235 0.904 -1.065 302 1HG1 VAL 44 1HG1 VAL 44 -10.771 0.265 -3.649 303 2HG1 VAL 44 2HG1 VAL 44 -10.037 0.368 -2.030 304 3HG1 VAL 44 3HG1 VAL 44 -11.232 -0.902 -2.386 305 1HG2 VAL 44 1HG2 VAL 44 -10.599 2.610 -2.416 306 2HG2 VAL 44 2HG2 VAL 44 -12.147 2.909 -3.241 307 3HG2 VAL 44 3HG2 VAL 44 -12.024 3.117 -1.478 308 H ALA 45 H ALA 45 -14.123 -1.558 -1.923 309 HA ALA 45 HA ALA 45 -12.779 -3.322 -3.498 310 1HB ALA 45 1HB ALA 45 -13.919 -4.741 -2.181 311 2HB ALA 45 2HB ALA 45 -14.856 -3.357 -1.570 312 3HB ALA 45 3HB ALA 45 -15.456 -4.293 -2.960 313 H ALA 46 H ALA 46 -15.720 -1.434 -4.241 314 HA ALA 46 HA ALA 46 -16.105 -2.876 -6.722 315 1HB ALA 46 1HB ALA 46 -18.205 -2.292 -6.140 316 2HB ALA 46 2HB ALA 46 -17.628 -1.080 -4.971 317 3HB ALA 46 3HB ALA 46 -17.786 -0.652 -6.691 318 H ALA 47 H ALA 47 -14.604 0.077 -5.462 319 HA ALA 47 HA ALA 47 -14.310 1.162 -8.140 320 1HB ALA 47 1HB ALA 47 -12.865 2.736 -6.344 321 2HB ALA 47 2HB ALA 47 -14.535 3.025 -6.888 322 3HB ALA 47 3HB ALA 47 -14.233 2.136 -5.376 323 H THR 48 H THR 48 -13.040 -1.456 -7.022 324 HA THR 48 HA THR 48 -11.004 -2.419 -6.868 325 HB THR 48 HB THR 48 -11.010 -0.852 -9.492 326 HG1 THR 48 HG1 THR 48 -11.542 -3.134 -10.128 327 1HG2 THR 48 1HG2 THR 48 -9.152 -3.093 -8.538 328 2HG2 THR 48 2HG2 THR 48 -9.361 -2.635 -10.245 329 3HG2 THR 48 3HG2 THR 48 -8.661 -1.474 -9.091 330 H ALA 49 H ALA 49 -10.075 -1.591 -4.990 331 HA ALA 49 HA ALA 49 -8.987 0.840 -4.577 332 1HB ALA 49 1HB ALA 49 -7.307 -1.389 -3.600 333 2HB ALA 49 2HB ALA 49 -8.189 -0.137 -2.692 334 3HB ALA 49 3HB ALA 49 -9.046 -1.585 -3.273 335 H ALA 50 H ALA 50 -7.809 1.994 -6.048 336 HA ALA 50 HA ALA 50 -5.851 0.624 -7.670 337 1HB ALA 50 1HB ALA 50 -5.560 3.032 -8.543 338 2HB ALA 50 2HB ALA 50 -7.139 2.257 -8.812 339 3HB ALA 50 3HB ALA 50 -6.944 3.448 -7.504 340 H VAL 51 H VAL 51 -5.103 0.191 -5.091 341 HA VAL 51 HA VAL 51 -3.573 0.578 -3.523 342 HB VAL 51 HB VAL 51 -2.242 -0.214 -5.405 343 1HG1 VAL 51 1HG1 VAL 51 -2.042 2.728 -6.092 344 2HG1 VAL 51 2HG1 VAL 51 -0.892 1.514 -6.702 345 3HG1 VAL 51 3HG1 VAL 51 -2.620 1.389 -7.113 346 1HG2 VAL 51 1HG2 VAL 51 -0.317 0.035 -4.261 347 2HG2 VAL 51 2HG2 VAL 51 -0.375 1.812 -4.353 348 3HG2 VAL 51 3HG2 VAL 51 -1.312 0.954 -3.106 349 H GLU 52 H GLU 52 -5.395 2.540 -3.303 350 HA GLU 52 HA GLU 52 -3.999 5.057 -3.470 351 1HB GLU 52 1HB GLU 52 -6.555 4.502 -4.025 352 2HB GLU 52 2HB GLU 52 -6.767 4.772 -2.306 353 1HG GLU 52 1HG GLU 52 -5.138 6.919 -3.088 354 2HG GLU 52 2HG GLU 52 -6.214 6.721 -4.457 355 HE2 GLU 52 HE2 GLU 52 -7.635 8.615 -1.432 356 H GLY 53 H GLY 53 -3.780 6.495 -1.583 357 1HA GLY 53 1HA GLY 53 -4.433 6.044 1.000 358 2HA GLY 53 2HA GLY 53 -3.033 5.014 0.780 359 H THR 54 H THR 54 -4.223 8.335 0.974 360 HA THR 54 HA THR 54 -1.454 9.233 1.259 361 HB THR 54 HB THR 54 -2.000 11.202 -0.217 362 HG1 THR 54 HG1 THR 54 -4.092 11.244 -1.079 363 1HG2 THR 54 1HG2 THR 54 -0.951 9.233 -1.339 364 2HG2 THR 54 2HG2 THR 54 -2.556 8.488 -1.528 365 3HG2 THR 54 3HG2 THR 54 -2.162 9.987 -2.403 366 H GLY 55 H GLY 55 -1.461 11.600 2.115 367 1HA GLY 55 1HA GLY 55 -3.798 12.194 3.750 368 2HA GLY 55 2HA GLY 55 -2.339 11.752 4.614 369 H GLY 56 H GLY 56 -2.753 14.092 5.420 370 1HA GLY 56 1HA GLY 56 -0.800 15.788 4.316 371 2HA GLY 56 2HA GLY 56 -2.374 16.304 3.744 372 H SER 57 H SER 57 -1.121 18.133 5.267 373 HA SER 57 HA SER 57 -2.845 18.294 7.501 374 1HB SER 57 1HB SER 57 0.128 17.834 7.937 375 2HB SER 57 2HB SER 57 -0.854 18.662 9.129 376 HG SER 57 HG SER 57 -2.316 16.599 8.759 377 H GLY 58 H GLY 58 -2.238 20.445 8.797 378 1HA GLY 58 1HA GLY 58 -0.828 22.373 7.107 379 2HA GLY 58 2HA GLY 58 -2.537 22.643 7.388 380 H GLY 59 H GLY 59 -1.306 24.690 8.342 381 1HA GLY 59 1HA GLY 59 -1.773 24.864 11.025 382 2HA GLY 59 2HA GLY 59 -0.105 24.337 10.924 383 H GLY 60 H GLY 60 0.445 26.456 11.907 384 1HA GLY 60 1HA GLY 60 1.784 28.252 10.820 385 2HA GLY 60 2HA GLY 60 0.328 28.659 9.935 386 HA PRO 61 HA PRO 61 -0.146 29.889 14.517 387 1HB PRO 61 1HB PRO 61 2.164 30.369 15.896 388 2HB PRO 61 2HB PRO 61 1.270 28.867 16.018 389 1HG PRO 61 1HG PRO 61 3.796 29.408 14.582 390 2HG PRO 61 2HG PRO 61 3.119 27.867 15.071 391 1HD PRO 61 1HD PRO 61 3.115 28.984 12.429 392 2HD PRO 61 2HD PRO 61 2.338 27.499 12.940 393 H HIS 62 H HIS 62 0.118 32.009 15.758 394 HA HIS 62 HA HIS 62 1.418 33.966 14.060 395 1HB HIS 62 1HB HIS 62 -0.528 35.361 13.846 396 2HB HIS 62 2HB HIS 62 -0.876 33.778 13.181 397 HD1 HIS 62 HD1 HIS 62 -2.467 32.188 14.639 398 HD2 HIS 62 HD2 HIS 62 -2.166 36.161 15.952 399 HE1 HIS 62 HE1 HIS 62 -4.407 32.556 16.255 400 H HIS 63 H HIS 63 1.462 36.168 15.186 401 HA HIS 63 HA HIS 63 2.645 36.025 17.578 402 1HB HIS 63 1HB HIS 63 0.831 38.346 16.956 403 2HB HIS 63 2HB HIS 63 2.390 38.353 17.754 404 HD1 HIS 63 HD1 HIS 63 4.448 37.443 16.019 405 HD2 HIS 63 HD2 HIS 63 0.993 39.142 14.355 406 HE1 HIS 63 HE1 HIS 63 5.074 38.165 13.653 407 H HIS 64 H HIS 64 1.959 36.641 19.810 408 HA HIS 64 HA HIS 64 -0.808 35.803 20.289 409 1HB HIS 64 1HB HIS 64 1.748 34.847 21.463 410 2HB HIS 64 2HB HIS 64 0.433 35.101 22.593 411 HD1 HIS 64 HD1 HIS 64 1.241 32.263 22.359 412 HD2 HIS 64 HD2 HIS 64 -1.503 33.978 19.690 413 HE1 HIS 64 HE1 HIS 64 -0.092 30.329 21.364 414 H HIS 65 H HIS 65 -0.817 38.339 19.895 415 HA HIS 65 HA HIS 65 -0.828 40.408 20.696 416 1HB HIS 65 1HB HIS 65 -2.076 40.589 22.892 417 2HB HIS 65 2HB HIS 65 -2.874 39.706 21.605 418 HD1 HIS 65 HD1 HIS 65 -1.030 39.123 24.878 419 HD2 HIS 65 HD2 HIS 65 -3.467 37.047 22.169 420 HE1 HIS 65 HE1 HIS 65 -1.621 36.909 26.000 421 H GLN 66 H GLN 66 1.377 40.989 20.758 422 HA GLN 66 HA GLN 66 2.900 40.276 23.061 423 1HB GLN 66 1HB GLN 66 4.727 41.490 21.949 424 2HB GLN 66 2HB GLN 66 3.939 40.412 20.814 425 1HG GLN 66 1HG GLN 66 2.861 43.214 20.988 426 2HG GLN 66 2HG GLN 66 4.440 43.022 20.253 427 1HE2 GLN 66 1HE2 GLN 66 4.492 42.657 18.177 428 2HE2 GLN 66 2HE2 GLN 66 3.244 41.962 17.198 429 H THR 67 H THR 67 4.244 42.189 24.136 430 HA THR 67 HA THR 67 2.871 44.696 24.302 431 HB THR 67 HB THR 67 2.693 42.656 26.579 432 HG1 THR 67 HG1 THR 67 0.386 43.244 26.145 433 1HG2 THR 67 1HG2 THR 67 3.130 44.867 27.582 434 2HG2 THR 67 2HG2 THR 67 1.969 45.631 26.470 435 3HG2 THR 67 3HG2 THR 67 1.392 44.509 27.726 436 H ARG 68 H ARG 68 3.917 46.063 26.149 437 HA ARG 68 HA ARG 68 6.393 45.281 27.096 438 1HB ARG 68 1HB ARG 68 6.726 45.661 24.462 439 2HB ARG 68 2HB ARG 68 6.766 47.353 24.916 440 1HG ARG 68 1HG ARG 68 8.817 47.170 25.934 441 2HG ARG 68 2HG ARG 68 8.438 45.619 26.655 442 1HD ARG 68 1HD ARG 68 8.640 45.408 23.728 443 2HD ARG 68 2HD ARG 68 10.106 46.075 24.418 444 HE ARG 68 HE ARG 68 9.620 43.964 26.097 445 1HH1 ARG 68 2HH2 ARG 68 9.718 44.190 22.562 446 2HH1 ARG 68 1HH2 ARG 68 10.236 42.551 22.348 447 1HH2 ARG 68 1HH ARG 68 10.573 41.165 24.274 448 H GLY 69 H GLY 69 5.645 46.316 29.004 449 1HA GLY 69 1HA GLY 69 4.349 48.736 29.207 450 2HA GLY 69 2HA GLY 69 5.370 48.023 30.440 451 H ALA 70 H ALA 70 7.440 48.847 30.837 452 HA ALA 70 HA ALA 70 9.116 50.289 30.794 453 1HB ALA 70 1HB ALA 70 9.762 49.351 28.690 454 2HB ALA 70 2HB ALA 70 8.472 50.222 27.826 455 3HB ALA 70 3HB ALA 70 9.857 51.118 28.494 456 H TYR 71 H TYR 71 9.294 52.411 31.437 457 HA TYR 71 HA TYR 71 7.507 54.369 30.250 458 1HB TYR 71 1HB TYR 71 6.968 52.932 32.669 459 2HB TYR 71 2HB TYR 71 7.621 54.463 33.218 460 HD1 TYR 71 HD1 TYR 71 4.882 52.889 31.280 461 HD2 TYR 71 HD2 TYR 71 6.349 56.494 33.057 462 HE1 TYR 71 HE1 TYR 71 2.611 53.984 30.952 463 HE2 TYR 71 HE2 TYR 71 4.073 57.577 32.723 464 HH TYR 71 HH TYR 71 1.496 56.310 32.480 465 H SER 72 H SER 72 8.635 56.217 29.903 466 HA SER 72 HA SER 72 11.236 56.410 31.039 467 1HB SER 72 1HB SER 72 11.433 58.438 29.628 468 2HB SER 72 2HB SER 72 10.837 57.073 28.705 469 HG SER 72 HG SER 72 8.759 57.932 28.691 470 H SER 73 H SER 73 12.013 58.319 32.278 471 HA SER 73 HA SER 73 10.084 59.034 34.238 472 1HB SER 73 1HB SER 73 12.660 58.545 34.497 473 2HB SER 73 2HB SER 73 12.864 60.223 34.034 474 HG SER 73 HG SER 73 11.246 59.282 36.248 475 H HIS 74 H HIS 74 10.099 61.496 34.994 476 HA HIS 74 HA HIS 74 10.251 63.260 32.690 477 1HB HIS 74 1HB HIS 74 7.998 64.210 33.313 478 2HB HIS 74 2HB HIS 74 7.986 62.638 32.537 479 HD1 HIS 74 HD1 HIS 74 7.775 64.108 36.068 480 HD2 HIS 74 HD2 HIS 74 6.581 60.719 33.904 481 HE1 HIS 74 HE1 HIS 74 6.299 62.741 37.638 482 H ASP 75 H ASP 75 10.758 65.413 33.230 483 HA ASP 75 HA ASP 75 11.017 65.903 36.086 484 1HB ASP 75 1HB ASP 75 13.205 65.331 34.660 485 2HB ASP 75 2HB ASP 75 13.050 66.993 34.127 486 HD2 ASP 75 HD2 ASP 75 14.105 68.348 37.085 Start of MODEL 21 1 H MET 1 H MET 1 -40.630 8.458 33.156 2 HA MET 1 HA MET 1 -41.449 8.281 30.532 3 1HB MET 1 1HB MET 1 -39.084 9.377 30.287 4 2HB MET 1 2HB MET 1 -38.433 7.840 30.821 5 1HG MET 1 1HG MET 1 -40.296 7.146 28.805 6 2HG MET 1 2HG MET 1 -39.507 8.584 28.188 7 1HE MET 1 1HE MET 1 -39.442 4.933 28.431 8 2HE MET 1 2HE MET 1 -39.263 5.690 26.831 9 3HE MET 1 3HE MET 1 -37.974 4.641 27.468 10 H GLU 2 H GLU 2 -42.644 6.510 31.292 11 HA GLU 2 HA GLU 2 -41.245 4.075 31.375 12 1HB GLU 2 1HB GLU 2 -40.853 4.980 33.728 13 2HB GLU 2 2HB GLU 2 -42.582 4.877 33.994 14 1HG GLU 2 1HG GLU 2 -42.599 2.526 33.937 15 2HG GLU 2 2HG GLU 2 -41.160 2.430 32.942 16 HE2 GLU 2 HE2 GLU 2 -38.921 3.164 35.177 17 H VAL 3 H VAL 3 -42.682 3.373 29.775 18 HA VAL 3 HA VAL 3 -45.437 3.016 30.704 19 HB VAL 3 HB VAL 3 -44.597 3.970 27.959 20 1HG1 VAL 3 1HG1 VAL 3 -47.191 4.332 27.856 21 2HG1 VAL 3 2HG1 VAL 3 -46.505 2.720 27.543 22 3HG1 VAL 3 3HG1 VAL 3 -47.224 3.088 29.129 23 1HG2 VAL 3 1HG2 VAL 3 -45.083 5.428 30.379 24 2HG2 VAL 3 2HG2 VAL 3 -44.706 6.049 28.754 25 3HG2 VAL 3 3HG2 VAL 3 -46.399 5.772 29.230 26 H ALA 4 H ALA 4 -46.573 1.261 29.417 27 HA ALA 4 HA ALA 4 -44.683 -0.908 29.056 28 1HB ALA 4 1HB ALA 4 -47.632 -0.600 29.526 29 2HB ALA 4 2HB ALA 4 -47.056 -2.084 28.731 30 3HB ALA 4 3HB ALA 4 -46.451 -1.648 30.347 31 H MET 5 H MET 5 -45.293 -2.495 27.161 32 HA MET 5 HA MET 5 -46.054 -0.940 24.830 33 1HB MET 5 1HB MET 5 -44.116 -1.873 23.573 34 2HB MET 5 2HB MET 5 -43.545 -0.986 24.973 35 1HG MET 5 1HG MET 5 -42.404 -2.856 25.584 36 2HG MET 5 2HG MET 5 -43.947 -3.596 25.960 37 1HE MET 5 1HE MET 5 -41.263 -5.733 23.716 38 2HE MET 5 2HE MET 5 -40.800 -4.028 23.501 39 3HE MET 5 3HE MET 5 -41.190 -4.646 25.124 40 H VAL 6 H VAL 6 -46.294 -2.517 22.833 41 HA VAL 6 HA VAL 6 -47.228 -5.130 23.768 42 HB VAL 6 HB VAL 6 -48.761 -3.344 21.875 43 1HG1 VAL 6 1HG1 VAL 6 -49.338 -6.021 23.169 44 2HG1 VAL 6 2HG1 VAL 6 -50.605 -5.004 22.442 45 3HG1 VAL 6 3HG1 VAL 6 -49.272 -5.621 21.436 46 1HG2 VAL 6 1HG2 VAL 6 -49.187 -2.170 23.783 47 2HG2 VAL 6 2HG2 VAL 6 -50.383 -3.468 24.011 48 3HG2 VAL 6 3HG2 VAL 6 -48.814 -3.546 24.849 49 H SER 7 H SER 7 -47.586 -6.644 21.829 50 HA SER 7 HA SER 7 -46.241 -5.910 19.445 51 1HB SER 7 1HB SER 7 -44.898 -7.730 21.461 52 2HB SER 7 2HB SER 7 -44.605 -7.954 19.748 53 HG SER 7 HG SER 7 -44.365 -5.317 20.828 54 H ALA 8 H ALA 8 -46.374 -7.708 17.803 55 HA ALA 8 HA ALA 8 -48.748 -9.294 18.332 56 1HB ALA 8 1HB ALA 8 -48.191 -9.806 15.764 57 2HB ALA 8 2HB ALA 8 -48.984 -8.294 16.267 58 3HB ALA 8 3HB ALA 8 -47.235 -8.314 15.935 59 H GLU 9 H GLU 9 -47.573 -10.666 19.948 60 HA GLU 9 HA GLU 9 -45.374 -12.083 19.605 61 1HB GLU 9 1HB GLU 9 -46.194 -13.578 21.221 62 2HB GLU 9 2HB GLU 9 -47.194 -12.162 21.478 63 1HG GLU 9 1HG GLU 9 -48.720 -13.418 19.606 64 2HG GLU 9 2HG GLU 9 -47.931 -14.822 20.296 65 HE2 GLU 9 HE2 GLU 9 -50.906 -13.041 21.915 66 H SER 10 H SER 10 -44.925 -14.373 18.904 67 HA SER 10 HA SER 10 -44.682 -15.678 17.155 68 1HB SER 10 1HB SER 10 -47.681 -15.944 17.637 69 2HB SER 10 2HB SER 10 -46.759 -17.051 16.640 70 HG SER 10 HG SER 10 -47.042 -17.774 18.882 71 H SER 11 H SER 11 -44.041 -14.270 15.447 72 HA SER 11 HA SER 11 -45.613 -14.278 13.215 73 1HB SER 11 1HB SER 11 -47.139 -12.683 14.067 74 2HB SER 11 2HB SER 11 -45.887 -11.770 14.886 75 HG SER 11 HG SER 11 -45.536 -11.918 12.104 76 H GLY 12 H GLY 12 -44.021 -14.306 11.674 77 1HA GLY 12 1HA GLY 12 -41.378 -13.483 12.219 78 2HA GLY 12 2HA GLY 12 -42.038 -13.965 10.669 79 H CYS 13 H CYS 13 -41.402 -12.387 9.236 80 HA CYS 13 HA CYS 13 -42.032 -9.635 10.025 81 1HB CYS 13 1HB CYS 13 -39.524 -10.429 9.646 82 2HB CYS 13 2HB CYS 13 -39.935 -10.202 7.958 83 HG CYS 13 HG CYS 13 -39.017 -7.968 8.300 84 H ASN 14 H ASN 14 -44.187 -10.811 9.099 85 HA ASN 14 HA ASN 14 -44.131 -10.524 6.204 86 1HB ASN 14 1HB ASN 14 -45.402 -12.421 8.024 87 2HB ASN 14 2HB ASN 14 -46.641 -11.607 7.088 88 1HD2 ASN 14 1HD2 ASN 14 -47.222 -12.819 5.463 89 2HD2 ASN 14 2HD2 ASN 14 -46.190 -13.689 4.377 90 H SER 15 H SER 15 -44.307 -8.363 8.365 91 HA SER 15 HA SER 15 -46.159 -6.749 7.176 92 1HB SER 15 1HB SER 15 -47.501 -8.605 8.786 93 2HB SER 15 2HB SER 15 -47.387 -7.196 9.822 94 HG SER 15 HG SER 15 -49.257 -6.876 8.655 95 H HIS 16 H HIS 16 -44.802 -4.999 7.460 96 HA HIS 16 HA HIS 16 -43.847 -4.531 10.188 97 1HB HIS 16 1HB HIS 16 -42.124 -3.077 9.002 98 2HB HIS 16 2HB HIS 16 -41.958 -4.814 8.847 99 HD1 HIS 16 HD1 HIS 16 -41.086 -5.259 6.551 100 HD2 HIS 16 HD2 HIS 16 -44.072 -2.313 6.557 101 HE1 HIS 16 HE1 HIS 16 -41.486 -4.641 4.108 102 H MET 17 H MET 17 -46.353 -3.809 10.141 103 HA MET 17 HA MET 17 -46.773 -1.278 8.940 104 1HB MET 17 1HB MET 17 -48.311 -3.358 10.209 105 2HB MET 17 2HB MET 17 -48.625 -1.893 11.118 106 1HG MET 17 1HG MET 17 -48.787 -0.940 8.527 107 2HG MET 17 2HG MET 17 -49.374 -2.577 8.313 108 1HE MET 17 1HE MET 17 -51.215 0.999 10.134 109 2HE MET 17 2HE MET 17 -50.232 0.278 11.431 110 3HE MET 17 3HE MET 17 -49.487 0.668 9.862 111 HA PRO 18 HA PRO 18 -46.271 0.123 13.445 112 1HB PRO 18 1HB PRO 18 -45.323 -1.621 15.324 113 2HB PRO 18 2HB PRO 18 -47.030 -1.312 15.078 114 1HG PRO 18 1HG PRO 18 -45.440 -3.671 14.276 115 2HG PRO 18 2HG PRO 18 -47.179 -3.519 14.427 116 1HD PRO 18 1HD PRO 18 -45.662 -3.528 11.993 117 2HD PRO 18 2HD PRO 18 -47.387 -3.260 12.152 118 H TYR 19 H TYR 19 -44.364 0.526 15.146 119 HA TYR 19 HA TYR 19 -42.311 1.575 13.824 120 1HB TYR 19 1HB TYR 19 -42.159 -0.150 16.375 121 2HB TYR 19 2HB TYR 19 -41.051 1.150 15.981 122 HD1 TYR 19 HD1 TYR 19 -42.498 3.448 15.325 123 HD2 TYR 19 HD2 TYR 19 -43.651 0.368 18.062 124 HE1 TYR 19 HE1 TYR 19 -43.999 5.092 16.553 125 HE2 TYR 19 HE2 TYR 19 -45.148 2.022 19.281 126 HH TYR 19 HH TYR 19 -45.115 4.613 19.558 127 H GLY 20 H GLY 20 -41.004 0.809 12.240 128 1HA GLY 20 1HA GLY 20 -39.458 -1.588 12.739 129 2HA GLY 20 2HA GLY 20 -40.606 -1.721 11.422 130 H TYR 21 H TYR 21 -40.075 -0.900 9.415 131 HA TYR 21 HA TYR 21 -37.515 -0.249 8.768 132 1HB TYR 21 1HB TYR 21 -39.773 -0.738 7.424 133 2HB TYR 21 2HB TYR 21 -40.008 0.998 7.486 134 HD1 TYR 21 HD1 TYR 21 -38.216 2.506 6.447 135 HD2 TYR 21 HD2 TYR 21 -38.371 -1.718 5.788 136 HE1 TYR 21 HE1 TYR 21 -36.766 2.769 4.375 137 HE2 TYR 21 HE2 TYR 21 -36.921 -1.441 3.718 138 HH TYR 21 HH TYR 21 -35.283 1.474 3.043 139 H ALA 22 H ALA 22 -40.194 1.977 9.717 140 HA ALA 22 HA ALA 22 -38.611 4.305 9.250 141 1HB ALA 22 1HB ALA 22 -41.263 3.764 10.633 142 2HB ALA 22 2HB ALA 22 -40.560 5.392 10.473 143 3HB ALA 22 3HB ALA 22 -40.994 4.463 9.018 144 H ALA 23 H ALA 23 -39.050 1.975 11.852 145 HA ALA 23 HA ALA 23 -37.912 3.790 13.812 146 1HB ALA 23 1HB ALA 