NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4193 | 1exk | 4677 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 25.763 -0.673 -3.112 2 1HA GLY 1 HA2 GLY 1 23.684 0.999 -3.250 3 2HA GLY 1 HA3 GLY 1 24.350 1.231 -4.881 4 H VAL 2 H VAL 2 24.740 -0.761 -6.158 5 HA VAL 2 HA VAL 2 22.511 -2.480 -6.384 6 HB VAL 2 HB VAL 2 23.939 -3.794 -7.913 7 1HG1 VAL 2 1HG1 VAL 2 24.318 -2.037 -9.551 8 2HG1 VAL 2 2HG1 VAL 2 22.805 -1.734 -8.682 9 3HG1 VAL 2 3HG1 VAL 2 24.258 -0.787 -8.296 10 1HG2 VAL 2 1HG2 VAL 2 26.241 -3.117 -8.399 11 2HG2 VAL 2 2HG2 VAL 2 26.220 -1.948 -7.070 12 3HG2 VAL 2 3HG2 VAL 2 26.104 -3.689 -6.734 13 H THR 3 H THR 3 25.262 -2.669 -4.264 14 HA THR 3 HA THR 3 25.303 -5.429 -3.604 15 HB THR 3 HB THR 3 26.423 -4.255 -1.518 16 HG1 THR 3 HG1 THR 3 26.958 -2.089 -1.976 17 1HG2 THR 3 1HG2 THR 3 27.703 -5.279 -3.376 18 2HG2 THR 3 2HG2 THR 3 27.514 -3.799 -4.339 19 3HG2 THR 3 3HG2 THR 3 28.463 -3.772 -2.839 20 H LYS 4 H LYS 4 23.433 -2.621 -2.474 21 HA LYS 4 HA LYS 4 22.146 -4.191 -0.291 22 1HB LYS 4 HB2 LYS 4 21.965 -1.257 -1.109 23 2HB LYS 4 HB3 LYS 4 21.128 -2.020 0.262 24 1HG LYS 4 HG2 LYS 4 23.219 -2.508 1.371 25 2HG LYS 4 HG3 LYS 4 24.159 -2.033 -0.046 26 1HD LYS 4 HD2 LYS 4 24.267 -0.330 1.668 27 2HD LYS 4 HD3 LYS 4 23.526 0.308 0.202 28 1HE LYS 4 HE2 LYS 4 21.820 -0.727 2.513 29 2HE LYS 4 HE3 LYS 4 22.514 0.900 2.542 30 1HZ LYS 4 HZ1 LYS 4 21.410 1.405 0.518 31 2HZ LYS 4 HZ2 LYS 4 20.732 -0.093 0.442 32 3HZ LYS 4 HZ3 LYS 4 20.327 0.930 1.664 33 H GLU 5 H GLU 5 21.399 -2.261 -3.181 34 HA GLU 5 HA GLU 5 18.597 -3.018 -3.344 35 1HB GLU 5 HB2 GLU 5 20.490 -1.683 -5.328 36 2HB GLU 5 HB3 GLU 5 18.730 -1.749 -5.472 37 1HG GLU 5 HG2 GLU 5 18.456 -0.348 -3.496 38 2HG GLU 5 HG3 GLU 5 20.188 -0.399 -3.140 39 H ILE 6 H ILE 6 19.444 -5.376 -3.102 40 HA ILE 6 HA ILE 6 20.667 -6.630 -5.366 41 HB ILE 6 HB ILE 6 20.056 -8.765 -4.215 42 1HG1 ILE 6 2HG1 ILE 6 19.141 -6.946 -1.926 43 2HG1 ILE 6 3HG1 ILE 6 18.042 -7.875 -2.944 44 1HG2 ILE 6 1HG2 ILE 6 21.797 -8.436 -2.545 45 2HG2 ILE 6 2HG2 ILE 6 22.202 -7.493 -3.974 46 3HG2 ILE 6 3HG2 ILE 6 21.518 -6.683 -2.551 47 1HD1 ILE 6 1HD1 ILE 6 20.200 -8.986 -1.100 48 2HD1 ILE 6 2HD1 ILE 6 18.452 -9.081 -0.894 49 3HD1 ILE 6 3HD1 ILE 6 19.231 -9.972 -2.220 50 H ARG 7 H ARG 7 19.342 -5.663 -6.965 51 HA ARG 7 HA ARG 7 16.644 -6.493 -7.501 52 1HB ARG 7 HB2 ARG 7 17.162 -5.457 -9.786 53 2HB ARG 7 HB3 ARG 7 17.176 -4.450 -8.354 54 1HG ARG 7 HG2 ARG 7 18.911 -3.846 -9.899 55 2HG ARG 7 HG3 ARG 7 19.558 -4.250 -8.339 56 1HD ARG 7 HD2 ARG 7 19.594 -6.014 -10.832 57 2HD ARG 7 HD3 ARG 7 20.947 -5.031 -10.281 58 HE ARG 7 HE ARG 7 20.229 -7.650 -9.432 59 1HH1 ARG 7 1HH1 ARG 7 21.532 -4.665 -8.076 60 2HH1 ARG 7 2HH1 ARG 7 22.389 -5.436 -6.773 61 1HH2 ARG 7 1HH2 ARG 7 22.457 -7.798 -6.735 62 2HH2 ARG 7 2HH2 ARG 7 21.475 -8.711 -7.853 63 H ILE 8 H ILE 8 17.567 -8.845 -6.995 64 HA ILE 8 HA ILE 8 17.585 -10.250 -9.634 65 HB ILE 8 HB ILE 8 19.813 -10.327 -8.918 66 1HG1 ILE 8 2HG1 ILE 8 18.511 -13.015 -8.312 67 2HG1 ILE 8 3HG1 ILE 8 18.736 -12.328 -9.928 68 1HG2 ILE 8 1HG2 ILE 8 20.682 -11.127 -6.861 69 2HG2 ILE 8 2HG2 ILE 8 19.488 -9.910 -6.442 70 3HG2 ILE 8 3HG2 ILE 8 19.100 -11.635 -6.270 71 1HD1 ILE 8 1HD1 ILE 8 21.208 -12.265 -9.527 72 2HD1 ILE 8 2HD1 ILE 8 20.943 -13.105 -7.979 73 3HD1 ILE 8 3HD1 ILE 8 20.512 -13.898 -9.501 74 HA PRO 9 HA PRO 9 13.746 -10.889 -7.224 75 1HB PRO 9 HB2 PRO 9 13.317 -12.395 -9.821 76 2HB PRO 9 HB3 PRO 9 12.091 -11.548 -8.838 77 1HG PRO 9 HG2 PRO 9 13.189 -10.242 -10.939 78 2HG PRO 9 HG3 PRO 9 13.087 -9.395 -9.366 79 1HD PRO 9 HD2 PRO 9 15.481 -10.756 -10.606 80 2HD PRO 9 HD3 PRO 9 15.396 -9.200 -9.730 81 H THR 10 H THR 10 13.072 -12.518 -5.864 82 HA THR 10 HA THR 10 13.406 -15.285 -6.479 83 HB THR 10 HB THR 10 14.781 -14.555 -3.900 84 HG1 THR 10 HG1 THR 10 15.924 -14.242 -6.464 85 1HG2 THR 10 1HG2 THR 10 16.062 -16.590 -4.418 86 2HG2 THR 10 2HG2 THR 10 14.317 -16.910 -4.483 87 3HG2 THR 10 3HG2 THR 10 15.247 -16.718 -5.991 88 H LEU 11 H LEU 11 12.014 -16.504 -5.066 89 HA LEU 11 HA LEU 11 10.038 -14.831 -3.642 90 1HB LEU 11 HB2 LEU 11 10.054 -17.786 -4.352 91 2HB LEU 11 HB3 LEU 11 8.715 -16.913 -3.596 92 HG LEU 11 HG LEU 11 9.845 -16.359 -6.384 93 1HD1 LEU 11 1HD1 LEU 11 8.545 -18.452 -6.218 94 2HD1 LEU 11 2HD1 LEU 11 7.186 -17.554 -5.504 95 3HD1 LEU 11 3HD1 LEU 11 7.700 -17.221 -7.174 96 1HD2 LEU 11 1HD2 LEU 11 7.758 -14.889 -6.533 97 2HD2 LEU 11 2HD2 LEU 11 7.627 -15.038 -4.766 98 3HD2 LEU 11 3HD2 LEU 11 9.057 -14.267 -5.512 99 H GLU 12 H GLU 12 9.431 -15.112 -1.531 100 HA GLU 12 HA GLU 12 11.129 -16.808 0.219 101 1HB GLU 12 HB2 GLU 12 10.490 -13.851 0.636 102 2HB GLU 12 HB3 GLU 12 11.311 -14.915 1.791 103 1HG GLU 12 HG2 GLU 12 13.129 -15.289 0.087 104 2HG GLU 12 HG3 GLU 12 12.351 -14.089 -0.960 105 H GLU 13 H GLU 13 10.017 -17.538 2.028 106 HA GLU 13 HA GLU 13 7.113 -17.467 1.851 107 1HB GLU 13 HB2 GLU 13 7.083 -18.979 3.634 108 2HB GLU 13 HB3 GLU 13 8.335 -19.529 2.536 109 1HG GLU 13 HG2 GLU 13 8.938 -17.958 5.110 110 2HG GLU 13 HG3 GLU 13 8.759 -19.697 5.046 111 H CYS 14 H CYS 14 5.720 -16.346 3.302 112 HA CYS 14 HA CYS 14 6.921 -13.943 4.456 113 1HB CYS 14 HB2 CYS 14 4.739 -13.909 3.344 114 2HB CYS 14 HB3 CYS 14 4.125 -15.013 4.567 115 H ASP 15 H ASP 15 8.348 -14.872 5.910 116 HA ASP 15 HA ASP 15 8.153 -16.730 7.877 117 1HB ASP 15 HB2 ASP 15 9.856 -15.541 9.082 118 2HB ASP 15 HB3 ASP 15 10.159 -15.328 7.355 119 H VAL 16 H VAL 16 6.881 -13.438 8.082 120 HA VAL 16 HA VAL 16 6.011 -13.330 10.739 121 HB VAL 16 HB VAL 16 5.043 -12.080 8.155 122 1HG1 VAL 16 1HG1 VAL 16 3.996 -11.525 10.944 123 2HG1 VAL 16 2HG1 VAL 16 3.776 -10.443 9.548 124 3HG1 VAL 16 3HG1 VAL 16 3.085 -12.067 9.506 125 1HG2 VAL 16 1HG2 VAL 16 6.512 -10.974 10.594 126 2HG2 VAL 16 2HG2 VAL 16 7.276 -11.408 9.055 127 3HG2 VAL 16 3HG2 VAL 16 6.116 -10.073 9.122 128 H CYS 17 H CYS 17 4.257 -14.787 7.928 129 HA CYS 17 HA CYS 17 2.211 -15.868 9.862 130 1HB CYS 17 HB2 CYS 17 0.916 -16.444 7.953 131 2HB CYS 17 HB3 CYS 17 1.209 -14.700 8.096 132 H HIS 18 H HIS 18 5.171 -16.711 9.197 133 HA HIS 18 HA HIS 18 6.373 -18.575 9.011 134 1HB HIS 18 HB2 HIS 18 3.911 -20.043 9.970 135 2HB HIS 18 HB3 HIS 18 5.606 -20.446 10.270 136 HD1 HIS 18 HD1 HIS 18 6.171 -17.196 11.152 137 HD2 HIS 18 HD2 HIS 18 3.220 -19.869 12.522 138 HE1 HIS 18 HE1 HIS 18 5.344 -16.293 13.383 139 H GLY 19 H GLY 19 5.075 -17.671 6.660 140 1HA GLY 19 HA2 GLY 19 4.983 -18.367 4.497 141 2HA GLY 19 HA3 GLY 19 5.458 -19.991 4.997 142 H SER 20 H SER 20 2.613 -19.181 6.752 143 HA SER 20 HA SER 20 1.103 -21.016 5.030 144 1HB SER 20 HB2 SER 20 -0.653 -20.842 6.658 145 2HB SER 20 HB3 SER 20 0.873 -21.247 7.442 146 HG SER 20 HG SER 20 1.005 -19.131 8.208 147 H GLY 21 H GLY 21 0.076 -17.990 6.455 148 1HA GLY 21 HA2 GLY 21 -0.333 -16.185 4.476 149 2HA GLY 21 HA3 GLY 21 -1.647 -17.315 4.159 150 H ALA 22 H ALA 22 -1.665 -17.781 7.342 151 HA ALA 22 HA ALA 22 -3.673 -15.699 7.732 152 1HB ALA 22 HB1 ALA 22 -4.262 -16.857 9.741 153 2HB ALA 22 HB2 ALA 22 -4.059 -18.027 8.428 154 3HB ALA 22 HB3 ALA 22 -2.779 -17.838 9.662 155 H LYS 23 H LYS 23 -3.641 -14.156 9.545 156 HA LYS 23 HA LYS 23 -1.239 -12.746 9.723 157 1HB LYS 23 HB2 LYS 23 -3.382 -12.632 11.865 158 2HB LYS 23 HB3 LYS 23 -2.228 -11.379 11.402 159 1HG LYS 23 HG2 LYS 23 -3.335 -10.978 9.304 160 2HG LYS 23 HG3 LYS 23 -4.446 -12.304 9.597 161 1HD LYS 23 HD2 LYS 23 -5.579 -10.266 10.140 162 2HD LYS 23 HD3 LYS 23 -5.309 -11.188 11.628 163 1HE LYS 23 HE2 LYS 23 -4.918 -8.764 11.925 164 2HE LYS 23 HE3 LYS 23 -3.465 -9.700 12.272 165 1HZ LYS 23 HZ1 LYS 23 -4.030 -8.300 9.747 166 2HZ LYS 23 HZ2 LYS 23 -3.028 -7.760 10.939 167 3HZ LYS 23 HZ3 LYS 23 -2.648 -9.126 10.104 168 HA PRO 24 HA PRO 24 1.518 -14.688 12.499 169 1HB PRO 24 HB2 PRO 24 2.257 -12.622 14.282 170 2HB PRO 24 HB3 PRO 24 2.971 -12.968 12.688 171 1HG PRO 24 HG2 PRO 24 0.766 -11.018 13.362 172 2HG PRO 24 HG3 PRO 24 2.185 -10.741 12.312 173 1HD PRO 24 HD2 PRO 24 -0.148 -11.270 11.195 174 2HD PRO 24 HD3 PRO 24 1.238 -12.191 10.597 175 H GLY 25 H GLY 25 1.368 -15.954 14.301 176 1HA GLY 25 HA2 GLY 25 0.677 -16.792 16.324 177 2HA GLY 25 HA3 GLY 25 -0.105 -15.250 16.709 178 H THR 26 H THR 26 -1.857 -14.892 14.766 179 HA THR 26 HA THR 26 -4.101 -16.541 15.332 180 HB THR 26 HB THR 26 -3.803 -14.516 13.085 181 HG1 THR 26 HG1 THR 26 -2.871 -13.453 14.760 182 1HG2 THR 26 1HG2 THR 26 -6.017 -15.675 13.438 183 2HG2 THR 26 2HG2 THR 26 -6.054 -15.016 15.089 184 3HG2 THR 26 3HG2 THR 26 -6.089 -13.914 13.693 185 H GLN 27 H GLN 27 -2.845 -18.549 14.646 186 HA GLN 27 HA GLN 27 -1.998 -19.089 12.092 187 1HB GLN 27 HB2 GLN 27 -2.299 -21.497 12.688 188 2HB GLN 27 HB3 GLN 27 -1.530 -20.566 13.967 189 1HG GLN 27 HG2 GLN 27 -3.328 -20.758 15.401 190 2HG GLN 27 HG3 GLN 27 -4.537 -20.835 14.122 191 1HE2 GLN 27 1HE2 GLN 27 -4.297 -24.357 13.610 192 2HE2 GLN 27 2HE2 GLN 27 -4.698 -22.861 12.787 193 HA PRO 28 HA PRO 28 -5.438 -19.665 9.361 194 1HB PRO 28 HB2 PRO 28 -4.404 -22.420 8.751 195 2HB PRO 28 HB3 PRO 28 -4.871 -21.121 7.601 196 1HG PRO 28 HG2 PRO 28 -2.256 -21.696 8.103 197 2HG PRO 28 HG3 PRO 28 -2.787 -19.991 7.974 198 1HD PRO 28 HD2 PRO 28 -2.308 -21.639 10.454 199 2HD PRO 28 HD3 PRO 28 -1.795 -19.963 10.104 200 H GLN 29 H GLN 29 -7.525 -20.629 9.434 201 HA GLN 29 HA GLN 29 -8.007 -22.150 11.915 202 1HB GLN 29 HB2 GLN 29 -9.942 -21.091 9.832 203 2HB GLN 29 HB3 GLN 29 -10.344 -21.684 11.449 204 1HG GLN 29 HG2 GLN 29 -8.611 -19.215 10.841 205 2HG GLN 29 HG3 GLN 29 -10.313 -19.226 11.279 206 1HE2 GLN 29 1HE2 GLN 29 -7.554 -19.648 14.247 207 2HE2 GLN 29 2HE2 GLN 29 -6.990 -19.624 12.594 208 H THR 30 H THR 30 -8.071 -24.372 11.950 209 HA THR 30 HA THR 30 -7.611 -26.040 9.833 210 HB THR 30 HB THR 30 -9.427 -26.713 12.195 211 HG1 THR 30 HG1 THR 30 -7.454 -26.892 13.373 212 1HG2 THR 30 1HG2 THR 30 -7.192 -28.250 10.790 213 2HG2 THR 30 2HG2 THR 30 -8.169 -28.845 12.151 214 3HG2 THR 30 3HG2 THR 30 -8.938 -28.532 10.585 215 H CYS 31 H CYS 31 -8.860 -26.545 8.000 216 HA CYS 31 HA CYS 31 -11.507 -25.528 7.743 217 1HB CYS 31 HB2 CYS 31 -10.007 -26.026 5.830 218 2HB CYS 31 HB3 CYS 31 -10.208 -27.746 6.160 