23 -38.775 0.877 14.024 147 2HB ALA 23 2HB ALA 23 -38.366 1.960 15.376 148 3HB ALA 23 3HB ALA 23 -39.808 2.281 14.383 149 H GLN 24 H GLN 24 -36.541 2.587 11.253 150 HA GLN 24 HA GLN 24 -34.561 0.887 12.349 151 1HB GLN 24 1HB GLN 24 -34.947 2.270 9.677 152 2HB GLN 24 2HB GLN 24 -33.457 1.418 10.031 153 1HG GLN 24 1HG GLN 24 -36.123 0.047 10.496 154 2HG GLN 24 2HG GLN 24 -35.456 0.128 8.877 155 1HE2 GLN 24 1HE2 GLN 24 -35.268 -1.279 12.002 156 2HE2 GLN 24 2HE2 GLN 24 -33.983 -2.406 11.719 157 H ALA 25 H ALA 25 -35.149 4.121 12.818 158 HA ALA 25 HA ALA 25 -32.681 5.337 12.354 159 1HB ALA 25 1HB ALA 25 -35.184 5.872 13.836 160 2HB ALA 25 2HB ALA 25 -33.745 6.668 14.517 161 3HB ALA 25 3HB ALA 25 -34.202 6.954 12.820 162 H ARG 26 H ARG 26 -33.708 2.945 14.678 163 HA ARG 26 HA ARG 26 -31.869 3.645 16.677 164 1HB ARG 26 1HB ARG 26 -34.023 2.041 16.668 165 2HB ARG 26 2HB ARG 26 -32.840 0.801 16.299 166 1HG ARG 26 1HG ARG 26 -31.771 0.994 18.371 167 2HG ARG 26 2HG ARG 26 -32.203 2.681 18.564 168 1HD ARG 26 1HD ARG 26 -34.706 1.545 18.582 169 2HD ARG 26 2HD ARG 26 -33.770 0.229 19.262 170 HE ARG 26 HE ARG 26 -33.177 2.846 20.459 171 1HH1 ARG 26 2HH2 ARG 26 -35.217 -0.044 20.643 172 2HH1 ARG 26 1HH2 ARG 26 -35.614 0.191 22.313 173 1HH2 ARG 26 1HH ARG 26 -34.711 2.079 23.479 174 H ALA 27 H ALA 27 -31.779 1.699 13.702 175 HA ALA 27 HA ALA 27 -29.430 0.251 14.342 176 1HB ALA 27 1HB ALA 27 -29.829 0.634 11.502 177 2HB ALA 27 2HB ALA 27 -30.063 -0.834 12.481 178 3HB ALA 27 3HB ALA 27 -31.393 0.333 12.295 179 H ARG 28 H ARG 28 -30.158 3.471 13.023 180 HA ARG 28 HA ARG 28 -27.716 3.933 11.832 181 1HB ARG 28 1HB ARG 28 -30.027 5.323 11.976 182 2HB ARG 28 2HB ARG 28 -29.164 6.184 13.235 183 1HG ARG 28 1HG ARG 28 -27.223 6.428 11.531 184 2HG ARG 28 2HG ARG 28 -28.355 5.873 10.314 185 1HD ARG 28 1HD ARG 28 -28.904 8.257 12.144 186 2HD ARG 28 2HD ARG 28 -28.183 8.413 10.555 187 HE ARG 28 HE ARG 28 -30.986 7.698 11.153 188 1HH1 ARG 28 2HH2 ARG 28 -28.449 7.887 8.686 189 2HH1 ARG 28 1HH2 ARG 28 -29.564 7.875 7.361 190 1HH2 ARG 28 1HH ARG 28 -31.916 7.755 7.807 191 H GLU 29 H GLU 29 -28.793 4.012 15.220 192 HA GLU 29 HA GLU 29 -26.496 5.460 16.087 193 1HB GLU 29 1HB GLU 29 -29.033 4.944 17.134 194 2HB GLU 29 2HB GLU 29 -27.991 3.961 18.144 195 1HG GLU 29 1HG GLU 29 -26.558 5.936 18.628 196 2HG GLU 29 2HG GLU 29 -27.540 6.928 17.568 197 HE2 GLU 29 HE2 GLU 29 -27.572 7.273 20.753 198 H ARG 30 H ARG 30 -27.404 2.119 15.492 199 HA ARG 30 HA ARG 30 -25.274 1.143 17.149 200 1HB ARG 30 1HB ARG 30 -27.610 -0.018 15.694 201 2HB ARG 30 2HB ARG 30 -26.195 -1.051 15.731 202 1HG ARG 30 1HG ARG 30 -26.662 0.165 18.358 203 2HG ARG 30 2HG ARG 30 -28.091 -0.686 17.805 204 1HD ARG 30 1HD ARG 30 -26.066 -2.479 17.137 205 2HD ARG 30 2HD ARG 30 -25.448 -1.772 18.617 206 HE ARG 30 HE ARG 30 -27.192 -2.789 19.825 207 1HH1 ARG 30 2HH2 ARG 30 -27.892 -2.990 16.358 208 2HH1 ARG 30 1HH2 ARG 30 -29.230 -4.069 16.564 209 1HH2 ARG 30 1HH ARG 30 -29.839 -4.776 18.772 210 H GLU 31 H GLU 31 -26.016 1.893 13.767 211 HA GLU 31 HA GLU 31 -23.773 0.392 12.805 212 1HB GLU 31 1HB GLU 31 -26.108 1.786 11.649 213 2HB GLU 31 2HB GLU 31 -24.646 2.014 10.710 214 1HG GLU 31 1HG GLU 31 -24.706 -0.123 9.940 215 2HG GLU 31 2HG GLU 31 -24.853 -0.771 11.562 216 HE2 GLU 31 HE2 GLU 31 -27.486 -1.195 9.079 217 H ARG 32 H ARG 32 -23.818 2.998 14.669 218 HA ARG 32 HA ARG 32 -22.606 5.007 13.246 219 1HB ARG 32 1HB ARG 32 -23.259 4.438 15.973 220 2HB ARG 32 2HB ARG 32 -21.559 4.861 15.970 221 1HG ARG 32 1HG ARG 32 -23.569 6.566 14.459 222 2HG ARG 32 2HG ARG 32 -23.345 6.779 16.183 223 1HD ARG 32 1HD ARG 32 -21.732 8.274 15.458 224 2HD ARG 32 2HD ARG 32 -20.739 6.830 15.468 225 HE ARG 32 HE ARG 32 -21.920 6.832 12.938 226 1HH1 ARG 32 2HH2 ARG 32 -19.894 9.098 14.759 227 2HH1 ARG 32 1HH2 ARG 32 -19.167 9.780 13.342 228 1HH2 ARG 32 1HH ARG 32 -19.810 8.962 11.183 229 H LEU 33 H LEU 33 -21.361 1.960 14.560 230 HA LEU 33 HA LEU 33 -18.608 2.806 14.218 231 1HB LEU 33 1HB LEU 33 -19.945 1.029 15.909 232 2HB LEU 33 2HB LEU 33 -19.032 0.003 14.822 233 HG LEU 33 HG LEU 33 -17.775 0.476 16.850 234 1HD1 LEU 33 1HD1 LEU 33 -16.633 0.195 14.620 235 2HD1 LEU 33 2HD1 LEU 33 -16.470 1.967 14.565 236 3HD1 LEU 33 3HD1 LEU 33 -15.688 1.041 15.869 237 1HD2 LEU 33 1HD2 LEU 33 -18.923 2.902 16.903 238 2HD2 LEU 33 2HD2 LEU 33 -17.419 2.512 17.772 239 3HD2 LEU 33 3HD2 LEU 33 -17.348 3.342 16.198 240 H ALA 34 H ALA 34 -21.179 1.508 12.356 241 HA ALA 34 HA ALA 34 -19.500 -0.101 10.657 242 1HB ALA 34 1HB ALA 34 -22.128 -0.189 11.313 243 2HB ALA 34 2HB ALA 34 -22.228 0.749 9.803 244 3HB ALA 34 3HB ALA 34 -21.478 -0.866 9.801 245 H HIS 35 H HIS 35 -19.558 3.120 11.191 246 HA HIS 35 HA HIS 35 -19.686 3.923 8.413 247 1HB HIS 35 1HB HIS 35 -20.682 5.211 10.405 248 2HB HIS 35 2HB HIS 35 -19.035 5.675 10.785 249 HD1 HIS 35 HD1 HIS 35 -17.720 6.947 8.702 250 HD2 HIS 35 HD2 HIS 35 -21.911 6.843 8.577 251 HE1 HIS 35 HE1 HIS 35 -18.432 8.775 7.070 252 H SER 36 H SER 36 -17.422 2.646 10.629 253 HA SER 36 HA SER 36 -15.212 4.099 9.499 254 1HB SER 36 1HB SER 36 -15.633 2.230 11.800 255 2HB SER 36 2HB SER 36 -14.041 2.202 11.068 256 HG SER 36 HG SER 36 -14.790 3.893 12.886 257 H ARG 37 H ARG 37 -17.044 1.182 8.987 258 HA ARG 37 HA ARG 37 -14.852 -0.140 7.690 259 1HB ARG 37 1HB ARG 37 -17.064 -1.073 9.051 260 2HB ARG 37 2HB ARG 37 -17.628 -1.222 7.399 261 1HG ARG 37 1HG ARG 37 -15.856 -2.708 6.795 262 2HG ARG 37 2HG ARG 37 -14.881 -2.257 8.179 263 1HD ARG 37 1HD ARG 37 -17.554 -3.384 8.873 264 2HD ARG 37 2HD ARG 37 -16.484 -4.508 8.060 265 HE ARG 37 HE ARG 37 -16.119 -3.370 10.743 266 1HH1 ARG 37 2HH2 ARG 37 -14.516 -4.978 8.023 267 2HH1 ARG 37 1HH2 ARG 37 -13.209 -5.580 8.987 268 1HH2 ARG 37 1HH ARG 37 -13.159 -5.089 11.332 269 H ALA 38 H ALA 38 -16.436 2.478 6.808 270 HA ALA 38 HA ALA 38 -17.764 1.809 4.420 271 1HB ALA 38 1HB ALA 38 -18.293 3.890 5.398 272 2HB ALA 38 2HB ALA 38 -16.582 4.330 5.609 273 3HB ALA 38 3HB ALA 38 -17.305 4.327 3.983 274 H ALA 39 H ALA 39 -14.506 3.342 4.968 275 HA ALA 39 HA ALA 39 -13.774 2.611 2.260 276 1HB ALA 39 1HB ALA 39 -13.311 4.867 3.390 277 2HB ALA 39 2HB ALA 39 -12.083 4.012 4.355 278 3HB ALA 39 3HB ALA 39 -11.931 4.085 2.583 279 H ALA 40 H ALA 40 -13.665 0.317 2.345 280 HA ALA 40 HA ALA 40 -12.301 -1.056 4.381 281 1HB ALA 40 1HB ALA 40 -13.284 -1.684 1.597 282 2HB ALA 40 2HB ALA 40 -12.283 -2.863 2.477 283 3HB ALA 40 3HB ALA 40 -13.837 -2.329 3.161 284 H ALA 41 H ALA 41 -11.329 -0.481 0.918 285 HA ALA 41 HA ALA 41 -8.823 -1.396 0.957 286 1HB ALA 41 1HB ALA 41 -9.602 1.289 -0.241 287 2HB ALA 41 2HB ALA 41 -8.357 0.160 -0.827 288 3HB ALA 41 3HB ALA 41 -10.078 -0.279 -0.935 289 H ALA 42 H ALA 42 -7.585 -1.291 2.822 290 HA ALA 42 HA ALA 42 -7.132 1.370 3.950 291 1HB ALA 42 1HB ALA 42 -7.891 -0.494 5.433 292 2HB ALA 42 2HB ALA 42 -6.408 -1.388 5.020 293 3HB ALA 42 3HB ALA 42 -6.301 0.157 5.898 294 H ALA 43 H ALA 43 -5.084 -1.605 3.568 295 HA ALA 43 HA ALA 43 -2.697 -0.237 3.409 296 1HB ALA 43 1HB ALA 43 -2.211 -2.430 3.673 297 2HB ALA 43 2HB ALA 43 -3.728 -2.947 2.900 298 3HB ALA 43 3HB ALA 43 -2.315 -2.534 1.899 299 H VAL 44 H VAL 44 -5.297 -0.478 1.105 300 HA VAL 44 HA VAL 44 -3.555 0.168 -1.128 301 HB VAL 44 HB VAL 44 -6.242 -0.909 -0.714 302 1HG1 VAL 44 1HG1 VAL 44 -7.225 -0.005 -2.771 303 2HG1 VAL 44 2HG1 VAL 44 -6.897 1.291 -1.596 304 3HG1 VAL 44 3HG1 VAL 44 -5.814 1.058 -2.989 305 1HG2 VAL 44 1HG2 VAL 44 -4.913 -1.126 -3.347 306 2HG2 VAL 44 2HG2 VAL 44 -3.955 -1.710 -1.965 307 3HG2 VAL 44 3HG2 VAL 44 -5.569 -2.391 -2.280 308 H ALA 45 H ALA 45 -5.795 1.651 1.192 309 HA ALA 45 HA ALA 45 -6.532 3.937 -0.067 310 1HB ALA 45 1HB ALA 45 -5.585 4.347 2.700 311 2HB ALA 45 2HB ALA 45 -7.217 4.521 2.012 312 3HB ALA 45 3HB ALA 45 -6.622 2.915 2.495 313 H ALA 46 H ALA 46 -3.525 3.567 1.954 314 HA ALA 46 HA ALA 46 -2.467 6.035 1.143 315 1HB ALA 46 1HB ALA 46 -0.790 5.497 2.599 316 2HB ALA 46 2HB ALA 46 -1.931 4.226 3.097 317 3HB ALA 46 3HB ALA 46 -0.618 3.846 1.957 318 H ALA 47 H ALA 47 -2.015 2.643 -0.020 319 HA ALA 47 HA ALA 47 -0.060 3.351 -1.939 320 1HB ALA 47 1HB ALA 47 -1.808 0.946 -2.294 321 2HB ALA 47 2HB ALA 47 -0.037 1.095 -2.392 322 3HB ALA 47 3HB ALA 47 -0.839 1.043 -0.804 323 H THR 48 H THR 48 -1.216 1.927 -4.240 324 HA THR 48 HA THR 48 -3.612 3.267 -5.005 325 HB THR 48 HB THR 48 -2.229 4.465 -6.946 326 HG1 THR 48 HG1 THR 48 -0.413 4.284 -4.648 327 1HG2 THR 48 1HG2 THR 48 -1.677 5.794 -4.308 328 2HG2 THR 48 2HG2 THR 48 -2.418 6.469 -5.778 329 3HG2 THR 48 3HG2 THR 48 -3.385 5.458 -4.677 330 H ALA 49 H ALA 49 -3.632 3.059 -7.677 331 HA ALA 49 HA ALA 49 -4.014 0.404 -8.142 332 1HB ALA 49 1HB ALA 49 -4.635 1.145 -10.194 333 2HB ALA 49 2HB ALA 49 -4.323 2.765 -9.528 334 3HB ALA 49 3HB ALA 49 -3.070 1.940 -10.485 335 H ALA 50 H ALA 50 -2.509 -1.150 -7.657 336 HA ALA 50 HA ALA 50 0.265 -0.671 -8.301 337 1HB ALA 50 1HB ALA 50 -0.199 -3.349 -7.448 338 2HB ALA 50 2HB ALA 50 0.488 -2.003 -6.508 339 3HB ALA 50 3HB ALA 50 -1.266 -2.303 -6.482 340 H VAL 51 H VAL 51 -1.083 -0.459 -10.653 341 HA VAL 51 HA VAL 51 -0.123 -2.801 -12.050 342 HB VAL 51 HB VAL 51 -3.013 -1.930 -12.050 343 1HG1 VAL 51 1HG1 VAL 51 -3.061 -2.379 -14.244 344 2HG1 VAL 51 2HG1 VAL 51 -1.415 -3.055 -14.223 345 3HG1 VAL 51 3HG1 VAL 51 -2.804 -4.083 -13.798 346 1HG2 VAL 51 1HG2 VAL 51 -1.519 -4.401 -11.217 347 2HG2 VAL 51 2HG2 VAL 51 -2.815 -3.517 -10.377 348 3HG2 VAL 51 3HG2 VAL 51 -3.200 -4.535 -11.785 349 H GLU 52 H GLU 52 1.294 -0.615 -12.152 350 HA GLU 52 HA GLU 52 0.480 1.510 -13.618 351 1HB GLU 52 1HB GLU 52 2.813 0.772 -12.458 352 2HB GLU 52 2HB GLU 52 3.252 0.479 -14.129 353 1HG GLU 52 1HG GLU 52 2.433 2.833 -14.678 354 2HG GLU 52 2HG GLU 52 2.212 3.101 -12.961 355 HE2 GLU 52 HE2 GLU 52 5.465 3.806 -14.703 356 H GLY 53 H GLY 53 0.996 2.132 -15.920 357 1HA GLY 53 1HA GLY 53 -0.226 0.599 -17.786 358 2HA GLY 53 2HA GLY 53 1.040 1.756 -18.146 359 H THR 54 H THR 54 3.394 0.807 -17.420 360 HA THR 54 HA THR 54 3.520 -1.876 -18.631 361 HB THR 54 HB THR 54 4.510 -0.082 -20.030 362 HG1 THR 54 HG1 THR 54 6.465 -1.260 -20.197 363 1HG2 THR 54 1HG2 THR 54 5.334 1.702 -18.783 364 2HG2 THR 54 2HG2 THR 54 5.766 0.663 -17.403 365 3HG2 THR 54 3HG2 THR 54 6.825 0.730 -18.833 366 H GLY 55 H GLY 55 4.729 -3.492 -17.678 367 1HA GLY 55 1HA GLY 55 6.279 -2.877 -15.298 368 2HA GLY 55 2HA GLY 55 4.817 -3.805 -15.028 369 H GLY 56 H GLY 56 7.828 -3.724 -17.038 370 1HA GLY 56 1HA GLY 56 9.015 -5.381 -18.003 371 2HA GLY 56 2HA GLY 56 8.746 -6.221 -16.489 372 H SER 57 H SER 57 7.644 -5.805 -19.850 373 HA SER 57 HA SER 57 6.922 -8.428 -20.116 374 1HB SER 57 1HB SER 57 4.391 -8.168 -20.306 375 2HB SER 57 2HB SER 57 5.031 -8.148 -18.675 376 HG SER 57 HG SER 57 5.100 -5.610 -19.344 377 H GLY 58 H GLY 58 6.584 -8.875 -22.335 378 1HA GLY 58 1HA GLY 58 5.441 -7.649 -24.331 379 2HA GLY 58 2HA GLY 58 6.769 -6.532 -24.091 380 H GLY 59 H GLY 59 6.285 -8.182 -26.464 381 1HA GLY 59 1HA GLY 59 8.865 -9.094 -26.980 382 2HA GLY 59 2HA GLY 59 7.923 -10.484 -26.481 383 H GLY 60 H GLY 60 7.713 -7.596 -28.677 384 1HA GLY 60 1HA GLY 60 6.886 -9.320 -30.858 385 2HA GLY 60 2HA GLY 60 5.663 -8.200 -30.293 386 HA PRO 61 HA PRO 61 9.310 -5.795 -32.201 387 1HB PRO 61 1HB PRO 61 10.848 -7.138 -34.017 388 2HB PRO 61 2HB PRO 61 11.323 -6.903 -32.347 389 1HG PRO 61 1HG PRO 61 10.312 -9.351 -33.660 390 2HG PRO 61 2HG PRO 61 11.178 -9.196 -32.144 391 1HD PRO 61 1HD PRO 61 8.365 -9.648 -32.475 392 2HD PRO 61 2HD PRO 61 9.213 -9.377 -30.965 393 H HIS 62 H HIS 62 9.630 -4.686 -34.325 394 HA HIS 62 HA HIS 62 7.181 -5.171 -35.805 395 1HB HIS 62 1HB HIS 62 7.868 -2.965 -36.906 396 2HB HIS 62 2HB HIS 62 7.349 -2.924 -35.233 397 HD1 HIS 62 HD1 HIS 62 8.678 -0.907 -34.445 398 HD2 HIS 62 HD2 HIS 62 11.062 -3.806 -36.318 399 HE1 HIS 62 HE1 HIS 62 11.098 -0.190 -34.074 400 H HIS 63 H HIS 63 8.275 -7.293 -36.533 401 HA HIS 63 HA HIS 63 10.470 -7.533 -38.023 402 1HB HIS 63 1HB HIS 63 8.250 -9.070 -37.512 403 2HB HIS 63 2HB HIS 63 8.140 -8.860 -39.249 404 HD1 HIS 63 HD1 HIS 63 8.711 -11.655 -38.175 405 HD2 HIS 63 HD2 HIS 63 11.732 -8.917 -39.164 406 HE1 HIS 63 HE1 HIS 63 10.808 -13.037 -38.627 407 H HIS 64 H HIS 64 10.927 -7.539 -40.373 408 HA HIS 64 HA HIS 64 9.512 -5.316 -41.637 409 1HB HIS 64 1HB HIS 64 12.300 -6.423 -42.051 410 2HB HIS 64 2HB HIS 64 11.577 -5.204 -43.081 411 HD1 HIS 64 HD1 HIS 64 10.611 -3.007 -41.534 412 HD2 HIS 64 HD2 HIS 64 13.783 -5.318 -40.053 413 HE1 HIS 64 HE1 HIS 64 11.790 -1.567 -39.788 414 H HIS 65 H HIS 65 11.223 -8.391 -42.574 415 HA HIS 65 HA HIS 65 10.744 -9.930 -44.061 416 1HB HIS 65 1HB HIS 65 8.584 -9.927 -42.676 417 2HB HIS 65 2HB HIS 65 7.854 -9.048 -44.005 418 HD1 HIS 65 HD1 HIS 65 8.275 -10.383 -46.482 419 HD2 HIS 65 HD2 HIS 65 8.288 -12.622 -42.934 420 HE1 HIS 65 HE1 HIS 65 7.839 -12.803 -47.162 421 H GLN 66 H GLN 66 11.572 -9.683 -46.069 422 HA GLN 66 HA GLN 66 10.055 -8.276 -48.005 423 1HB GLN 66 1HB GLN 66 11.520 -6.517 -46.706 424 2HB GLN 66 2HB GLN 66 12.860 -7.201 -47.605 425 1HG GLN 66 1HG GLN 66 12.220 -6.188 -49.545 426 2HG GLN 66 2HG GLN 66 10.549 -6.677 -49.349 427 1HE2 GLN 66 1HE2 GLN 66 9.694 -4.739 -49.952 428 2HE2 GLN 66 2HE2 GLN 66 9.779 -3.295 -48.998 429 H THR 67 H THR 67 11.556 -8.189 -50.177 430 HA THR 67 HA THR 67 12.103 -10.851 -50.799 431 HB THR 67 HB THR 67 13.251 -8.421 -52.238 432 HG1 THR 67 HG1 THR 67 10.540 -9.497 -51.940 433 1HG2 THR 67 1HG2 THR 67 13.502 -9.973 -53.897 434 2HG2 THR 67 2HG2 THR 67 12.733 -11.223 -52.888 435 3HG2 THR 67 3HG2 THR 67 11.732 -10.164 -53.910 436 H ARG 68 H ARG 68 14.247 -11.667 -51.698 437 HA ARG 68 HA ARG 68 15.968 -12.050 -49.719 438 1HB ARG 68 1HB ARG 68 15.859 -12.843 -52.316 439 2HB ARG 68 2HB ARG 68 17.198 -11.721 -52.453 440 1HG ARG 68 1HG ARG 68 18.155 -12.970 -50.334 441 2HG ARG 68 2HG ARG 68 17.011 -14.230 -50.754 442 1HD ARG 68 1HD ARG 68 18.748 -13.158 -52.971 443 2HD ARG 68 2HD ARG 68 19.521 -14.168 -51.765 444 HE ARG 68 HE ARG 68 17.006 -15.264 -52.836 445 1HH1 ARG 68 2HH2 ARG 68 20.532 -15.155 -53.169 446 2HH1 ARG 68 1HH2 ARG 68 20.618 -16.641 -54.056 447 1HH2 ARG 68 1HH ARG 68 18.599 -17.840 -54.537 448 H GLY 69 H GLY 69 17.798 -11.027 -48.803 449 1HA GLY 69 1HA GLY 69 18.019 -8.356 -48.613 450 2HA GLY 69 2HA GLY 69 19.385 -9.445 -48.472 451 H ALA 70 H ALA 70 20.117 -10.326 -50.848 452 HA ALA 70 HA ALA 70 19.928 -8.209 -52.818 453 1HB ALA 70 1HB ALA 70 22.162 -8.475 -50.998 454 2HB ALA 70 2HB ALA 70 22.694 -8.821 -52.660 455 3HB ALA 70 3HB ALA 70 21.899 -7.274 -52.285 456 H TYR 71 H TYR 71 20.606 -8.935 -54.950 457 HA TYR 71 HA TYR 71 20.529 -11.859 -55.126 458 1HB TYR 71 1HB TYR 71 19.000 -9.898 -56.282 459 2HB TYR 71 2HB TYR 71 20.320 -9.888 -57.435 460 HD1 TYR 71 HD1 TYR 71 17.365 -11.647 -56.277 461 HD2 TYR 71 HD2 TYR 71 20.846 -11.974 -58.744 462 HE1 TYR 71 HE1 TYR 71 16.325 -13.621 -57.495 463 HE2 TYR 71 HE2 TYR 71 19.794 -13.947 -59.953 464 HH TYR 71 HH TYR 71 18.149 -15.623 -59.569 465 H SER 72 H SER 72 22.241 -13.018 -55.902 466 HA SER 72 HA SER 72 24.372 -11.442 -57.120 467 1HB SER 72 1HB SER 72 24.529 -13.673 -55.067 468 2HB SER 72 2HB SER 72 25.897 -13.306 -56.099 469 HG SER 72 HG SER 72 24.635 -11.143 -54.721 470 H SER 73 H SER 73 23.181 -14.853 -56.629 471 HA SER 73 HA SER 73 23.263 -16.603 -57.938 472 1HB SER 73 1HB SER 73 21.286 -15.473 -58.846 473 2HB SER 73 2HB SER 73 22.276 -14.513 -59.927 474 HG SER 73 HG SER 73 21.836 -17.370 -60.011 475 H HIS 74 H HIS 74 25.584 -16.955 -57.911 476 HA HIS 74 HA HIS 74 27.171 -15.706 -59.938 477 1HB HIS 74 1HB HIS 74 27.804 -16.473 -57.508 478 2HB HIS 74 2HB HIS 74 28.073 -18.032 -58.263 479 HD1 HIS 74 HD1 HIS 74 29.615 -14.710 -57.769 480 HD2 HIS 74 HD2 HIS 74 30.156 -18.000 -60.314 481 HE1 HIS 74 HE1 HIS 74 31.918 -14.422 -58.829 482 H ASP 75 H ASP 75 27.899 -16.591 -61.871 483 HA ASP 75 HA ASP 75 27.874 -19.270 -62.453 484 1HB ASP 75 1HB ASP 75 25.950 -19.266 -64.145 485 2HB ASP 75 2HB ASP 75 25.481 -19.319 -62.458 486 HD2 ASP 75 HD2 ASP 75 24.035 -17.886 -61.895 Start of MODEL 22 1 H MET 1 H MET 1 -52.404 22.448 -1.697 2 HA MET 1 HA MET 1 -52.778 25.147 -2.179 3 1HB MET 1 1HB MET 1 -54.408 23.005 -1.837 4 2HB MET 1 2HB MET 1 -54.526 23.645 -0.210 5 1HG MET 1 1HG MET 1 -54.952 25.959 -1.512 6 2HG MET 1 2HG MET 1 -55.441 24.885 -2.808 7 1HE MET 1 1HE MET 1 -56.424 26.910 -0.166 8 2HE MET 1 2HE MET 1 -57.846 26.216 0.649 9 3HE MET 1 3HE MET 1 -56.209 25.705 1.127 10 H GLU 2 H GLU 2 -53.159 26.949 -0.740 11 HA GLU 2 HA GLU 2 -51.341 27.279 1.214 12 1HB GLU 2 1HB GLU 2 -52.786 29.047 0.114 13 2HB GLU 2 2HB GLU 2 -54.100 28.576 1.174 14 1HG GLU 2 1HG GLU 2 -52.639 29.082 3.166 15 2HG GLU 2 2HG GLU 2 -51.372 29.614 2.079 16 HE2 GLU 2 HE2 GLU 2 -54.036 31.403 3.684 17 H VAL 3 H VAL 3 -51.170 26.905 3.437 18 HA VAL 3 HA VAL 3 -53.278 25.196 4.537 19 HB VAL 3 HB VAL 3 -51.226 24.084 4.561 20 1HG1 VAL 3 1HG1 VAL 3 -49.178 25.232 5.688 21 2HG1 VAL 3 2HG1 VAL 3 -49.596 25.656 4.011 22 3HG1 VAL 3 3HG1 VAL 3 -50.049 26.745 5.344 23 1HG2 VAL 3 1HG2 VAL 3 -51.475 25.371 7.301 24 2HG2 VAL 3 2HG2 VAL 3 -52.431 23.989 6.714 25 3HG2 VAL 3 3HG2 VAL 3 -50.671 23.828 6.926 26 H ALA 4 H ALA 4 -53.654 25.486 6.973 27 HA ALA 4 HA ALA 4 -54.658 27.999 7.452 28 1HB ALA 4 1HB ALA 4 -55.223 27.149 9.546 29 2HB ALA 4 2HB ALA 4 -54.977 25.651 8.615 30 3HB ALA 4 3HB ALA 4 -53.700 26.242 9.706 31 H MET 5 H MET 5 -53.973 29.735 8.884 32 HA MET 5 HA MET 5 -51.332 30.459 8.438 33 1HB MET 5 1HB MET 5 -51.900 32.385 9.908 34 2HB MET 5 2HB MET 5 -53.247 32.041 8.841 35 1HG MET 5 1HG MET 5 -53.734 30.399 11.084 36 2HG MET 5 2HG MET 5 -53.112 31.883 11.780 37 1HE MET 5 1HE MET 5 -56.209 31.415 12.564 38 2HE MET 5 2HE MET 5 -54.934 32.596 12.948 39 3HE MET 5 3HE MET 5 -56.511 33.155 12.341 40 H VAL 6 H VAL 6 -49.490 30.567 9.813 41 HA VAL 6 HA VAL 6 -49.770 29.070 12.325 42 HB VAL 6 HB VAL 6 -47.457 28.959 10.381 43 1HG1 VAL 6 1HG1 VAL 6 -47.995 27.715 13.069 44 2HG1 VAL 6 2HG1 VAL 6 -46.960 26.882 11.884 45 3HG1 VAL 6 3HG1 VAL 6 -46.523 28.508 12.462 46 1HG2 VAL 6 1HG2 VAL 6 -48.316 27.105 9.401 47 2HG2 VAL 6 2HG2 VAL 6 -49.073 26.528 10.905 48 3HG2 VAL 6 3HG2 VAL 6 -49.867 27.794 9.938 49 H SER 7 H SER 7 -47.800 29.544 13.816 50 HA SER 7 HA SER 7 -46.952 32.296 13.411 51 1HB SER 7 1HB SER 7 -47.935 31.173 16.071 52 2HB SER 7 2HB SER 7 -47.377 32.809 15.783 53 HG SER 7 HG SER 7 -49.516 31.818 14.168 54 H ALA 8 H ALA 8 -45.434 32.574 15.790 55 HA ALA 8 HA ALA 8 -43.114 31.169 15.108 56 1HB ALA 8 1HB ALA 8 -42.180 32.236 17.079 57 2HB ALA 8 2HB ALA 8 -43.266 33.392 16.271 58 3HB ALA 8 3HB ALA 8 -43.806 32.538 17.737 59 H GLU 9 H GLU 9 -42.946 30.818 18.361 60 HA GLU 9 HA GLU 9 -42.787 28.115 18.325 61 1HB GLU 9 1HB GLU 9 -42.829 30.232 20.331 62 2HB GLU 9 2HB GLU 9 -43.630 28.801 20.948 63 1HG GLU 9 1HG GLU 9 -41.153 28.142 19.487 64 2HG GLU 9 2HG GLU 9 -40.856 29.228 20.830 65 HE2 GLU 9 HE2 GLU 9 -43.301 26.366 21.442 66 H SER 10 H SER 10 -44.204 26.519 19.657 67 HA SER 10 HA SER 10 -47.007 27.198 19.247 68 1HB SER 10 1HB SER 10 -45.463 24.778 18.324 69 2HB SER 10 2HB SER 10 -47.134 24.556 18.804 70 HG SER 10 HG SER 10 -47.502 26.521 17.287 71 H SER 11 H SER 11 -44.768 24.722 20.712 72 HA SER 11 HA SER 11 -44.694 23.810 22.679 73 1HB SER 11 1HB SER 11 -45.329 26.454 23.245 74 2HB SER 11 2HB SER 11 -46.583 25.589 24.111 75 HG SER 11 HG SER 11 -45.145 24.868 25.539 76 H GLY 12 H GLY 12 -45.892 21.967 21.809 77 1HA GLY 12 1HA GLY 12 -48.387 21.519 23.219 78 2HA GLY 12 2HA GLY 12 -48.523 21.578 21.473 79 H CYS 13 H CYS 13 -48.923 19.408 21.011 80 HA CYS 13 HA CYS 13 -46.919 17.521 22.003 81 1HB CYS 13 1HB CYS 13 -48.587 15.759 21.558 82 2HB CYS 13 2HB CYS 13 -49.163 16.939 22.718 83 HG CYS 13 HG CYS 13 -50.996 16.033 20.891 84 H ASN 14 H ASN 14 -45.713 18.841 20.121 85 HA ASN 14 HA ASN 14 -46.492 17.834 17.535 86 1HB ASN 14 1HB ASN 14 -45.015 20.146 18.561 87 2HB ASN 14 2HB ASN 14 -44.050 19.317 17.355 88 1HD2 ASN 14 1HD2 ASN 14 -44.841 19.036 15.251 89 2HD2 ASN 14 2HD2 ASN 14 -46.089 20.037 14.587 90 H SER 15 H SER 15 -45.320 16.137 19.798 91 HA SER 15 HA SER 15 -43.238 14.960 18.201 92 1HB SER 15 1HB SER 15 -42.656 16.543 20.544 93 2HB SER 15 2HB SER 15 -42.294 14.869 20.917 94 HG SER 15 HG SER 15 -40.436 15.783 19.986 95 H HIS 16 H HIS 16 -44.840 13.272 17.908 96 HA HIS 16 HA HIS 16 -44.697 11.250 19.827 97 1HB HIS 16 1HB HIS 16 -46.641 13.159 20.464 98 2HB HIS 16 2HB HIS 16 -47.545 11.855 19.719 99 HD1 HIS 16 HD1 HIS 16 -45.158 12.495 22.618 100 HD2 HIS 16 HD2 HIS 16 -47.895 9.603 21.299 101 HE1 HIS 16 HE1 HIS 16 -45.422 10.833 24.536 102 H MET 17 H MET 17 -43.897 10.846 17.447 103 HA MET 17 HA MET 17 -46.078 10.247 15.675 104 1HB MET 17 1HB MET 17 -44.228 9.705 14.078 105 2HB MET 17 2HB MET 17 -43.962 11.270 14.821 106 1HG MET 17 1HG MET 17 -41.906 10.520 15.443 107 2HG MET 17 2HG MET 17 -42.713 9.482 16.601 108 1HE MET 17 1HE MET 17 -41.422 6.214 15.576 109 2HE MET 17 2HE MET 17 -40.907 7.603 16.563 110 3HE MET 17 3HE MET 17 -42.602 7.060 16.606 111 HA PRO 18 HA PRO 18 -46.172 5.998 16.548 112 1HB PRO 18 1HB PRO 18 -47.072 4.945 14.192 113 2HB PRO 18 2HB PRO 18 -48.126 5.710 15.364 114 1HG PRO 18 1HG PRO 18 -47.158 6.763 12.777 115 2HG PRO 18 2HG PRO 18 -48.515 7.305 13.745 116 1HD PRO 18 1HD PRO 18 -45.950 8.570 13.524 117 2HD PRO 18 2HD PRO 18 -47.266 9.046 14.579 118 H TYR 19 H TYR 19 -44.839 4.284 16.793 119 HA TYR 19 HA TYR 19 -42.453 4.439 15.165 120 1HB TYR 19 1HB TYR 19 -42.114 4.034 17.521 121 2HB TYR 19 2HB TYR 19 -43.528 3.005 17.634 122 HD1 TYR 19 HD1 TYR 19 -43.405 0.634 17.129 123 HD2 TYR 19 HD2 TYR 19 -39.976 3.147 16.646 124 HE1 TYR 19 HE1 TYR 19 -41.917 -1.420 16.942 125 HE2 TYR 19 HE2 TYR 19 -38.500 1.085 16.460 126 HH TYR 19 HH TYR 19 -38.404 -1.068 16.523 127 H GLY 20 H GLY 20 -42.161 3.292 13.325 128 1HA GLY 20 1HA GLY 20 -43.150 0.578 13.143 129 2HA GLY 20 2HA GLY 20 -43.937 1.712 12.064 130 H TYR 21 H TYR 21 -42.944 2.274 10.145 131 HA TYR 21 HA TYR 21 -40.762 0.824 9.246 132 1HB TYR 21 1HB TYR 21 -42.383 1.914 7.753 133 2HB TYR 21 2HB TYR 21 -42.140 3.470 8.522 134 HD1 TYR 21 HD1 TYR 21 -40.123 0.889 6.678 135 HD2 TYR 21 HD2 TYR 21 -40.879 5.042 7.376 136 HE1 TYR 21 HE1 TYR 21 -38.412 1.506 4.902 137 HE2 TYR 21 HE2 TYR 21 -39.166 5.645 5.597 138 HH TYR 21 HH TYR 21 -38.054 3.496 3.364 139 H ALA 22 H ALA 22 -40.880 3.611 11.330 140 HA ALA 22 HA ALA 22 -38.189 4.440 10.621 141 1HB ALA 22 1HB ALA 22 -38.619 6.250 12.226 142 2HB ALA 22 2HB ALA 22 -39.968 6.111 11.072 143 3HB ALA 22 3HB ALA 22 -40.139 5.468 12.723 144 H ALA 23 H ALA 23 -39.112 1.741 11.946 145 HA ALA 23 HA ALA 23 -37.939 1.880 14.551 146 1HB ALA 23 1HB ALA 23 -39.781 0.341 14.023 147 2HB ALA 23 2HB ALA 23 -38.776 -0.463 12.793 148 3HB ALA 23 3HB ALA 23 -38.333 -0.570 14.514 149 H GLN 24 H GLN 24 -36.666 2.018 11.440 150 HA GLN 24 HA GLN 24 -34.420 0.320 11.985 151 1HB GLN 24 1HB GLN 24 -35.519 1.791 9.643 152 2HB GLN 24 2HB GLN 24 -33.770 1.700 9.690 153 1HG GLN 24 1HG GLN 24 -33.785 -0.500 9.123 154 2HG GLN 24 2HG GLN 24 -34.916 -0.889 10.404 155 1HE2 GLN 24 1HE2 GLN 24 -35.403 -2.372 8.450 156 2HE2 GLN 24 2HE2 GLN 24 -36.698 -1.869 7.415 157 H ALA 25 H ALA 25 -35.359 3.318 13.058 158 HA ALA 25 HA ALA 25 -33.135 4.936 12.595 159 1HB ALA 25 1HB ALA 25 -34.951 4.911 15.036 160 2HB ALA 25 2HB ALA 25 -34.039 6.292 14.379 161 3HB ALA 25 3HB ALA 25 -35.408 5.614 13.465 162 H ARG 26 H ARG 26 -33.579 2.080 14.550 163 HA ARG 26 HA ARG 26 -31.631 2.709 16.467 164 1HB ARG 26 1HB ARG 26 -33.536 0.697 16.113 165 2HB ARG 26 2HB ARG 26 -32.036 -0.174 15.864 166 1HG ARG 26 1HG ARG 26 -31.480 -0.063 18.073 167 2HG ARG 26 2HG ARG 26 -31.845 1.648 18.165 168 1HD ARG 26 1HD ARG 26 -33.578 0.945 19.504 169 2HD ARG 26 2HD ARG 26 -34.390 0.666 17.976 170 HE ARG 26 HE ARG 26 -32.762 -1.614 18.801 171 1HH1 ARG 26 2HH2 ARG 26 -35.923 -0.062 19.195 172 2HH1 ARG 26 1HH2 ARG 26 -36.722 -1.526 19.662 173 1HH2 ARG 26 1HH ARG 26 -35.464 -3.562 19.786 174 H ALA 27 H ALA 27 -31.629 1.299 13.202 175 HA ALA 27 HA ALA 27 -29.057 0.123 13.367 176 1HB ALA 27 1HB ALA 27 -29.570 0.675 10.686 177 2HB ALA 27 2HB ALA 27 -30.039 -0.804 11.558 178 3HB ALA 27 3HB ALA 27 -31.195 0.540 11.399 179 H ARG 28 H ARG 28 -30.335 3.373 12.697 180 HA ARG 28 HA ARG 28 -28.121 4.369 11.392 181 1HB ARG 28 1HB ARG 28 -30.549 5.375 11.943 182 2HB ARG 28 2HB ARG 28 -29.711 6.107 13.296 183 1HG ARG 28 1HG ARG 28 -28.497 7.540 11.955 184 2HG ARG 28 2HG ARG 28 -28.301 6.355 10.678 185 1HD ARG 28 1HD ARG 28 -30.464 6.808 9.757 186 2HD ARG 28 2HD ARG 28 -31.026 7.591 11.220 187 HE ARG 28 HE ARG 28 -28.803 9.093 10.332 188 1HH1 ARG 28 2HH2 ARG 28 -32.027 8.260 9.120 189 2HH1 ARG 28 1HH2 ARG 28 -32.187 9.710 8.187 190 1HH2 ARG 28 1HH ARG 28 -30.404 11.311 8.191 191 H GLU 29 H GLU 29 -28.811 3.748 14.824 192 HA GLU 29 HA GLU 29 -26.636 5.356 15.721 193 1HB GLU 29 1HB GLU 29 -28.942 4.154 16.883 194 2HB GLU 29 2HB GLU 29 -27.568 3.424 17.688 195 1HG GLU 29 1HG GLU 29 -26.765 5.499 18.503 196 2HG GLU 29 2HG GLU 29 -27.616 6.425 17.282 197 HE2 GLU 29 HE2 GLU 29 -29.872 7.086 19.793 198 H ARG 30 H ARG 30 -27.170 2.056 14.638 199 HA ARG 30 HA ARG 30 -24.759 1.149 15.902 200 1HB ARG 30 1HB ARG 30 -27.075 -0.092 14.482 201 2HB ARG 30 2HB ARG 30 -25.544 -0.901 14.212 202 1HG ARG 30 1HG ARG 30 -25.869 -1.944 16.204 203 2HG ARG 30 2HG ARG 30 -25.509 -0.409 16.970 204 1HD ARG 30 1HD ARG 30 -27.836 0.177 17.151 205 2HD ARG 30 2HD ARG 30 -28.323 -1.054 16.003 206 HE ARG 30 HE ARG 30 -27.794 -1.441 18.847 207 1HH1 ARG 30 2HH2 ARG 30 -27.848 -3.072 15.702 208 2HH1 ARG 30 1HH2 ARG 30 -28.081 -4.647 16.383 209 1HH2 ARG 30 1HH ARG 30 -28.227 -4.886 18.764 210 H GLU 31 H GLU 31 -25.968 2.314 12.783 211 HA GLU 31 HA GLU 31 -23.880 1.238 11.239 212 1HB GLU 31 1HB GLU 31 -26.279 2.288 10.620 213 2HB GLU 31 2HB GLU 31 -25.323 3.738 10.390 214 1HG GLU 31 1HG GLU 31 -23.738 2.265 8.943 215 2HG GLU 31 2HG GLU 31 -25.012 1.061 8.973 216 HE2 GLU 31 HE2 GLU 31 -24.180 4.156 7.706 217 H ARG 32 H ARG 32 -24.182 3.972 13.399 218 HA ARG 32 HA ARG 32 -22.386 5.697 12.247 219 1HB ARG 32 1HB ARG 32 -23.707 5.346 14.829 220 2HB ARG 32 2HB ARG 32 -22.054 5.869 15.084 221 1HG ARG 32 1HG ARG 32 -22.503 7.695 13.305 222 2HG ARG 32 2HG ARG 32 -24.196 7.260 13.420 223 1HD ARG 32 1HD ARG 32 -23.914 9.079 14.956 224 2HD ARG 32 2HD ARG 32 -24.007 7.646 15.961 225 HE ARG 32 HE ARG 32 -21.304 7.854 15.533 226 1HH1 ARG 32 2HH2 ARG 32 -23.721 10.212 16.606 227 2HH1 ARG 32 1HH2 ARG 32 -22.591 11.126 17.549 228 1HH2 ARG 32 1HH ARG 32 -20.299 10.430 17.635 229 H LEU 33 H LEU 33 -21.938 2.686 14.071 230 HA LEU 33 HA LEU 33 -19.107 3.204 14.438 231 1HB LEU 33 1HB LEU 33 -21.060 1.770 15.829 232 2HB LEU 33 2HB LEU 33 -20.032 0.542 15.117 233 HG LEU 33 HG LEU 33 -18.298 2.499 16.221 234 1HD1 LEU 33 1HD1 LEU 33 -19.036 3.084 18.273 235 2HD1 LEU 33 2HD1 LEU 33 -20.631 2.892 17.507 236 3HD1 LEU 33 3HD1 LEU 33 -19.956 1.577 18.500 237 1HD2 LEU 33 1HD2 LEU 33 -17.584 0.649 17.659 238 2HD2 LEU 33 2HD2 LEU 33 -19.035 -0.274 17.199 239 3HD2 LEU 33 3HD2 LEU 33 -17.807 0.122 15.973 240 H ALA 34 H ALA 34 -21.240 1.981 12.047 241 HA ALA 34 HA ALA 34 -19.393 0.031 11.006 242 1HB ALA 34 1HB ALA 34 -21.177 0.169 9.081 243 2HB ALA 34 2HB ALA 34 -21.627 -0.556 10.643 244 3HB ALA 34 3HB ALA 34 -22.111 1.115 10.265 245 H HIS 35 H HIS 35 -19.177 3.280 11.251 246 HA HIS 35 HA HIS 35 -18.462 3.782 8.491 247 1HB HIS 35 1HB HIS 35 -19.130 5.396 10.867 248 2HB HIS 35 2HB HIS 35 -17.833 6.058 9.893 249 HD1 HIS 35 HD1 HIS 35 -18.780 5.443 7.045 250 HD2 HIS 35 HD2 HIS 35 -21.326 6.819 10.080 251 HE1 HIS 35 HE1 HIS 35 -20.770 6.525 5.872 252 H SER 36 H SER 36 -17.047 2.531 11.337 253 HA SER 36 HA SER 36 -14.449 3.617 10.749 254 1HB SER 36 1HB SER 36 -15.044 3.425 13.096 255 2HB SER 36 2HB SER 36 -15.489 1.740 12.910 256 HG SER 36 HG SER 36 -12.862 2.920 12.864 257 H ARG 37 H ARG 37 -16.439 0.863 9.986 258 HA ARG 37 HA ARG 37 -14.171 -0.810 9.447 259 1HB ARG 37 1HB ARG 37 -16.765 -1.357 10.218 260 2HB ARG 37 2HB ARG 37 -16.885 -1.633 8.492 261 1HG ARG 37 1HG ARG 37 -15.941 -3.670 8.794 262 2HG ARG 37 2HG ARG 37 -14.451 -2.875 9.259 263 1HD ARG 37 1HD ARG 37 -14.705 -3.718 11.351 264 2HD ARG 37 2HD ARG 37 -16.117 -2.700 11.555 265 HE ARG 37 HE ARG 37 -16.749 -5.110 10.053 266 1HH1 ARG 37 2HH2 ARG 37 -16.256 -3.867 13.334 267 2HH1 ARG 37 1HH2 ARG 37 -17.230 -5.091 14.078 268 1HH2 ARG 37 1HH ARG 37 -18.265 -6.762 12.706 269 H ALA 38 H ALA 38 -15.119 1.842 7.962 270 HA ALA 38 HA ALA 38 -15.868 1.077 5.368 271 1HB ALA 38 1HB ALA 38 -14.811 3.461 4.922 272 2HB ALA 38 2HB ALA 38 -16.304 3.303 5.878 273 3HB ALA 38 3HB ALA 38 -14.741 3.533 6.699 274 H ALA 39 H ALA 39 -12.662 2.368 6.512 275 HA ALA 39 HA ALA 39 -11.405 1.177 4.205 276 1HB ALA 39 1HB ALA 39 -9.381 2.207 5.708 277 2HB ALA 39 2HB ALA 39 -10.362 3.171 4.579 278 3HB ALA 39 3HB ALA 39 -10.751 3.167 6.316 279 H ALA 40 H ALA 40 -12.317 -1.017 5.130 280 HA ALA 40 HA ALA 40 -11.386 -2.221 7.375 281 1HB ALA 40 1HB ALA 40 -12.036 -4.226 6.357 282 2HB ALA 40 2HB ALA 40 -12.961 -3.017 5.435 283 3HB ALA 40 3HB ALA 40 -11.473 -3.710 4.749 284 H ALA 41 H ALA 41 -9.819 -2.580 4.108 285 HA ALA 41 HA ALA 41 -7.587 -3.874 4.786 286 1HB ALA 41 1HB ALA 41 -7.688 -3.415 2.538 287 2HB ALA 41 2HB ALA 41 -8.251 -1.746 2.793 288 3HB ALA 41 3HB ALA 41 -6.531 -2.147 3.010 289 H ALA 42 H ALA 42 -6.638 -3.566 6.793 290 HA ALA 42 HA ALA 42 -5.794 -0.836 7.431 291 1HB ALA 42 1HB ALA 42 -5.541 -1.702 9.716 292 2HB ALA 42 2HB ALA 42 -7.170 -2.060 9.095 293 3HB ALA 42 3HB ALA 42 -5.937 -3.343 9.155 294 H ALA 43 H ALA 43 -4.434 -4.122 8.147 295 HA ALA 43 HA ALA 43 -1.805 -3.295 8.162 296 1HB ALA 43 1HB ALA 43 -1.334 -5.540 8.436 297 2HB ALA 43 2HB ALA 43 -3.074 -5.552 8.813 298 3HB ALA 43 3HB ALA 43 -2.509 -6.050 7.200 299 H VAL 44 H VAL 44 -4.016 -3.681 5.498 300 HA VAL 44 HA VAL 44 -1.855 -3.972 3.578 301 HB VAL 44 HB VAL 44 -4.744 -4.418 3.676 302 1HG1 VAL 44 1HG1 VAL 44 -4.731 -2.442 2.192 303 2HG1 VAL 44 2HG1 VAL 44 -3.563 -3.261 1.127 304 3HG1 VAL 44 3HG1 VAL 44 -5.202 -3.927 1.329 305 1HG2 VAL 44 1HG2 VAL 44 -2.301 -5.614 2.523 306 2HG2 VAL 44 2HG2 VAL 44 -3.741 -6.389 3.226 307 3HG2 VAL 44 3HG2 VAL 44 -3.770 -5.819 1.540 308 H ALA 45 H ALA 45 -4.043 -1.557 4.985 309 HA ALA 45 HA ALA 45 -4.003 0.395 3.073 310 1HB ALA 45 1HB ALA 45 -4.786 0.110 5.743 311 2HB ALA 45 2HB ALA 45 -3.613 1.449 5.776 312 3HB ALA 45 3HB ALA 45 -5.038 1.541 4.715 313 H