219 HA PRO 32 HA PRO 32 -13.197 -28.930 10.214 220 1HB PRO 32 HB2 PRO 32 -15.813 -28.211 10.372 221 2HB PRO 32 HB3 PRO 32 -14.499 -27.347 11.232 222 1HG PRO 32 HG2 PRO 32 -15.769 -26.571 8.587 223 2HG PRO 32 HG3 PRO 32 -15.506 -25.540 10.021 224 1HD PRO 32 HD2 PRO 32 -13.760 -25.584 7.932 225 2HD PRO 32 HD3 PRO 32 -13.190 -25.399 9.615 226 H THR 33 H THR 33 -14.720 -27.875 7.117 227 HA THR 33 HA THR 33 -16.330 -29.912 6.474 228 HB THR 33 HB THR 33 -14.468 -28.790 4.382 229 HG1 THR 33 HG1 THR 33 -15.645 -26.785 4.646 230 1HG2 THR 33 1HG2 THR 33 -16.531 -30.083 3.760 231 2HG2 THR 33 2HG2 THR 33 -17.512 -28.870 4.607 232 3HG2 THR 33 3HG2 THR 33 -16.566 -28.408 3.176 233 H CYS 34 H CYS 34 -12.778 -29.965 6.207 234 HA CYS 34 HA CYS 34 -12.866 -32.869 5.413 235 1HB CYS 34 HB2 CYS 34 -10.583 -32.433 4.514 236 2HB CYS 34 HB3 CYS 34 -11.905 -31.762 3.591 237 H HIS 35 H HIS 35 -12.793 -31.331 8.156 238 HA HIS 35 HA HIS 35 -11.685 -31.483 10.151 239 1HB HIS 35 HB2 HIS 35 -11.150 -34.317 9.170 240 2HB HIS 35 HB3 HIS 35 -11.130 -33.763 10.844 241 HD1 HIS 35 HD1 HIS 35 -14.125 -32.156 9.561 242 HD2 HIS 35 HD2 HIS 35 -12.963 -36.088 10.528 243 HE1 HIS 35 HE1 HIS 35 -16.263 -33.475 9.947 244 H GLY 36 H GLY 36 -10.153 -30.117 8.467 245 1HA GLY 36 HA2 GLY 36 -8.050 -29.362 8.047 246 2HA GLY 36 HA3 GLY 36 -7.520 -30.299 9.450 247 H SER 37 H SER 37 -8.817 -32.503 7.228 248 HA SER 37 HA SER 37 -6.128 -33.429 6.544 249 1HB SER 37 HB2 SER 37 -8.835 -34.736 6.106 250 2HB SER 37 HB3 SER 37 -7.239 -35.496 6.041 251 HG SER 37 HG SER 37 -8.286 -34.185 8.369 252 H GLY 38 H GLY 38 -8.090 -31.254 5.049 253 1HA GLY 38 HA2 GLY 38 -7.943 -30.320 2.954 254 2HA GLY 38 HA3 GLY 38 -6.662 -31.466 2.576 255 H GLN 39 H GLN 39 -9.089 -33.535 3.349 256 HA GLN 39 HA GLN 39 -10.295 -33.494 0.631 257 1HB GLN 39 HB2 GLN 39 -10.124 -35.916 0.555 258 2HB GLN 39 HB3 GLN 39 -8.560 -35.123 0.646 259 1HG GLN 39 HG2 GLN 39 -8.037 -36.606 2.207 260 2HG GLN 39 HG3 GLN 39 -9.000 -35.662 3.333 261 1HE2 GLN 39 1HE2 GLN 39 -11.709 -38.077 3.364 262 2HE2 GLN 39 2HE2 GLN 39 -11.372 -36.359 3.544 263 H VAL 40 H VAL 40 -12.426 -33.677 0.560 264 HA VAL 40 HA VAL 40 -13.971 -33.941 3.099 265 HB VAL 40 HB VAL 40 -15.911 -33.467 1.568 266 1HG1 VAL 40 1HG1 VAL 40 -13.736 -31.355 1.543 267 2HG1 VAL 40 2HG1 VAL 40 -15.477 -31.089 1.294 268 3HG1 VAL 40 3HG1 VAL 40 -14.879 -31.666 2.868 269 1HG2 VAL 40 1HG2 VAL 40 -14.796 -34.211 -0.578 270 2HG2 VAL 40 2HG2 VAL 40 -15.579 -32.628 -0.665 271 3HG2 VAL 40 3HG2 VAL 40 -13.820 -32.729 -0.527 272 H GLN 41 H GLN 41 -15.372 -35.757 3.410 273 HA GLN 41 HA GLN 41 -14.908 -38.021 1.530 274 1HB GLN 41 HB2 GLN 41 -14.403 -38.330 3.910 275 2HB GLN 41 HB3 GLN 41 -16.132 -38.129 4.272 276 1HG GLN 41 HG2 GLN 41 -16.646 -40.062 2.756 277 2HG GLN 41 HG3 GLN 41 -14.934 -40.198 2.336 278 1HE2 GLN 41 1HE2 GLN 41 -15.071 -42.793 4.789 279 2HE2 GLN 41 2HE2 GLN 41 -15.224 -42.469 3.064 280 H MET 42 H MET 42 -16.356 -38.075 -0.059 281 HA MET 42 HA MET 42 -19.003 -36.880 0.138 282 1HB MET 42 HB2 MET 42 -17.561 -36.822 -1.929 283 2HB MET 42 HB3 MET 42 -17.753 -38.575 -2.077 284 1HG MET 42 HG2 MET 42 -19.363 -37.466 -3.522 285 2HG MET 42 HG3 MET 42 -20.236 -38.231 -2.193 286 1HE MET 42 HE1 MET 42 -21.769 -36.351 -3.961 287 2HE MET 42 HE2 MET 42 -22.571 -35.270 -2.791 288 3HE MET 42 HE3 MET 42 -22.429 -37.009 -2.441 289 H ARG 43 H ARG 43 -19.426 -38.163 2.015 290 HA ARG 43 HA ARG 43 -19.767 -41.002 2.044 291 1HB ARG 43 HB2 ARG 43 -20.801 -40.600 4.235 292 2HB ARG 43 HB3 ARG 43 -19.247 -39.808 3.992 293 1HG ARG 43 HG2 ARG 43 -20.900 -37.736 3.265 294 2HG ARG 43 HG3 ARG 43 -21.963 -38.599 4.368 295 1HD ARG 43 HD2 ARG 43 -20.281 -38.473 6.143 296 2HD ARG 43 HD3 ARG 43 -19.084 -37.782 5.048 297 HE ARG 43 HE ARG 43 -21.327 -36.438 6.338 298 1HH1 ARG 43 1HH1 ARG 43 -18.971 -36.212 3.635 299 2HH1 ARG 43 2HH1 ARG 43 -19.115 -34.485 3.543 300 1HH2 ARG 43 1HH2 ARG 43 -21.466 -34.193 6.162 301 2HH2 ARG 43 2HH2 ARG 43 -20.534 -33.322 4.975 302 H GLN 44 H GLN 44 -20.960 -40.632 -0.208 303 HA GLN 44 HA GLN 44 -23.864 -40.314 0.022 304 1HB GLN 44 HB2 GLN 44 -23.861 -40.698 -2.370 305 2HB GLN 44 HB3 GLN 44 -22.634 -39.514 -1.916 306 1HG GLN 44 HG2 GLN 44 -21.198 -41.897 -1.862 307 2HG GLN 44 HG3 GLN 44 -22.342 -42.179 -3.172 308 1HE2 GLN 44 1HE2 GLN 44 -19.061 -40.203 -4.065 309 2HE2 GLN 44 2HE2 GLN 44 -19.268 -41.372 -2.762 310 H GLY 45 H GLY 45 -23.618 -41.959 1.850 311 1HA GLY 45 HA2 GLY 45 -24.222 -44.026 2.666 312 2HA GLY 45 HA3 GLY 45 -24.803 -44.451 1.045 313 H PHE 46 H PHE 46 -23.801 -46.282 0.390 314 HA PHE 46 HA PHE 46 -21.577 -47.480 1.502 315 1HB PHE 46 HB2 PHE 46 -22.380 -47.814 -1.407 316 2HB PHE 46 HB3 PHE 46 -21.648 -49.001 -0.343 317 HD1 PHE 46 HD1 PHE 46 -24.716 -47.861 -1.748 318 HD2 PHE 46 HD2 PHE 46 -23.071 -49.603 1.844 319 HE1 PHE 46 HE1 PHE 46 -26.980 -48.592 -1.060 320 HE2 PHE 46 HE2 PHE 46 -25.342 -50.337 2.519 321 HZ PHE 46 HZ PHE 46 -27.299 -49.828 1.073 322 H PHE 47 H PHE 47 -21.644 -45.449 -1.458 323 HA PHE 47 HA PHE 47 -18.825 -45.904 -1.987 324 1HB PHE 47 HB2 PHE 47 -20.590 -43.829 -3.292 325 2HB PHE 47 HB3 PHE 47 -19.205 -44.668 -3.965 326 HD1 PHE 47 HD1 PHE 47 -19.452 -47.292 -4.217 327 HD2 PHE 47 HD2 PHE 47 -22.804 -44.643 -3.585 328 HE1 PHE 47 HE1 PHE 47 -21.016 -49.097 -4.882 329 HE2 PHE 47 HE2 PHE 47 -24.351 -46.443 -4.272 330 HZ PHE 47 HZ PHE 47 -23.467 -48.682 -4.901 331 H ALA 48 H ALA 48 -18.602 -45.057 0.449 332 HA ALA 48 HA ALA 48 -18.498 -42.166 0.708 333 1HB ALA 48 HB1 ALA 48 -17.475 -44.335 2.576 334 2HB ALA 48 HB2 ALA 48 -17.742 -42.623 2.979 335 3HB ALA 48 HB3 ALA 48 -19.118 -43.661 2.575 336 H VAL 49 H VAL 49 -17.075 -42.281 -1.373 337 HA VAL 49 HA VAL 49 -14.173 -42.423 -0.701 338 HB VAL 49 HB VAL 49 -13.931 -41.703 -3.143 339 1HG1 VAL 49 1HG1 VAL 49 -14.280 -44.016 -3.899 340 2HG1 VAL 49 2HG1 VAL 49 -13.495 -43.909 -2.307 341 3HG1 VAL 49 3HG1 VAL 49 -15.216 -44.348 -2.415 342 1HG2 VAL 49 1HG2 VAL 49 -16.831 -42.596 -3.401 343 2HG2 VAL 49 2HG2 VAL 49 -16.315 -40.892 -3.433 344 3HG2 VAL 49 3HG2 VAL 49 -15.738 -42.026 -4.667 345 H GLN 50 H GLN 50 -12.910 -40.442 -1.697 346 HA GLN 50 HA GLN 50 -14.196 -38.034 -0.518 347 1HB GLN 50 HB2 GLN 50 -11.939 -37.364 0.191 348 2HB GLN 50 HB3 GLN 50 -12.346 -38.951 0.848 349 1HG GLN 50 HG2 GLN 50 -10.863 -38.742 -1.791 350 2HG GLN 50 HG3 GLN 50 -10.002 -38.434 -0.297 351 1HE2 GLN 50 1HE2 GLN 50 -10.048 -41.826 0.824 352 2HE2 GLN 50 2HE2 GLN 50 -9.822 -40.140 1.296 353 H GLN 51 H GLN 51 -13.116 -35.990 -1.093 354 HA GLN 51 HA GLN 51 -12.218 -35.781 -3.909 355 1HB GLN 51 HB2 GLN 51 -14.335 -33.938 -2.753 356 2HB GLN 51 HB3 GLN 51 -13.779 -34.015 -4.413 357 1HG GLN 51 HG2 GLN 51 -14.979 -36.061 -4.824 358 2HG GLN 51 HG3 GLN 51 -15.341 -36.300 -3.109 359 1HE2 GLN 51 1HE2 GLN 51 -17.832 -33.719 -2.893 360 2HE2 GLN 51 2HE2 GLN 51 -16.492 -34.400 -1.993 361 H THR 52 H THR 52 -10.951 -33.712 -4.130 362 HA THR 52 HA THR 52 -9.597 -32.932 -1.724 363 HB THR 52 HB THR 52 -9.836 -31.422 -4.373 364 HG1 THR 52 HG1 THR 52 -8.088 -33.532 -3.622 365 1HG2 THR 52 1HG2 THR 52 -8.734 -30.141 -2.588 366 2HG2 THR 52 2HG2 THR 52 -7.665 -31.514 -2.226 367 3HG2 THR 52 3HG2 THR 52 -7.535 -30.665 -3.785 368 H CYS 53 H CYS 53 -10.110 -31.184 -0.297 369 HA CYS 53 HA CYS 53 -12.790 -30.164 -0.430 370 1HB CYS 53 HB2 CYS 53 -11.529 -30.546 1.665 371 2HB CYS 53 HB3 CYS 53 -10.469 -29.200 1.249 372 HA PRO 54 HA PRO 54 -11.421 -26.867 -3.260 373 1HB PRO 54 HB2 PRO 54 -13.808 -25.685 -3.827 374 2HB PRO 54 HB3 PRO 54 -13.338 -27.287 -4.467 375 1HG PRO 54 HG2 PRO 54 -15.090 -26.717 -2.059 376 2HG PRO 54 HG3 PRO 54 -15.409 -27.836 -3.412 377 1HD PRO 54 HD2 PRO 54 -14.349 -28.687 -1.050 378 2HD PRO 54 HD3 PRO 54 -13.866 -29.410 -2.610 379 H HIS 55 H HIS 55 -13.613 -26.273 -0.509 380 HA HIS 55 HA HIS 55 -13.526 -23.565 -0.234 381 1HB HIS 55 HB2 HIS 55 -14.828 -25.218 1.126 382 2HB HIS 55 HB3 HIS 55 -13.371 -25.534 2.080 383 HD1 HIS 55 HD1 HIS 55 -13.011 -22.026 1.729 384 HD2 HIS 55 HD2 HIS 55 -15.754 -24.530 3.716 385 HE1 HIS 55 HE1 HIS 55 -14.145 -20.601 3.530 386 H CYS 56 H CYS 56 -10.997 -25.818 0.846 387 HA CYS 56 HA CYS 56 -9.195 -23.499 1.482 388 1HB CYS 56 HB2 CYS 56 -8.022 -25.031 2.990 389 2HB CYS 56 HB3 CYS 56 -9.682 -24.748 3.505 390 H GLN 57 H GLN 57 -9.774 -25.078 -1.130 391 HA GLN 57 HA GLN 57 -8.616 -26.031 -2.834 392 1HB GLN 57 HB2 GLN 57 -6.413 -24.179 -1.818 393 2HB GLN 57 HB3 GLN 57 -6.623 -24.798 -3.457 394 1HG GLN 57 HG2 GLN 57 -7.395 -22.579 -3.523 395 2HG GLN 57 HG3 GLN 57 -8.854 -23.574 -3.551 396 1HE2 GLN 57 1HE2 GLN 57 -10.170 -22.067 -0.602 397 2HE2 GLN 57 2HE2 GLN 57 -10.424 -23.114 -1.978 398 H GLY 58 H GLY 58 -8.582 -27.779 -0.707 399 1HA GLY 58 HA2 GLY 58 -7.572 -29.735 -0.105 400 2HA GLY 58 HA3 GLY 58 -6.339 -29.457 -1.334 401 H ARG 59 H ARG 59 -6.106 -26.742 0.635 402 HA ARG 59 HA ARG 59 -3.674 -27.736 1.878 403 1HB ARG 59 HB2 ARG 59 -5.178 -25.141 2.176 404 2HB ARG 59 HB3 ARG 59 -3.507 -25.420 2.693 405 1HG ARG 59 HG2 ARG 59 -2.806 -25.775 0.367 406 2HG ARG 59 HG3 ARG 59 -4.455 -25.495 -0.210 407 1HD ARG 59 HD2 ARG 59 -2.792 -23.425 1.309 408 2HD ARG 59 HD3 ARG 59 -2.972 -23.515 -0.437 409 HE ARG 59 HE ARG 59 -5.149 -22.774 -0.365 410 1HH1 ARG 59 1HH1 ARG 59 -3.985 -23.163 2.984 411 2HH1 ARG 59 2HH1 ARG 59 -5.510 -22.651 3.648 412 1HH2 ARG 59 1HH2 ARG 59 -7.004 -21.884 0.568 413 2HH2 ARG 59 2HH2 ARG 59 -7.153 -21.817 2.317 414 H GLY 60 H GLY 60 -6.891 -27.979 2.845 415 1HA GLY 60 HA2 GLY 60 -7.942 -28.493 4.833 416 2HA GLY 60 HA3 GLY 60 -6.352 -28.920 5.456 417 H THR 61 H THR 61 -6.269 -25.640 4.507 418 HA THR 61 HA THR 61 -6.849 -24.683 7.271 419 HB THR 61 HB THR 61 -4.786 -23.198 6.639 420 HG1 THR 61 HG1 THR 61 -4.182 -25.500 5.097 421 1HG2 THR 61 1HG2 THR 61 -3.248 -24.874 7.600 422 2HG2 THR 61 2HG2 THR 61 -4.794 -24.888 8.470 423 3HG2 THR 61 3HG2 THR 61 -4.427 -26.163 7.292 424 H LEU 62 H LEU 62 -8.028 -22.894 7.426 425 HA LEU 62 HA LEU 62 -8.776 -21.430 4.940 426 1HB LEU 62 HB2 LEU 62 -10.132 -21.656 7.640 427 2HB LEU 62 HB3 LEU 62 -10.698 -20.647 6.309 428 HG LEU 62 HG LEU 62 -10.392 -23.680 6.156 429 1HD1 LEU 62 1HD1 LEU 62 -12.123 -23.030 7.786 430 2HD1 LEU 62 2HD1 LEU 62 -12.877 -21.966 6.579 431 3HD1 LEU 62 3HD1 LEU 62 -12.859 -23.722 6.327 432 1HD2 LEU 62 1HD2 LEU 62 -11.837 -23.427 4.139 433 2HD2 LEU 62 2HD2 LEU 62 -11.740 -21.659 4.308 434 3HD2 LEU 62 3HD2 LEU 62 -10.294 -22.599 3.918 435 H ILE 63 H ILE 63 -7.865 -19.583 4.597 436 HA ILE 63 HA ILE 63 -6.397 -18.073 6.610 437 HB ILE 63 HB ILE 63 -7.099 -17.431 3.710 438 1HG1 ILE 63 2HG1 ILE 63 -5.873 -19.580 3.808 439 2HG1 ILE 63 3HG1 ILE 63 -4.962 -18.287 3.037 440 1HG2 ILE 63 1HG2 ILE 63 -4.966 -16.041 3.874 441 2HG2 ILE 63 2HG2 ILE 63 -6.351 -15.414 4.759 442 3HG2 ILE 63 3HG2 ILE 63 -5.062 -16.248 5.637 443 1HD1 ILE 63 1HD1 ILE 63 -3.661 -17.941 5.095 444 2HD1 ILE 63 2HD1 ILE 63 -4.565 -19.252 5.895 445 3HD1 ILE 63 3HD1 ILE 63 -3.521 -19.601 4.502 446 H LYS 64 H LYS 64 -8.552 -18.132 7.872 447 HA LYS 64 HA LYS 64 -10.785 -16.547 7.156 448 1HB LYS 64 HB2 LYS 64 -10.682 -18.099 9.085 449 2HB LYS 64 HB3 LYS 64 -9.538 -17.013 9.893 450 1HG LYS 64 HG2 LYS 64 -11.331 -15.225 9.925 451 2HG LYS 64 HG3 LYS 64 -12.416 -16.359 9.114 452 1HD LYS 64 HD2 LYS 64 -12.980 -16.391 11.429 453 2HD LYS 64 HD3 LYS 64 -12.168 -17.918 11.090 454 1HE LYS 64 HE2 LYS 64 -10.014 -16.839 12.032 455 2HE LYS 64 HE3 LYS 64 -10.998 -15.428 12.440 456 1HZ LYS 64 HZ1 LYS 64 -11.303 -18.162 13.472 457 2HZ LYS 64 HZ2 LYS 64 -10.770 -16.843 14.291 458 3HZ LYS 64 HZ3 LYS 64 -12.343 -16.919 13.804 459 H ASP 65 H ASP 65 -7.780 -15.713 8.819 460 HA ASP 65 HA ASP 65 -8.307 -12.788 8.583 461 1HB ASP 65 HB2 ASP 65 -6.815 -12.578 10.488 462 2HB ASP 65 HB3 ASP 65 -8.222 -13.574 10.856 463 HA PRO 66 HA PRO 66 -4.910 -13.746 5.643 464 1HB PRO 66 HB2 PRO 66 -5.077 -11.545 4.025 465 2HB PRO 66 HB3 PRO 66 -6.207 -12.927 3.926 466 1HG PRO 66 HG2 PRO 66 -6.614 -10.314 5.397 467 2HG PRO 66 HG3 PRO 66 -7.740 -11.120 4.265 468 1HD PRO 66 HD2 PRO 66 -7.967 -11.372 6.954 469 2HD PRO 66 HD3 PRO 66 -8.307 -12.770 5.888 470 H CYS 67 H CYS 67 -2.810 -13.403 6.011 471 HA CYS 67 HA CYS 67 -1.769 -11.459 7.848 472 1HB CYS 67 HB2 CYS 67 -0.691 -13.604 7.405 473 2HB CYS 67 HB3 CYS 67 -0.491 -13.190 5.712 474 H ASN 68 H ASN 68 -2.233 -9.382 7.210 475 HA ASN 68 HA ASN 68 -2.502 -8.159 4.827 476 1HB ASN 68 HB2 ASN 68 -1.911 -6.065 5.860 477 2HB ASN 68 HB3 ASN 68 -2.853 -7.053 6.983 478 1HD2 ASN 68 1HD2 ASN 68 0.155 -5.446 8.693 479 2HD2 ASN 68 2HD2 ASN 68 -1.084 -4.782 7.646 480 H LYS 69 H LYS 69 0.690 -8.540 6.413 481 HA LYS 69 HA LYS 69 2.342 -7.206 4.695 482 1HB LYS 69 HB2 LYS 69 3.059 -8.314 6.761 483 2HB LYS 69 HB3 LYS 69 2.892 -9.903 5.991 484 1HG LYS 69 HG2 LYS 69 4.664 -9.345 4.375 485 2HG LYS 69 HG3 LYS 69 4.780 -7.702 5.030 486 1HD LYS 69 HD2 LYS 69 5.565 -8.571 7.180 487 2HD LYS 69 HD3 LYS 69 5.295 -10.240 6.641 488 1HE LYS 69 HE2 LYS 69 6.984 -9.916 4.821 489 2HE LYS 69 HE3 LYS 69 7.285 -8.273 5.417 490 1HZ LYS 69 HZ1 LYS 69 7.987 -9.248 7.496 491 2HZ LYS 69 HZ2 LYS 69 7.740 -10.768 6.907 492 3HZ LYS 69 HZ3 LYS 69 8.890 -9.804 6.237 493 H CYS 70 H CYS 70 0.952 -10.444 4.062 494 HA CYS 70 HA CYS 70 2.117 -10.344 1.283 495 1HB CYS 70 HB2 CYS 70 2.129 -12.777 1.348 496 2HB CYS 70 HB3 CYS 70 3.141 -12.105 2.627 497 H HIS 71 H HIS 71 -0.514 -9.383 2.599 498 HA HIS 71 HA HIS 71 -2.757 -9.439 2.232 499 1HB HIS 71 HB2 HIS 71 -1.830 -10.046 -0.600 500 2HB HIS 71 HB3 HIS 71 -3.412 -9.409 -0.143 501 HD1 HIS 71 HD1 HIS 71 -1.044 -7.494 1.903 502 HD2 HIS 71 HD2 HIS 71 -2.242 -7.606 -2.135 503 HE1 HIS 71 HE1 HIS 71 -0.394 -5.257 0.886 504 H GLY 72 H GLY 72 -1.905 -11.865 3.364 505 1HA GLY 72 HA2 GLY 72 -2.852 -13.859 3.835 506 2HA GLY 72 HA3 GLY 72 -4.118 -13.554 2.654 507 H HIS 73 H HIS 73 -1.263 -13.370 0.845 508 HA HIS 73 HA HIS 73 -1.824 -15.898 -0.401 509 1HB HIS 73 HB2 HIS 73 0.607 -14.080 -0.660 510 2HB HIS 73 HB3 HIS 73 0.257 -15.476 -1.683 511 HD1 HIS 73 HD1 HIS 73 -1.138 -11.990 -0.910 512 HD2 HIS 73 HD2 HIS 73 -1.594 -15.191 -3.597 513 HE1 HIS 73 HE1 HIS 73 -2.705 -11.171 -2.776 514 H GLY 74 H GLY 74 0.948 -14.807 1.508 515 1HA GLY 74 HA2 GLY 74 1.694 -16.140 3.414 516 2HA GLY 74 HA3 GLY 74 1.434 -17.602 2.495 517 H ARG 75 H ARG 75 2.774 -15.627 0.218 518 HA ARG 75 HA ARG 75 5.541 -15.665 1.119 519 1HB ARG 75 HB2 ARG 75 6.306 -16.997 -0.838 520 2HB ARG 75 HB3 ARG 75 5.369 -17.920 0.331 521 1HG ARG 75 HG2 ARG 75 3.372 -17.119 -1.440 522 2HG ARG 75 HG3 ARG 75 4.763 -17.235 -2.507 523 1HD ARG 75 HD2 ARG 75 3.579 -19.391 -2.423 524 2HD ARG 75 HD3 ARG 75 5.190 -19.533 -1.729 525 HE ARG 75 HE ARG 75 4.269 -20.095 0.306 526 1HH1 ARG 75 1HH1 ARG 75 1.716 -18.598 -1.630 527 2HH1 ARG 75 2HH1 ARG 75 0.566 -18.577 -0.302 528 1HH2 ARG 75 1HH2 ARG 75 2.676 -20.115 2.042 529 2HH2 ARG 75 2HH2 ARG 75 1.066 -19.591 1.689 530 H VAL 76 H VAL 76 6.894 -14.437 -0.370 531 HA VAL 76 HA VAL 76 5.434 -12.745 -2.319 532 HB VAL 76 HB VAL 76 6.341 -10.694 -1.220 533 1HG1 VAL 76 1HG1 VAL 76 3.985 -11.407 -0.822 534 2HG1 VAL 76 2HG1 VAL 76 4.519 -12.218 0.668 535 3HG1 VAL 76 3HG1 VAL 76 4.682 -10.463 0.507 536 1HG2 VAL 76 1HG2 VAL 76 8.172 -11.718 0.118 537 2HG2 VAL 76 2HG2 VAL 76 7.090 -10.734 1.110 538 3HG2 VAL 76 3HG2 VAL 76 6.970 -12.499 1.168 539 H GLU 77 H GLU 77 6.986 -11.267 -3.432 540 HA GLU 77 HA GLU 77 9.497 -12.681 -4.045 541 1HB GLU 77 HB2 GLU 77 8.089 -11.642 -5.850 542 2HB GLU 77 HB3 GLU 77 8.410 -10.048 -5.134 543 1HG GLU 77 HG2 GLU 77 10.854 -10.392 -5.486 544 2HG GLU 77 HG3 GLU 77 10.527 -11.992 -6.175 545 H ARG 78 H ARG 78 11.473 -12.010 -3.277 546 HA ARG 78 HA ARG 78 11.672 -10.618 -0.882 547 1HB ARG 78 HB2 ARG 78 13.393 -12.096 -1.923 548 2HB ARG 78 HB3 ARG 78 13.772 -10.803 -3.066 549 1HG ARG 78 HG2 ARG 78 14.319 -9.279 -1.109 550 2HG ARG 78 HG3 ARG 78 13.973 -10.610 -0.004 551 1HD ARG 78 HD2 ARG 78 16.344 -10.390 -0.282 552 2HD ARG 78 HD3 ARG 78 15.862 -11.902 -1.024 553 HE ARG 78 HE ARG 78 16.683 -9.343 -2.344 554 1HH1 ARG 78 1HH1 ARG 78 15.778 -12.732 -2.796 555 2HH1 ARG 78 2HH1 ARG 78 16.291 -12.801 -4.462 556 1HH2 ARG 78 1HH2 ARG 78 17.329 -9.395 -4.561 557 2HH2 ARG 78 2HH2 ARG 78 17.154 -10.906 -5.427 558 H SER 79 H SER 79 11.189 -8.513 -0.422 559 HA SER 79 HA SER 79 12.215 -6.280 -1.896 560 1HB SER 79 HB2 SER 79 9.931 -5.388 -2.519 561 2HB SER 79 HB3 SER 79 10.420 -6.791 -3.479 562 HG SER 79 HG SER 79 9.137 -8.103 -2.136 Start of MODEL 2 1 H GLY 1 H GLY 1 30.336 -19.556 -17.035 2 1HA GLY 1 HA2 GLY 1 27.639 -18.376 -17.456 3 2HA GLY 1 HA3 GLY 1 28.012 -20.107 -17.331 4 H VAL 2 H VAL 2 29.143 -17.437 -15.284 5 HA VAL 2 HA VAL 2 28.713 -18.777 -12.818 6 HB VAL 2 HB VAL 2 28.961 -15.788 -13.390 7 1HG1 VAL 2 1HG1 VAL 2 29.334 -17.353 -10.797 8 2HG1 VAL 2 2HG1 VAL 2 29.767 -15.648 -11.036 9 3HG1 VAL 2 3HG1 VAL 2 28.074 -16.143 -11.122 10 1HG2 VAL 2 1HG2 VAL 2 31.058 -17.882 -12.652 11 2HG2 VAL 2 2HG2 VAL 2 30.920 -17.060 -14.219 12 3HG2 VAL 2 3HG2 VAL 2 31.346 -16.136 -12.777 13 H THR 3 H THR 3 26.673 -16.452 -14.630 14 HA THR 3 HA THR 3 24.263 -17.499 -13.600 15 HB THR 3 HB THR 3 24.925 -16.222 -11.552 16 HG1 THR 3 HG1 THR 3 22.804 -16.365 -11.795 17 1HG2 THR 3 1HG2 THR 3 26.244 -14.407 -12.627 18 2HG2 THR 3 2HG2 THR 3 24.746 -13.732 -13.307 19 3HG2 THR 3 3HG2 THR 3 24.973 -13.798 -11.553 20 H LYS 4 H LYS 4 22.665 -15.261 -14.096 21 HA LYS 4 HA LYS 4 23.252 -13.859 -16.503 22 1HB LYS 4 HB2 LYS 4 21.717 -15.024 -18.039 23 2HB LYS 4 HB3 LYS 4 23.050 -16.064 -17.579 24 1HG LYS 4 HG2 LYS 4 21.646 -17.224 -15.916 25 2HG LYS 4 HG3 LYS 4 20.257 -16.216 -16.336 26 1HD LYS 4 HD2 LYS 4 21.724 -18.066 -18.270 27 2HD LYS 4 HD3 LYS 4 20.252 -18.480 -17.379 28 1HE LYS 4 HE2 LYS 4 19.068 -16.555 -18.481 29 2HE LYS 4 HE3 LYS 4 20.514 -16.269 -19.471 30 1HZ LYS 4 HZ1 LYS 4 18.939 -18.738 -19.428 31 2HZ LYS 4 HZ2 LYS 4 18.922 -17.589 -20.610 32 3HZ LYS 4 HZ3 LYS 4 20.288 -18.471 -20.338 33 H GLU 5 H GLU 5 20.461 -13.659 -17.339 34 HA GLU 5 HA GLU 5 19.413 -12.013 -15.166 35 1HB GLU 5 HB2 GLU 5 17.527 -11.664 -16.780 36 2HB GLU 5 HB3 GLU 5 19.120 -11.132 -17.325 37 1HG GLU 5 HG2 GLU 5 19.337 -13.025 -18.835 38 2HG GLU 5 HG3 GLU 5 17.881 -13.790 -18.173 39 H ILE 6 H ILE 6 19.530 -14.061 -13.758 40 HA ILE 6 HA ILE 6 17.482 -16.049 -14.131 41 HB ILE 6 HB ILE 6 18.172 -17.047 -12.137 42 1HG1 ILE 6 2HG1 ILE 6 18.513 -15.493 -10.418 43 2HG1 ILE 6 3HG1 ILE 6 20.068 -16.211 -10.741 44 1HG2 ILE 6 1HG2 ILE 6 20.460 -17.526 -12.668 45 2HG2 ILE 6 2HG2 ILE 6 19.528 -17.295 -14.154 46 3HG2 ILE 6 3HG2 ILE 6 20.621 -16.018 -13.583 47 1HD1 ILE 6 1HD1 ILE 6 19.189 -13.447 -11.673 48 2HD1 ILE 6 2HD1 ILE 6 20.260 -13.824 -10.318 49 3HD1 ILE 6 3HD1 ILE 6 20.786 -14.194 -11.960 50 H ARG 7 H ARG 7 15.824 -14.216 -14.471 51 HA ARG 7 HA ARG 7 14.601 -13.225 -11.993 52 1HB ARG 7 HB2 ARG 7 14.626 -12.129 -14.339 53 2HB ARG 7 HB3 ARG 7 13.261 -13.177 -14.708 54 1HG ARG 7 HG2 ARG 7 13.451 -11.124 -12.428 55 2HG ARG 7 HG3 ARG 7 12.655 -10.894 -13.982 56 1HD ARG 7 HD2 ARG 7 10.860 -11.331 -12.578 57 2HD ARG 7 HD3 ARG 7 11.134 -12.872 -13.358 58 HE ARG 7 HE ARG 7 11.889 -13.802 -11.365 59 1HH1 ARG 7 1HH1 ARG 7 12.230 -13.871 -9.091 60 2HH1 ARG 7 2HH1 ARG 7 11.762 -12.460 -8.134 61 1HH2 ARG 7 1HH2 ARG 7 11.038 -10.369 -10.802 62 2HH2 ARG 7 2HH2 ARG 7 11.106 -10.590 -9.057 63 H ILE 8 H ILE 8 14.788 -15.635 -11.306 64 HA ILE 8 HA ILE 8 12.601 -17.382 -12.186 65 HB ILE 8 HB ILE 8 14.447 -17.540 -9.765 66 1HG1 ILE 8 2HG1 ILE 8 15.877 -17.542 -11.672 67 2HG1 ILE 8 3HG1 ILE 8 15.771 -19.184 -11.059 68 1HG2 ILE 8 1HG2 ILE 8 12.478 -18.963 -9.489 69 2HG2 ILE 8 2HG2 ILE 8 12.777 -19.728 -11.064 70 3HG2 ILE 8 3HG2 ILE 8 13.929 -19.937 -9.735 71 1HD1 ILE 8 1HD1 ILE 8 14.342 -18.087 -13.525 72 2HD1 ILE 8 2HD1 ILE 8 15.723 -19.189 -13.487 73 3HD1 ILE 8 3HD1 ILE 8 14.150 -19.741 -12.894 74 HA PRO 9 HA PRO 9 9.757 -15.191 -9.459 75 1HB PRO 9 HB2 PRO 9 7.748 -17.037 -9.138 76 2HB PRO 9 HB3 PRO 9 8.009 -16.101 -10.635 77 1HG PRO 9 HG2 PRO 9 8.982 -18.901 -10.027 78 2HG PRO 9 HG3 PRO 9 8.113 -18.338 -11.487 79 1HD PRO 9 HD2 PRO 9 10.795 -18.594 -11.473 80 2HD PRO 9 HD3 PRO 9 10.051 -17.184 -12.280 81 H THR 10 H THR 10 11.235 -15.089 -7.756 82 HA THR 10 HA THR 10 12.007 -17.209 -6.101 83 HB THR 10 HB THR 10 12.174 -14.309 -5.281 