ALA 46 H ALA 46 -1.590 -0.124 5.744 314 HA ALA 46 HA ALA 46 0.130 1.903 4.763 315 1HB ALA 46 1HB ALA 46 0.637 -0.414 6.673 316 2HB ALA 46 2HB ALA 46 1.668 1.024 6.475 317 3HB ALA 46 3HB ALA 46 0.022 1.192 7.130 318 H ALA 47 H ALA 47 0.389 -1.728 4.824 319 HA ALA 47 HA ALA 47 2.659 -1.826 3.211 320 1HB ALA 47 1HB ALA 47 0.845 -4.110 2.927 321 2HB ALA 47 2HB ALA 47 2.463 -4.027 3.664 322 3HB ALA 47 3HB ALA 47 1.026 -3.599 4.623 323 H THR 48 H THR 48 1.983 -3.619 1.104 324 HA THR 48 HA THR 48 1.398 -3.597 -1.040 325 HB THR 48 HB THR 48 -0.976 -2.062 0.135 326 HG1 THR 48 HG1 THR 48 -0.295 -4.407 0.662 327 1HG2 THR 48 1HG2 THR 48 -0.296 -2.604 -2.654 328 2HG2 THR 48 2HG2 THR 48 -1.699 -3.586 -2.168 329 3HG2 THR 48 3HG2 THR 48 -1.751 -1.815 -2.000 330 H ALA 49 H ALA 49 3.478 -2.124 -0.859 331 HA ALA 49 HA ALA 49 3.370 0.585 -1.173 332 1HB ALA 49 1HB ALA 49 5.580 0.397 -1.952 333 2HB ALA 49 2HB ALA 49 5.358 -1.095 -1.007 334 3HB ALA 49 3HB ALA 49 5.258 -1.144 -2.784 335 H ALA 50 H ALA 50 3.851 1.839 -3.282 336 HA ALA 50 HA ALA 50 1.740 1.155 -5.131 337 1HB ALA 50 1HB ALA 50 2.244 3.395 -6.057 338 2HB ALA 50 2HB ALA 50 2.001 3.458 -4.295 339 3HB ALA 50 3HB ALA 50 3.647 3.525 -4.970 340 H VAL 51 H VAL 51 3.535 -0.883 -5.276 341 HA VAL 51 HA VAL 51 4.689 -0.422 -7.908 342 HB VAL 51 HB VAL 51 6.198 -1.418 -5.489 343 1HG1 VAL 51 1HG1 VAL 51 6.506 -2.130 -8.303 344 2HG1 VAL 51 2HG1 VAL 51 7.973 -1.375 -7.635 345 3HG1 VAL 51 3HG1 VAL 51 7.282 -2.820 -6.857 346 1HG2 VAL 51 1HG2 VAL 51 7.695 0.405 -5.881 347 2HG2 VAL 51 2HG2 VAL 51 6.920 0.790 -7.437 348 3HG2 VAL 51 3HG2 VAL 51 6.043 1.067 -5.913 349 H GLU 52 H GLU 52 2.328 -1.617 -7.717 350 HA GLU 52 HA GLU 52 2.199 -4.211 -6.918 351 1HB GLU 52 1HB GLU 52 0.476 -2.468 -8.097 352 2HB GLU 52 2HB GLU 52 0.798 -3.506 -9.471 353 1HG GLU 52 1HG GLU 52 -0.476 -5.179 -8.612 354 2HG GLU 52 2HG GLU 52 0.378 -5.131 -7.082 355 HE2 GLU 52 HE2 GLU 52 -2.643 -4.864 -8.091 356 H GLY 53 H GLY 53 1.950 -6.199 -8.462 357 1HA GLY 53 1HA GLY 53 3.212 -6.355 -10.927 358 2HA GLY 53 2HA GLY 53 4.453 -6.636 -9.721 359 H THR 54 H THR 54 4.093 -8.384 -8.083 360 HA THR 54 HA THR 54 3.782 -10.575 -7.746 361 HB THR 54 HB THR 54 1.642 -9.398 -6.946 362 HG1 THR 54 HG1 THR 54 2.023 -11.641 -6.476 363 1HG2 THR 54 1HG2 THR 54 0.470 -8.854 -8.993 364 2HG2 THR 54 2HG2 THR 54 0.716 -10.492 -9.645 365 3HG2 THR 54 3HG2 THR 54 -0.410 -10.232 -8.291 366 H GLY 55 H GLY 55 2.044 -12.512 -8.792 367 1HA GLY 55 1HA GLY 55 1.544 -13.682 -10.710 368 2HA GLY 55 2HA GLY 55 2.388 -12.492 -11.682 369 H GLY 56 H GLY 56 2.521 -15.646 -10.489 370 1HA GLY 56 1HA GLY 56 4.849 -16.405 -11.657 371 2HA GLY 56 2HA GLY 56 5.365 -15.846 -10.079 372 H SER 57 H SER 57 3.017 -18.052 -11.721 373 HA SER 57 HA SER 57 3.140 -19.694 -9.312 374 1HB SER 57 1HB SER 57 0.874 -18.636 -10.115 375 2HB SER 57 2HB SER 57 0.916 -19.860 -11.368 376 HG SER 57 HG SER 57 -0.009 -20.172 -8.913 377 H GLY 58 H GLY 58 3.813 -21.839 -9.546 378 1HA GLY 58 1HA GLY 58 3.662 -23.295 -11.957 379 2HA GLY 58 2HA GLY 58 5.260 -22.590 -11.812 380 H GLY 59 H GLY 59 6.616 -24.225 -11.170 381 1HA GLY 59 1HA GLY 59 7.248 -25.165 -8.908 382 2HA GLY 59 2HA GLY 59 5.692 -25.968 -8.972 383 H GLY 60 H GLY 60 8.624 -26.951 -9.033 384 1HA GLY 60 1HA GLY 60 8.733 -29.261 -10.040 385 2HA GLY 60 2HA GLY 60 8.501 -28.450 -11.577 386 HA PRO 61 HA PRO 61 12.749 -27.599 -11.742 387 1HB PRO 61 1HB PRO 61 12.884 -25.265 -13.157 388 2HB PRO 61 2HB PRO 61 12.620 -26.827 -13.908 389 1HG PRO 61 1HG PRO 61 10.676 -24.654 -13.418 390 2HG PRO 61 2HG PRO 61 10.550 -26.013 -14.518 391 1HD PRO 61 1HD PRO 61 9.245 -25.735 -11.979 392 2HD PRO 61 2HD PRO 61 9.213 -27.140 -13.026 393 H HIS 62 H HIS 62 14.397 -26.940 -10.473 394 HA HIS 62 HA HIS 62 13.729 -24.566 -8.890 395 1HB HIS 62 1HB HIS 62 14.353 -27.252 -8.052 396 2HB HIS 62 2HB HIS 62 15.601 -26.163 -7.480 397 HD1 HIS 62 HD1 HIS 62 14.867 -24.247 -5.811 398 HD2 HIS 62 HD2 HIS 62 11.846 -26.977 -6.818 399 HE1 HIS 62 HE1 HIS 62 12.990 -23.892 -4.119 400 H HIS 63 H HIS 63 14.777 -23.373 -10.701 401 HA HIS 63 HA HIS 63 17.213 -23.723 -11.718 402 1HB HIS 63 1HB HIS 63 15.393 -21.716 -11.730 403 2HB HIS 63 2HB HIS 63 16.666 -20.953 -10.799 404 HD1 HIS 63 HD1 HIS 63 16.242 -22.754 -14.155 405 HD2 HIS 63 HD2 HIS 63 18.671 -19.866 -12.322 406 HE1 HIS 63 HE1 HIS 63 17.776 -21.848 -15.981 407 H HIS 64 H HIS 64 16.646 -21.796 -8.681 408 HA HIS 64 HA HIS 64 19.408 -21.795 -8.076 409 1HB HIS 64 1HB HIS 64 18.715 -20.728 -5.989 410 2HB HIS 64 2HB HIS 64 17.961 -19.981 -7.383 411 HD1 HIS 64 HD1 HIS 64 15.362 -20.648 -7.809 412 HD2 HIS 64 HD2 HIS 64 16.961 -21.660 -4.066 413 HE1 HIS 64 HE1 HIS 64 13.371 -21.106 -6.282 414 H HIS 65 H HIS 65 20.611 -23.379 -7.158 415 HA HIS 65 HA HIS 65 21.110 -25.344 -6.296 416 1HB HIS 65 1HB HIS 65 19.864 -23.780 -4.342 417 2HB HIS 65 2HB HIS 65 19.143 -25.365 -4.144 418 HD1 HIS 65 HD1 HIS 65 21.910 -23.462 -2.961 419 HD2 HIS 65 HD2 HIS 65 21.404 -27.465 -4.109 420 HE1 HIS 65 HE1 HIS 65 23.835 -24.758 -1.902 421 H GLN 66 H GLN 66 20.503 -26.781 -7.944 422 HA GLN 66 HA GLN 66 17.781 -27.631 -8.068 423 1HB GLN 66 1HB GLN 66 19.512 -27.345 -10.021 424 2HB GLN 66 2HB GLN 66 20.088 -28.930 -9.546 425 1HG GLN 66 1HG GLN 66 18.276 -29.983 -10.450 426 2HG GLN 66 2HG GLN 66 17.149 -28.852 -9.727 427 1HE2 GLN 66 1HE2 GLN 66 16.944 -29.925 -12.313 428 2HE2 GLN 66 2HE2 GLN 66 17.068 -28.650 -13.479 429 H THR 67 H THR 67 17.591 -30.251 -8.405 430 HA THR 67 HA THR 67 17.947 -31.330 -5.847 431 HB THR 67 HB THR 67 17.458 -32.708 -8.541 432 HG1 THR 67 HG1 THR 67 15.193 -32.321 -7.679 433 1HG2 THR 67 1HG2 THR 67 17.779 -34.413 -6.837 434 2HG2 THR 67 2HG2 THR 67 16.879 -33.459 -5.634 435 3HG2 THR 67 3HG2 THR 67 16.020 -34.198 -7.006 436 H ARG 68 H ARG 68 19.053 -33.609 -5.584 437 HA ARG 68 HA ARG 68 21.704 -33.154 -5.455 438 1HB ARG 68 1HB ARG 68 21.951 -35.570 -5.043 439 2HB ARG 68 2HB ARG 68 20.470 -35.007 -4.294 440 1HG ARG 68 1HG ARG 68 19.487 -35.681 -6.750 441 2HG ARG 68 2HG ARG 68 20.837 -36.797 -6.673 442 1HD ARG 68 1HD ARG 68 19.041 -36.569 -4.253 443 2HD ARG 68 2HD ARG 68 18.438 -37.439 -5.649 444 HE ARG 68 HE ARG 68 21.151 -38.234 -4.874 445 1HH1 ARG 68 2HH2 ARG 68 17.699 -38.817 -4.329 446 2HH1 ARG 68 1HH2 ARG 68 17.938 -40.423 -3.726 447 1HH2 ARG 68 1HH ARG 68 20.162 -41.305 -3.587 448 H GLY 69 H GLY 69 23.546 -33.623 -6.765 449 1HA GLY 69 1HA GLY 69 23.898 -35.191 -8.885 450 2HA GLY 69 2HA GLY 69 22.971 -33.890 -9.606 451 H ALA 70 H ALA 70 25.975 -34.675 -7.793 452 HA ALA 70 HA ALA 70 27.352 -32.612 -9.251 453 1HB ALA 70 1HB ALA 70 27.292 -31.038 -7.651 454 2HB ALA 70 2HB ALA 70 26.329 -32.107 -6.602 455 3HB ALA 70 3HB ALA 70 28.107 -32.166 -6.541 456 H TYR 71 H TYR 71 28.088 -34.840 -10.005 457 HA TYR 71 HA TYR 71 30.136 -35.850 -8.148 458 1HB TYR 71 1HB TYR 71 28.009 -37.036 -9.903 459 2HB TYR 71 2HB TYR 71 29.573 -37.799 -10.111 460 HD1 TYR 71 HD1 TYR 71 30.793 -38.490 -7.849 461 HD2 TYR 71 HD2 TYR 71 26.584 -37.833 -8.243 462 HE1 TYR 71 HE1 TYR 71 30.371 -39.904 -5.778 463 HE2 TYR 71 HE2 TYR 71 26.176 -39.249 -6.172 464 HH TYR 71 HH TYR 71 28.546 -40.013 -4.017 465 H SER 72 H SER 72 32.158 -35.318 -8.795 466 HA SER 72 HA SER 72 32.843 -35.752 -11.529 467 1HB SER 72 1HB SER 72 32.789 -32.971 -10.321 468 2HB SER 72 2HB SER 72 33.937 -33.364 -11.585 469 HG SER 72 HG SER 72 32.174 -33.938 -12.981 470 H SER 73 H SER 73 33.944 -34.029 -8.511 471 HA SER 73 HA SER 73 36.546 -35.211 -8.887 472 1HB SER 73 1HB SER 73 36.266 -32.778 -8.284 473 2HB SER 73 2HB SER 73 35.575 -33.263 -6.749 474 HG SER 73 HG SER 73 37.587 -34.335 -6.228 475 H HIS 74 H HIS 74 36.678 -37.321 -8.168 476 HA HIS 74 HA HIS 74 36.041 -37.780 -5.396 477 1HB HIS 74 1HB HIS 74 34.218 -38.551 -7.444 478 2HB HIS 74 2HB HIS 74 34.975 -40.015 -6.848 479 HD1 HIS 74 HD1 HIS 74 32.980 -40.906 -5.525 480 HD2 HIS 74 HD2 HIS 74 34.080 -37.007 -4.436 481 HE1 HIS 74 HE1 HIS 74 31.648 -40.348 -3.421 482 H ASP 75 H ASP 75 37.939 -38.568 -4.641 483 HA ASP 75 HA ASP 75 38.976 -40.935 -5.656 484 1HB ASP 75 1HB ASP 75 41.224 -40.024 -6.397 485 2HB ASP 75 2HB ASP 75 39.900 -39.659 -7.487 486 HD2 ASP 75 HD2 ASP 75 42.280 -36.994 -6.468 Start of MODEL 23 1 H MET 1 H MET 1 -21.603 23.460 17.339 2 HA MET 1 HA MET 1 -23.538 25.260 18.099 3 1HB MET 1 1HB MET 1 -21.033 26.535 17.676 4 2HB MET 1 2HB MET 1 -21.911 26.824 16.187 5 1HG MET 1 1HG MET 1 -22.928 28.546 17.282 6 2HG MET 1 2HG MET 1 -23.858 27.324 18.126 7 1HE MET 1 1HE MET 1 -23.473 26.810 20.849 8 2HE MET 1 2HE MET 1 -23.246 28.446 21.512 9 3HE MET 1 3HE MET 1 -24.346 28.188 20.137 10 H GLU 2 H GLU 2 -24.728 23.655 16.904 11 HA GLU 2 HA GLU 2 -25.033 24.328 14.199 12 1HB GLU 2 1HB GLU 2 -22.932 22.668 14.416 13 2HB GLU 2 2HB GLU 2 -24.191 21.450 14.472 14 1HG GLU 2 1HG GLU 2 -24.066 21.550 12.186 15 2HG GLU 2 2HG GLU 2 -25.097 22.956 12.368 16 HE2 GLU 2 HE2 GLU 2 -23.905 24.962 12.656 17 H VAL 3 H VAL 3 -27.110 24.665 15.428 18 HA VAL 3 HA VAL 3 -28.612 22.146 15.475 19 HB VAL 3 HB VAL 3 -27.932 23.085 17.756 20 1HG1 VAL 3 1HG1 VAL 3 -30.007 25.146 16.947 21 2HG1 VAL 3 2HG1 VAL 3 -29.477 24.863 18.622 22 3HG1 VAL 3 3HG1 VAL 3 -28.312 25.435 17.404 23 1HG2 VAL 3 1HG2 VAL 3 -29.675 21.946 18.621 24 2HG2 VAL 3 2HG2 VAL 3 -30.881 22.961 17.794 25 3HG2 VAL 3 3HG2 VAL 3 -30.092 21.626 16.920 26 H ALA 4 H ALA 4 -31.148 22.977 15.748 27 HA ALA 4 HA ALA 4 -31.544 24.461 13.306 28 1HB ALA 4 1HB ALA 4 -33.882 23.782 13.603 29 2HB ALA 4 2HB ALA 4 -32.805 22.384 13.836 30 3HB ALA 4 3HB ALA 4 -33.524 23.199 15.246 31 H MET 5 H MET 5 -30.382 26.364 14.541 32 HA MET 5 HA MET 5 -30.495 28.329 15.466 33 1HB MET 5 1HB MET 5 -32.779 28.048 13.818 34 2HB MET 5 2HB MET 5 -33.431 28.716 15.301 35 1HG MET 5 1HG MET 5 -32.812 30.591 13.896 36 2HG MET 5 2HG MET 5 -31.643 30.527 15.200 37 1HE MET 5 1HE MET 5 -30.416 31.204 11.194 38 2HE MET 5 2HE MET 5 -32.069 31.291 11.848 39 3HE MET 5 3HE MET 5 -30.746 32.170 12.652 40 H VAL 6 H VAL 6 -31.782 29.787 17.208 41 HA VAL 6 HA VAL 6 -32.111 29.932 19.406 42 HB VAL 6 HB VAL 6 -34.360 29.390 18.259 43 1HG1 VAL 6 1HG1 VAL 6 -35.445 27.337 19.310 44 2HG1 VAL 6 2HG1 VAL 6 -34.263 27.034 18.015 45 3HG1 VAL 6 3HG1 VAL 6 -33.799 26.797 19.718 46 1HG2 VAL 6 1HG2 VAL 6 -34.848 28.770 21.059 47 2HG2 VAL 6 2HG2 VAL 6 -33.627 30.053 20.877 48 3HG2 VAL 6 3HG2 VAL 6 -35.233 30.241 20.133 49 H SER 7 H SER 7 -32.896 28.183 21.437 50 HA SER 7 HA SER 7 -30.581 27.067 22.190 51 1HB SER 7 1HB SER 7 -31.824 25.889 23.886 52 2HB SER 7 2HB SER 7 -32.670 27.393 23.581 53 HG SER 7 HG SER 7 -33.743 25.679 21.855 54 H ALA 8 H ALA 8 -29.890 24.741 22.418 55 HA ALA 8 HA ALA 8 -30.402 23.354 19.920 56 1HB ALA 8 1HB ALA 8 -28.237 23.574 21.887 57 2HB ALA 8 2HB ALA 8 -28.565 21.887 21.423 58 3HB ALA 8 3HB ALA 8 -28.175 23.094 20.174 59 H GLU 9 H GLU 9 -32.702 22.907 20.579 60 HA GLU 9 HA GLU 9 -33.569 21.630 22.719 61 1HB GLU 9 1HB GLU 9 -35.411 20.927 21.442 62 2HB GLU 9 2HB GLU 9 -34.772 22.248 20.484 63 1HG GLU 9 1HG GLU 9 -33.420 20.500 19.171 64 2HG GLU 9 2HG GLU 9 -34.330 19.266 20.018 65 HE2 GLU 9 HE2 GLU 9 -36.786 19.059 18.681 66 H SER 10 H SER 10 -34.047 19.309 23.242 67 HA SER 10 HA SER 10 -32.593 17.315 21.884 68 1HB SER 10 1HB SER 10 -30.907 18.649 23.463 69 2HB SER 10 2HB SER 10 -31.641 17.681 24.726 70 HG SER 10 HG SER 10 -30.877 16.260 22.403 71 H SER 11 H SER 11 -33.928 15.553 22.057 72 HA SER 11 HA SER 11 -35.379 14.134 22.822 73 1HB SER 11 1HB SER 11 -33.722 13.939 24.726 74 2HB SER 11 2HB SER 11 -34.670 15.107 25.625 75 HG SER 11 HG SER 11 -35.783 12.646 24.586 76 H GLY 12 H GLY 12 -37.650 14.041 23.247 77 1HA GLY 12 1HA GLY 12 -39.308 15.407 24.746 78 2HA GLY 12 2HA GLY 12 -38.890 16.670 23.607 79 H CYS 13 H CYS 13 -40.059 13.244 23.770 80 HA CYS 13 HA CYS 13 -42.020 13.873 21.773 81 1HB CYS 13 1HB CYS 13 -39.748 13.101 20.635 82 2HB CYS 13 2HB CYS 13 -40.314 11.504 21.082 83 HG CYS 13 HG CYS 13 -40.864 12.487 18.518 84 H ASN 14 H ASN 14 -42.671 13.442 24.303 85 HA ASN 14 HA ASN 14 -43.050 10.579 24.611 86 1HB ASN 14 1HB ASN 14 -42.525 12.794 26.446 87 2HB ASN 14 2HB ASN 14 -44.014 11.996 26.911 88 1HD2 ASN 14 1HD2 ASN 14 -40.762 12.025 27.301 89 2HD2 ASN 14 2HD2 ASN 14 -40.464 10.402 27.828 90 H SER 15 H SER 15 -44.574 12.501 22.778 91 HA SER 15 HA SER 15 -47.144 12.586 24.104 92 1HB SER 15 1HB SER 15 -45.864 14.000 21.813 93 2HB SER 15 2HB SER 15 -47.571 13.660 21.608 94 HG SER 15 HG SER 15 -47.419 15.666 22.639 95 H HIS 16 H HIS 16 -46.522 9.983 23.790 96 HA HIS 16 HA HIS 16 -46.975 8.074 22.785 97 1HB HIS 16 1HB HIS 16 -49.242 9.045 23.445 98 2HB HIS 16 2HB HIS 16 -49.466 9.443 21.753 99 HD1 HIS 16 HD1 HIS 16 -48.115 6.731 20.653 100 HD2 HIS 16 HD2 HIS 16 -51.172 7.031 23.510 101 HE1 HIS 16 HE1 HIS 16 -49.352 4.500 20.613 102 H MET 17 H MET 17 -45.106 8.329 21.332 103 HA MET 17 HA MET 17 -45.754 9.250 18.682 104 1HB MET 17 1HB MET 17 -43.573 9.841 19.799 105 2HB MET 17 2HB MET 17 -43.168 8.139 19.912 106 1HG MET 17 1HG MET 17 -42.029 8.735 17.950 107 2HG MET 17 2HG MET 17 -43.538 8.139 17.286 108 1HE MET 17 1HE MET 17 -42.493 9.366 15.293 109 2HE MET 17 2HE MET 17 -44.241 9.651 15.111 110 3HE MET 17 3HE MET 17 -43.090 10.984 14.851 111 HA PRO 18 HA PRO 18 -46.575 5.071 17.566 112 1HB PRO 18 1HB PRO 18 -47.689 5.595 15.127 113 2HB PRO 18 2HB PRO 18 -48.606 5.599 16.620 114 1HG PRO 18 1HG PRO 18 -47.684 7.897 15.006 115 2HG PRO 18 2HG PRO 18 -48.934 7.849 16.234 116 1HD PRO 18 1HD PRO 18 -46.280 8.898 16.526 117 2HD PRO 18 2HD PRO 18 -47.490 8.743 17.784 118 H TYR 19 H TYR 19 -44.653 4.034 17.403 119 HA TYR 19 HA TYR 19 -42.965 4.824 15.181 120 1HB TYR 19 1HB TYR 19 -41.486 3.073 16.334 121 2HB TYR 19 2HB TYR 19 -42.000 4.348 17.421 122 HD1 TYR 19 HD1 TYR 19 -43.262 3.862 19.372 123 HD2 TYR 19 HD2 TYR 19 -42.720 0.843 16.390 124 HE1 TYR 19 HE1 TYR 19 -44.228 2.119 20.951 125 HE2 TYR 19 HE2 TYR 19 -43.688 -0.890 17.978 126 HH TYR 19 HH TYR 19 -44.136 -1.280 20.156 127 H GLY 20 H GLY 20 -42.365 3.473 13.441 128 1HA GLY 20 1HA GLY 20 -43.478 0.808 13.247 129 2HA GLY 20 2HA GLY 20 -44.217 1.982 12.176 130 H TYR 21 H TYR 21 -43.205 2.512 10.258 131 HA TYR 21 HA TYR 21 -41.114 0.970 9.322 132 1HB TYR 21 1HB TYR 21 -42.536 3.572 8.679 133 2HB TYR 21 2HB TYR 21 -41.041 3.283 7.811 134 HD1 TYR 21 HD1 TYR 21 -44.552 2.450 8.077 135 HD2 TYR 21 HD2 TYR 21 -40.830 1.211 6.368 136 HE1 TYR 21 HE1 TYR 21 -45.796 0.995 6.404 137 HE2 TYR 21 HE2 TYR 21 -42.087 -0.240 4.702 138 HH TYR 21 HH TYR 21 -44.034 -0.755 3.877 139 H ALA 22 H ALA 22 -41.041 3.677 11.500 140 HA ALA 22 HA ALA 22 -38.304 4.356 10.798 141 1HB ALA 22 1HB ALA 22 -40.504 5.772 11.786 142 2HB ALA 22 2HB ALA 22 -39.432 5.600 13.196 143 3HB ALA 22 3HB ALA 22 -38.824 6.354 11.703 144 H ALA 23 H ALA 23 -38.871 1.627 11.697 145 HA ALA 23 HA ALA 23 -37.932 1.594 14.444 146 1HB ALA 23 1HB ALA 23 -38.191 -0.933 14.033 147 2HB ALA 23 2HB ALA 23 -39.678 0.045 13.991 148 3HB ALA 23 3HB ALA 23 -38.921 -0.488 12.471 149 H GLN 24 H GLN 24 -36.602 1.927 11.362 150 HA GLN 24 HA GLN 24 -34.335 0.240 11.897 151 1HB GLN 24 1HB GLN 24 -35.474 1.653 9.556 152 2HB GLN 24 2HB GLN 24 -33.724 1.713 9.621 153 1HG GLN 24 1HG GLN 24 -33.775 -0.363 8.683 154 2HG GLN 24 2HG