84 HG1 THR 10 HG1 THR 10 13.197 -15.409 -7.656 85 1HG2 THR 10 1HG2 THR 10 13.369 -16.051 -3.965 86 2HG2 THR 10 2HG2 THR 10 14.244 -16.550 -5.433 87 3HG2 THR 10 3HG2 THR 10 14.487 -14.927 -4.754 88 H LEU 11 H LEU 11 9.568 -17.863 -5.796 89 HA LEU 11 HA LEU 11 8.073 -16.450 -3.778 90 1HB LEU 11 HB2 LEU 11 7.860 -19.333 -4.700 91 2HB LEU 11 HB3 LEU 11 6.744 -18.498 -3.613 92 HG LEU 11 HG LEU 11 7.227 -17.940 -6.561 93 1HD1 LEU 11 1HD1 LEU 11 4.812 -18.410 -6.675 94 2HD1 LEU 11 2HD1 LEU 11 5.661 -19.752 -5.877 95 3HD1 LEU 11 3HD1 LEU 11 4.751 -18.574 -4.904 96 1HD2 LEU 11 1HD2 LEU 11 7.076 -15.733 -5.628 97 2HD2 LEU 11 2HD2 LEU 11 5.479 -16.110 -6.268 98 3HD2 LEU 11 3HD2 LEU 11 5.772 -16.201 -4.515 99 H GLU 12 H GLU 12 8.785 -16.124 -1.829 100 HA GLU 12 HA GLU 12 10.072 -18.369 -0.300 101 1HB GLU 12 HB2 GLU 12 10.544 -15.374 -0.074 102 2HB GLU 12 HB3 GLU 12 11.170 -16.598 1.041 103 1HG GLU 12 HG2 GLU 12 12.349 -17.718 -0.872 104 2HG GLU 12 HG3 GLU 12 11.815 -16.412 -1.938 105 H GLU 13 H GLU 13 9.352 -18.661 1.810 106 HA GLU 13 HA GLU 13 6.604 -18.163 2.213 107 1HB GLU 13 HB2 GLU 13 6.849 -19.207 4.325 108 2HB GLU 13 HB3 GLU 13 7.849 -20.085 3.174 109 1HG GLU 13 HG2 GLU 13 9.864 -18.955 4.147 110 2HG GLU 13 HG3 GLU 13 8.814 -18.071 5.273 111 H CYS 14 H CYS 14 5.459 -16.637 3.384 112 HA CYS 14 HA CYS 14 6.833 -14.141 4.016 113 1HB CYS 14 HB2 CYS 14 4.578 -14.199 3.059 114 2HB CYS 14 HB3 CYS 14 4.020 -15.111 4.456 115 H ASP 15 H ASP 15 8.226 -14.444 5.670 116 HA ASP 15 HA ASP 15 8.198 -16.130 7.834 117 1HB ASP 15 HB2 ASP 15 9.786 -14.646 8.876 118 2HB ASP 15 HB3 ASP 15 10.103 -14.692 7.139 119 H VAL 16 H VAL 16 6.698 -12.930 7.632 120 HA VAL 16 HA VAL 16 5.861 -12.527 10.261 121 HB VAL 16 HB VAL 16 4.584 -11.725 7.618 122 1HG1 VAL 16 1HG1 VAL 16 4.133 -10.510 10.353 123 2HG1 VAL 16 2HG1 VAL 16 3.504 -9.897 8.812 124 3HG1 VAL 16 3HG1 VAL 16 2.924 -11.446 9.426 125 1HG2 VAL 16 1HG2 VAL 16 6.883 -10.872 7.885 126 2HG2 VAL 16 2HG2 VAL 16 5.752 -9.544 8.157 127 3HG2 VAL 16 3HG2 VAL 16 6.523 -10.337 9.534 128 H CYS 17 H CYS 17 4.488 -14.810 7.926 129 HA CYS 17 HA CYS 17 2.513 -15.674 10.028 130 1HB CYS 17 HB2 CYS 17 1.024 -16.299 8.233 131 2HB CYS 17 HB3 CYS 17 1.325 -14.559 8.257 132 H HIS 18 H HIS 18 5.399 -16.448 9.110 133 HA HIS 18 HA HIS 18 6.621 -18.235 8.561 134 1HB HIS 18 HB2 HIS 18 5.716 -18.634 10.904 135 2HB HIS 18 HB3 HIS 18 4.607 -19.811 10.195 136 HD1 HIS 18 HD1 HIS 18 6.406 -21.459 8.349 137 HD2 HIS 18 HD2 HIS 18 7.695 -19.870 12.020 138 HE1 HIS 18 HE1 HIS 18 8.460 -22.835 9.070 139 H GLY 19 H GLY 19 4.967 -17.591 6.451 140 1HA GLY 19 HA2 GLY 19 4.629 -18.576 4.378 141 2HA GLY 19 HA3 GLY 19 4.941 -20.162 5.058 142 H SER 20 H SER 20 2.538 -19.234 7.106 143 HA SER 20 HA SER 20 0.663 -20.906 5.669 144 1HB SER 20 HB2 SER 20 -0.892 -20.425 7.486 145 2HB SER 20 HB3 SER 20 0.683 -20.919 8.109 146 HG SER 20 HG SER 20 1.106 -18.781 8.658 147 H GLY 21 H GLY 21 0.241 -17.678 6.869 148 1HA GLY 21 HA2 GLY 21 -0.412 -15.845 5.133 149 2HA GLY 21 HA3 GLY 21 -1.732 -16.953 4.746 150 H ALA 22 H ALA 22 -1.191 -17.585 7.980 151 HA ALA 22 HA ALA 22 -3.467 -15.995 8.836 152 1HB ALA 22 HB1 ALA 22 -3.109 -18.333 9.511 153 2HB ALA 22 HB2 ALA 22 -1.603 -17.873 10.340 154 3HB ALA 22 HB3 ALA 22 -3.166 -17.259 10.914 155 H LYS 23 H LYS 23 -3.320 -14.048 9.939 156 HA LYS 23 HA LYS 23 -0.975 -12.581 9.919 157 1HB LYS 23 HB2 LYS 23 -2.148 -10.859 11.032 158 2HB LYS 23 HB3 LYS 23 -3.334 -11.741 10.081 159 1HG LYS 23 HG2 LYS 23 -3.953 -13.022 12.163 160 2HG LYS 23 HG3 LYS 23 -2.883 -11.985 13.102 161 1HD LYS 23 HD2 LYS 23 -5.256 -11.003 11.446 162 2HD LYS 23 HD3 LYS 23 -5.268 -11.306 13.194 163 1HE LYS 23 HE2 LYS 23 -3.447 -9.603 13.479 164 2HE LYS 23 HE3 LYS 23 -3.561 -9.227 11.746 165 1HZ LYS 23 HZ1 LYS 23 -4.836 -7.725 13.055 166 2HZ LYS 23 HZ2 LYS 23 -5.834 -8.610 12.088 167 3HZ LYS 23 HZ3 LYS 23 -5.728 -8.951 13.698 168 HA PRO 24 HA PRO 24 1.827 -13.399 13.110 169 1HB PRO 24 HB2 PRO 24 1.081 -10.723 14.340 170 2HB PRO 24 HB3 PRO 24 2.705 -11.478 14.239 171 1HG PRO 24 HG2 PRO 24 2.031 -9.707 12.332 172 2HG PRO 24 HG3 PRO 24 2.694 -11.302 11.848 173 1HD PRO 24 HD2 PRO 24 -0.193 -10.435 11.921 174 2HD PRO 24 HD3 PRO 24 0.684 -11.287 10.611 175 H GLY 25 H GLY 25 1.891 -14.549 14.955 176 1HA GLY 25 HA2 GLY 25 1.217 -15.704 16.786 177 2HA GLY 25 HA3 GLY 25 0.587 -14.157 17.372 178 H THR 26 H THR 26 -0.864 -15.430 14.413 179 HA THR 26 HA THR 26 -3.199 -16.466 15.963 180 HB THR 26 HB THR 26 -3.294 -14.884 13.384 181 HG1 THR 26 HG1 THR 26 -2.430 -13.568 15.065 182 1HG2 THR 26 1HG2 THR 26 -5.653 -14.527 14.048 183 2HG2 THR 26 2HG2 THR 26 -5.298 -16.262 13.942 184 3HG2 THR 26 3HG2 THR 26 -5.390 -15.465 15.530 185 H GLN 27 H GLN 27 -3.964 -18.337 15.250 186 HA GLN 27 HA GLN 27 -2.445 -19.771 13.189 187 1HB GLN 27 HB2 GLN 27 -3.333 -21.745 14.099 188 2HB GLN 27 HB3 GLN 27 -2.882 -20.732 15.465 189 1HG GLN 27 HG2 GLN 27 -5.727 -21.190 14.421 190 2HG GLN 27 HG3 GLN 27 -4.972 -21.978 15.796 191 1HE2 GLN 27 1HE2 GLN 27 -6.388 -18.149 16.231 192 2HE2 GLN 27 2HE2 GLN 27 -6.113 -18.796 14.609 193 HA PRO 28 HA PRO 28 -5.810 -19.322 10.238 194 1HB PRO 28 HB2 PRO 28 -5.477 -21.424 8.601 195 2HB PRO 28 HB3 PRO 28 -4.307 -20.079 8.613 196 1HG PRO 28 HG2 PRO 28 -4.052 -22.717 10.086 197 2HG PRO 28 HG3 PRO 28 -2.824 -21.927 9.053 198 1HD PRO 28 HD2 PRO 28 -2.840 -21.698 11.763 199 2HD PRO 28 HD3 PRO 28 -2.359 -20.314 10.739 200 H GLN 29 H GLN 29 -7.885 -20.473 9.772 201 HA GLN 29 HA GLN 29 -8.606 -22.129 12.133 202 1HB GLN 29 HB2 GLN 29 -10.358 -20.881 10.000 203 2HB GLN 29 HB3 GLN 29 -10.880 -21.624 11.519 204 1HG GLN 29 HG2 GLN 29 -9.149 -19.108 11.237 205 2HG GLN 29 HG3 GLN 29 -10.852 -19.174 11.682 206 1HE2 GLN 29 1HE2 GLN 29 -8.060 -19.770 14.569 207 2HE2 GLN 29 2HE2 GLN 29 -7.533 -19.452 12.929 208 H THR 30 H THR 30 -8.348 -24.311 11.968 209 HA THR 30 HA THR 30 -7.830 -25.809 9.764 210 HB THR 30 HB THR 30 -9.600 -26.756 12.059 211 HG1 THR 30 HG1 THR 30 -7.629 -26.848 13.255 212 1HG2 THR 30 1HG2 THR 30 -8.161 -28.771 11.914 213 2HG2 THR 30 2HG2 THR 30 -8.943 -28.437 10.359 214 3HG2 THR 30 3HG2 THR 30 -7.229 -28.023 10.600 215 H CYS 31 H CYS 31 -9.037 -26.386 7.938 216 HA CYS 31 HA CYS 31 -11.695 -25.445 7.611 217 1HB CYS 31 HB2 CYS 31 -10.148 -25.887 5.749 218 2HB CYS 31 HB3 CYS 31 -10.264 -27.615 6.078 219 HA PRO 32 HA PRO 32 -13.372 -28.873 10.050 220 1HB PRO 32 HB2 PRO 32 -15.987 -28.161 10.204 221 2HB PRO 32 HB3 PRO 32 -14.679 -27.293 11.071 222 1HG PRO 32 HG2 PRO 32 -15.942 -26.516 8.424 223 2HG PRO 32 HG3 PRO 32 -15.690 -25.487 9.861 224 1HD PRO 32 HD2 PRO 32 -13.935 -25.523 7.778 225 2HD PRO 32 HD3 PRO 32 -13.377 -25.330 9.464 226 H THR 33 H THR 33 -14.818 -27.800 6.931 227 HA THR 33 HA THR 33 -16.441 -29.839 6.243 228 HB THR 33 HB THR 33 -14.443 -28.651 4.294 229 HG1 THR 33 HG1 THR 33 -16.631 -27.277 5.456 230 1HG2 THR 33 1HG2 THR 33 -16.226 -30.100 3.371 231 2HG2 THR 33 2HG2 THR 33 -17.462 -29.087 4.145 232 3HG2 THR 33 3HG2 THR 33 -16.432 -28.412 2.865 233 H CYS 34 H CYS 34 -12.876 -29.886 6.084 234 HA CYS 34 HA CYS 34 -12.941 -32.793 5.293 235 1HB CYS 34 HB2 CYS 34 -10.681 -32.378 4.423 236 2HB CYS 34 HB3 CYS 34 -11.965 -31.562 3.534 237 H HIS 35 H HIS 35 -12.886 -31.151 8.037 238 HA HIS 35 HA HIS 35 -11.843 -31.296 10.060 239 1HB HIS 35 HB2 HIS 35 -11.260 -34.156 9.175 240 2HB HIS 35 HB3 HIS 35 -11.290 -33.548 10.828 241 HD1 HIS 35 HD1 HIS 35 -14.287 -32.065 9.382 242 HD2 HIS 35 HD2 HIS 35 -13.058 -35.898 10.619 243 HE1 HIS 35 HE1 HIS 35 -16.403 -33.409 9.803 244 H GLY 36 H GLY 36 -10.243 -30.077 8.143 245 1HA GLY 36 HA2 GLY 36 -8.081 -29.348 7.919 246 2HA GLY 36 HA3 GLY 36 -7.597 -30.392 9.257 247 H SER 37 H SER 37 -8.939 -32.599 7.187 248 HA SER 37 HA SER 37 -6.433 -33.649 6.383 249 1HB SER 37 HB2 SER 37 -9.118 -34.439 5.209 250 2HB SER 37 HB3 SER 37 -7.675 -35.436 5.469 251 HG SER 37 HG SER 37 -9.540 -34.419 7.336 252 H GLY 38 H GLY 38 -8.171 -31.143 4.949 253 1HA GLY 38 HA2 GLY 38 -7.906 -29.961 2.994 254 2HA GLY 38 HA3 GLY 38 -6.434 -30.893 2.703 255 H GLN 39 H GLN 39 -9.217 -32.936 3.052 256 HA GLN 39 HA GLN 39 -9.843 -32.890 0.180 257 1HB GLN 39 HB2 GLN 39 -9.322 -35.250 -0.102 258 2HB GLN 39 HB3 GLN 39 -7.891 -34.347 0.405 259 1HG GLN 39 HG2 GLN 39 -8.650 -35.123 2.854 260 2HG GLN 39 HG3 GLN 39 -9.543 -36.349 1.954 261 1HE2 GLN 39 1HE2 GLN 39 -5.430 -36.432 2.187 262 2HE2 GLN 39 2HE2 GLN 39 -6.317 -35.001 2.701 263 H VAL 40 H VAL 40 -11.786 -33.703 -0.316 264 HA VAL 40 HA VAL 40 -13.728 -34.225 1.898 265 HB VAL 40 HB VAL 40 -15.363 -33.846 -0.047 266 1HG1 VAL 40 1HG1 VAL 40 -13.630 -31.509 0.812 267 2HG1 VAL 40 2HG1 VAL 40 -15.261 -31.413 0.101 268 3HG1 VAL 40 3HG1 VAL 40 -15.029 -32.182 1.685 269 1HG2 VAL 40 1HG2 VAL 40 -14.661 -32.694 -2.022 270 2HG2 VAL 40 2HG2 VAL 40 -13.014 -32.476 -1.425 271 3HG2 VAL 40 3HG2 VAL 40 -13.583 -34.092 -1.880 272 H GLN 41 H GLN 41 -15.138 -36.063 1.640 273 HA GLN 41 HA GLN 41 -14.379 -38.009 -0.458 274 1HB GLN 41 HB2 GLN 41 -13.445 -38.695 1.762 275 2HB GLN 41 HB3 GLN 41 -15.114 -38.818 2.355 276 1HG GLN 41 HG2 GLN 41 -15.586 -40.394 0.393 277 2HG GLN 41 HG3 GLN 41 -13.867 -40.353 0.006 278 1HE2 GLN 41 1HE2 GLN 41 -13.000 -42.182 3.074 279 2HE2 GLN 41 2HE2 GLN 41 -12.459 -40.758 2.204 280 H MET 42 H MET 42 -16.044 -38.310 -1.742 281 HA MET 42 HA MET 42 -18.831 -37.787 -0.790 282 1HB MET 42 HB2 MET 42 -17.550 -37.741 -3.547 283 2HB MET 42 HB3 MET 42 -19.301 -37.709 -3.259 284 1HG MET 42 HG2 MET 42 -19.108 -35.654 -1.955 285 2HG MET 42 HG3 MET 42 -17.350 -35.695 -2.078 286 1HE MET 42 HE1 MET 42 -19.949 -36.393 -5.049 287 2HE MET 42 HE2 MET 42 -20.723 -35.167 -4.010 288 3HE MET 42 HE3 MET 42 -20.145 -34.729 -5.634 289 H ARG 43 H ARG 43 -19.999 -39.521 -0.369 290 HA ARG 43 HA ARG 43 -19.228 -42.211 -1.350 291 1HB ARG 43 HB2 ARG 43 -21.286 -41.348 0.722 292 2HB ARG 43 HB3 ARG 43 -20.878 -42.985 0.227 293 1HG ARG 43 HG2 ARG 43 -18.380 -42.043 0.933 294 2HG ARG 43 HG3 ARG 43 -19.409 -41.088 1.996 295 1HD ARG 43 HD2 ARG 43 -18.820 -43.048 3.202 296 2HD ARG 43 HD3 ARG 43 -20.500 -43.294 2.745 297 HE ARG 43 HE ARG 43 -18.033 -44.579 1.668 298 1HH1 ARG 43 1HH1 ARG 43 -18.170 -46.371 0.333 299 2HH1 ARG 43 2HH1 ARG 43 -19.709 -47.009 -0.183 300 1HH2 ARG 43 1HH2 ARG 43 -21.582 -44.634 1.677 301 2HH2 ARG 43 2HH2 ARG 43 -21.699 -45.975 0.572 302 H GLN 44 H GLN 44 -20.154 -42.783 -3.278 303 HA GLN 44 HA GLN 44 -22.782 -41.604 -4.055 304 1HB GLN 44 HB2 GLN 44 -22.442 -42.803 -6.176 305 2HB GLN 44 HB3 GLN 44 -21.319 -41.503 -5.885 306 1HG GLN 44 HG2 GLN 44 -20.636 -44.438 -5.351 307 2HG GLN 44 HG3 GLN 44 -20.452 -43.683 -6.929 308 1HE2 GLN 44 1HE2 GLN 44 -17.955 -41.458 -4.758 309 2HE2 GLN 44 2HE2 GLN 44 -19.674 -41.184 -4.847 310 H GLY 45 H GLY 45 -23.168 -42.869 -1.853 311 1HA GLY 45 HA2 GLY 45 -24.524 -44.417 -0.861 312 2HA GLY 45 HA3 GLY 45 -25.026 -44.961 -2.466 313 H PHE 46 H PHE 46 -23.273 -46.301 -3.636 314 HA PHE 46 HA PHE 46 -22.594 -48.543 -1.855 315 1HB PHE 46 HB2 PHE 46 -22.020 -49.733 -3.924 316 2HB PHE 46 HB3 PHE 46 -23.677 -49.170 -3.836 317 HD1 PHE 46 HD1 PHE 46 -20.716 -49.243 -5.870 318 HD2 PHE 46 HD2 PHE 46 -24.421 -47.141 -5.205 319 HE1 PHE 46 HE1 PHE 46 -20.460 -48.095 -8.043 320 HE2 PHE 46 HE2 PHE 46 -24.131 -45.958 -7.351 321 HZ PHE 46 HZ PHE 46 -22.141 -46.414 -8.773 322 H PHE 47 H PHE 47 -20.690 -46.860 -4.408 323 HA PHE 47 HA PHE 47 -18.203 -47.383 -2.832 324 1HB PHE 47 HB2 PHE 47 -18.625 -46.336 -5.650 325 2HB PHE 47 HB3 PHE 47 -17.063 -46.663 -4.915 326 HD1 PHE 47 HD1 PHE 47 -17.734 -47.736 -7.519 327 HD2 PHE 47 HD2 PHE 47 -18.400 -49.429 -3.595 328 HE1 PHE 47 HE1 PHE 47 -17.778 -50.015 -8.491 329 HE2 PHE 47 HE2 PHE 47 -18.429 -51.680 -4.576 330 HZ PHE 47 HZ PHE 47 -18.144 -51.989 -7.026 331 H ALA 48 H ALA 48 -16.521 -45.534 -3.085 332 HA ALA 48 HA ALA 48 -17.707 -42.875 -2.830 333 1HB ALA 48 HB1 ALA 48 -17.745 -43.844 -0.522 334 2HB ALA 48 HB2 ALA 48 -16.005 -44.171 -0.642 335 3HB ALA 48 HB3 ALA 48 -16.595 -42.496 -0.658 336 H VAL 49 H VAL 49 -16.105 -41.209 -2.954 337 HA VAL 49 HA VAL 49 -13.346 -41.955 -3.528 338 HB VAL 49 HB VAL 49 -13.645 -40.143 -5.559 339 1HG1 VAL 49 1HG1 VAL 49 -13.808 -43.162 -5.752 340 2HG1 VAL 49 2HG1 VAL 49 -13.321 -42.048 -7.055 341 3HG1 VAL 49 3HG1 VAL 49 -12.343 -42.161 -5.576 342 1HG2 VAL 49 1HG2 VAL 49 -15.490 -40.693 -6.985 343 2HG2 VAL 49 2HG2 VAL 49 -16.088 -41.920 -5.859 344 3HG2 VAL 49 3HG2 VAL 49 -16.138 -40.191 -5.413 345 H GLN 50 H GLN 50 -12.008 -39.994 -3.767 346 HA GLN 50 HA GLN 50 -13.079 -37.824 -2.104 347 1HB GLN 50 HB2 GLN 50 -11.124 -37.798 -0.738 348 2HB GLN 50 HB3 GLN 50 -11.574 -39.499 -0.836 349 1HG GLN 50 HG2 GLN 50 -9.431 -38.085 -2.492 350 2HG GLN 50 HG3 GLN 50 -9.147 -39.052 -1.049 351 1HE2 GLN 50 1HE2 GLN 50 -9.757 -40.943 -4.635 352 2HE2 GLN 50 2HE2 GLN 50 -10.059 -39.210 -4.485 353 H GLN 51 H GLN 51 -12.107 -35.777 -2.280 354 HA GLN 51 HA GLN 51 -10.406 -35.310 -4.667 355 1HB GLN 51 HB2 GLN 51 -12.931 -33.669 -4.217 356 2HB GLN 51 HB3 GLN 51 -11.816 -33.627 -5.570 357 1HG GLN 51 HG2 GLN 51 -13.719 -34.711 -6.410 358 2HG GLN 51 HG3 GLN 51 -12.534 -35.995 -6.164 359 1HE2 GLN 51 1HE2 GLN 51 -15.664 -35.786 -3.438 360 2HE2 GLN 51 2HE2 GLN 51 -14.879 -34.301 -3.943 361 H THR 52 H THR 52 -9.433 -33.102 -4.579 362 HA THR 52 HA THR 52 -8.533 -32.365 -2.026 363 HB THR 52 HB THR 52 -8.755 -30.607 -4.517 364 HG1 THR 52 HG1 THR 52 -6.773 -31.652 -5.096 365 1HG2 THR 52 1HG2 THR 52 -6.673 -30.804 -2.296 366 2HG2 THR 52 2HG2 THR 52 -6.569 -29.732 -3.711 367 3HG2 THR 52 3HG2 THR 52 -7.856 -29.492 -2.517 368 H CYS 53 H CYS 53 -9.352 -30.829 -0.501 369 HA CYS 53 HA CYS 53 -12.134 -30.132 -0.764 370 1HB CYS 53 HB2 CYS 53 -11.107 -30.586 1.406 371 2HB CYS 53 HB3 CYS 53 -10.078 -29.159 1.220 372 HA PRO 54 HA PRO 54 -11.020 -26.421 -3.149 373 1HB PRO 54 HB2 PRO 54 -13.513 -25.426 -3.683 374 2HB PRO 54 HB3 PRO 54 -12.829 -26.859 -4.502 375 1HG PRO 54 HG2 PRO 54 -14.734 -26.820 -2.149 376 2HG PRO 54 HG3 PRO 54 -14.849 -27.789 -3.643 377 1HD PRO 54 HD2 PRO 54 -13.813 -28.806 -1.344 378 2HD PRO 54 HD3 PRO 54 -13.149 -29.257 -2.940 379 H HIS 55 H HIS 55 -13.400 -26.320 -0.481 380 HA HIS 55 HA HIS 55 -13.574 -23.661 0.073 381 1HB HIS 55 HB2 HIS 55 -14.754 -25.569 1.197 382 2HB HIS 55 HB3 HIS 55 -13.312 -25.827 2.188 383 HD1 HIS 55 HD1 HIS 55 -13.201 -22.338 2.337 384 HD2 HIS 55 HD2 HIS 55 -15.992 -25.199 3.655 385 HE1 HIS 55 HE1 HIS 55 -14.557 -21.238 4.208 386 H CYS 56 H CYS 56 -10.814 -25.735 0.901 387 HA CYS 56 HA CYS 56 -9.307 -23.322 1.867 388 1HB CYS 56 HB2 CYS 56 -8.067 -24.871 3.331 389 2HB CYS 56 HB3 CYS 56 -9.770 -24.767 3.749 390 H GLN 57 H GLN 57 -9.607 -24.695 -0.879 391 HA GLN 57 HA GLN 57 -8.291 -25.459 -2.587 392 1HB GLN 57 HB2 GLN 57 -6.388 -23.450 -1.303 393 2HB GLN 57 HB3 GLN 57 -6.289 -24.028 -2.970 394 1HG GLN 57 HG2 GLN 57 -8.671 -22.478 -1.839 395 2HG GLN 57 HG3 GLN 57 -7.323 -21.782 -2.737 396 1HE2 GLN 57 1HE2 GLN 57 -10.259 -23.715 -4.795 397 2HE2 GLN 57 2HE2 GLN 57 -10.290 -23.683 -3.036 398 H GLY 58 H GLY 58 -8.215 -27.315 -0.563 399 1HA GLY 58 HA2 GLY 58 -7.079 -29.221 -0.039 400 2HA GLY 58 HA3 GLY 58 -5.816 -28.767 -1.187 401 H ARG 59 H ARG 59 -5.869 -26.185 0.932 402 HA ARG 59 HA ARG 59 -3.424 -27.093 2.203 403 1HB ARG 59 HB2 ARG 59 -5.020 -24.545 2.657 404 2HB ARG 59 HB3 ARG 59 -3.339 -24.852 3.108 405 1HG ARG 59 HG2 ARG 59 -2.778 -25.150 0.661 406 2HG ARG 59 HG3 ARG 59 -4.451 -24.726 0.260 407 1HD ARG 59 HD2 ARG 59 -3.144 -22.750 0.003 408 2HD ARG 59 HD3 ARG 59 -4.177 -22.556 1.438 409 HE ARG 59 HE ARG 59 -1.599 -23.640 2.139 410 1HH1 ARG 59 1HH1 ARG 59 -0.022 -22.294 3.144 411 2HH1 ARG 59 2HH1 ARG 59 -0.311 -20.568 3.238 412 1HH2 ARG 59 1HH2 ARG 59 -3.218 -20.610 1.276 413 2HH2 ARG 59 2HH2 ARG 59 -1.966 -19.589 1.952 414 H GLY 60 H GLY 60 -6.654 -27.559 3.037 415 1HA GLY 60 HA2 GLY 60 -7.695 -28.361 4.943 416 2HA GLY 60 HA3 GLY 60 -6.090 -28.657 5.604 417 H THR 61 H THR 61 -6.057 -25.390 4.923 418 HA THR 61 HA THR 61 -7.032 -24.578 7.613 419 HB THR 61 HB THR 61 -4.915 -23.023 7.281 420 HG1 THR 61 HG1 THR 61 -4.122 -25.295 5.770 421 1HG2 THR 61 1HG2 THR 61 -4.654 -25.978 7.999 422 2HG2 THR 61 2HG2 THR 61 -3.516 -24.688 8.445 423 3HG2 THR 61 3HG2 THR 61 -5.166 -24.678 9.098 424 H LEU 62 H LEU 62 -8.214 -22.769 7.665 425 HA LEU 62 HA LEU 62 -8.735 -21.302 5.131 426 1HB LEU 62 HB2 LEU 62 -10.264 -21.377 7.756 427 2HB LEU 62 HB3 LEU 62 -10.728 -20.470 6.321 428 HG LEU 62 HG LEU 62 -10.470 -23.510 6.403 429 1HD1 LEU 62 1HD1 LEU 62 -12.251 -22.761 7.912 430 2HD1 LEU 62 2HD1 LEU 62 -12.928 -21.723 6.639 431 3HD1 LEU 62 3HD1 LEU 62 -12.956 -23.488 6.454 432 1HD2 LEU 62 1HD2 LEU 62 -10.255 -22.524 4.116 433 2HD2 LEU 62 2HD2 LEU 62 -11.773 -23.404 4.310 434 3HD2 LEU 62 3HD2 LEU 62 -11.758 -21.624 4.372 435 H ILE 63 H ILE 63 -7.712 -19.464 4.883 436 HA ILE 63 HA ILE 63 -6.307 -18.123 7.045 437 HB ILE 63 HB ILE 63 -6.752 -17.304 4.142 438 1HG1 ILE 63 2HG1 ILE 63 -5.654 -19.524 4.218 439 2HG1 ILE 63 3HG1 ILE 63 -4.612 -18.250 3.599 440 1HG2 ILE 63 1HG2 ILE 63 -4.502 -16.102 4.655 441 2HG2 ILE 63 2HG2 ILE 63 -5.995 -15.396 5.262 442 3HG2 ILE 63 3HG2 ILE 63 -4.939 -16.308 6.359 443 1HD1 ILE 63 1HD1 ILE 63 -4.508 -19.433 6.393 444 2HD1 ILE 63 2HD1 ILE 63 -3.351 -19.692 5.075 445 3HD1 ILE 63 3HD1 ILE 63 -3.490 -18.090 5.815 446 H LYS 64 H LYS 64 -8.481 -18.054 8.207 447 HA LYS 64 HA LYS 64 -10.509 -16.226 7.412 448 1HB LYS 64 HB2 LYS 64 -10.690 -18.020 9.175 449 2HB LYS 64 HB3 LYS 64 -9.652 -17.049 10.218 450 1HG LYS 64 HG2 LYS 64 -11.994 -16.803 10.855 451 2HG LYS 64 HG3 LYS 64 -11.312 -15.268 10.340 452 1HD LYS 64 HD2 LYS 64 -13.614 -15.610 9.510 453 2HD LYS 64 HD3 LYS 64 -12.463 -15.357 8.208 454 1HE LYS 64 HE2 LYS 64 -14.101 -17.139 7.683 455 2HE LYS 64 HE3 LYS 64 -12.454 -17.774 7.689 456 1HZ LYS 64 HZ1 LYS 64 -14.388 -18.004 9.893 457 2HZ LYS 64 HZ2 LYS 64 -13.979 -19.202 8.838 458 3HZ LYS 64 HZ3 LYS 64 -12.858 -18.617 9.892 459 H ASP 65 H ASP 65 -7.510 -15.864 9.169 460 HA ASP 65 HA ASP 65 -7.794 -12.932 9.598 461 1HB ASP 65 HB2 ASP 65 -6.081 -13.323 11.298 462 2HB ASP 65 HB3 ASP 65 -7.534 -14.279 11.585 463 HA PRO 66 HA PRO 66 -4.842 -13.697 6.066 464 1HB PRO 66 HB2 PRO 66 -5.410 -11.477 4.531 465 2HB PRO 66 HB3 PRO 66 -6.334 -13.005 4.490 466 1HG PRO 66 HG2 PRO 66 -6.961 -10.528 6.119 467 2HG PRO 66 HG3 PRO 66 -8.063 -11.432 5.034 468 1HD PRO 66 HD2 PRO 66 -8.105 -11.897 7.668 469 2HD PRO 66 HD3 PRO 66 -8.139 -13.283 6.536 470 H CYS 67 H CYS 67 -2.821 -13.334 6.290 471 HA CYS 67 HA CYS 67 -1.611 -11.162 7.741 472 1HB CYS 67 HB2 CYS 67 -0.596 -13.382 7.608 473 2HB CYS 67 HB3 CYS 67 -0.556 -13.289 5.848 474 H ASN 68 H ASN 68 -2.271 -9.257 6.783 475 HA ASN 68 HA ASN 68 -2.655 -8.424 4.265 476 1HB ASN 68 HB2 ASN 68 -2.912 -6.944 6.177 477 2HB ASN 68 HB3 ASN 68 -1.160 -6.906 6.432 478 1HD2 ASN 68 1HD2 ASN 68 -2.783 -4.740 3.313 479 2HD2 ASN 68 2HD2 ASN 68 -3.716 -6.049 4.016 480 H LYS 69 H LYS 69 0.643 -8.572 5.692 481 HA LYS 69 HA LYS 69 2.137 -7.438 3.695 482 1HB LYS 69 HB2 LYS 69 3.049 -8.221 5.831 483 2HB LYS 69 HB3 LYS 69 2.855 -9.910 5.322 484 1HG LYS 69 HG2 LYS 69 4.472 -9.577 3.489 485 2HG LYS 69 HG3 LYS 69 4.599 -7.853 3.885 486 1HD LYS 69 HD2 LYS 69 5.580 -8.393 6.063 487 2HD LYS 69 HD3 LYS 69 5.331 -10.130 5.779 488 1HE LYS 69 HE2 LYS 69 6.860 -10.018 3.806 489 2HE LYS 69 HE3 LYS 69 7.129 -8.295 4.132 490 1HZ LYS 69 HZ1 LYS 69 8.029 -8.930 6.269 491 2HZ LYS 69 HZ2 LYS 69 7.832 -10.528 5.913 492 3HZ LYS 69 HZ3 LYS 69 8.868 -9.611 5.027 493 H CYS 70 H CYS 70 0.878 -10.802 3.675 494 HA CYS 70 HA CYS 70 1.799 -11.057 0.814 495 1HB CYS 70 HB2 CYS 70 1.815 -13.447 1.157 496 2HB CYS 70 HB3 CYS 70 2.909 -12.671 2.288 497 H HIS 71 H HIS 71 -0.741 -9.899 2.173 498 HA HIS 71 HA HIS 71 -3.008 -9.976 1.950 499 1HB HIS 71 HB2 HIS 71 -2.252 -11.100 -0.776 500 2HB HIS 71 HB3 HIS 71 -3.819 -10.401 -0.349 501 HD1 HIS 71 HD1 HIS 71 -1.350 -8.148 1.182 502 HD2 HIS 71 HD2 HIS 71 -2.833 -8.944 -2.682 503 HE1 HIS 71 HE1 HIS 71 -0.830 -6.105 -0.236 504 H GLY 72 H GLY 72 -1.985 -12.163 3.404 505 1HA GLY 72 HA2 GLY 72 -2.575 -14.186 4.208 506 2HA GLY 72 HA3 GLY 72 -4.169 -13.928 3.481 507 H HIS 73 H HIS 73 -1.357 -14.064 1.290 508 HA HIS 73 HA HIS 73 -2.433 -16.485 0.067 509 1HB HIS 73 HB2 HIS 73 0.076 -14.831 -0.475 510 2HB HIS 73 HB3 HIS 73 -0.417 -16.246 -1.394 511 HD1 HIS 73 HD1 HIS 73 -3.163 -13.748 -0.398 512 HD2 HIS 73 HD2 HIS 73 -0.633 -14.752 -3.615 513 HE1 HIS 73 HE1 HIS 73 -4.087 -12.570 -2.450 514 H GLY 74 H GLY 74 0.808 -15.666 1.338 515 1HA GLY 74 HA2 GLY 74 1.307 -17.251 3.383 516 2HA GLY 74 HA3 GLY 74 1.263 -18.499 2.129 517 H ARG 75 H ARG 75 2.450 -17.104 -0.020 518 HA ARG 75 HA ARG 75 5.204 -16.519 0.974 519 1HB ARG 75 HB2 ARG 75 6.047 -17.663 -1.072 520 2HB ARG 75 HB3 ARG 75 5.359 -18.747 0.126 521 1HG ARG 75 HG2 ARG 75 3.794 -17.753 -2.302 522 2HG ARG 75 HG3 ARG 75 4.838 -19.173 -2.335 523 1HD ARG 75 HD2 ARG 75 3.228 -20.465 -1.550 524 2HD ARG 75 HD3 ARG 75 3.212 -19.545 -0.047 525 HE ARG 75 HE ARG 75 1.709 -18.351 -2.278 526 1HH1 ARG 75 1HH1 ARG 75 -0.582 -18.359 -2.188 527 2HH1 ARG 75 2HH1 ARG 75 -1.392 -19.190 -0.882 528 1HH2 ARG 75 1HH2 ARG 75 1.534 -20.608 0.461 529 2HH2 ARG 75 2HH2 ARG 75 -0.193 -20.476 0.611 530 H VAL 76 H VAL 76 6.531 -15.304 -0.550 531 HA VAL 76 HA VAL 76 4.989 -13.571 -2.410 532 HB VAL 76 HB VAL 76 6.144 -11.584 -1.498 533 1HG1 VAL 76 1HG1 VAL 76 4.496 -13.019 0.616 534 2HG1 VAL 76 2HG1 VAL 76 4.726 -11.269 0.452 535 3HG1 VAL 76 3HG1 VAL 76 3.827 -12.160 -0.790 536 1HG2 VAL 76 1HG2 VAL 76 7.168 -11.639 0.742 537 2HG2 VAL 76 2HG2 VAL 76 6.995 -13.400 0.810 538 3HG2 VAL 76 3HG2 VAL 76 8.077 -12.652 -0.383 539 H GLU 77 H GLU 77 6.213 -12.635 -4.061 540 HA GLU 77 HA GLU 77 8.491 -14.213 -4.919 541 1HB GLU 77 HB2 GLU 77 6.616 -13.302 -6.409 542 2HB GLU 77 HB3 GLU 77 7.393 -11.716 -6.254 543 1HG GLU 77 HG2 GLU 77 9.539 -12.818 -7.113 544 2HG GLU 77 HG3 GLU 77 8.599 -14.294 -7.363 545 H ARG 78 H ARG 78 9.674 -13.707 -3.007 546 HA ARG 78 HA ARG 78 10.763 -11.113 -2.434 547 1HB ARG 78 HB2 ARG 78 10.311 -13.279 -1.014 548 2HB ARG 78 HB3 ARG 78 11.922 -13.749 -1.516 549 1HG ARG 78 HG2 ARG 78 11.067 -11.296 0.112 550 2HG ARG 78 HG3 ARG 78 11.937 -12.719 0.685 551 1HD ARG 78 HD2 ARG 78 13.597 -11.071 0.508 552 2HD ARG 78 HD3 ARG 78 13.807 -12.102 -0.917 553 HE ARG 78 HE ARG 78 12.087 -9.693 -1.185 554 1HH1 ARG 78 1HH1 ARG 78 12.621 -8.248 -2.876 555 2HH1 ARG 78 2HH1 ARG 78 14.112 -8.488 -3.762 556 1HH2 ARG 78 1HH2 ARG 78 15.367 -10.960 -1.600 557 2HH2 ARG 78 2HH2 ARG 78 15.773 -9.834 -2.871 558 H SER 79 H SER 79 11.289 -10.867 -4.770 559 HA SER 79 HA SER 79 13.290 -12.247 -6.178 560 1HB SER 79 HB2 SER 79 12.423 -9.339 -6.457 561 2HB SER 79 HB3 SER 79 13.215 -10.333 -7.693 562 HG SER 79 HG SER 79 10.642 -10.823 -6.504 Start of MODEL 3 1 H GLY 1 H GLY 1 14.480 -9.443 -4.950 2 1HA GLY 1 HA2 GLY 1 16.126 -7.941 -3.955 3 2HA GLY 1 HA3 GLY 1 16.248 -9.478 -3.072 4 H VAL 2 H VAL 2 17.902 -11.045 -3.801 5 HA VAL 2 HA VAL 2 20.392 -9.738 -4.654 6 HB VAL 2 HB VAL 2 19.765 -12.696 -4.246 7 1HG1 VAL 2 1HG1 VAL 2 21.736 -12.361 -5.682 8 2HG1 VAL 2 2HG1 VAL 2 22.418 -11.219 -4.505 9 3HG1 VAL 2 3HG1 VAL 2 22.225 -12.933 -4.082 10 1HG2 VAL 2 1HG2 VAL 2 20.942 -12.401 -2.078 11 2HG2 VAL 2 2HG2 VAL 2 21.084 -10.660 -2.388 12 3HG2 VAL 2 3HG2 VAL 2 19.489 -11.395 -2.140 13 H THR 3 H THR 3 18.056 -12.151 -5.933 14 HA THR 3 HA THR 3 19.080 -12.031 -8.678 15 HB THR 3 HB THR 3 16.962 -13.438 -8.999 16 HG1 THR 3 HG1 THR 3 15.853 -12.590 -7.246 17 1HG2 THR 3 1HG2 THR 3 19.115 -14.542 -8.635 18 2HG2 THR 3 2HG2 THR 3 18.964 -14.361 -6.879 19 3HG2 THR 3 3HG2 THR 3 17.837 -15.410 -7.766 20 H LYS 4 H LYS 4 18.907 -9.574 -8.384 21 HA LYS 4 HA LYS 4 16.593 -8.079 -8.107 22 1HB LYS 4 HB2 LYS 4 18.950 -7.602 -9.987 23 2HB LYS 4 HB3 LYS 4 17.733 -6.385 -9.565 24 1HG LYS 4 HG2 LYS 4 18.328 -6.569 -7.174 25 2HG LYS 4 HG3 LYS 4 19.567 -7.773 -7.553 26 1HD LYS 4 HD2 LYS 4 20.740 -6.126 -8.997 27 2HD LYS 4 HD3 LYS 4 19.515 -4.904 -8.585 28 1HE LYS 4 HE2 LYS 4 20.123 -5.118 -6.176 29 2HE LYS 4 HE3 LYS 4 21.342 -6.336 -6.591 30 1HZ LYS 4 HZ1 LYS 4 22.467 -4.680 -7.892 31 2HZ LYS 4 HZ2 LYS 4 21.335 -3.546 -7.507 32 3HZ LYS 4 HZ3 LYS 4 22.300 -4.179 -6.332 33 H GLU 5 H GLU 5 17.695 -9.791 -10.988 34 HA GLU 5 HA GLU 5 15.720 -8.713 -12.793 35 1HB GLU 5 HB2 GLU 5 17.374 -11.261 -13.098 36 2HB GLU 5 HB3 GLU 5 16.599 -10.293 -14.348 37 1HG GLU 5 HG2 GLU 5 18.726 -9.499 -14.574 38 2HG GLU 5 HG3 GLU 5 18.163 -8.342 -13.364 39 H ILE 6 H ILE 6 14.033 -9.199 -10.962 40 HA ILE 6 HA ILE 6 13.055 -11.912 -10.724 41 HB ILE 6 HB ILE 6 11.153 -10.856 -9.550 42 1HG1 ILE 6 2HG1 ILE 6 12.592 -8.179 -9.788 43 2HG1 ILE 6 3HG1 ILE 6 11.319 -8.619 -10.922 44 1HG2 ILE 6 1HG2 ILE 6 13.310 -11.490 -8.435 45 2HG2 ILE 6 2HG2 ILE 6 13.828 -9.799 -8.572 46 3HG2 ILE 6 3HG2 ILE 6 12.412 -10.221 -7.597 47 1HD1 ILE 6 1HD1 ILE 6 10.393 -7.303 -9.105 48 2HD1 ILE 6 2HD1 ILE 6 9.734 -8.948 -9.060 49 3HD1 ILE 6 3HD1 ILE 6 10.992 -8.457 -7.901 50 H ARG 7 H ARG 7 13.225 -11.804 -13.337 51 HA ARG 7 HA ARG 7 10.503 -11.234 -14.481 52 1HB ARG 7 HB2 ARG 7 13.089 -11.999 -15.878 53 2HB ARG 7 HB3 ARG 7 11.587 -11.476 -16.641 54 1HG ARG 7 HG2 ARG 7 13.410 -9.733 -14.907 55 2HG ARG 7 HG3 ARG 7 13.326 -9.746 -16.666 56 1HD ARG 7 HD2 ARG 7 12.085 -7.846 -15.928 57 2HD ARG 7 HD3 ARG 7 10.919 -9.042 -16.537 58 HE ARG 7 HE ARG 7 11.392 -9.320 -13.707 59 1HH1 ARG 7 1HH1 ARG 7 9.581 -9.305 -12.458 60 2HH1 ARG 7 2HH1 ARG 7 8.253 -8.209 -12.788 61 1HH2 ARG 7 1HH2 ARG 7 9.655 -7.203 -15.918 62 2HH2 ARG 7 2HH2 ARG 7 8.259 -7.049 -14.884 63 H ILE 8 H ILE 8 10.836 -13.236 -12.558 64 HA ILE 8 HA ILE 8 9.737 -15.549 -13.855 65 HB ILE 8 HB ILE 8 11.424 -16.988 -12.443 66 1HG1 ILE 8 2HG1 ILE 8 13.265 -14.626 -12.985 67 2HG1 ILE 8 3HG1 ILE 8 12.517 -14.962 -11.419 68 1HG2 ILE 8 1HG2 ILE 8 11.206 -16.975 -14.962 69 2HG2 ILE 8 2HG2 ILE 8 12.536 -15.798 -15.006 70 3HG2 ILE 8 3HG2 ILE 8 12.798 -17.417 -14.344 71 1HD1 ILE 8 1HD1 ILE 8 14.761 -15.845 -11.425 72 2HD1 ILE 8 2HD1 ILE 8 13.614 -17.197 -11.378 73 3HD1 ILE 8 3HD1 ILE 8 14.454 -16.784 -12.893 74 HA PRO 9 HA PRO 9 7.540 -15.170 -10.035 75 1HB PRO 9 HB2 PRO 9 6.759 -17.708 -9.396 76 2HB PRO 9 HB3 PRO 9 6.140 -16.810 -10.809 77 1HG PRO 9 HG2 PRO 9 8.433 -18.787 -10.761 78 2HG PRO 9 HG3 PRO 9 7.003 -18.806 -11.843 79 1HD PRO 9 HD2 PRO 9 9.326 -17.742 -12.672 80 2HD PRO 9 HD3 PRO 9 7.799 -16.896 -13.036 81 H THR 10 H THR 10 9.624 -14.427 -9.156 82 HA THR 10 HA THR 10 11.240 -16.192 -7.514 83 HB THR 10 HB THR 10 11.246 -13.149 -7.480 84 HG1 THR 10 HG1 THR 10 11.309 -13.977 -9.683 85 1HG2 THR 10 1HG2 THR 10 12.721 -14.454 -5.878 86 2HG2 THR 10 2HG2 THR 10 13.482 -15.225 -7.281 87 3HG2 THR 10 3HG2 THR 10 13.633 -13.474 -7.044 88 H LEU 11 H LEU 11 9.173 -16.970 -6.491 89 HA LEU 11 HA LEU 11 8.149 -15.246 -4.306 90 1HB LEU 11 HB2 LEU 11 7.123 -17.923 -5.292 91 2HB LEU 11 HB3 LEU 11 6.326 -16.830 -4.154 92 HG LEU 11 HG LEU 11 6.822 -16.322 -7.123 93 1HD1 LEU 11 1HD1 LEU 11 4.249 -16.747 -5.557 94 2HD1 LEU 11 2HD1 LEU 11 4.390 -16.455 -7.303 95 3HD1 LEU 11 3HD1 LEU 11 5.035 -17.950 -6.602 96 1HD2 LEU 11 1HD2 LEU 11 5.553 -14.532 -5.006 97 2HD2 LEU 11 2HD2 LEU 11 6.969 -14.177 -6.026 98 3HD2 LEU 11 3HD2 LEU 11 5.370 -14.294 -6.757 99 H GLU 12 H GLU 12 8.262 -15.815 -2.165 100 HA GLU 12 HA GLU 12 9.689 -18.307 -1.367 101 1HB GLU 12 HB2 GLU 12 10.083 -15.516 -0.179 102 2HB GLU 12 HB3 GLU 12 10.766 -17.021 0.432 103 1HG GLU 12 HG2 GLU 12 12.524 -15.998 -0.767 104 2HG GLU 12 HG3 GLU 12 11.956 -17.325 -1.791 105 H GLU 13 H GLU 13 9.091 -19.000 0.774 106 HA GLU 13 HA GLU 13 6.311 -18.877 1.304 107 1HB GLU 13 HB2 GLU 13 7.888 -20.729 1.982 108 2HB GLU 13 HB3 GLU 13 8.569 -19.642 3.209 109 1HG GLU 13 HG2 GLU 13 6.227 -19.450 4.198 110 2HG GLU 13 HG3 GLU 13 5.710 -20.682 3.034 111 H CYS 14 H CYS 14 5.091 -17.581 2.687 112 HA CYS 14 HA CYS 14 6.335 -15.120 3.664 113 1HB CYS 14 HB2 CYS 14 4.016 -15.250 2.703 114 2HB CYS 14 HB3 CYS 14 3.545 -16.133 4.152 115 H ASP 15 H ASP 15 7.885 -16.115 5.018 116 HA ASP 15 HA ASP 15 7.619 -17.825 7.154 117 1HB ASP 15 HB2 ASP 15 9.594 -16.848 8.083 118 2HB ASP 15 HB3 ASP 15 9.753 -16.798 6.324 119 H VAL 16 H VAL 16 6.769 -14.404 7.073 120 HA VAL 16 HA VAL 16 6.262 -13.777 9.727 121 HB VAL 16 HB VAL 16 4.741 -12.977 7.212 122 1HG1 VAL 16 1HG1 VAL 16 4.081 -10.960 8.492 123 2HG1 VAL 16 2HG1 VAL 16 3.360 -12.442 9.126 124 3HG1 VAL 16 3HG1 VAL 16 4.746 -11.702 9.967 125 1HG2 VAL 16 1HG2 VAL 16 6.162 -10.916 7.396 126 2HG2 VAL 16 2HG2 VAL 16 7.067 -11.688 8.709 127 3HG2 VAL 16 3HG2 VAL 16 7.113 -12.366 7.067 128 H CYS 17 H CYS 17 4.122 -15.617 7.505 129 HA CYS 17 HA CYS 17 2.270 -16.210 9.818 130 1HB CYS 17 HB2 CYS 17 0.615 -16.700 8.175 131 2HB CYS 17 HB3 CYS 17 1.179 -15.029 8.051 132 H HIS 18 H HIS 18 4.956 -17.439 8.829 133 HA HIS 18 HA HIS 18 5.919 -19.447 8.438 134 1HB HIS 18 HB2 HIS 18 3.548 -20.491 10.024 135 2HB HIS 18 HB3 HIS 18 5.107 -21.293 9.807 136 HD1 HIS 18 HD1 HIS 18 6.283 -17.982 10.449 137 HD2 HIS 18 HD2 HIS 18 4.265 -20.895 12.728 138 HE1 HIS 18 HE1 HIS 18 6.713 -17.426 12.894 139 H GLY 19 H GLY 19 4.321 -18.491 6.331 140 1HA GLY 19 HA2 GLY 19 3.602 -19.204 4.300 141 2HA GLY 19 HA3 GLY 19 4.075 -20.852 4.734 142 H SER 20 H SER 20 1.798 -19.895 7.085 143 HA SER 20 HA SER 20 -0.178 -21.657 5.869 144 1HB SER 20 HB2 SER 20 -1.520 -21.186 7.826 145 2HB SER 20 HB3 SER 20 0.140 -21.555 8.316 146 HG SER 20 HG SER 20 0.476 -19.405 8.762 147 H GLY 21 H GLY 21 -0.190 -18.314 6.861 148 1HA GLY 21 HA2 GLY 21 -0.989 -16.601 5.077 149 2HA GLY 21 HA3 GLY 21 -2.452 -17.598 5.053 150 H ALA 22 H ALA 22 -1.628 -18.076 8.156 151 HA ALA 22 HA ALA 22 -3.619 -16.334 9.168 152 1HB ALA 22 HB1 ALA 22 -3.056 -18.504 10.132 153 2HB ALA 22 HB2 ALA 22 -1.456 -17.900 10.623 154 3HB ALA 22 HB3 ALA 22 -2.926 -17.215 11.345 155 H LYS 23 H LYS 23 -3.534 -14.345 9.910 156 HA LYS 23 HA LYS 23 -1.658 -12.426 9.578 157 1HB LYS 23 HB2 LYS 23 -3.936 -12.026 10.157 158 2HB LYS 23 HB3 LYS 23 -3.736 -12.820 11.734 159 1HG LYS 23 HG2 LYS 23 -2.213 -10.899 12.406 160 2HG LYS 23 HG3 LYS 23 -2.725 -10.092 10.891 161 1HD LYS 23 HD2 LYS 23 -5.087 -10.270 11.627 162 2HD LYS 23 HD3 LYS 23 -4.556 -11.082 13.118 163 1HE LYS 23 HE2 LYS 23 -3.237 -9.077 13.752 164 2HE LYS 23 HE3 LYS 23 -3.779 -8.250 12.277 165 1HZ LYS 23 HZ1 LYS 23 -6.023 -8.439 13.078 166 2HZ LYS 23 HZ2 LYS 23 -5.511 -9.207 14.445 