GLN 24 -34.216 -0.941 10.278 155 1HE2 GLN 24 1HE2 GLN 24 -35.035 -2.504 8.416 156 2HE2 GLN 24 2HE2 GLN 24 -36.720 -2.356 8.040 157 H ALA 25 H ALA 25 -35.358 3.207 12.986 158 HA ALA 25 HA ALA 25 -33.175 4.886 12.566 159 1HB ALA 25 1HB ALA 25 -35.399 4.668 14.590 160 2HB ALA 25 2HB ALA 25 -34.095 5.854 14.838 161 3HB ALA 25 3HB ALA 25 -35.099 5.929 13.370 162 H ARG 26 H ARG 26 -33.550 1.990 14.477 163 HA ARG 26 HA ARG 26 -31.628 2.644 16.412 164 1HB ARG 26 1HB ARG 26 -33.494 0.662 16.161 165 2HB ARG 26 2HB ARG 26 -32.074 -0.233 15.659 166 1HG ARG 26 1HG ARG 26 -31.396 1.333 18.004 167 2HG ARG 26 2HG ARG 26 -32.877 0.454 18.330 168 1HD ARG 26 1HD ARG 26 -31.857 -1.663 17.989 169 2HD ARG 26 2HD ARG 26 -30.551 -0.994 17.030 170 HE ARG 26 HE ARG 26 -30.126 0.220 19.447 171 1HH1 ARG 26 2HH2 ARG 26 -30.697 -3.170 18.591 172 2HH1 ARG 26 1HH2 ARG 26 -29.779 -3.790 19.923 173 1HH2 ARG 26 1HH ARG 26 -28.741 -2.259 21.447 174 H ALA 27 H ALA 27 -31.573 1.282 13.127 175 HA ALA 27 HA ALA 27 -28.970 0.175 13.287 176 1HB ALA 27 1HB ALA 27 -30.614 1.085 10.889 177 2HB ALA 27 2HB ALA 27 -29.202 0.001 10.845 178 3HB ALA 27 3HB ALA 27 -30.700 -0.521 11.652 179 H ARG 28 H ARG 28 -30.333 3.398 12.661 180 HA ARG 28 HA ARG 28 -28.143 4.474 11.380 181 1HB ARG 28 1HB ARG 28 -30.635 5.381 12.086 182 2HB ARG 28 2HB ARG 28 -29.669 6.237 13.271 183 1HG ARG 28 1HG ARG 28 -28.185 6.606 10.944 184 2HG ARG 28 2HG ARG 28 -29.827 6.624 10.333 185 1HD ARG 28 1HD ARG 28 -29.844 8.188 12.736 186 2HD ARG 28 2HD ARG 28 -28.425 8.683 11.835 187 HE ARG 28 HE ARG 28 -30.893 8.461 10.234 188 1HH1 ARG 28 2HH2 ARG 28 -28.785 10.602 12.110 189 2HH1 ARG 28 1HH2 ARG 28 -29.387 12.048 11.370 190 1HH2 ARG 28 1HH ARG 28 -31.093 11.886 9.695 191 H GLU 29 H GLU 29 -28.829 3.782 14.800 192 HA GLU 29 HA GLU 29 -26.702 5.435 15.730 193 1HB GLU 29 1HB GLU 29 -28.977 4.137 16.863 194 2HB GLU 29 2HB GLU 29 -27.578 3.461 17.673 195 1HG GLU 29 1HG GLU 29 -26.968 6.191 17.568 196 2HG GLU 29 2HG GLU 29 -28.700 6.193 17.832 197 HE2 GLU 29 HE2 GLU 29 -27.279 6.510 20.783 198 H ARG 30 H ARG 30 -27.142 2.139 14.594 199 HA ARG 30 HA ARG 30 -24.714 1.277 15.856 200 1HB ARG 30 1HB ARG 30 -26.990 -0.003 14.407 201 2HB ARG 30 2HB ARG 30 -25.438 -0.767 14.132 202 1HG ARG 30 1HG ARG 30 -25.880 -0.094 16.977 203 2HG ARG 30 2HG ARG 30 -27.101 -1.182 16.346 204 1HD ARG 30 1HD ARG 30 -25.506 -2.858 15.780 205 2HD ARG 30 2HD ARG 30 -24.168 -1.725 15.781 206 HE ARG 30 HE ARG 30 -23.927 -2.082 18.073 207 1HH1 ARG 30 2HH2 ARG 30 -27.223 -2.996 17.149 208 2HH1 ARG 30 1HH2 ARG 30 -27.629 -3.599 18.721 209 1HH2 ARG 30 1HH ARG 30 -25.991 -3.521 20.468 210 H GLU 31 H GLU 31 -25.940 2.457 12.749 211 HA GLU 31 HA GLU 31 -23.881 1.444 11.159 212 1HB GLU 31 1HB GLU 31 -26.176 2.409 10.456 213 2HB GLU 31 2HB GLU 31 -25.447 3.994 10.616 214 1HG GLU 31 1HG GLU 31 -24.320 3.785 8.649 215 2HG GLU 31 2HG GLU 31 -23.710 2.199 9.078 216 HE2 GLU 31 HE2 GLU 31 -26.335 0.507 7.518 217 H ARG 32 H ARG 32 -24.098 4.119 13.421 218 HA ARG 32 HA ARG 32 -22.219 5.800 12.340 219 1HB ARG 32 1HB ARG 32 -23.802 5.978 14.481 220 2HB ARG 32 2HB ARG 32 -22.401 5.369 15.338 221 1HG ARG 32 1HG ARG 32 -21.258 7.342 15.131 222 2HG ARG 32 2HG ARG 32 -21.726 7.550 13.455 223 1HD ARG 32 1HD ARG 32 -23.975 8.359 14.164 224 2HD ARG 32 2HD ARG 32 -23.553 8.102 15.845 225 HE ARG 32 HE ARG 32 -22.262 10.063 15.810 226 1HH1 ARG 32 2HH2 ARG 32 -23.024 9.116 12.482 227 2HH1 ARG 32 1HH2 ARG 32 -22.413 10.583 11.793 228 1HH2 ARG 32 1HH ARG 32 -21.496 12.264 13.234 229 H LEU 33 H LEU 33 -21.915 2.719 14.070 230 HA LEU 33 HA LEU 33 -19.070 3.112 14.484 231 1HB LEU 33 1HB LEU 33 -21.096 1.722 15.817 232 2HB LEU 33 2HB LEU 33 -20.109 0.474 15.083 233 HG LEU 33 HG LEU 33 -18.256 2.242 16.218 234 1HD1 LEU 33 1HD1 LEU 33 -19.875 1.646 18.572 235 2HD1 LEU 33 2HD1 LEU 33 -19.030 3.142 18.104 236 3HD1 LEU 33 3HD1 LEU 33 -20.659 2.804 17.471 237 1HD2 LEU 33 1HD2 LEU 33 -17.668 0.400 17.608 238 2HD2 LEU 33 2HD2 LEU 33 -19.294 -0.311 17.467 239 3HD2 LEU 33 3HD2 LEU 33 -18.217 -0.265 16.051 240 H ALA 34 H ALA 34 -21.227 2.042 12.041 241 HA ALA 34 HA ALA 34 -19.451 0.046 10.965 242 1HB ALA 34 1HB ALA 34 -21.151 -0.167 9.245 243 2HB ALA 34 2HB ALA 34 -21.958 -0.059 10.827 244 3HB ALA 34 3HB ALA 34 -21.915 1.359 9.752 245 H HIS 35 H HIS 35 -19.103 3.276 11.301 246 HA HIS 35 HA HIS 35 -18.339 3.821 8.562 247 1HB HIS 35 1HB HIS 35 -19.567 5.396 10.287 248 2HB HIS 35 2HB HIS 35 -17.938 5.734 10.838 249 HD1 HIS 35 HD1 HIS 35 -16.909 7.708 9.723 250 HD2 HIS 35 HD2 HIS 35 -19.670 5.767 7.233 251 HE1 HIS 35 HE1 HIS 35 -17.003 9.066 7.565 252 H SER 36 H SER 36 -17.007 2.436 11.386 253 HA SER 36 HA SER 36 -14.361 3.429 10.852 254 1HB SER 36 1HB SER 36 -15.490 2.888 13.189 255 2HB SER 36 2HB SER 36 -15.001 1.241 12.841 256 HG SER 36 HG SER 36 -12.934 1.737 13.197 257 H ARG 37 H ARG 37 -16.454 0.783 9.992 258 HA ARG 37 HA ARG 37 -14.252 -0.969 9.431 259 1HB ARG 37 1HB ARG 37 -16.874 -1.427 10.160 260 2HB ARG 37 2HB ARG 37 -16.989 -1.646 8.425 261 1HG ARG 37 1HG ARG 37 -15.259 -3.367 8.446 262 2HG ARG 37 2HG ARG 37 -14.863 -3.031 10.119 263 1HD ARG 37 1HD ARG 37 -17.731 -3.662 9.728 264 2HD ARG 37 2HD ARG 37 -16.675 -4.969 9.231 265 HE ARG 37 HE ARG 37 -15.632 -4.188 11.686 266 1HH1 ARG 37 2HH2 ARG 37 -18.836 -5.224 10.583 267 2HH1 ARG 37 1HH2 ARG 37 -19.278 -5.907 12.112 268 1HH2 ARG 37 1HH ARG 37 -17.722 -5.817 13.933 269 H ALA 38 H ALA 38 -15.071 1.761 8.010 270 HA ALA 38 HA ALA 38 -15.499 0.809 5.305 271 1HB ALA 38 1HB ALA 38 -15.931 3.082 4.788 272 2HB ALA 38 2HB ALA 38 -16.614 2.855 6.417 273 3HB ALA 38 3HB ALA 38 -15.041 3.664 6.216 274 H ALA 39 H ALA 39 -13.085 2.869 7.088 275 HA ALA 39 HA ALA 39 -11.204 2.481 4.925 276 1HB ALA 39 1HB ALA 39 -10.030 3.796 7.167 277 2HB ALA 39 2HB ALA 39 -10.576 4.517 5.634 278 3HB ALA 39 3HB ALA 39 -11.696 4.405 7.014 279 H ALA 40 H ALA 40 -11.519 0.001 5.495 280 HA ALA 40 HA ALA 40 -10.050 -0.845 7.813 281 1HB ALA 40 1HB ALA 40 -10.892 -2.606 5.505 282 2HB ALA 40 2HB ALA 40 -10.799 -2.993 7.240 283 3HB ALA 40 3HB ALA 40 -12.104 -1.948 6.630 284 H ALA 41 H ALA 41 -9.650 -1.297 4.222 285 HA ALA 41 HA ALA 41 -7.152 -0.424 3.893 286 1HB ALA 41 1HB ALA 41 -5.996 -1.643 5.464 287 2HB ALA 41 2HB ALA 41 -7.148 -2.999 5.420 288 3HB ALA 41 3HB ALA 41 -5.941 -2.814 4.125 289 H ALA 42 H ALA 42 -9.165 -0.449 2.215 290 HA ALA 42 HA ALA 42 -9.027 -2.828 0.549 291 1HB ALA 42 1HB ALA 42 -11.229 -1.920 1.035 292 2HB ALA 42 2HB ALA 42 -10.732 -0.308 0.469 293 3HB ALA 42 3HB ALA 42 -10.868 -1.654 -0.687 294 H ALA 43 H ALA 43 -8.733 0.778 0.134 295 HA ALA 43 HA ALA 43 -7.740 0.791 -2.401 296 1HB ALA 43 1HB ALA 43 -8.396 2.778 -1.078 297 2HB ALA 43 2HB ALA 43 -6.943 2.580 -0.068 298 3HB ALA 43 3HB ALA 43 -6.779 2.977 -1.796 299 H VAL 44 H VAL 44 -6.226 -0.370 0.549 300 HA VAL 44 HA VAL 44 -3.606 -0.377 -0.734 301 HB VAL 44 HB VAL 44 -4.654 -0.336 1.992 302 1HG1 VAL 44 1HG1 VAL 44 -2.592 -1.601 2.868 303 2HG1 VAL 44 2HG1 VAL 44 -3.957 -2.568 2.258 304 3HG1 VAL 44 3HG1 VAL 44 -2.511 -2.333 1.247 305 1HG2 VAL 44 1HG2 VAL 44 -2.200 0.501 2.315 306 2HG2 VAL 44 2HG2 VAL 44 -2.161 0.516 0.535 307 3HG2 VAL 44 3HG2 VAL 44 -3.359 1.502 1.408 308 H ALA 45 H ALA 45 -6.320 -2.456 0.235 309 HA ALA 45 HA ALA 45 -5.267 -4.915 0.373 310 1HB ALA 45 1HB ALA 45 -7.392 -5.714 -0.580 311 2HB ALA 45 2HB ALA 45 -7.672 -4.345 0.522 312 3HB ALA 45 3HB ALA 45 -7.717 -4.093 -1.240 313 H ALA 46 H ALA 46 -6.180 -3.282 -2.749 314 HA ALA 46 HA ALA 46 -5.147 -5.262 -4.396 315 1HB ALA 46 1HB ALA 46 -6.250 -3.891 -5.795 316 2HB ALA 46 2HB ALA 46 -6.232 -2.576 -4.596 317 3HB ALA 46 3HB ALA 46 -4.863 -2.778 -5.715 318 H ALA 47 H ALA 47 -3.644 -2.124 -3.331 319 HA ALA 47 HA ALA 47 -1.180 -2.608 -4.536 320 1HB ALA 47 1HB ALA 47 -2.295 -0.476 -3.428 321 2HB ALA 47 2HB ALA 47 -1.430 -1.040 -1.978 322 3HB ALA 47 3HB ALA 47 -0.524 -0.655 -3.462 323 H THR 48 H THR 48 0.842 -2.445 -2.701 324 HA THR 48 HA THR 48 2.147 -3.698 -1.409 325 HB THR 48 HB THR 48 -0.585 -4.159 -0.133 326 HG1 THR 48 HG1 THR 48 0.242 -2.459 1.108 327 1HG2 THR 48 1HG2 THR 48 1.390 -5.983 0.299 328 2HG2 THR 48 2HG2 THR 48 1.964 -4.688 1.377 329 3HG2 THR 48 3HG2 THR 48 0.346 -5.391 1.614 330 H ALA 49 H ALA 49 3.128 -5.738 -1.284 331 HA ALA 49 HA ALA 49 2.691 -7.422 -3.387 332 1HB ALA 49 1HB ALA 49 4.158 -7.479 -0.810 333 2HB ALA 49 2HB ALA 49 3.814 -9.077 -1.515 334 3HB ALA 49 3HB ALA 49 4.718 -7.866 -2.455 335 H ALA 50 H ALA 50 2.202 -9.941 -2.999 336 HA ALA 50 HA ALA 50 -0.548 -9.984 -2.118 337 1HB ALA 50 1HB ALA 50 0.021 -11.012 -4.244 338 2HB ALA 50 2HB ALA 50 1.262 -12.024 -3.469 339 3HB ALA 50 3HB ALA 50 -0.459 -12.292 -3.104 340 H VAL 51 H VAL 51 0.925 -9.414 0.096 341 HA VAL 51 HA VAL 51 1.604 -10.120 2.093 342 HB VAL 51 HB VAL 51 -0.812 -10.430 2.193 343 1HG1 VAL 51 1HG1 VAL 51 -0.177 -13.211 1.178 344 2HG1 VAL 51 2HG1 VAL 51 -1.701 -12.811 2.006 345 3HG1 VAL 51 3HG1 VAL 51 -1.280 -12.001 0.479 346 1HG2 VAL 51 1HG2 VAL 51 0.547 -12.706 3.666 347 2HG2 VAL 51 2HG2 VAL 51 0.702 -10.995 4.135 348 3HG2 VAL 51 3HG2 VAL 51 -0.893 -11.785 4.161 349 H GLU 52 H GLU 52 3.454 -10.945 0.328 350 HA GLU 52 HA GLU 52 3.831 -13.612 -0.034 351 1HB GLU 52 1HB GLU 52 5.183 -11.597 -0.925 352 2HB GLU 52 2HB GLU 52 6.094 -11.671 0.571 353 1HG GLU 52 1HG GLU 52 7.377 -13.324 -0.294 354 2HG GLU 52 2HG GLU 52 5.964 -14.353 -0.423 355 HE2 GLU 52 HE2 GLU 52 4.890 -13.440 -3.295 356 H GLY 53 H GLY 53 5.080 -15.254 1.090 357 1HA GLY 53 1HA GLY 53 5.237 -14.755 4.001 358 2HA GLY 53 2HA GLY 53 4.839 -16.291 3.259 359 H THR 54 H THR 54 6.593 -17.131 1.605 360 HA THR 54 HA THR 54 9.178 -16.832 2.960 361 HB THR 54 HB THR 54 8.080 -19.104 2.811 362 HG1 THR 54 HG1 THR 54 10.486 -18.600 2.678 363 1HG2 THR 54 1HG2 THR 54 8.659 -18.780 -0.180 364 2HG2 THR 54 2HG2 THR 54 8.050 -20.246 0.625 365 3HG2 THR 54 3HG2 THR 54 7.024 -18.796 0.524 366 H GLY 55 H GLY 55 10.887 -15.874 2.032 367 1HA GLY 55 1HA GLY 55 10.588 -15.134 -0.816 368 2HA GLY 55 2HA GLY 55 11.394 -14.161 0.399 369 H GLY 56 H GLY 56 12.832 -14.717 -1.861 370 1HA GLY 56 1HA GLY 56 15.230 -15.338 -1.511 371 2HA GLY 56 2HA GLY 56 14.634 -16.926 -1.069 372 H SER 57 H SER 57 15.538 -14.817 -3.671 373 HA SER 57 HA SER 57 14.491 -16.779 -5.561 374 1HB SER 57 1HB SER 57 14.407 -15.015 -7.238 375 2HB SER 57 2HB SER 57 13.542 -14.476 -5.813 376 HG SER 57 HG SER 57 14.945 -12.876 -5.539 377 H GLY 58 H GLY 58 16.215 -18.195 -5.849 378 1HA GLY 58 1HA GLY 58 18.592 -17.137 -7.116 379 2HA GLY 58 2HA GLY 58 18.862 -17.827 -5.528 380 H GLY 59 H GLY 59 20.232 -19.389 -6.834 381 1HA GLY 59 1HA GLY 59 19.281 -21.900 -6.915 382 2HA GLY 59 2HA GLY 59 18.798 -21.290 -8.485 383 H GLY 60 H GLY 60 20.685 -23.424 -8.118 384 1HA GLY 60 1HA GLY 60 22.787 -24.075 -8.628 385 2HA GLY 60 2HA GLY 60 22.644 -22.884 -9.905 386 HA PRO 61 HA PRO 61 25.032 -21.006 -6.233 387 1HB PRO 61 1HB PRO 61 26.201 -22.749 -4.483 388 2HB PRO 61 2HB PRO 61 24.675 -21.949 -4.163 389 1HG PRO 61 1HG PRO 61 25.169 -24.759 -4.939 390 2HG PRO 61 2HG PRO 61 23.737 -24.056 -4.213 391 1HD PRO 61 1HD PRO 61 24.079 -24.797 -6.963 392 2HD PRO 61 2HD PRO 61 22.692 -23.988 -6.261 393 H HIS 62 H HIS 62 27.145 -20.251 -6.328 394 HA HIS 62 HA HIS 62 29.040 -20.046 -7.447 395 1HB HIS 62 1HB HIS 62 29.607 -21.548 -5.536 396 2HB HIS 62 2HB HIS 62 29.419 -22.930 -6.597 397 HD1 HIS 62 HD1 HIS 62 32.135 -22.209 -5.188 398 HD2 HIS 62 HD2 HIS 62 31.109 -21.170 -9.120 399 HE1 HIS 62 HE1 HIS 62 34.335 -21.842 -6.427 400 H HIS 63 H HIS 63 27.567 -19.933 -9.452 401 HA HIS 63 HA HIS 63 27.006 -21.913 -11.143 402 1HB HIS 63 1HB HIS 63 26.718 -19.344 -11.337 403 2HB HIS 63 2HB HIS 63 28.258 -19.370 -12.172 404 HD1 HIS 63 HD1 HIS 63 24.669 -20.505 -12.529 405 HD2 HIS 63 HD2 HIS 63 28.202 -20.396 -14.789 406 HE1 HIS 63 HE1 HIS 63 24.003 -21.077 -14.925 407 H HIS 64 H HIS 64 28.029 -23.252 -12.642 408 HA HIS 64 HA HIS 64 30.955 -23.137 -12.535 409 1HB HIS 64 1HB HIS 64 29.477 -25.156 -11.602 410 2HB HIS 64 2HB HIS 64 29.512 -25.644 -13.284 411 HD1 HIS 64 HD1 HIS 64 32.232 -24.282 -10.927 412 HD2 HIS 64 HD2 HIS 64 31.525 -27.445 -13.590 413 HE1 HIS 64 HE1 HIS 64 34.367 -25.679 -10.960 414 H HIS 65 H HIS 65 32.003 -24.137 -14.581 415 HA HIS 65 HA HIS 65 30.881 -24.535 -16.945 416 1HB HIS 65 1HB HIS 65 30.501 -21.720 -16.212 417 2HB HIS 65 2HB HIS 65 31.299 -21.920 -17.759 418 HD1 HIS 65 HD1 HIS 65 28.030 -21.552 -16.442 419 HD2 HIS 65 HD2 HIS 65 29.706 -24.044 -19.371 420 HE1 HIS 65 HE1 HIS 65 26.091 -22.353 -17.895 421 H GLN 66 H GLN 66 32.789 -25.723 -17.174 422 HA GLN 66 HA GLN 66 34.924 -24.328 -18.311 423 1HB GLN 66 1HB GLN 66 35.112 -24.160 -15.604 424 2HB GLN 66 2HB GLN 66 35.908 -25.704 -15.837 425 1HG GLN 66 1HG GLN 66 37.791 -24.561 -16.381 426 2HG GLN 66 2HG GLN 66 36.996 -24.080 -17.867 427 1HE2 GLN 66 1HE2 GLN 66 38.006 -22.108 -17.943 428 2HE2 GLN 66 2HE2 GLN 66 37.624 -20.787 -16.891 429 H THR 67 H THR 67 36.998 -26.145 -18.162 430 HA THR 67 HA THR 67 36.033 -28.838 -18.292 431 HB THR 67 HB THR 67 36.704 -27.288 -20.846 432 HG1 THR 67 HG1 THR 67 34.471 -28.788 -19.682 433 1HG2 THR 67 1HG2 THR 67 36.297 -30.276 -20.326 434 2HG2 THR 67 2HG2 THR 67 36.123 -29.534 -21.935 435 3HG2 THR 67 3HG2 THR 67 37.699 -29.505 -21.107 436 H ARG 68 H ARG 68 37.881 -30.310 -19.182 437 HA ARG 68 HA ARG 68 40.039 -29.834 -17.546 438 1HB ARG 68 1HB ARG 68 39.519 -31.723 -19.866 439 2HB ARG 68 2HB ARG 68 41.111 -31.681 -19.134 440 1HG ARG 68 1HG ARG 68 38.858 -31.822 -17.186 441 2HG ARG 68 2HG ARG 68 39.008 -33.225 -18.225 442 1HD ARG 68 1HD ARG 68 40.680 -33.971 -16.880 443 2HD ARG 68 2HD ARG 68 41.668 -32.636 -17.439 444 HE ARG 68 HE ARG 68 40.191 -32.783 -14.889 445 1HH1 ARG 68 2HH2 ARG 68 41.940 -30.704 -17.164 446 2HH1 ARG 68 1HH2 ARG 68 42.262 -29.476 -15.986 447 1HH2 ARG 68 1HH ARG 68 41.474 -29.766 -13.742 448 H GLY 69 H GLY 69 42.022 -28.793 -17.850 449 1HA GLY 69 1HA GLY 69 42.496 -27.655 -20.540 450 2HA GLY 69 2HA GLY 69 42.891 -26.857 -19.031 451 H ALA 70 H ALA 70 44.328 -28.349 -17.471 452 HA ALA 70 HA ALA 70 46.346 -29.192 -17.129 453 1HB ALA 70 1HB ALA 70 45.666 -30.839 -19.600 454 2HB ALA 70 2HB ALA 70 46.936 -31.222 -18.413 455 3HB ALA 70 3HB ALA 70 45.225 -31.239 -17.923 456 H TYR 71 H TYR 71 48.631 -29.577 -18.200 457 HA TYR 71 HA TYR 71 49.069 -27.253 -19.907 458 1HB TYR 71 1HB TYR 71 50.797 -29.190 -18.249 459 2HB TYR 71 2HB TYR 71 51.500 -27.898 -19.201 460 HD1 TYR 71 HD1 TYR 71 50.017 -28.790 -16.056 461 HD2 TYR 71 HD2 TYR 71 50.824 -25.479 -18.643 462 HE1 TYR 71 HE1 TYR 71 49.726 -27.186 -14.105 463 HE2 TYR 71 HE2 TYR 71 50.530 -23.886 -16.683 464 HH TYR 71 HH TYR 71 49.850 -25.139 -13.428 465 H SER 72 H SER 72 50.970 -27.533 -21.538 466 HA SER 72 HA SER 72 50.157 -29.207 -23.505 467 1HB SER 72 1HB SER 72 52.463 -28.840 -24.485 468 2HB SER 72 2HB SER 72 51.639 -27.372 -23.997 469 HG SER 72 HG SER 72 53.151 -26.982 -22.522 470 H SER 73 H SER 73 53.021 -29.681 -21.301 471 HA SER 73 HA SER 73 54.018 -31.464 -20.570 472 1HB SER 73 1HB SER 73 51.305 -32.168 -20.498 473 2HB SER 73 2HB SER 73 52.051 -33.533 -21.305 474 HG SER 73 HG SER 73 52.161 -32.802 -18.644 475 H HIS 74 H HIS 74 55.754 -31.673 -22.001 476 HA HIS 74 HA HIS 74 55.281 -33.499 -24.240 477 1HB HIS 74 1HB HIS 74 57.003 -32.184 -25.504 478 2HB HIS 74 2HB HIS 74 55.469 -31.373 -25.257 479 HD1 HIS 74 HD1 HIS 74 59.101 -31.220 -24.283 480 HD2 HIS 74 HD2 HIS 74 55.556 -29.093 -23.573 481 HE1 HIS 74 HE1 HIS 74 59.794 -29.020 -23.192 482 H ASP 75 H ASP 75 57.401 -34.556 -24.990 483 HA ASP 75 HA ASP 75 59.564 -34.537 -23.213 484 1HB ASP 75 1HB ASP 75 59.328 -36.948 -22.468 485 2HB ASP 75 2HB ASP 75 58.179 -35.850 -21.730 486 HD2 ASP 75 HD2 ASP 75 58.563 -38.570 -23.516 Start of MODEL 24 1 H MET 1 H MET 1 -22.739 -14.986 39.099 2 HA MET 1 HA MET 1 -24.866 -16.877 38.447 3 1HB MET 1 1HB MET 1 -25.007 -14.413 39.798 4 2HB MET 1 2HB MET 1 -25.449 -13.972 38.161 5 1HG MET 1 1HG MET 1 -27.462 -15.064 38.278 6 2HG MET 1 2HG MET 1 -26.766 -16.465 39.066 7 1HE MET 1 1HE MET 1 -29.131 -14.260 39.066 8 2HE MET 1 2HE MET 1 -29.764 -14.284 40.729 9 3HE MET 1 3HE MET 1 -28.785 -12.907 40.169 10 H GLU 2 H GLU 2 -24.637 -17.568 36.360 11 HA GLU 2 HA GLU 2 -23.056 -16.465 34.485 12 1HB GLU 2 1HB GLU 2 -24.490 -18.688 34.543 13 2HB GLU 2 2HB GLU 2 -25.673 -17.742 33.662 14 1HG GLU 2 1HG GLU 2 -22.956 -17.389 32.573 15 2HG GLU 2 2HG GLU 2 -23.448 -19.071 32.563 16 HE2 GLU 2 HE2 GLU 2 -24.380 -16.665 29.888 17 H VAL 3 H VAL 3 -23.384 -15.097 32.604 18 HA VAL 3 HA VAL 3 -25.176 -12.929 33.171 19 HB VAL 3 HB VAL 3 -23.530 -13.263 30.680 20 1HG1 VAL 3 1HG1 VAL 3 -23.488 -10.924 30.615 21 2HG1 VAL 3 2HG1 VAL 3 -25.137 -11.294 31.172 22 3HG1 VAL 3 3HG1 VAL 3 -23.901 -10.770 32.340 23 1HG2 VAL 3 1HG2 VAL 3 -21.712 -13.636 31.951 24 2HG2 VAL 3 2HG2 VAL 3 -21.857 -11.921 32.404 25 3HG2 VAL 3 3HG2 VAL 3 -22.550 -13.181 33.453 26 H ALA 4 H ALA 4 -26.877 -12.172 31.766 27 HA ALA 4 HA ALA 4 -28.578 -14.164 30.883 28 1HB ALA 4 1HB ALA 4 -28.852 -11.546 29.543 29 2HB ALA 4 2HB ALA 4 -29.991 -12.415 30.601 30 3HB ALA 4 3HB ALA 4 -28.682 -11.440 31.312 31 H MET 5 H MET 5 -28.532 -15.482 29.136 32 HA MET 5 HA MET 5 -26.552 -14.999 27.148 33 1HB MET 5 1HB MET 5 -28.625 -17.154 27.732 34 2HB MET 5 2HB MET 5 -27.788 -17.165 26.192 35 1HG MET 5 1HG MET 5 -25.671 -17.557 27.189 36 2HG MET 5 2HG MET 5 -26.172 -16.928 28.746 37 1HE MET 5 1HE MET 5 -25.069 -20.526 27.850 38 2HE MET 5 2HE MET 5 -26.508 -20.943 26.890 39 3HE MET 5 3HE MET 5 -25.567 -19.485 26.496 40 H VAL 6 H VAL 6 -26.842 -14.344 25.005 41 HA VAL 6 HA VAL 6 -29.424 -13.156 24.442 42 HB VAL 6 HB VAL 6 -27.062 -12.127 24.135 43 1HG1 VAL 6 1HG1 VAL 6 -25.830 -12.612 22.241 44 2HG1 VAL 6 2HG1 VAL 6 -26.443 -14.226 22.674 45 3HG1 VAL 6 3HG1 VAL 6 -27.226 -13.296 21.373 46 1HG2 VAL 6 1HG2 VAL 6 -28.116 -10.524 22.964 47 2HG2 VAL 6 2HG2 VAL 6 -28.520 -11.631 21.631 48 3HG2 VAL 6 3HG2 VAL 6 -29.548 -11.575 23.084 49 H SER 7 H SER 7 -29.512 -13.331 21.644 50 HA SER 7 HA SER 7 -29.602 -16.204 21.195 51 1HB SER 7 1HB SER 7 -31.799 -15.979 20.096 52 2HB SER 7 2HB SER 7 -31.886 -15.461 21.768 53 HG SER 7 HG SER 7 -32.370 -13.459 21.155 54 H ALA 8 H ALA 8 -29.766 -16.727 18.775 55 HA ALA 8 HA ALA 8 -27.955 -14.979 17.370 56 1HB ALA 8 1HB ALA 8 -28.925 -17.128 15.745 57 2HB ALA 8 2HB ALA 8 -27.331 -16.959 16.517 58 3HB ALA 8 3HB ALA 8 -28.660 -17.762 17.386 59 H GLU 9 H GLU 9 -29.364 -13.081 17.212 60 HA GLU 9 HA GLU 9 -31.872 -13.095 16.173 61 1HB GLU 9 1HB GLU 9 -30.200 -11.173 17.071 62 2HB GLU 9 2HB GLU 9 -30.033 -10.866 15.354 63 1HG GLU 9 1HG GLU 9 -32.418 -10.501 15.091 64 2HG GLU 9 2HG GLU 9 -32.759 -11.123 16.694 65 HE2 GLU 9 HE2 GLU 9 -32.888 -8.447 15.263 66 H SER 10 H SER 10 -32.512 -12.086 13.929 67 HA SER 10 HA SER 10 -31.182 -13.729 11.970 68 1HB SER 10 1HB SER 10 -33.876 -12.791 12.415 69 2HB SER 10 2HB SER 10 -33.360 -12.229 10.837 70 HG SER 10 HG SER 10 -33.920 -14.827 11.715 71 H SER 11 H SER 11 -30.573 -12.812 9.820 72 HA SER 11 HA SER 11 -28.856 -10.810 9.914 73 1HB SER 11 1HB SER 11 -30.680 -11.700 7.659 74 2HB SER 11 2HB SER 11 -29.504 -10.428 7.399 75 HG SER 11 HG SER 11 -29.119 -13.156 7.546 76 H GLY 12 H GLY 12 -28.905 -8.514 9.052 77 1HA GLY 12 1HA GLY 12 -31.380 -7.186 9.945 78 2HA GLY 12 2HA GLY 12 -29.773 -6.487 9.921 79 H CYS 13 H CYS 13 -32.014 -8.137 7.567 80 HA CYS 13 HA CYS 13 -32.322 -5.888 5.973 81 1HB CYS 13 1HB CYS 13 -29.795 -6.552 5.597 82 2HB CYS 13 2HB CYS 13 -30.474 -7.782 4.549 83 HG CYS 13 HG CYS 13 -30.822 -4.497 4.495 84 H ASN 14 H ASN 14 -34.344 -7.223 6.717 85 HA ASN 14 HA ASN 14 -34.724 -9.537 5.021 86 1HB ASN 14 1HB ASN 14 -35.708 -8.662 7.638 87 2HB ASN 14 2HB ASN 14 -37.064 -9.031 6.591 88 1HD2 ASN 14 1HD2 ASN 14 -35.487 -10.327 8.936 89 2HD2 ASN 14 2HD2 ASN 14 -35.342 -11.991 8.479 90 H SER 15 H SER 15 -34.675 -6.614 4.112 91 HA SER 15 HA SER 15 -35.732 -5.318 2.729 92 1HB SER 15 1HB SER 15 -36.784 -7.941 2.136 93 2HB SER 15 2HB SER 15 -38.086 -6.782 1.959 94 HG SER 15 HG SER 15 -36.214 -7.287 0.176 95 H HIS 16 H HIS 16 -36.463 -3.641 4.051 96 HA HIS 16 HA HIS 16 -39.126 -4.032 5.211 97 1HB HIS 16 1HB HIS 16 -36.714 -2.522 6.204 98 2HB HIS 16 2HB HIS 16 -38.326 -2.098 6.747 99 HD1 HIS 16 HD1 HIS 16 -35.564 -4.069 7.775 100 HD2 HIS 16 HD2 HIS 16 -39.710 -4.701 7.716 101 HE1 HIS 16 HE1 HIS 16 -36.026 -5.938 9.450 102 H MET 17 H MET 17 -39.446 -3.477 2.695 103 HA MET 17 HA MET 17 -39.030 -0.831 1.933 104 1HB MET 17 1HB MET 17 -40.065 -3.256 0.828 105 2HB MET 17 2HB MET 17 -41.371 -2.098 0.674 106 1HG MET 17 1HG MET 17 -39.100 -0.628 -0.109 107 2HG MET 17 2HG MET 17 -38.806 -2.221 -0.778 108 1HE MET 17 1HE MET 17 -41.670 0.951 -2.038 109 2HE MET 17 2HE MET 17 -40.427 0.931 -0.764 110 3HE MET 17 3HE MET 17 -39.947 0.870 -2.477 111 HA PRO 18 HA PRO 18 -43.538 -0.228 3.289 112 1HB PRO 18 1HB PRO 18 -44.791 -2.159 4.763 113 2HB PRO 18 2HB PRO 18 -44.960 -2.020 3.024 114 1HG PRO 18 1HG PRO 18 -43.390 -3.981 4.582 115 2HG PRO 18 2HG PRO 18 -43.913 -4.072 2.912 116 1HD PRO 18 1HD PRO 18 -41.276 -3.449 3.853 117 2HD PRO 18 2HD PRO 18 -41.828 -3.427 2.189 118 H TYR 19 H TYR 19 -44.867 0.095 5.480 119 HA TYR 19 HA TYR 19 -43.353 1.583 7.107 120 1HB TYR 19 1HB TYR 19 -45.515 -0.434 7.974 121 2HB TYR 19 2HB TYR 19 -45.159 1.080 8.782 122 HD1 TYR 19 HD1 TYR 19 -47.114 -0.529 6.241 123 HD2 TYR 19 HD2 TYR 19 -45.584 3.267 7.489 124 HE1 TYR 19 HE1 TYR 19 -48.856 0.650 4.814 125 HE2 TYR 19 HE2 TYR 19 -47.332 4.433 6.057 126 HH TYR 19 HH TYR 19 -49.913 3.389 5.161 127 H GLY 20 H GLY 20 -42.138 1.360 9.033 128 1HA GLY 20 1HA GLY 20 -41.599 -0.326 10.822 129 2HA GLY 20 2HA GLY 20 -41.152 -1.387 9.502 130 H TYR 21 H TYR 21 -40.409 1.613 8.303 131 HA TYR 21 HA TYR 21 -37.621 1.223 8.701 132 1HB TYR 21 1HB TYR 21 -39.303 2.404 6.854 133 2HB TYR 21 2HB TYR 21 -38.876 3.828 7.782 134 HD1 TYR 21 HD1 TYR 21 -37.766 1.422 5.307 135 HD2 TYR 21 HD2 TYR 21 -36.459 4.528 7.944 136 HE1 TYR 21 HE1 TYR 21 -35.604 1.643 3.987 137 HE2 TYR 21 HE2 TYR 21 -34.302 4.739 6.615 138 HH TYR 21 HH TYR 21 -33.605 2.522 3.946 139 H ALA 22 H ALA 22 -40.163 3.143 10.265 140 HA ALA 22 HA ALA 22 -38.556 5.109 11.409 141 1HB ALA 22 1HB ALA 22 -41.171 3.807 12.251 142 2HB ALA 22 2HB ALA 22 -40.469 5.218 13.079 143 3HB ALA 22 3HB ALA 22 -40.948 5.337 11.368 144 H ALA 23 H ALA 23 -39.299 1.728 12.352 145 HA ALA 23 HA ALA 23 -38.024 1.977 14.895 146 1HB ALA 23 1HB ALA 23 -38.451 -0.662 13.532 147 2HB ALA 23 2HB ALA 23 -38.755 -0.189 15.220 148 3HB ALA 23 3HB ALA 23 -39.882 0.314 13.938 149 H GLN 24 H GLN 24 -36.863 2.028 11.737 150 HA GLN 24 HA GLN 24 -34.586 0.369 12.213 151 1HB GLN 24 1HB GLN 24 -35.902 1.070 9.945 152 2HB GLN 24 2HB GLN 24 -34.649 2.294 9.915 153 1HG GLN 24 1HG GLN 24 -33.426 0.653 8.874 154 2HG GLN 24 2HG GLN 24 -33.115 0.117 10.513 155 1HE2 GLN 24 1HE2 GLN 24 -35.683 -0.109 8.051 156 2HE2 GLN 24 2HE2 GLN 24 -36.018 -1.798 8.238 157 H ALA 25 H ALA 25 -35.499 3.349 13.361 158 HA ALA 25 HA ALA 25 -33.294 4.980 12.866 159 1HB ALA 25 1HB ALA 25 -35.147 6.078 13.744 160 2HB ALA 25 2HB ALA 25 -35.461 4.808 14.950 161 3HB ALA 25 3HB ALA 25 -34.112 5.945 15.186 162 H ARG 26 H ARG 26 -33.671 2.086 14.779 163 HA ARG 26 HA ARG 26 -31.666 2.684 16.647 164 1HB ARG 26 1HB ARG 26 -33.586 0.721 16.400 165 2HB ARG 26 2HB ARG 26 -32.159 -0.184 15.936 166 1HG ARG 26 1HG ARG 26 -31.104 0.968 18.108 167 2HG ARG 26 2HG ARG 26 -32.783 1.150 18.576 168 1HD ARG 26 1HD ARG 26 -32.876 -1.452 17.824 169 2HD ARG 26 2HD ARG 26 -31.171 -1.369 18.223 170 HE ARG 26 HE ARG 26 -32.891 -0.182 20.277 171 1HH1 ARG 26 2HH2 ARG 26 -31.427 -3.196 19.123 172 2HH1 ARG 26 1HH2 ARG 26 -31.515 -3.975 20.668 173 1HH2 ARG 26 1HH ARG 26 -32.448 -2.788 22.530 174 H ALA 27 H ALA 27 -31.761 1.336 13.356 175 HA ALA 27 HA ALA 27 -29.182 0.166 13.420 176 1HB ALA 27 1HB ALA 27 -29.643 -0.402 11.231 177 2HB ALA 27 2HB ALA 27 -31.299 -0.094 11.807 178 3HB ALA 27 3HB ALA 27 -30.433 1.153 10.878 179 H ARG 28 H ARG 28 -30.487 3.425 12.855 180 HA ARG 28 HA ARG 28 -28.318 4.453 11.503 181 1HB ARG 28 1HB ARG 28 -30.754 5.421 12.260 182 2HB ARG 28 2HB ARG 28 -29.762 6.219 13.465 183 1HG ARG 28 1HG ARG 28 -28.275 6.633 11.155 184 2HG ARG 28 2HG ARG 28 -29.913 6.684 10.534 185 1HD ARG 28 1HD ARG 28 -30.404 8.297 12.552 186 2HD ARG 28 2HD ARG 28 -28.662 8.450 12.671 187 HE ARG 28 HE ARG 28 -29.042 8.930 10.013 188 1HH1 ARG 28 2HH2 ARG 28 -30.705 10.221 12.863 189 2HH1 ARG 28 1HH2 ARG 28 -31.091 11.731 12.107 190 1HH2 ARG 28 1HH ARG 28 -30.403 12.122 9.845 191 H GLU 29 H GLU 29 -28.900 3.762 14.941 192 HA GLU 29 HA GLU 29 -26.701 5.358 15.803 193 1HB GLU 29 1HB GLU 29 -28.971 4.150 17.011 194 2HB GLU 29 2HB GLU 29 -27.584 3.373 17.749 195 1HG GLU 29 1HG GLU 29 -26.635 5.832 17.971 196 2HG GLU 29 2HG GLU 29 -28.299 6.321 17.721 197 HE2 GLU 29 HE2 GLU 29 -29.378 3.972 19.740 198 H ARG 30 H ARG 30 -27.261 2.079 14.669 199 HA ARG 30 HA ARG 30 -24.811 1.152 15.841 200 1HB ARG 30 1HB ARG 30 -27.168 -0.065 14.468 201 2HB ARG 30 2HB ARG 30 -25.645 -0.865 14.134 202 1HG ARG 30 1HG ARG 30 -26.296 -0.160 17.000 203 2HG ARG 30 2HG ARG 30 -27.120 -1.524 16.272 204 1HD ARG 30 1HD ARG 30 -25.287 -2.809 16.646 205 2HD ARG 30 2HD ARG 30 -24.370 -1.800 15.545 206 HE ARG 30 HE ARG 30 -23.448 -0.625 17.382 207 1HH1 ARG 30 2HH2 ARG 30 -26.014 -2.805 18.488 208 2HH1 ARG 30 1HH2 ARG 30 -25.608 -2.634 20.163 209 1HH2 ARG 30 1HH ARG 30 -23.782 -1.214 20.789 210 H GLU 31 H GLU 31 -26.117 2.377 12.784 211 HA GLU 31 HA GLU 31 -24.090 1.333 11.148 212 1HB GLU 31 1HB GLU 31 -26.465 2.321 10.562 213 2HB GLU 31 2HB GLU 31 -25.631 3.860 10.506 214 1HG GLU 31 1HG GLU 31 -24.088 3.037 8.786 215 2HG GLU 31 2HG GLU 31 -24.713 1.407 8.938 216 HE2 GLU 31 HE2 GLU 31 -27.487 1.601 8.305 217 H ARG 32 H ARG 32 -24.324 4.060 13.348 218 HA ARG 32 HA ARG 32 -22.508 5.755 12.183 219 1HB ARG 32 1HB ARG 32 -23.955 5.593 14.618 220 2HB ARG 32 2HB ARG 32 -22.278 5.699 15.116 221 1HG ARG 32 1HG ARG 32 -22.230 7.635 13.231 222 2HG ARG 32 2HG ARG 32 -23.942 7.700 13.599 223 1HD ARG 32 1HD ARG 32 -22.946 9.261 15.109 224 2HD ARG 32 2HD ARG 32 -23.267 7.847 16.092 225 HE ARG 32 HE ARG 32 -20.638 7.610 14.969 226 1HH1 ARG 32 2HH2 ARG 32 -22.396 9.494 17.401 227 2HH1 ARG 32 1HH2 ARG 32 -20.988 9.797 18.363 228 1HH2 ARG 32 1HH ARG 32 -18.873 8.915 17.660 229 H LEU 33 H LEU 33 -22.095 2.739 14.010 230 HA LEU 33 HA LEU 33 -19.250 3.207 14.337 231 1HB LEU 33 1HB LEU 33 -21.211 1.821 15.767 232 2HB LEU 33 2HB LEU 33 -20.216 0.569 15.051 233 HG LEU 33 HG LEU 33 -18.725 2.780 16.342 234 1HD1 LEU 33 1HD1 LEU 33 -19.265 1.185 18.530 235 2HD1 LEU 33 2HD1 LEU 33 -19.922 2.811 18.224 236 3HD1 LEU 33 3HD1 LEU 33 -20.858 1.369 17.759 237 1HD2 LEU 33 1HD2 LEU 33 -17.405 1.022 15.544 238 2HD2 LEU 33 2HD2 LEU 33 -17.516 0.727 17.296 239 3HD2 LEU 33 3HD2 LEU 33 -18.515 -0.223 16.169 240 H ALA 34 H ALA 34 -21.440 2.007 11.986 241 HA ALA 34 HA ALA 34 -19.646 0.014 10.935 242 1HB ALA 34 1HB ALA 34 -22.213 1.234 9.838 243 2HB ALA 34 2HB ALA 34 -21.385 -0.206 9.199 244 3HB ALA 34 3HB ALA 34 -22.103 -0.241 10.827 245 H HIS 35 H HIS 35 -19.361 3.260 11.152 246 HA HIS 35 HA HIS 35 -18.676 3.727 8.379 247 1HB HIS 35 1HB HIS 35 -19.838 5.529 9.301 248 2HB HIS 35 2HB HIS 35 -18.977 5.447 10.825 249 HD1 HIS 35 HD1 HIS 35 -18.580 6.662 7.259 250 HD2 HIS 35 HD2 HIS 35 -16.581 6.894 10.939 251 HE1 HIS 35 HE1 HIS 35 -16.756 8.423 6.971 252 H SER 36 H SER 36 -17.247 2.469 11.215 253 HA SER 36 HA SER 36 -14.636 3.499 10.583 254 1HB SER 36 1HB SER 36 -15.940 2.207 12.885 255 2HB SER 36 2HB SER 36 -14.354 1.532 12.567 256 HG SER 36 HG SER 36 -13.448 3.315 13.322 257 H ARG 37 H ARG 37 -16.691 0.779 9.867 258 HA ARG 37 HA ARG 37 -14.464 -0.943 9.311 259 1HB ARG 37 1HB ARG 37 -17.058 -1.431 10.121 260 2HB ARG 37 2HB ARG 37 -17.208 -1.717 8.399 261 1HG ARG 37 1HG ARG 37 -15.068 -3.197 8.644 262 2HG ARG 37 2HG ARG 37 -15.363 -3.121 10.369 263 1HD ARG 37 1HD ARG 37 -17.787 -3.793 8.788 264 2HD ARG 37 2HD ARG 37 -16.501 -4.973 8.627 265 HE ARG 37 HE ARG 37 -16.902 -4.211 11.405 266 1HH1 ARG 37 2HH2 ARG 37 -18.176 -6.282 8.828 267 2HH1 ARG 37 1HH2 ARG 37 -18.875 -7.427 9.923 268 1HH2 ARG 37 1HH ARG 37 -18.656 -7.077 12.284 269 H ALA 38 H ALA 38 -15.381 1.716 7.818 270 HA ALA 38 HA ALA 38 -15.867 0.668 5.162 271 1HB ALA 38 1HB ALA 38 -16.811 2.686 4.833 272 2HB ALA 38 2HB ALA 38 -16.553 2.998 6.567 273 3HB ALA 38 3HB ALA 38 -15.342 3.533 5.376 274 H ALA 39 H ALA 39 -13.444 2.888 6.732 275 HA ALA 39 HA ALA 39 -11.659 2.788 4.583 276 1HB ALA 39 1HB ALA 39 -11.930 4.202 6.940 277 2HB ALA 39 2HB ALA 39 -10.494 3.202 7.263 278 3HB ALA 39 3HB ALA 39 -10.525 4.284 5.850 279 H ALA 40 H ALA 40 -11.041 0.790 3.810 280 HA ALA 40 HA ALA 40 -10.286 -1.256 5.721 281 1HB ALA 40 1HB ALA 40 -10.796 -1.099 2.752 282 2HB ALA 40 2HB ALA 40 -9.883 -2.472 3.422 283 3HB ALA 40 3HB ALA 40 -11.546 -2.155 3.973 284 H ALA 41 H ALA 41 -8.789 0.218 2.746 285 HA ALA 41 HA ALA 41 -6.701 0.825 2.317 286 1HB ALA 41 1HB ALA 41 -6.950 1.199 5.167 287 2HB ALA 41 2HB ALA 41 -5.315 0.603 4.795 288 3HB ALA 41 3HB ALA 41 -5.925 2.080 4.010 289 H ALA 42 H ALA 42 -7.172 -1.558 1.431 290 HA ALA 42 HA ALA 42 -5.034 -3.268 2.509 291 1HB ALA 42 1HB ALA 42 -7.786 -3.870 1.416 292 2HB ALA 42 2HB ALA 42 -6.495 -5.092 1.336 293 3HB ALA 42 3HB ALA 42 -7.018 -4.452 2.912 294 H ALA 43 H ALA 43 -6.992 -3.051 -0.545 295 HA ALA 43 HA ALA 43 -5.035 -3.927 -2.233 296 1HB ALA 43 1HB ALA 43 -6.419 -2.116 -3.772 297 2HB ALA 43 2HB ALA 43 -6.986 -3.757 -3.380 298 3HB ALA 43 3HB ALA 43 -7.544 -2.369 -2.416 299 H VAL 44 H VAL 44 -5.259 -0.886 -0.500 300 HA VAL 44 HA VAL 44 -3.287 0.349 -2.251 301 HB VAL 44 HB VAL 44 -5.339 1.224 -0.364 302 1HG1 VAL 44 1HG1 VAL 44 -2.550 2.364 -0.175 303 2HG1 VAL 44 2HG1 VAL 44 -3.983 3.366 0.156 304 3HG1 VAL 44 3HG1 VAL 44 -3.672 1.910 1.131 305 1HG2 VAL 44 1HG2 VAL 44 -5.529 1.802 -2.671 306 2HG2 VAL 44 2HG2 VAL 44 -5.146 3.304 -1.796 307 3HG2 VAL 44 3HG2 VAL 44 -3.876 2.459 -2.714 308 H ALA 45 H ALA 45 -3.680 -1.219 0.913 309 HA ALA 45 HA ALA 45 -1.515 -0.331 2.286 310 1HB ALA 45 1HB ALA 45 -3.370 -2.181 2.732 311 2HB ALA 45 2HB ALA 45 -2.078 -3.283 2.201 312 3HB ALA 45 3HB ALA 45 -1.817 -2.216 3.600 313 H ALA 46 H ALA 46 -1.546 -3.109 -0.065 314 HA ALA 46 HA ALA 46 1.250 -3.428 0.015 315 1HB ALA 46 1HB ALA 46 -0.104 -4.285 -2.452 316 2HB ALA 46 2HB ALA 46 0.757 -5.249 -1.229 317 3HB ALA 46 3HB ALA 46 -0.948 -4.809 -0.975 318 H ALA 47 H ALA 47 -0.977 -1.881 -2.407 319 HA ALA 47 HA ALA 47 1.039 -0.997 -4.105 320 1HB ALA 47 1HB ALA 47 -0.863 0.783 -4.610 321 2HB ALA 47 2HB ALA 47 -1.089 -0.933 -5.027 322 3HB ALA 47 3HB ALA 47 -1.827 -0.272 -3.548 323 H THR 48 H THR 48 0.906 1.713 -4.456 324 HA THR 48 HA THR 48 2.034 3.520 -3.768 325 HB THR 48 HB THR 48 0.441 3.216 -1.186 326 HG1 THR 48 HG1 THR 48 -1.277 3.023 -2.565 327 1HG2 THR 48 1HG2 THR 48 -0.084 5.665 -1.839 328 2HG2 THR 48 2HG2 THR 48 1.589 5.347 -1.318 329 3HG2 THR 48 3HG2 THR 48 1.212 5.513 -3.050 330 H ALA 49 H ALA 49 4.152 2.703 -3.713 331 HA ALA 49 HA ALA 49 5.281 1.204 -1.738 332 1HB ALA 49 1HB ALA 49 6.704 3.525 -3.071 333 2HB ALA 49 2HB ALA 49 7.358 1.933 -2.614 334 3HB ALA 49 3HB ALA 49 6.224 2.072 -3.980 335 H ALA 50 H ALA 50 4.165 4.540 -1.623 336 HA ALA 50 HA ALA 50 5.705 5.137 0.747 337 1HB ALA 50 1HB ALA 50 4.551 6.612 -1.329 338 2HB ALA 50 2HB ALA 50 3.510 6.956 0.073 339 3HB ALA 50 3HB ALA 50 5.260 7.270 0.165 340 H VAL 51 H VAL 51 4.374 2.829 1.295 341 HA VAL 51 HA VAL 51 2.540 3.723 3.333 342 HB VAL 51 HB VAL 51 1.707 1.957 1.034 343 1HG1 VAL 51 1HG1 VAL 51 -0.449 2.166 2.822 344 2HG1 VAL 51 2HG1 VAL 51 0.509 0.713 2.450 345 3HG1 VAL 51 3HG1 VAL 51 0.957 1.746 3.829 346 1HG2 VAL 51 1HG2 VAL 51 -0.319 3.579 1.215 347 2HG2 VAL 51 2HG2 VAL 51 0.795 4.603 2.152 348 3HG2 VAL 51 3HG2 VAL 51 1.191 4.161 0.474 349 H GLU 52 H GLU 52 4.842 2.985 4.151 350 HA GLU 52 HA GLU 52 4.768 0.090 4.469 351 1HB GLU 52 1HB GLU 52 6.849 1.637 3.588 352 2HB GLU 52 2HB GLU 52 7.200 1.607 5.305 353 1HG GLU 52 1HG GLU 52 8.309 -0.328 4.606 354 2HG GLU 52 2HG GLU 52 6.762 -0.998 5.085 355 HE2 GLU 52 HE2 GLU 52 6.014 -2.259 2.194 356 H GLY 53 H GLY 53 5.697 -0.666 6.696 357 1HA GLY 53 1HA GLY 53 4.624 1.119 8.800 358 2HA GLY 53 2HA GLY 53 4.425 -0.622 8.793 359 H THR 54 H THR 54 7.198 1.686 8.274 360 HA THR 54 HA THR 54 9.244 1.748 9.140 361 HB THR 54 HB THR 54 7.792 0.356 11.448 362 HG1 THR 54 HG1 THR 54 7.287 2.487 11.847 363 1HG2 THR 54 1HG2 THR 54 10.066 0.036 12.055 364 2HG2 THR 54 2HG2 THR 54 10.599 1.488 11.174 365 3HG2 THR 54 3HG2 THR 54 9.726 1.653 12.717 366 H GLY 55 H GLY 55 9.296 0.101 7.162 367 1HA GLY 55 1HA GLY 55 10.040 -1.871 6.313 368 2HA GLY 55 2HA GLY 55 11.366 -1.564 7.417 369 H GLY 56 H GLY 56 11.721 -3.844 7.754 370 1HA GLY 56 1HA GLY 56 10.068 -4.938 9.859 371 2HA GLY 56 2HA GLY 56 9.976 -5.812 8.343 372 H SER 57 H SER 57 12.414 -5.946 7.258 373 HA SER 57 HA SER 57 14.496 -6.225 9.103 374 1HB SER 57 1HB SER 57 12.804 -8.618 8.558 375 2HB SER 57 2HB SER 57 14.529 -8.886 8.410 376 HG SER 57 HG SER 57 13.621 -7.451 10.699 377 H GLY 58 H GLY 58 16.490 -7.210 7.983 378 1HA GLY 58 1HA GLY 58 16.708 -8.014 5.406 379 2HA GLY 58 2HA GLY 58 16.559 -6.275 5.256 380 H GLY 59 H GLY 59 18.916 -7.573 4.448 381 1HA GLY 59 1HA GLY 59 20.959 -6.139 5.312 382 2HA GLY 59 2HA GLY 59 20.846 -7.299 6.621 383 H GLY 60 H GLY 60 23.141 -7.145 4.965 384 1HA GLY 60 1HA GLY 60 22.928 -9.689 3.469 385 2HA GLY 60 2HA GLY 60 23.845 -8.315 2.885 386 HA PRO 61 HA PRO 61 26.070 -10.247 6.631 387 1HB PRO 61 1HB PRO 61 25.470 -12.845 7.231 388 2HB PRO 61 2HB PRO 61 24.782 -11.480 8.088 389 1HG PRO 61 1HG PRO 61 23.513 -13.236 6.077 390 2HG PRO 61 2HG PRO 61 22.751 -12.165 7.236 391 1HD PRO 61 1HD PRO 61 23.091 -11.691 4.428 392 2HD PRO 61 2HD PRO 61 22.435 -10.574 5.607 393 H HIS 62 H HIS 62 27.949 -11.767 6.868 394 HA HIS 62 HA HIS 62 28.417 -13.390 4.574 395 1HB HIS 62 1HB HIS 62 28.874 -10.939 3.873 396 2HB HIS 62 2HB HIS 62 30.296 -11.052 4.891 397 HD1 HIS 62 HD1 HIS 62 32.332 -11.621 3.581 398 HD2 HIS 62 HD2 HIS 62 28.893 -13.411 1.979 399 HE1 HIS 62 HE1 HIS 62 33.097 -12.929 1.528 400 H HIS 63 H HIS 63 28.381 -14.732 6.631 401 HA HIS 63 HA HIS 63 30.033 -14.523 8.721 402 1HB HIS 63 1HB HIS 63 29.739 -17.172 7.318 403 2HB HIS 63 2HB HIS 63 29.796 -16.838 9.038 404 HD1 HIS 63 HD1 HIS 63 27.456 -17.959 6.715 405 HD2 HIS 63 HD2 HIS 63 27.348 -14.889 9.571 406 HE1 HIS 63 HE1 HIS 63 24.989 -17.494 7.172 407 H HIS 64 H HIS 64 32.204 -14.608 9.174 408 HA HIS 64 HA HIS 64 34.062 -16.006 7.686 409 1HB HIS 64 1HB HIS 64 33.253 -13.847 6.209 410 2HB HIS 64 2HB HIS 64 34.628 -13.174 7.062 411 HD1 HIS 64 HD1 HIS 64 33.722 -15.892 4.582 412 HD2 HIS 64 HD2 HIS 64 37.137 -14.098 6.230 413 HE1 HIS 64 HE1 HIS 64 35.703 -16.728 3.208 414 H HIS 65 H HIS 65 34.601 -16.518 9.876 415 HA HIS 65 HA HIS 65 34.971 -14.917 11.961 416 1HB HIS 65 1HB HIS 65 36.728 -17.206 11.048 417 2HB HIS 65 2HB HIS 65 36.855 -16.468 12.632 418 HD1 HIS 65 HD1 HIS 65 36.194 -18.897 13.563 419 HD2 HIS 65 HD2 HIS 65 33.196 -16.878 11.435 420 HE1 HIS 65 HE1 HIS 65 34.006 -20.093 14.103 421 H GLN 66 H GLN 66 35.832 -12.901 12.060 422 HA GLN 66 HA GLN 66 38.550 -12.533 11.722 423 1HB GLN 66 1HB GLN 66 37.533 -12.637 9.243 424 2HB GLN 66 2HB GLN 66 37.126 -10.966 9.578 425 1HG GLN 66 1HG GLN 66 39.276 -10.315 9.265 426 2HG GLN 66 2HG GLN 66 39.846 -11.459 10.464 427 1HE2 GLN 66 1HE2 GLN 66 40.110 -13.707 9.807 428 2HE2 GLN 66 2HE2 GLN 66 40.633 -14.077 8.197 429 H THR 67 H THR 67 38.954 -9.906 11.561 430 HA THR 67 HA THR 67 36.807 -8.381 12.706 431 HB THR 67 HB THR 67 39.285 -8.894 14.421 432 HG1 THR 67 HG1 THR 67 36.553 -9.947 14.589 433 1HG2 THR 67 1HG2 THR 67 36.474 -7.964 15.183 434 2HG2 THR 67 2HG2 THR 67 37.928 -7.963 16.209 435 3HG2 THR 67 3HG2 THR 67 37.801 -6.827 14.844 436 H ARG 68 H ARG 68 37.437 -6.090 13.050 437 HA ARG 68 HA ARG 68 38.810 -5.203 10.841 438 1HB ARG 68 1HB ARG 68 38.764 -2.947 12.097 439 2HB ARG 68 2HB ARG 68 37.212 -3.726 11.858 440 1HG ARG 68 1HG ARG 68 36.954 -4.239 14.107 441 2HG ARG 68 2HG ARG 68 38.672 -4.468 14.368 442 1HD ARG 68 1HD ARG 68 39.067 -2.054 14.399 443 2HD ARG 68 2HD ARG 68 37.428 -1.723 13.874 444 HE ARG 68 HE ARG 68 36.628 -2.192 16.057 445 1HH1 ARG 68 2HH2 ARG 68 40.075 -2.975 15.809 446 2HH1 ARG 68 1HH2 ARG 68 40.286 -3.143 17.520 447 1HH2 ARG 68 1HH ARG 68 38.411 -2.809 18.973 448 H GLY 69 H GLY 69 40.952 -4.449 10.510 449 1HA GLY 69 1HA GLY 69 42.907 -3.547 11.878 450 2HA GLY 69 2HA GLY 69 42.840 -5.104 12.679 451 H ALA 70 H ALA 70 42.975 -3.657 9.350 452 HA ALA 70 HA ALA 70 44.189 -6.073 8.334 453 1HB ALA 70 1HB ALA 70 43.469 -5.299 6.333 454 2HB ALA 70 2HB ALA 70 42.546 -4.110 7.283 455 3HB ALA 70 3HB ALA 70 44.139 -3.675 6.619 456 H TYR 71 H TYR 71 45.991 -5.785 10.037 457 HA TYR 71 HA TYR 71 48.243 -4.656 8.674 458 1HB TYR 71 1HB TYR 71 46.710 -3.197 10.693 459 2HB TYR 71 2HB TYR 71 48.252 -3.628 11.406 460 HD1 TYR 71 HD1 TYR 71 50.394 -2.945 10.159 461 HD2 TYR 71 HD2 TYR 71 46.533 -1.369 9.207 462 HE1 TYR 71 HE1 TYR 71 51.483 -0.972 8.982 463 HE2 TYR 71 HE2 TYR 71 47.634 0.599 8.033 464 HH TYR 71 HH TYR 71 51.066 0.662 7.456 465 H SER 72 H SER 72 50.287 -4.923 10.176 466 HA SER 72 HA SER 72 51.607 -6.305 11.203 467 1HB SER 72 1HB SER 72 49.160 -6.944 12.910 468 2HB SER 72 2HB SER 72 50.805 -7.383 13.326 469 HG SER 72 HG SER 72 49.527 -5.032 13.775 470 H SER 73 H SER 73 52.218 -7.913 9.764 471 HA SER 73 HA SER 73 50.748 -10.382 9.978 472 1HB SER 73 1HB SER 73 49.655 -9.587 8.036 473 2HB SER 73 2HB SER 73 51.096 -8.803 7.420 474 HG SER 73 HG SER 73 52.018 -10.933 7.032 475 H HIS 74 H HIS 74 52.567 -11.285 11.050 476 HA HIS 74 HA HIS 74 54.514 -12.278 11.233 477 1HB HIS 74 1HB HIS 74 53.770 -13.271 9.031 478 2HB HIS 74 2HB HIS 74 54.776 -12.086 8.222 479 HD1 HIS 74 HD1 HIS 74 56.993 -13.011 7.577 480 HD2 HIS 74 HD2 HIS 74 55.540 -14.753 11.105 481 HE1 HIS 74 HE1 HIS 74 58.737 -14.729 8.297 482 H ASP 75 H ASP 75 57.007 -11.991 10.758 483 HA ASP 75 HA ASP 75 57.506 -9.167 10.277 484 1HB ASP 75 1HB ASP 75 58.269 -10.868 12.655 485 2HB ASP 75 2HB ASP 75 59.392 -9.627 12.136 486 HD2 ASP 75 HD2 ASP 75 57.865 -7.084 13.453 Start of MODEL 25 1 H MET 1 H MET 1 -38.604 19.586 44.947 2 HA MET 1 HA MET 1 -40.418 21.321 43.918 3 1HB MET 1 1HB MET 1 -39.416 20.710 41.719 4 2HB MET 1 2HB MET 1 -38.167 20.770 42.947 5 1HG MET 1 1HG MET 1 -39.019 18.120 43.118 6 2HG MET 1 2HG MET 1 -39.179 18.445 41.404 7 1HE MET 1 1HE MET 1 -36.784 19.048 39.780 8 2HE MET 1 2HE MET 1 -35.928 17.555 40.234 9 3HE MET 1 3HE MET 1 -37.705 17.569 40.142 10 H GLU 2 H GLU 2 -42.111 21.100 42.256 11 HA GLU 2 HA GLU 2 -44.108 19.477 42.893 12 1HB GLU 2 1HB GLU 2 -43.345 21.034 40.526 13 2HB GLU 2 2HB GLU 2 -44.334 19.655 40.089 14 1HG GLU 2 1HG GLU 2 -46.103 20.334 41.627 15 2HG GLU 2 2HG GLU 2 -45.087 21.572 42.340 16 HE2 GLU 2 HE2 GLU 2 -47.434 21.135 40.159 17 H VAL 3 H VAL 3 -45.042 17.473 42.015 18 HA VAL 3 HA VAL 3 -42.967 15.705 40.915 19 HB VAL 3 HB VAL 3 -45.241 14.980 42.771 20 1HG1 VAL 3 1HG1 VAL 3 -44.086 12.827 42.979 21 2HG1 VAL 3 2HG1 VAL 3 -44.526 13.155 41.286 22 3HG1 VAL 3 3HG1 VAL 3 -42.844 13.371 41.826 23 1HG2 VAL 3 1HG2 VAL 3 -42.991 16.393 43.489 24 2HG2 VAL 3 2HG2 VAL 3 -43.949 15.355 44.573 25 3HG2 VAL 3 3HG2 VAL 3 -42.491 14.710 43.781 26 H ALA 4 H ALA 4 -43.823 13.921 39.534 27 HA ALA 4 HA ALA 4 -45.688 14.986 37.675 28 1HB ALA 4 1HB ALA 4 -43.611 13.183 37.606 29 2HB ALA 4 2HB ALA 4 -45.026 12.105 37.534 30 3HB ALA 4 3HB ALA 4 -44.822 13.387 36.316 31 H MET 5 H MET 5 -47.642 15.337 38.871 32 HA MET 5 HA MET 5 -48.877 12.882 39.831 33 1HB MET 5 1HB MET 5 -48.646 14.864 41.407 34 2HB MET 5 2HB MET 5 -49.627 15.820 40.313 35 1HG MET 5 1HG MET 5 -51.414 13.911 40.582 36 2HG MET 5 2HG MET 5 -50.472 13.416 41.973 37 1HE MET 5 1HE MET 5 -50.856 14.245 44.206 38 2HE MET 5 2HE MET 5 -49.607 15.438 43.776 39 3HE MET 5 3HE MET 5 -51.081 15.959 44.627 40 H VAL 6 H VAL 6 -50.301 11.922 38.451 41 HA VAL 6 HA VAL 6 -51.191 13.161 36.112 42 HB VAL 6 HB VAL 6 -52.356 10.783 37.572 43 1HG1 VAL 6 1HG1 VAL 6 -52.820 10.074 35.139 44 2HG1 VAL 6 2HG1 VAL 6 -53.857 11.335 35.849 45 3HG1 VAL 6 3HG1 VAL 6 -52.550 11.785 34.728 46 1HG2 VAL 6 1HG2 VAL 6 -50.475 10.289 35.359 47 2HG2 VAL 6 2HG2 VAL 6 -49.735 11.043 36.791 48 3HG2 VAL 6 3HG2 VAL 6 -50.612 9.502 36.949 49 H SER 7 H SER 7 -53.650 13.318 35.564 50 HA SER 7 HA SER 7 -55.030 14.453 37.861 51 1HB SER 7 1HB SER 7 -55.009 15.674 35.066 52 2HB SER 7 2HB SER 7 -55.844 16.314 36.468 53 HG SER 7 HG SER 7 -53.337 16.045 37.289 54 H ALA 8 H ALA 8 -57.433 15.173 36.537 55 HA ALA 8 HA ALA 8 -58.698 12.686 36.342 56 1HB ALA 8 1HB ALA 8 -59.662 15.378 35.302 57 2HB ALA 8 2HB ALA 8 -60.661 13.994 35.806 58 3HB ALA 8 3HB ALA 8 -59.714 14.895 37.014 59 H GLU 9 H GLU 9 -60.140 14.158 33.794 60 HA GLU 9 HA GLU 9 -59.545 12.283 31.975 61 1HB GLU 9 1HB GLU 9 -60.717 14.984 31.937 62 2HB GLU 9 2HB GLU 9 -59.965 14.573 30.409 63 1HG GLU 9 1HG GLU 9 -62.221 13.781 30.241 64 2HG GLU 9 2HG GLU 9 -61.242 12.348 30.491 65 HE2 GLU 9 HE2 GLU 9 -63.770 11.792 32.843 66 H SER 10 H SER 10 -58.361 12.561 29.784 67 HA SER 10 HA SER 10 -56.525 12.814 28.657 68 1HB SER 10 1HB SER 10 -56.906 15.373 29.883 69 2HB SER 10 2HB SER 10 -55.190 15.028 29.973 70 HG SER 10 HG SER 10 -55.045 14.892 27.748 71 H SER 11 H SER 11 -55.202 11.067 29.088 72 HA SER 11 HA SER 11 -53.955 10.893 31.659 73 1HB SER 11 1HB SER 11 -53.663 9.057 29.241 74 2HB SER 11 2HB SER 11 -53.186 8.685 30.886 75 HG SER 11 HG SER 11 -55.839 8.974 29.806 76 H GLY 12 H GLY 12 -51.660 10.929 32.037 77 1HA GLY 12 1HA GLY 12 -50.147 12.815 30.828 78 2HA GLY 12 2HA GLY 12 -49.488 11.402 31.629 79 H CYS 13 H CYS 13 -49.316 9.334 30.292 80 HA CYS 13 HA CYS 13 -49.473 9.549 27.481 81 1HB CYS 13 1HB CYS 13 -47.426 10.932 27.883 82 2HB CYS 13 2HB CYS 13 -46.657 9.539 28.615 83 HG CYS 13 HG CYS 13 -48.153 8.784 25.896 84 H ASN 14 H ASN 14 -50.798 7.702 28.593 85 HA ASN 14 HA ASN 14 -49.127 5.487 29.363 86 1HB ASN 14 1HB ASN 14 -51.888 6.343 29.835 87 2HB ASN 14 2HB ASN 14 -51.874 4.693 29.243 88 1HD2 ASN 14 1HD2 ASN 14 -51.015 3.061 30.441 89 2HD2 ASN 14 2HD2 ASN 14 -50.510 3.218 32.091 90 H SER 15 H SER 15 -49.308 6.621 26.525 91 HA SER 15 HA SER 15 -49.708 4.104 25.245 92 1HB SER 15 1HB SER 15 -51.898 5.845 25.298 93 2HB SER 15 2HB SER 15 -51.162 6.188 23.745 94 HG SER 15 HG SER 15 -51.383 4.016 23.126 95 H HIS 16 H HIS 16 -47.390 4.411 24.917 96 HA HIS 16 HA HIS 16 -46.857 6.378 22.815 97 1HB HIS 16 1HB HIS 16 -45.893 6.599 25.366 98 2HB HIS 16 2HB HIS 16 -44.604 5.692 24.601 99 HD1 HIS 16 HD1 HIS 16 -43.021 7.780 24.804 100 HD2 HIS 16 HD2 HIS 16 -46.401 8.370 22.390 101 HE1 HIS 16 HE1 HIS 16 -42.601 9.932 23.499 102 H MET 17 H MET 17 -47.619 4.201 21.716 103 HA MET 17 HA MET 17 -46.086 1.959 21.774 104 1HB MET 17 1HB MET 17 -47.882 3.333 19.786 105 2HB MET 17 2HB MET 17 -46.859 2.070 19.130 106 1HG MET 17 1HG MET 17 -47.717 0.515 20.959 107 2HG MET 17 2HG MET 17 -48.834 1.776 21.444 108 1HE MET 17 1HE MET 17 -47.410 -0.357 18.914 109 2HE MET 17 2HE MET 17 -48.852 -1.261 18.393 110 3HE MET 17 3HE MET 17 -48.237 0.083 17.401 111 HA PRO 18 HA PRO 18 -42.401 2.917 19.693 112 1HB PRO 18 1HB PRO 18 -41.716 0.528 18.555 113 2HB PRO 18 2HB PRO 18 -41.452 0.894 20.248 114 1HG PRO 18 1HG PRO 18 -43.512 -0.838 19.026 115 2HG PRO 18 2HG PRO 18 -42.964 -0.791 20.690 116 1HD PRO 18 1HD PRO 18 -45.403 0.309 19.655 117 2HD PRO 18 2HD PRO 18 -44.799 0.456 21.293 118 H TYR 19 H TYR 19 -41.212 3.211 17.661 119 HA TYR 19 HA TYR 19 -43.020 4.115 15.701 120 1HB TYR 19 1HB TYR 19 -40.014 3.463 15.835 121 2HB TYR 19 2HB TYR 19 -40.725 4.234 14.431 122 HD1 TYR 19 HD1 TYR 19 -42.296 6.371 15.137 123 HD2 TYR 19 HD2 TYR 19 -38.943 4.867 17.328 124 HE1 TYR 19 HE1 TYR 19 -41.987 8.643 16.237 125 HE2 TYR 19 HE2 TYR 19 -38.645 7.144 18.420 126 HH TYR 19 HH TYR 19 -39.408 9.695 17.499 127 H GLY 20 H GLY 20 -43.383 3.356 13.540 128 1HA GLY 20 1HA GLY 20 -43.370 0.453 13.363 129 2HA GLY 20 2HA GLY 20 -44.181 1.589 12.303 130 H TYR 21 H TYR 21 -43.254 2.109 10.344 131 HA TYR 21 HA TYR 21 -41.105 0.643 9.393 132 1HB TYR 21 1HB TYR 21 -41.280 2.383 7.535 133 2HB TYR 21 2HB TYR 21 -42.852 1.775 8.015 134 HD1 TYR 21 HD1 TYR 21 -40.571 4.670 8.153 135 HD2 TYR 21 HD2 TYR 21 -44.468 3.202 9.134 136 HE1 TYR 21 HE1 TYR 21 -41.361 7.045 8.599 137 HE2 TYR 21 HE2 TYR 21 -45.245 5.582 9.576 138 HH TYR 21 HH TYR 21 -44.717 7.669 9.601 139 H ALA 22 H ALA 22 -41.148 3.457 11.444 140 HA ALA 22 HA ALA 22 -38.473 4.258 10.638 141 1HB ALA 22 1HB ALA 22 -40.422 5.846 11.195 142 2HB ALA 22 2HB ALA 22 -40.160 5.385 12.894 143 3HB ALA 22 3HB ALA 22 -38.859 6.182 11.976 144 H ALA 23 H ALA 23 -38.854 1.551 11.688 145 HA ALA 23 HA ALA 23 -37.853 1.715 14.408 146 1HB ALA 23 1HB ALA 23 -38.073 -0.766 14.297 147 2HB ALA 23 2HB ALA 23 -39.589 0.072 13.885 148 3HB ALA 23 3HB ALA 23 -38.577 -0.623 12.596 149 H GLN 24 H GLN 24 -36.616 1.963 11.278 150 HA GLN 24 HA GLN 24 -34.287 0.381 11.726 151 1HB GLN 24 1HB GLN 24 -35.432 2.010 9.509 152 2HB GLN 24 2HB GLN 24 -33.681 1.951 9.553 153 1HG GLN 24 1HG GLN 24 -34.029 0.015 8.345 154 2HG GLN 24 2HG GLN 24 -34.152 -0.680 9.949 155 1HE2 GLN 24 1HE2 GLN 24 -35.322 -2.148 8.236 156 2HE2 GLN 24 2HE2 GLN 24 -37.046 -1.987 8.184 157 H ALA 25 H ALA 25 -35.343 3.240 13.041 158 HA ALA 25 HA ALA 25 -33.181 4.975 12.718 159 1HB ALA 25 1HB ALA 25 -34.894 4.747 15.209 160 2HB ALA 25 2HB ALA 25 -34.187 6.207 14.475 161 3HB ALA 25 3HB ALA 25 -35.544 5.377 13.677 162 H ARG 26 H ARG 26 -33.522 1.956 14.434 163 HA ARG 26 HA ARG 26 -31.606 2.503 