167 3HZ LYS 23 HZ3 LYS 23 -5.080 -7.642 14.170 168 HA PRO 24 HA PRO 24 1.939 -12.920 12.117 169 1HB PRO 24 HB2 PRO 24 1.184 -10.145 13.097 170 2HB PRO 24 HB3 PRO 24 2.821 -10.782 12.752 171 1HG PRO 24 HG2 PRO 24 1.520 -9.296 10.890 172 2HG PRO 24 HG3 PRO 24 2.389 -10.773 10.401 173 1HD PRO 24 HD2 PRO 24 -0.545 -10.356 10.718 174 2HD PRO 24 HD3 PRO 24 0.333 -11.396 9.563 175 H GLY 25 H GLY 25 2.239 -13.926 14.051 176 1HA GLY 25 HA2 GLY 25 1.891 -14.756 16.135 177 2HA GLY 25 HA3 GLY 25 1.273 -13.158 16.573 178 H THR 26 H THR 26 -0.532 -14.764 14.032 179 HA THR 26 HA THR 26 -2.611 -15.629 15.983 180 HB THR 26 HB THR 26 -3.120 -14.645 13.168 181 HG1 THR 26 HG1 THR 26 -2.007 -12.990 14.406 182 1HG2 THR 26 1HG2 THR 26 -4.998 -15.783 14.272 183 2HG2 THR 26 2HG2 THR 26 -4.829 -14.721 15.689 184 3HG2 THR 26 3HG2 THR 26 -5.327 -14.052 14.125 185 H GLN 27 H GLN 27 -3.890 -17.443 15.182 186 HA GLN 27 HA GLN 27 -2.324 -19.315 13.462 187 1HB GLN 27 HB2 GLN 27 -3.377 -21.112 14.743 188 2HB GLN 27 HB3 GLN 27 -2.423 -20.054 15.777 189 1HG GLN 27 HG2 GLN 27 -5.464 -19.858 15.504 190 2HG GLN 27 HG3 GLN 27 -4.651 -20.864 16.695 191 1HE2 GLN 27 1HE2 GLN 27 -3.676 -18.166 18.810 192 2HE2 GLN 27 2HE2 GLN 27 -3.366 -19.844 18.405 193 HA PRO 28 HA PRO 28 -5.945 -19.272 10.842 194 1HB PRO 28 HB2 PRO 28 -5.719 -21.516 9.418 195 2HB PRO 28 HB3 PRO 28 -4.465 -20.254 9.300 196 1HG PRO 28 HG2 PRO 28 -4.393 -22.749 11.026 197 2HG PRO 28 HG3 PRO 28 -3.131 -22.174 9.894 198 1HD PRO 28 HD2 PRO 28 -3.095 -21.654 12.569 199 2HD PRO 28 HD3 PRO 28 -2.474 -20.472 11.378 200 H GLN 29 H GLN 29 -7.787 -21.004 10.195 201 HA GLN 29 HA GLN 29 -8.701 -22.322 12.744 202 1HB GLN 29 HB2 GLN 29 -10.343 -21.003 10.549 203 2HB GLN 29 HB3 GLN 29 -10.947 -21.769 12.021 204 1HG GLN 29 HG2 GLN 29 -10.974 -19.417 12.427 205 2HG GLN 29 HG3 GLN 29 -9.647 -20.089 13.381 206 1HE2 GLN 29 1HE2 GLN 29 -7.504 -17.610 12.002 207 2HE2 GLN 29 2HE2 GLN 29 -8.047 -18.456 13.431 208 H THR 30 H THR 30 -8.946 -24.548 12.581 209 HA THR 30 HA THR 30 -8.265 -26.096 10.467 210 HB THR 30 HB THR 30 -10.563 -26.749 12.364 211 HG1 THR 30 HG1 THR 30 -8.876 -27.174 13.886 212 1HG2 THR 30 1HG2 THR 30 -8.205 -28.385 11.319 213 2HG2 THR 30 2HG2 THR 30 -9.473 -28.972 12.417 214 3HG2 THR 30 3HG2 THR 30 -9.891 -28.512 10.758 215 H CYS 31 H CYS 31 -9.146 -26.426 8.399 216 HA CYS 31 HA CYS 31 -11.618 -25.189 7.675 217 1HB CYS 31 HB2 CYS 31 -9.763 -25.666 6.080 218 2HB CYS 31 HB3 CYS 31 -10.114 -27.385 6.239 219 HA PRO 32 HA PRO 32 -13.950 -28.637 9.476 220 1HB PRO 32 HB2 PRO 32 -16.501 -27.748 9.179 221 2HB PRO 32 HB3 PRO 32 -15.346 -27.046 10.356 222 1HG PRO 32 HG2 PRO 32 -16.007 -25.988 7.590 223 2HG PRO 32 HG3 PRO 32 -15.987 -25.087 9.132 224 1HD PRO 32 HD2 PRO 32 -13.858 -25.099 7.433 225 2HD PRO 32 HD3 PRO 32 -13.634 -25.076 9.206 226 H THR 33 H THR 33 -14.689 -27.250 6.241 227 HA THR 33 HA THR 33 -16.274 -29.108 5.095 228 HB THR 33 HB THR 33 -13.896 -27.934 3.632 229 HG1 THR 33 HG1 THR 33 -16.139 -26.455 4.526 230 1HG2 THR 33 1HG2 THR 33 -15.583 -27.415 1.923 231 2HG2 THR 33 2HG2 THR 33 -15.622 -29.145 2.316 232 3HG2 THR 33 3HG2 THR 33 -16.873 -28.063 2.959 233 H CYS 34 H CYS 34 -12.765 -29.413 5.612 234 HA CYS 34 HA CYS 34 -12.861 -32.254 4.629 235 1HB CYS 34 HB2 CYS 34 -10.437 -31.937 4.164 236 2HB CYS 34 HB3 CYS 34 -11.505 -31.088 3.082 237 H HIS 35 H HIS 35 -13.288 -30.899 7.385 238 HA HIS 35 HA HIS 35 -12.649 -31.186 9.552 239 1HB HIS 35 HB2 HIS 35 -11.970 -33.986 8.576 240 2HB HIS 35 HB3 HIS 35 -12.383 -33.512 10.224 241 HD1 HIS 35 HD1 HIS 35 -14.924 -31.710 8.421 242 HD2 HIS 35 HD2 HIS 35 -14.086 -35.774 9.155 243 HE1 HIS 35 HE1 HIS 35 -17.103 -32.977 8.094 244 H GLY 36 H GLY 36 -10.641 -29.898 8.163 245 1HA GLY 36 HA2 GLY 36 -8.503 -29.201 8.536 246 2HA GLY 36 HA3 GLY 36 -8.364 -30.370 9.849 247 H SER 37 H SER 37 -9.109 -32.348 7.255 248 HA SER 37 HA SER 37 -6.407 -33.309 7.142 249 1HB SER 37 HB2 SER 37 -7.227 -34.892 5.517 250 2HB SER 37 HB3 SER 37 -8.412 -34.752 6.827 251 HG SER 37 HG SER 37 -9.755 -33.649 5.499 252 H GLY 38 H GLY 38 -8.403 -31.513 4.897 253 1HA GLY 38 HA2 GLY 38 -7.488 -29.772 3.409 254 2HA GLY 38 HA3 GLY 38 -6.036 -30.751 3.208 255 H GLN 39 H GLN 39 -8.705 -32.889 3.281 256 HA GLN 39 HA GLN 39 -9.080 -32.755 0.327 257 1HB GLN 39 HB2 GLN 39 -9.054 -35.273 0.397 258 2HB GLN 39 HB3 GLN 39 -7.498 -34.456 0.586 259 1HG GLN 39 HG2 GLN 39 -7.563 -34.814 3.030 260 2HG GLN 39 HG3 GLN 39 -9.146 -35.602 2.886 261 1HE2 GLN 39 1HE2 GLN 39 -5.784 -37.572 1.492 262 2HE2 GLN 39 2HE2 GLN 39 -5.828 -35.819 1.435 263 H VAL 40 H VAL 40 -11.129 -32.861 -0.317 264 HA VAL 40 HA VAL 40 -13.282 -33.266 1.714 265 HB VAL 40 HB VAL 40 -14.751 -32.598 -0.238 266 1HG1 VAL 40 1HG1 VAL 40 -14.356 -30.219 0.043 267 2HG1 VAL 40 2HG1 VAL 40 -14.255 -31.104 1.580 268 3HG1 VAL 40 3HG1 VAL 40 -12.764 -30.559 0.772 269 1HG2 VAL 40 1HG2 VAL 40 -13.840 -31.375 -2.106 270 2HG2 VAL 40 2HG2 VAL 40 -12.186 -31.559 -1.509 271 3HG2 VAL 40 3HG2 VAL 40 -13.082 -32.969 -2.103 272 H GLN 41 H GLN 41 -14.469 -35.154 1.689 273 HA GLN 41 HA GLN 41 -14.033 -37.016 -0.600 274 1HB GLN 41 HB2 GLN 41 -12.939 -37.783 1.411 275 2HB GLN 41 HB3 GLN 41 -14.487 -37.733 2.286 276 1HG GLN 41 HG2 GLN 41 -15.432 -39.399 0.686 277 2HG GLN 41 HG3 GLN 41 -13.928 -39.402 -0.235 278 1HE2 GLN 41 1HE2 GLN 41 -13.394 -42.384 1.649 279 2HE2 GLN 41 2HE2 GLN 41 -14.002 -41.738 0.124 280 H MET 42 H MET 42 -15.730 -37.148 -1.794 281 HA MET 42 HA MET 42 -18.419 -36.284 -1.051 282 1HB MET 42 HB2 MET 42 -17.563 -38.040 -3.380 283 2HB MET 42 HB3 MET 42 -18.996 -37.016 -3.281 284 1HG MET 42 HG2 MET 42 -16.099 -36.081 -3.546 285 2HG MET 42 HG3 MET 42 -17.332 -36.132 -4.784 286 1HE MET 42 HE1 MET 42 -16.893 -32.802 -1.663 287 2HE MET 42 HE2 MET 42 -17.288 -34.400 -1.027 288 3HE MET 42 HE3 MET 42 -15.759 -34.150 -1.912 289 H ARG 43 H ARG 43 -20.257 -37.794 -1.012 290 HA ARG 43 HA ARG 43 -19.665 -40.647 -0.453 291 1HB ARG 43 HB2 ARG 43 -21.130 -38.895 1.572 292 2HB ARG 43 HB3 ARG 43 -20.855 -40.644 1.667 293 1HG ARG 43 HG2 ARG 43 -18.362 -40.148 1.580 294 2HG ARG 43 HG3 ARG 43 -18.765 -38.438 1.808 295 1HD ARG 43 HD2 ARG 43 -19.950 -39.050 3.926 296 2HD ARG 43 HD3 ARG 43 -19.360 -40.708 3.758 297 HE ARG 43 HE ARG 43 -17.915 -38.375 4.662 298 1HH1 ARG 43 1HH1 ARG 43 -15.637 -38.346 4.889 299 2HH1 ARG 43 2HH1 ARG 43 -14.673 -39.596 4.128 300 1HH2 ARG 43 1HH2 ARG 43 -17.427 -41.451 2.985 301 2HH2 ARG 43 2HH2 ARG 43 -15.690 -41.430 3.184 302 H GLN 44 H GLN 44 -20.827 -39.502 -2.717 303 HA GLN 44 HA GLN 44 -23.277 -40.916 -2.912 304 1HB GLN 44 HB2 GLN 44 -24.751 -39.010 -3.372 305 2HB GLN 44 HB3 GLN 44 -24.116 -38.965 -1.733 306 1HG GLN 44 HG2 GLN 44 -22.847 -37.301 -3.939 307 2HG GLN 44 HG3 GLN 44 -24.249 -36.748 -3.025 308 1HE2 GLN 44 1HE2 GLN 44 -22.458 -36.417 0.104 309 2HE2 GLN 44 2HE2 GLN 44 -24.006 -36.956 -0.514 310 H GLY 45 H GLY 45 -24.206 -39.578 -5.254 311 1HA GLY 45 HA2 GLY 45 -23.715 -39.157 -7.453 312 2HA GLY 45 HA3 GLY 45 -21.996 -39.019 -7.059 313 H PHE 46 H PHE 46 -21.087 -41.307 -6.242 314 HA PHE 46 HA PHE 46 -22.243 -43.623 -7.559 315 1HB PHE 46 HB2 PHE 46 -20.525 -44.087 -9.141 316 2HB PHE 46 HB3 PHE 46 -21.266 -42.548 -9.530 317 HD1 PHE 46 HD1 PHE 46 -18.192 -44.252 -9.229 318 HD2 PHE 46 HD2 PHE 46 -19.979 -40.375 -8.595 319 HE1 PHE 46 HE1 PHE 46 -15.952 -43.194 -9.304 320 HE2 PHE 46 HE2 PHE 46 -17.732 -39.345 -8.576 321 HZ PHE 46 HZ PHE 46 -15.715 -40.746 -8.965 322 H PHE 47 H PHE 47 -19.029 -42.426 -6.434 323 HA PHE 47 HA PHE 47 -18.951 -44.571 -4.381 324 1HB PHE 47 HB2 PHE 47 -16.696 -43.789 -6.269 325 2HB PHE 47 HB3 PHE 47 -16.543 -44.911 -4.918 326 HD1 PHE 47 HD1 PHE 47 -19.149 -46.548 -5.479 327 HD2 PHE 47 HD2 PHE 47 -15.787 -45.310 -7.887 328 HE1 PHE 47 HE1 PHE 47 -19.576 -48.406 -7.035 329 HE2 PHE 47 HE2 PHE 47 -16.213 -47.194 -9.434 330 HZ PHE 47 HZ PHE 47 -18.123 -48.734 -9.028 331 H ALA 48 H ALA 48 -17.531 -43.981 -2.616 332 HA ALA 48 HA ALA 48 -17.727 -41.176 -2.057 333 1HB ALA 48 HB1 ALA 48 -16.815 -41.806 0.159 334 2HB ALA 48 HB2 ALA 48 -18.149 -42.866 -0.334 335 3HB ALA 48 HB3 ALA 48 -16.470 -43.438 -0.451 336 H VAL 49 H VAL 49 -16.292 -40.773 -4.073 337 HA VAL 49 HA VAL 49 -13.402 -41.048 -3.655 338 HB VAL 49 HB VAL 49 -13.213 -39.785 -5.783 339 1HG1 VAL 49 1HG1 VAL 49 -13.378 -42.213 -5.614 340 2HG1 VAL 49 2HG1 VAL 49 -15.143 -42.120 -5.779 341 3HG1 VAL 49 3HG1 VAL 49 -14.096 -41.617 -7.132 342 1HG2 VAL 49 1HG2 VAL 49 -15.143 -39.222 -7.112 343 2HG2 VAL 49 2HG2 VAL 49 -16.266 -39.834 -5.886 344 3HG2 VAL 49 3HG2 VAL 49 -15.291 -38.383 -5.563 345 H GLN 50 H GLN 50 -12.009 -38.968 -4.107 346 HA GLN 50 HA GLN 50 -13.101 -36.730 -2.555 347 1HB GLN 50 HB2 GLN 50 -11.279 -36.824 -0.945 348 2HB GLN 50 HB3 GLN 50 -11.917 -38.472 -1.074 349 1HG GLN 50 HG2 GLN 50 -10.012 -39.122 -2.455 350 2HG GLN 50 HG3 GLN 50 -9.493 -37.428 -2.601 351 1HE2 GLN 50 1HE2 GLN 50 -9.019 -38.785 1.224 352 2HE2 GLN 50 2HE2 GLN 50 -10.554 -39.107 0.422 353 H GLN 51 H GLN 51 -11.680 -34.853 -2.483 354 HA GLN 51 HA GLN 51 -9.737 -34.610 -4.691 355 1HB GLN 51 HB2 GLN 51 -11.938 -32.529 -4.401 356 2HB GLN 51 HB3 GLN 51 -10.723 -32.690 -5.660 357 1HG GLN 51 HG2 GLN 51 -12.632 -33.393 -6.751 358 2HG GLN 51 HG3 GLN 51 -11.912 -34.930 -6.280 359 1HE2 GLN 51 1HE2 GLN 51 -15.306 -33.520 -4.305 360 2HE2 GLN 51 2HE2 GLN 51 -14.130 -32.386 -4.939 361 H THR 52 H THR 52 -8.457 -32.552 -4.410 362 HA THR 52 HA THR 52 -7.776 -32.008 -1.707 363 HB THR 52 HB THR 52 -7.365 -30.265 -4.187 364 HG1 THR 52 HG1 THR 52 -5.460 -31.551 -4.422 365 1HG2 THR 52 1HG2 THR 52 -5.718 -30.632 -1.642 366 2HG2 THR 52 2HG2 THR 52 -5.245 -29.640 -3.039 367 3HG2 THR 52 3HG2 THR 52 -6.667 -29.190 -2.085 368 H CYS 53 H CYS 53 -8.669 -30.424 -0.275 369 HA CYS 53 HA CYS 53 -11.234 -29.365 -0.920 370 1HB CYS 53 HB2 CYS 53 -10.498 -29.866 1.366 371 2HB CYS 53 HB3 CYS 53 -9.340 -28.537 1.280 372 HA PRO 54 HA PRO 54 -9.414 -25.878 -3.194 373 1HB PRO 54 HB2 PRO 54 -11.683 -24.643 -4.085 374 2HB PRO 54 HB3 PRO 54 -11.068 -26.175 -4.768 375 1HG PRO 54 HG2 PRO 54 -13.248 -25.832 -2.695 376 2HG PRO 54 HG3 PRO 54 -13.277 -26.840 -4.167 