16.408 164 1HB ARG 26 1HB ARG 26 -33.452 0.517 16.015 165 2HB ARG 26 2HB ARG 26 -32.011 -0.325 15.480 166 1HG ARG 26 1HG ARG 26 -30.877 0.266 17.642 167 2HG ARG 26 2HG ARG 26 -32.337 1.073 18.178 168 1HD ARG 26 1HD ARG 26 -33.577 -1.150 17.831 169 2HD ARG 26 2HD ARG 26 -32.016 -1.899 17.557 170 HE ARG 26 HE ARG 26 -31.614 -0.598 19.946 171 1HH1 ARG 26 2HH2 ARG 26 -34.149 -2.810 18.835 172 2HH1 ARG 26 1HH2 ARG 26 -34.462 -3.443 20.416 173 1HH2 ARG 26 1HH ARG 26 -33.203 -2.619 22.281 174 H ALA 27 H ALA 27 -31.541 1.360 13.041 175 HA ALA 27 HA ALA 27 -28.926 0.272 13.129 176 1HB ALA 27 1HB ALA 27 -30.420 -0.469 11.419 177 2HB ALA 27 2HB ALA 27 -30.790 1.198 10.917 178 3HB ALA 27 3HB ALA 27 -29.182 0.507 10.593 179 H ARG 28 H ARG 28 -30.323 3.514 12.714 180 HA ARG 28 HA ARG 28 -28.146 4.693 11.505 181 1HB ARG 28 1HB ARG 28 -30.661 5.511 12.385 182 2HB ARG 28 2HB ARG 28 -29.603 6.388 13.472 183 1HG ARG 28 1HG ARG 28 -29.120 7.875 11.834 184 2HG ARG 28 2HG ARG 28 -28.459 6.591 10.842 185 1HD ARG 28 1HD ARG 28 -30.967 6.055 10.247 186 2HD ARG 28 2HD ARG 28 -31.309 7.650 10.887 187 HE ARG 28 HE ARG 28 -30.195 8.630 9.048 188 1HH1 ARG 28 2HH2 ARG 28 -29.644 5.130 9.069 189 2HH1 ARG 28 1HH2 ARG 28 -28.962 5.103 7.477 190 1HH2 ARG 28 1HH ARG 28 -28.767 7.151 6.248 191 H GLU 29 H GLU 29 -28.822 3.774 14.872 192 HA GLU 29 HA GLU 29 -26.711 5.386 15.908 193 1HB GLU 29 1HB GLU 29 -28.988 4.274 16.990 194 2HB GLU 29 2HB GLU 29 -27.771 3.155 17.569 195 1HG GLU 29 1HG GLU 29 -26.798 4.712 18.958 196 2HG GLU 29 2HG GLU 29 -26.997 6.019 17.809 197 HE2 GLU 29 HE2 GLU 29 -29.388 6.106 20.765 198 H ARG 30 H ARG 30 -27.117 2.166 14.561 199 HA ARG 30 HA ARG 30 -24.678 1.250 15.764 200 1HB ARG 30 1HB ARG 30 -26.943 0.042 14.236 201 2HB ARG 30 2HB ARG 30 -25.382 -0.686 13.910 202 1HG ARG 30 1HG ARG 30 -25.886 -1.941 15.770 203 2HG ARG 30 2HG ARG 30 -25.222 -0.561 16.623 204 1HD ARG 30 1HD ARG 30 -28.082 -0.209 15.936 205 2HD ARG 30 2HD ARG 30 -27.799 -1.602 16.961 206 HE ARG 30 HE ARG 30 -27.342 1.226 17.673 207 1HH1 ARG 30 2HH2 ARG 30 -26.792 -2.161 18.553 208 2HH1 ARG 30 1HH2 ARG 30 -26.458 -1.804 20.214 209 1HH2 ARG 30 1HH ARG 30 -26.528 0.471 20.963 210 H GLU 31 H GLU 31 -25.921 2.615 12.739 211 HA GLU 31 HA GLU 31 -23.907 1.723 11.051 212 1HB GLU 31 1HB GLU 31 -26.199 3.421 10.905 213 2HB GLU 31 2HB GLU 31 -24.854 4.357 10.284 214 1HG GLU 31 1HG GLU 31 -24.435 2.860 8.519 215 2HG GLU 31 2HG GLU 31 -25.139 1.496 9.363 216 HE2 GLU 31 HE2 GLU 31 -27.116 1.036 8.841 217 H ARG 32 H ARG 32 -24.014 4.231 13.524 218 HA ARG 32 HA ARG 32 -22.047 5.888 12.571 219 1HB ARG 32 1HB ARG 32 -23.637 5.864 14.783 220 2HB ARG 32 2HB ARG 32 -22.143 5.332 15.529 221 1HG ARG 32 1HG ARG 32 -21.411 7.475 15.561 222 2HG ARG 32 2HG ARG 32 -21.429 7.497 13.809 223 1HD ARG 32 1HD ARG 32 -22.916 9.242 14.239 224 2HD ARG 32 2HD ARG 32 -24.049 7.910 14.139 225 HE ARG 32 HE ARG 32 -24.468 8.117 16.435 226 1HH1 ARG 32 2HH2 ARG 32 -21.478 9.851 15.656 227 2HH1 ARG 32 1HH2 ARG 32 -21.332 10.558 17.231 228 1HH2 ARG 32 1HH ARG 32 -22.988 10.073 18.894 229 H LEU 33 H LEU 33 -21.904 2.691 14.107 230 HA LEU 33 HA LEU 33 -19.042 2.915 14.537 231 1HB LEU 33 1HB LEU 33 -21.135 1.556 15.795 232 2HB LEU 33 2HB LEU 33 -20.216 0.303 14.986 233 HG LEU 33 HG LEU 33 -19.453 0.586 17.269 234 1HD1 LEU 33 1HD1 LEU 33 -17.072 1.748 16.098 235 2HD1 LEU 33 2HD1 LEU 33 -17.379 0.085 16.654 236 3HD1 LEU 33 3HD1 LEU 33 -17.823 0.567 14.999 237 1HD2 LEU 33 1HD2 LEU 33 -18.464 2.626 18.105 238 2HD2 LEU 33 2HD2 LEU 33 -18.722 3.435 16.540 239 3HD2 LEU 33 3HD2 LEU 33 -20.118 2.955 17.535 240 H ALA 34 H ALA 34 -21.251 2.098 12.043 241 HA ALA 34 HA ALA 34 -19.578 0.080 10.849 242 1HB ALA 34 1HB ALA 34 -22.223 0.516 10.778 243 2HB ALA 34 2HB ALA 34 -21.764 1.480 9.353 244 3HB ALA 34 3HB ALA 34 -21.358 -0.252 9.425 245 H HIS 35 H HIS 35 -19.067 3.264 11.368 246 HA HIS 35 HA HIS 35 -18.278 3.926 8.663 247 1HB HIS 35 1HB HIS 35 -18.818 5.391 11.166 248 2HB HIS 35 2HB HIS 35 -17.460 6.011 10.249 249 HD1 HIS 35 HD1 HIS 35 -20.912 6.607 10.600 250 HD2 HIS 35 HD2 HIS 35 -18.400 6.185 7.267 251 HE1 HIS 35 HE1 HIS 35 -22.122 7.719 8.648 252 H SER 36 H SER 36 -17.017 2.317 11.399 253 HA SER 36 HA SER 36 -14.324 3.205 10.916 254 1HB SER 36 1HB SER 36 -15.220 2.776 13.239 255 2HB SER 36 2HB SER 36 -15.358 1.076 12.840 256 HG SER 36 HG SER 36 -12.874 1.649 12.166 257 H ARG 37 H ARG 37 -16.548 0.722 9.909 258 HA ARG 37 HA ARG 37 -14.437 -1.104 9.244 259 1HB ARG 37 1HB ARG 37 -17.079 -1.471 9.951 260 2HB ARG 37 2HB ARG 37 -17.204 -1.581 8.206 261 1HG ARG 37 1HG ARG 37 -16.450 -3.714 8.321 262 2HG ARG 37 2HG ARG 37 -14.903 -3.109 8.881 263 1HD ARG 37 1HD ARG 37 -15.286 -4.120 10.878 264 2HD ARG 37 2HD ARG 37 -16.596 -2.992 11.159 265 HE ARG 37 HE ARG 37 -16.845 -5.777 10.223 266 1HH1 ARG 37 2HH2 ARG 37 -18.474 -2.657 10.637 267 2HH1 ARG 37 1HH2 ARG 37 -20.064 -3.340 10.578 268 1HH2 ARG 37 1HH ARG 37 -20.317 -5.705 10.287 269 H ALA 38 H ALA 38 -15.115 1.741 7.985 270 HA ALA 38 HA ALA 38 -15.978 1.432 5.390 271 1HB ALA 38 1HB ALA 38 -14.730 3.429 7.042 272 2HB ALA 38 2HB ALA 38 -13.916 3.409 5.460 273 3HB ALA 38 3HB ALA 38 -15.677 3.650 5.551 274 H ALA 39 H ALA 39 -12.711 0.956 6.834 275 HA ALA 39 HA ALA 39 -11.214 0.719 4.568 276 1HB ALA 39 1HB ALA 39 -9.631 -0.024 6.020 277 2HB ALA 39 2HB ALA 39 -10.849 0.353 7.262 278 3HB ALA 39 3HB ALA 39 -10.680 -1.313 6.658 279 H ALA 40 H ALA 40 -11.591 -0.429 2.742 280 HA ALA 40 HA ALA 40 -13.446 -2.355 2.379 281 1HB ALA 40 1HB ALA 40 -10.734 -2.385 1.013 282 2HB ALA 40 2HB ALA 40 -12.313 -2.847 0.335 283 3HB ALA 40 3HB ALA 40 -11.960 -1.138 0.686 284 H ALA 41 H ALA 41 -9.921 -3.210 2.585 285 HA ALA 41 HA ALA 41 -10.118 -5.850 2.920 286 1HB ALA 41 1HB ALA 41 -8.246 -3.731 3.782 287 2HB ALA 41 2HB ALA 41 -8.131 -5.236 4.727 288 3HB ALA 41 3HB ALA 41 -7.925 -5.277 2.960 289 H ALA 42 H ALA 42 -11.852 -6.748 4.021 290 HA ALA 42 HA ALA 42 -12.233 -5.891 6.791 291 1HB ALA 42 1HB ALA 42 -14.425 -6.269 6.414 292 2HB ALA 42 2HB ALA 42 -13.998 -6.418 4.692 293 3HB ALA 42 3HB ALA 42 -14.103 -7.873 5.713 294 H ALA 43 H ALA 43 -12.619 -9.070 5.088 295 HA ALA 43 HA ALA 43 -11.987 -10.598 7.292 296 1HB ALA 43 1HB ALA 43 -13.008 -11.777 5.582 297 2HB ALA 43 2HB ALA 43 -12.033 -10.995 4.314 298 3HB ALA 43 3HB ALA 43 -11.316 -12.268 5.330 299 H VAL 44 H VAL 44 -9.945 -8.625 5.276 300 HA VAL 44 HA VAL 44 -7.559 -10.110 6.009 301 HB VAL 44 HB VAL 44 -8.364 -8.161 3.984 302 1HG1 VAL 44 1HG1 VAL 44 -6.197 -7.063 3.746 303 2HG1 VAL 44 2HG1 VAL 44 -6.906 -6.695 5.337 304 3HG1 VAL 44 3HG1 VAL 44 -5.594 -7.890 5.202 305 1HG2 VAL 44 1HG2 VAL 44 -6.394 -9.287 2.804 306 2HG2 VAL 44 2HG2 VAL 44 -6.269 -10.329 4.241 307 3HG2 VAL 44 3HG2 VAL 44 -7.759 -10.332 3.267 308 H ALA 45 H ALA 45 -9.433 -7.222 6.876 309 HA ALA 45 HA ALA 45 -7.574 -5.694 8.148 310 1HB ALA 45 1HB ALA 45 -10.348 -5.806 7.918 311 2HB ALA 45 2HB ALA 45 -10.070 -5.961 9.669 312 3HB ALA 45 3HB ALA 45 -9.419 -4.560 8.785 313 H ALA 46 H ALA 46 -9.538 -8.366 9.647 314 HA ALA 46 HA ALA 46 -8.102 -8.287 12.068 315 1HB ALA 46 1HB ALA 46 -9.429 -10.813 11.202 316 2HB ALA 46 2HB ALA 46 -9.604 -9.887 12.713 317 3HB ALA 46 3HB ALA 46 -10.452 -9.357 11.240 318 H ALA 47 H ALA 47 -8.004 -10.571 9.240 319 HA ALA 47 HA ALA 47 -5.902 -12.110 10.203 320 1HB ALA 47 1HB ALA 47 -7.566 -12.004 7.949 321 2HB ALA 47 2HB ALA 47 -5.922 -11.810 7.296 322 3HB ALA 47 3HB ALA 47 -6.322 -13.229 8.294 323 H THR 48 H THR 48 -3.921 -12.072 8.170 324 HA THR 48 HA THR 48 -1.954 -11.134 7.728 325 HB THR 48 HB THR 48 -3.685 -8.605 7.749 326 HG1 THR 48 HG1 THR 48 -4.121 -10.516 6.278 327 1HG2 THR 48 1HG2 THR 48 -0.900 -9.184 6.619 328 2HG2 THR 48 2HG2 THR 48 -1.919 -7.837 6.058 329 3HG2 THR 48 3HG2 THR 48 -1.351 -7.881 7.744 330 H ALA 49 H ALA 49 -1.749 -11.983 10.120 331 HA ALA 49 HA ALA 49 -1.672 -10.334 12.278 332 1HB ALA 49 1HB ALA 49 -1.255 -12.575 12.727 333 2HB ALA 49 2HB ALA 49 -0.094 -12.738 11.388 334 3HB ALA 49 3HB ALA 49 0.382 -11.894 12.881 335 H ALA 50 H ALA 50 -0.483 -8.600 12.951 336 HA ALA 50 HA ALA 50 1.485 -7.581 11.099 337 1HB ALA 50 1HB ALA 50 0.365 -5.748 11.814 338 2HB ALA 50 2HB ALA 50 -0.239 -6.574 13.271 339 3HB ALA 50 3HB ALA 50 1.393 -5.864 13.263 340 H VAL 51 H VAL 51 2.462 -9.964 11.975 341 HA VAL 51 HA VAL 51 4.518 -9.108 13.887 342 HB VAL 51 HB VAL 51 2.696 -10.677 14.778 343 1HG1 VAL 51 1HG1 VAL 51 3.008 -12.109 12.561 344 2HG1 VAL 51 2HG1 VAL 51 4.253 -12.917 13.545 345 3HG1 VAL 51 3HG1 VAL 51 2.565 -12.869 14.109 346 1HG2 VAL 51 1HG2 VAL 51 5.352 -10.342 15.406 347 2HG2 VAL 51 2HG2 VAL 51 4.174 -11.266 16.369 348 3HG2 VAL 51 3HG2 VAL 51 5.232 -12.108 15.212 349 H GLU 52 H GLU 52 5.004 -8.603 11.295 350 HA GLU 52 HA GLU 52 5.847 -10.704 9.742 351 1HB GLU 52 1HB GLU 52 5.530 -8.428 8.873 352 2HB GLU 52 2HB GLU 52 6.846 -7.826 9.860 353 1HG GLU 52 1HG GLU 52 8.388 -9.474 8.642 354 2HG GLU 52 2HG GLU 52 7.055 -9.816 7.557 355 HE2 GLU 52 HE2 GLU 52 7.611 -7.075 5.658 356 H GLY 53 H GLY 53 7.968 -11.604 9.303 357 1HA GLY 53 1HA GLY 53 10.329 -10.929 10.572 358 2HA GLY 53 2HA GLY 53 9.515 -12.050 11.646 359 H THR 54 H THR 54 8.304 -13.925 10.120 360 HA THR 54 HA THR 54 10.220 -15.686 9.405 361 HB THR 54 HB THR 54 7.422 -15.266 8.229 362 HG1 THR 54 HG1 THR 54 8.535 -17.032 10.286 363 1HG2 THR 54 1HG2 THR 54 7.741 -17.945 8.271 364 2HG2 THR 54 2HG2 THR 54 8.195 -16.991 6.838 365 3HG2 THR 54 3HG2 THR 54 9.444 -17.500 8.000 366 H GLY 55 H GLY 55 11.393 -16.315 7.602 367 1HA GLY 55 1HA GLY 55 11.300 -15.743 5.047 368 2HA GLY 55 2HA GLY 55 11.780 -14.168 5.648 369 H GLY 56 H GLY 56 13.615 -14.474 7.560 370 1HA GLY 56 1HA GLY 56 15.995 -14.929 6.443 371 2HA GLY 56 2HA GLY 56 15.671 -15.255 8.134 372 H SER 57 H SER 57 15.222 -17.430 8.854 373 HA SER 57 HA SER 57 15.371 -19.596 8.843 374 1HB SER 57 1HB SER 57 14.962 -19.416 5.825 375 2HB SER 57 2HB SER 57 14.886 -20.900 6.753 376 HG SER 57 HG SER 57 12.762 -20.086 6.453 377 H GLY 58 H GLY 58 17.323 -20.525 9.327 378 1HA GLY 58 1HA GLY 58 19.727 -19.717 8.069 379 2HA GLY 58 2HA GLY 58 19.519 -21.014 9.229 380 H GLY 59 H GLY 59 21.272 -21.911 7.646 381 1HA GLY 59 1HA GLY 59 20.111 -23.014 5.195 382 2HA GLY 59 2HA GLY 59 21.802 -22.990 5.655 383 H GLY 60 H GLY 60 22.661 -24.924 6.266 384 1HA GLY 60 1HA GLY 60 21.077 -26.741 7.900 385 2HA GLY 60 2HA GLY 60 21.514 -27.319 6.304 386 HA PRO 61 HA PRO 61 25.485 -28.275 7.762 387 1HB PRO 61 1HB PRO 61 27.076 -27.956 5.563 388 2HB PRO 61 2HB PRO 61 26.058 -29.360 5.814 389 1HG PRO 61 1HG PRO 61 25.649 -27.080 3.977 390 2HG PRO 61 2HG PRO 61 24.899 -28.663 3.946 391 1HD PRO 61 1HD PRO 61 23.709 -26.218 4.858 392 2HD PRO 61 2HD PRO 61 23.002 -27.819 4.934 393 H HIS 62 H HIS 62 27.949 -27.570 7.774 394 HA HIS 62 HA HIS 62 27.975 -24.663 7.897 395 1HB HIS 62 1HB HIS 62 27.578 -26.097 10.180 396 2HB HIS 62 2HB HIS 62 29.329 -26.028 10.150 397 HD1 HIS 62 HD1 HIS 62 29.595 -24.368 12.082 398 HD2 HIS 62 HD2 HIS 62 27.139 -22.945 8.993 399 HE1 HIS 62 HE1 HIS 62 29.189 -21.897 12.572 400 H HIS 63 H HIS 63 30.112 -23.742 7.667 401 HA HIS 63 HA HIS 63 31.681 -24.822 5.806 402 1HB HIS 63 1HB HIS 63 31.756 -22.529 7.027 403 2HB HIS 63 2HB HIS 63 32.922 -23.294 8.087 404 HD1 HIS 63 HD1 HIS 63 35.165 -22.443 7.390 405 HD2 HIS 63 HD2 HIS 63 32.767 -23.450 4.099 406 HE1 HIS 63 HE1 HIS 63 36.621 -22.119 5.319 407 H HIS 64 H HIS 64 33.888 -25.823 5.861 408 HA HIS 64 HA HIS 64 33.819 -28.041 7.694 409 1HB HIS 64 1HB HIS 64 35.412 -29.058 6.282 410 2HB HIS 64 2HB HIS 64 34.266 -28.253 5.229 411 HD1 HIS 64 HD1 HIS 64 37.835 -28.578 5.848 412 HD2 HIS 64 HD2 HIS 64 35.318 -25.617 4.267 413 HE1 HIS 64 HE1 HIS 64 39.339 -26.984 4.541 414 H HIS 65 H HIS 65 35.935 -28.737 8.780 415 HA HIS 65 HA HIS 65 38.101 -27.282 9.227 416 1HB HIS 65 1HB HIS 65 37.441 -26.021 11.411 417 2HB HIS 65 2HB HIS 65 37.197 -25.268 9.847 418 HD1 HIS 65 HD1 HIS 65 35.420 -23.877 11.491 419 HD2 HIS 65 HD2 HIS 65 34.394 -27.779 10.342 420 HE1 HIS 65 HE1 HIS 65 32.904 -24.092 11.857 421 H GLN 66 H GLN 66 39.093 -29.164 9.830 422 HA GLN 66 HA GLN 66 37.877 -30.566 12.077 423 1HB GLN 66 1HB GLN 66 38.311 -31.698 9.737 424 2HB GLN 66 2HB GLN 66 39.982 -31.769 10.261 425 1HG GLN 66 1HG GLN 66 39.564 -33.492 11.688 426 2HG GLN 66 2HG GLN 66 38.192 -32.666 12.401 427 1HE2 GLN 66 1HE2 GLN 66 38.210 -35.378 11.987 428 2HE2 GLN 66 2HE2 GLN 66 37.054 -35.822 10.777 429 H THR 67 H THR 67 39.812 -31.948 13.261 430 HA THR 67 HA THR 67 41.324 -30.028 14.622 431 HB THR 67 HB THR 67 41.539 -33.076 14.394 432 HG1 THR 67 HG1 THR 67 39.552 -31.812 15.210 433 1HG2 THR 67 1HG2 THR 67 43.608 -32.286 15.433 434 2HG2 THR 67 2HG2 THR 67 42.717 -31.081 16.395 435 3HG2 THR 67 3HG2 THR 67 42.525 -32.817 16.742 436 H ARG 68 H ARG 68 43.815 -30.293 14.905 437 HA ARG 68 HA ARG 68 44.950 -29.327 12.638 438 1HB ARG 68 1HB ARG 68 45.753 -29.629 15.235 439 2HB ARG 68 2HB ARG 68 46.735 -30.878 14.495 440 1HG ARG 68 1HG ARG 68 48.194 -29.167 14.064 441 2HG ARG 68 2HG ARG 68 47.137 -28.831 12.707 442 1HD ARG 68 1HD ARG 68 46.242 -27.637 15.290 443 2HD ARG 68 2HD ARG 68 47.764 -27.009 14.690 444 HE ARG 68 HE ARG 68 46.650 -26.095 12.803 445 1HH1 ARG 68 2HH2 ARG 68 44.426 -28.079 14.720 446 2HH1 ARG 68 1HH2 ARG 68 43.011 -27.497 13.908 447 1HH2 ARG 68 1HH ARG 68 43.244 -25.880 12.156 448 H GLY 69 H GLY 69 47.017 -30.398 11.536 449 1HA GLY 69 1HA GLY 69 46.801 -33.287 11.237 450 2HA GLY 69 2HA GLY 69 46.392 -32.333 9.825 451 H ALA 70 H ALA 70 48.981 -33.230 12.110 452 HA ALA 70 HA ALA 70 50.913 -32.123 10.187 453 1HB ALA 70 1HB ALA 70 50.549 -31.510 12.934 454 2HB ALA 70 2HB ALA 70 52.017 -32.512 12.833 455 3HB ALA 70 3HB ALA 70 51.893 -31.015 11.877 456 H TYR 71 H TYR 71 52.994 -33.365 10.095 457 HA TYR 71 HA TYR 71 52.527 -36.199 10.740 458 1HB TYR 71 1HB TYR 71 53.215 -34.658 8.267 459 2HB TYR 71 2HB TYR 71 54.325 -35.982 8.559 460 HD1 TYR 71 HD1 TYR 71 53.833 -37.798 7.211 461 HD2 TYR 71 HD2 TYR 71 50.605 -35.592 8.947 462 HE1 TYR 71 HE1 TYR 71 52.164 -39.417 6.183 463 HE2 TYR 71 HE2 TYR 71 48.947 -37.219 7.913 464 HH TYR 71 HH TYR 71 49.580 -39.123 5.467 465 H SER 72 H SER 72 54.263 -37.362 11.592 466 HA SER 72 HA SER 72 56.098 -37.667 12.711 467 1HB SER 72 1HB SER 72 56.886 -36.604 10.200 468 2HB SER 72 2HB SER 72 57.902 -35.796 11.377 469 HG SER 72 HG SER 72 57.986 -38.414 10.495 470 H SER 73 H SER 73 55.565 -36.772 14.743 471 HA SER 73 HA SER 73 56.980 -34.380 15.368 472 1HB SER 73 1HB SER 73 53.950 -34.466 15.722 473 2HB SER 73 2HB SER 73 55.000 -33.208 16.342 474 HG SER 73 HG SER 73 55.699 -33.102 13.907 475 H HIS 74 H HIS 74 58.163 -35.504 16.936 476 HA HIS 74 HA HIS 74 56.785 -36.093 19.350 477 1HB HIS 74 1HB HIS 74 57.628 -38.309 17.537 478 2HB HIS 74 2HB HIS 74 57.931 -38.511 19.251 479 HD1 HIS 74 HD1 HIS 74 55.660 -38.072 20.823 480 HD2 HIS 74 HD2 HIS 74 55.103 -39.034 16.778 481 HE1 HIS 74 HE1 HIS 74 53.252 -38.887 20.607 482 H ASP 75 H ASP 75 58.175 -35.867 21.098 483 HA ASP 75 HA ASP 75 59.952 -35.159 22.132 484 1HB ASP 75 1HB ASP 75 60.648 -37.494 21.877 485 2HB ASP 75 2HB ASP 75 61.258 -37.186 20.263 486 HD2 ASP 75 HD2 ASP 75 63.627 -37.447 20.655
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