377 1HD PRO 54 HD2 PRO 54 -12.671 -27.870 -1.721 378 2HD PRO 54 HD3 PRO 54 -11.873 -28.463 -3.206 379 H HIS 55 H HIS 55 -12.091 -25.459 -0.860 380 HA HIS 55 HA HIS 55 -12.024 -22.769 -0.437 381 1HB HIS 55 HB2 HIS 55 -13.611 -24.476 0.521 382 2HB HIS 55 HB3 HIS 55 -12.420 -24.799 1.790 383 HD1 HIS 55 HD1 HIS 55 -12.000 -21.290 1.543 384 HD2 HIS 55 HD2 HIS 55 -15.109 -23.810 2.855 385 HE1 HIS 55 HE1 HIS 55 -13.515 -19.874 3.046 386 H CYS 56 H CYS 56 -9.780 -25.114 1.013 387 HA CYS 56 HA CYS 56 -8.179 -22.859 2.190 388 1HB CYS 56 HB2 CYS 56 -7.263 -24.547 3.718 389 2HB CYS 56 HB3 CYS 56 -8.985 -24.279 3.956 390 H GLN 57 H GLN 57 -8.235 -24.280 -0.618 391 HA GLN 57 HA GLN 57 -6.773 -25.077 -2.142 392 1HB GLN 57 HB2 GLN 57 -4.800 -23.254 -0.697 393 2HB GLN 57 HB3 GLN 57 -4.738 -23.801 -2.368 394 1HG GLN 57 HG2 GLN 57 -5.515 -21.585 -2.465 395 2HG GLN 57 HG3 GLN 57 -6.933 -22.589 -2.781 396 1HE2 GLN 57 1HE2 GLN 57 -8.749 -21.238 -0.030 397 2HE2 GLN 57 2HE2 GLN 57 -8.746 -22.236 -1.467 398 H GLY 58 H GLY 58 -7.111 -26.933 -0.206 399 1HA GLY 58 HA2 GLY 58 -6.234 -28.928 0.463 400 2HA GLY 58 HA3 GLY 58 -4.772 -28.569 -0.462 401 H ARG 59 H ARG 59 -5.001 -26.007 1.734 402 HA ARG 59 HA ARG 59 -2.858 -27.174 3.319 403 1HB ARG 59 HB2 ARG 59 -4.240 -24.483 3.651 404 2HB ARG 59 HB3 ARG 59 -2.684 -24.993 4.323 405 1HG ARG 59 HG2 ARG 59 -1.922 -25.418 1.911 406 2HG ARG 59 HG3 ARG 59 -3.354 -24.553 1.381 407 1HD ARG 59 HD2 ARG 59 -0.984 -23.546 2.984 408 2HD ARG 59 HD3 ARG 59 -1.548 -22.979 1.413 409 HE ARG 59 HE ARG 59 -2.111 -21.810 3.821 410 1HH1 ARG 59 1HH1 ARG 59 -5.150 -21.465 1.189 411 2HH1 ARG 59 2HH1 ARG 59 -4.603 -23.062 1.622 412 1HH2 ARG 59 1HH2 ARG 59 -2.945 -19.871 3.479 413 2HH2 ARG 59 2HH2 ARG 59 -4.292 -19.588 2.400 414 H GLY 60 H GLY 60 -6.141 -27.573 3.635 415 1HA GLY 60 HA2 GLY 60 -7.505 -28.331 5.328 416 2HA GLY 60 HA3 GLY 60 -6.036 -28.720 6.224 417 H THR 61 H THR 61 -5.845 -25.421 5.625 418 HA THR 61 HA THR 61 -7.126 -24.653 8.204 419 HB THR 61 HB THR 61 -5.084 -23.050 8.089 420 HG1 THR 61 HG1 THR 61 -4.029 -25.295 6.693 421 1HG2 THR 61 1HG2 THR 61 -3.743 -24.696 9.397 422 2HG2 THR 61 2HG2 THR 61 -5.451 -24.709 9.876 423 3HG2 THR 61 3HG2 THR 61 -4.808 -26.000 8.836 424 H LEU 62 H LEU 62 -8.460 -23.026 8.065 425 HA LEU 62 HA LEU 62 -8.682 -21.413 5.586 426 1HB LEU 62 HB2 LEU 62 -10.472 -21.729 8.043 427 2HB LEU 62 HB3 LEU 62 -10.738 -20.512 6.790 428 HG LEU 62 HG LEU 62 -10.739 -23.509 6.294 429 1HD1 LEU 62 1HD1 LEU 62 -12.996 -21.456 6.429 430 2HD1 LEU 62 2HD1 LEU 62 -13.189 -23.171 6.011 431 3HD1 LEU 62 3HD1 LEU 62 -12.672 -22.712 7.647 432 1HD2 LEU 62 1HD2 LEU 62 -11.745 -22.830 4.116 433 2HD2 LEU 62 2HD2 LEU 62 -11.392 -21.123 4.506 434 3HD2 LEU 62 3HD2 LEU 62 -10.080 -22.289 4.249 435 H ILE 63 H ILE 63 -8.454 -19.271 5.598 436 HA ILE 63 HA ILE 63 -6.923 -18.110 7.864 437 HB ILE 63 HB ILE 63 -7.010 -17.195 4.968 438 1HG1 ILE 63 2HG1 ILE 63 -6.229 -19.487 4.810 439 2HG1 ILE 63 3HG1 ILE 63 -4.948 -18.327 4.502 440 1HG2 ILE 63 1HG2 ILE 63 -5.029 -16.791 7.252 441 2HG2 ILE 63 2HG2 ILE 63 -4.875 -16.151 5.594 442 3HG2 ILE 63 3HG2 ILE 63 -6.200 -15.624 6.651 443 1HD1 ILE 63 1HD1 ILE 63 -3.979 -18.705 6.708 444 2HD1 ILE 63 2HD1 ILE 63 -5.327 -19.791 7.137 445 3HD1 ILE 63 3HD1 ILE 63 -4.187 -20.242 5.856 446 H LYS 64 H LYS 64 -9.174 -17.732 8.918 447 HA LYS 64 HA LYS 64 -10.885 -15.783 7.641 448 1HB LYS 64 HB2 LYS 64 -10.639 -16.699 10.531 449 2HB LYS 64 HB3 LYS 64 -11.608 -15.312 10.073 450 1HG LYS 64 HG2 LYS 64 -13.077 -17.138 10.184 451 2HG LYS 64 HG3 LYS 64 -12.931 -16.640 8.496 452 1HD LYS 64 HD2 LYS 64 -11.419 -18.569 8.061 453 2HD LYS 64 HD3 LYS 64 -11.466 -18.990 9.781 454 1HE LYS 64 HE2 LYS 64 -12.975 -20.456 8.620 455 2HE LYS 64 HE3 LYS 64 -13.928 -19.362 9.627 456 1HZ LYS 64 HZ1 LYS 64 -14.844 -19.608 7.436 457 2HZ LYS 64 HZ2 LYS 64 -14.371 -18.050 7.679 458 3HZ LYS 64 HZ3 LYS 64 -13.460 -19.051 6.740 459 H ASP 65 H ASP 65 -7.933 -15.706 9.507 460 HA ASP 65 HA ASP 65 -7.835 -12.752 9.791 461 1HB ASP 65 HB2 ASP 65 -6.052 -13.236 11.378 462 2HB ASP 65 HB3 ASP 65 -7.561 -14.036 11.815 463 HA PRO 66 HA PRO 66 -5.181 -13.834 6.076 464 1HB PRO 66 HB2 PRO 66 -5.610 -11.607 4.576 465 2HB PRO 66 HB3 PRO 66 -6.729 -13.000 4.637 466 1HG PRO 66 HG2 PRO 66 -6.898 -10.442 6.263 467 2HG PRO 66 HG3 PRO 66 -8.185 -11.190 5.267 468 1HD PRO 66 HD2 PRO 66 -8.108 -11.647 7.903 469 2HD PRO 66 HD3 PRO 66 -8.403 -13.010 6.776 470 H CYS 67 H CYS 67 -3.089 -13.698 6.353 471 HA CYS 67 HA CYS 67 -1.717 -11.485 7.601 472 1HB CYS 67 HB2 CYS 67 -0.774 -13.752 7.601 473 2HB CYS 67 HB3 CYS 67 -0.835 -13.811 5.842 474 H ASN 68 H ASN 68 -2.455 -9.675 6.498 475 HA ASN 68 HA ASN 68 -2.906 -9.095 3.922 476 1HB ASN 68 HB2 ASN 68 -3.158 -7.439 5.692 477 2HB ASN 68 HB3 ASN 68 -1.400 -7.312 5.867 478 1HD2 ASN 68 1HD2 ASN 68 -3.222 -5.602 2.569 479 2HD2 ASN 68 2HD2 ASN 68 -4.056 -6.880 3.430 480 H LYS 69 H LYS 69 0.402 -9.162 5.290 481 HA LYS 69 HA LYS 69 1.916 -8.205 3.228 482 1HB LYS 69 HB2 LYS 69 2.662 -9.083 5.486 483 2HB LYS 69 HB3 LYS 69 2.654 -10.708 4.774 484 1HG LYS 69 HG2 LYS 69 4.278 -9.896 3.033 485 2HG LYS 69 HG3 LYS 69 4.257 -8.298 3.797 486 1HD LYS 69 HD2 LYS 69 5.142 -9.275 5.896 487 2HD LYS 69 HD3 LYS 69 5.089 -10.893 5.176 488 1HE LYS 69 HE2 LYS 69 7.375 -10.038 5.119 489 2HE LYS 69 HE3 LYS 69 6.759 -10.211 3.469 490 1HZ LYS 69 HZ1 LYS 69 7.916 -8.154 3.801 491 2HZ LYS 69 HZ2 LYS 69 6.336 -7.865 3.443 492 3HZ LYS 69 HZ3 LYS 69 6.872 -7.701 4.994 493 H CYS 70 H CYS 70 0.337 -11.400 3.331 494 HA CYS 70 HA CYS 70 1.111 -11.872 0.460 495 1HB CYS 70 HB2 CYS 70 1.102 -14.252 0.984 496 2HB CYS 70 HB3 CYS 70 2.318 -13.413 1.946 497 H HIS 71 H HIS 71 -1.354 -10.744 2.144 498 HA HIS 71 HA HIS 71 -3.623 -10.974 2.248 499 1HB HIS 71 HB2 HIS 71 -3.047 -11.588 -0.670 500 2HB HIS 71 HB3 HIS 71 -4.687 -11.431 -0.034 501 HD1 HIS 71 HD1 HIS 71 -1.764 -9.018 0.840 502 HD2 HIS 71 HD2 HIS 71 -5.518 -9.222 -1.063 503 HE1 HIS 71 HE1 HIS 71 -2.398 -6.639 0.223 504 H GLY 72 H GLY 72 -2.389 -13.161 3.414 505 1HA GLY 72 HA2 GLY 72 -2.935 -15.196 4.227 506 2HA GLY 72 HA3 GLY 72 -4.517 -15.037 3.464 507 H HIS 73 H HIS 73 -2.033 -14.933 1.042 508 HA HIS 73 HA HIS 73 -2.827 -17.577 0.102 509 1HB HIS 73 HB2 HIS 73 -0.706 -15.661 -0.927 510 2HB HIS 73 HB3 HIS 73 -1.251 -17.140 -1.729 511 HD1 HIS 73 HD1 HIS 73 -2.628 -13.690 -0.765 512 HD2 HIS 73 HD2 HIS 73 -3.505 -17.060 -3.118 513 HE1 HIS 73 HE1 HIS 73 -4.662 -13.074 -2.208 514 H GLY 74 H GLY 74 -0.010 -16.186 1.667 515 1HA GLY 74 HA2 GLY 74 1.270 -17.447 3.253 516 2HA GLY 74 HA3 GLY 74 1.005 -18.920 2.331 517 H ARG 75 H ARG 75 1.888 -16.284 0.238 518 HA ARG 75 HA ARG 75 4.763 -16.794 0.553 519 1HB ARG 75 HB2 ARG 75 5.165 -17.525 -1.612 520 2HB ARG 75 HB3 ARG 75 3.839 -18.525 -1.041 521 1HG ARG 75 HG2 ARG 75 3.718 -16.193 -3.010 522 2HG ARG 75 HG3 ARG 75 3.545 -17.910 -3.358 523 1HD ARG 75 HD2 ARG 75 1.592 -16.114 -1.884 524 2HD ARG 75 HD3 ARG 75 1.351 -16.894 -3.430 525 HE ARG 75 HE ARG 75 1.027 -18.054 -0.774 526 1HH1 ARG 75 1HH1 ARG 75 1.740 -18.935 -4.109 527 2HH1 ARG 75 2HH1 ARG 75 0.960 -20.492 -4.006 528 1HH2 ARG 75 1HH2 ARG 75 -0.116 -19.969 -0.652 529 2HH2 ARG 75 2HH2 ARG 75 -0.051 -21.131 -1.957 530 H VAL 76 H VAL 76 6.104 -15.263 -0.551 531 HA VAL 76 HA VAL 76 4.773 -12.723 -1.359 532 HB VAL 76 HB VAL 76 6.491 -11.500 -0.034 533 1HG1 VAL 76 1HG1 VAL 76 4.204 -11.800 0.847 534 2HG1 VAL 76 2HG1 VAL 76 4.711 -13.303 1.648 535 3HG1 VAL 76 3HG1 VAL 76 5.411 -11.758 2.147 536 1HG2 VAL 76 1HG2 VAL 76 8.187 -13.301 0.230 537 2HG2 VAL 76 2HG2 VAL 76 7.703 -12.616 1.785 538 3HG2 VAL 76 3HG2 VAL 76 7.076 -14.195 1.289 539 H GLU 77 H GLU 77 6.175 -11.377 -2.667 540 HA GLU 77 HA GLU 77 7.983 -12.977 -4.361 541 1HB GLU 77 HB2 GLU 77 6.197 -11.516 -5.342 542 2HB GLU 77 HB3 GLU 77 6.992 -10.114 -4.609 543 1HG GLU 77 HG2 GLU 77 9.066 -10.680 -5.993 544 2HG GLU 77 HG3 GLU 77 8.117 -11.948 -6.779 545 H ARG 78 H ARG 78 10.165 -12.436 -4.685 546 HA ARG 78 HA ARG 78 11.539 -11.124 -2.487 547 1HB ARG 78 HB2 ARG 78 12.248 -13.133 -4.048 548 2HB ARG 78 HB3 ARG 78 12.814 -11.878 -5.137 549 1HG ARG 78 HG2 ARG 78 14.159 -10.977 -3.106 550 2HG ARG 78 HG3 ARG 78 13.671 -12.464 -2.272 551 1HD ARG 78 HD2 ARG 78 14.653 -13.782 -4.193 552 2HD ARG 78 HD3 ARG 78 15.272 -12.257 -4.862 553 HE ARG 78 HE ARG 78 16.095 -12.489 -2.148 554 1HH1 ARG 78 1HH1 ARG 78 17.979 -13.561 -1.456 555 2HH1 ARG 78 2HH1 ARG 78 18.929 -14.508 -2.567 556 1HH2 ARG 78 1HH2 ARG 78 16.790 -13.913 -5.346 557 2HH2 ARG 78 2HH2 ARG 78 18.169 -14.804 -4.768 558 H SER 79 H SER 79 9.834 -9.195 -3.411 559 HA SER 79 HA SER 79 10.704 -7.588 -5.552 560 1HB SER 79 HB2 SER 79 9.262 -6.678 -3.030 561 2HB SER 79 HB3 SER 79 9.167 -5.953 -4.646 562 HG SER 79 HG SER 79 8.219 -7.961 -5.359 Start of MODEL 4 1 H GLY 1 H GLY 1 20.313 0.845 -5.287 2 1HA GLY 1 HA2 GLY 1 22.512 -0.096 -3.922 3 2HA GLY 1 HA3 GLY 1 21.394 0.348 -2.615 4 H VAL 2 H VAL 2 19.135 -0.523 -2.823 5 HA VAL 2 HA VAL 2 19.022 -3.336 -3.144 6 HB VAL 2 HB VAL 2 16.768 -1.285 -3.254 7 1HG1 VAL 2 1HG1 VAL 2 16.007 -3.480 -4.099 8 2HG1 VAL 2 2HG1 VAL 2 16.711 -4.279 -2.674 9 3HG1 VAL 2 3HG1 VAL 2 15.337 -3.170 -2.495 10 1HG2 VAL 2 1HG2 VAL 2 17.952 -2.873 -0.928 11 2HG2 VAL 2 2HG2 VAL 2 18.059 -1.114 -1.146 12 3HG2 VAL 2 3HG2 VAL 2 16.492 -1.867 -0.844 13 H THR 3 H THR 3 18.500 -0.667 -5.399 14 HA THR 3 HA THR 3 17.389 -2.014 -7.622 15 HB THR 3 HB THR 3 18.523 0.118 -8.687 16 HG1 THR 3 HG1 THR 3 19.101 1.625 -7.045 17 1HG2 THR 3 1HG2 THR 3 16.523 0.404 -6.390 18 2HG2 THR 3 2HG2 THR 3 16.799 1.588 -7.684 19 3HG2 THR 3 3HG2 THR 3 16.126 -0.003 -8.072 20 H LYS 4 H LYS 4 20.721 -1.658 -6.437 21 HA LYS 4 HA LYS 4 21.925 -2.607 -8.952 22 1HB LYS 4 HB2 LYS 4 23.201 -2.030 -6.245 23 2HB LYS 4 HB3 LYS 4 24.022 -2.261 -7.794 24 1HG LYS 4 HG2 LYS 4 22.898 -0.218 -8.682 25 2HG LYS 4 HG3 LYS 4 22.101 0.015 -7.113 26 1HD LYS 4 HD2 LYS 4 24.339 0.171 -6.007 27 2HD LYS 4 HD3 LYS 4 25.116 -0.025 -7.587 28 1HE LYS 4 HE2 LYS 4 25.077 2.334 -6.990 29 2HE LYS 4 HE3 LYS 4 24.017 2.070 -8.384 30 1HZ LYS 4 HZ1 LYS 4 23.039 3.488 -6.718 31 2HZ LYS 4 HZ2 LYS 4 22.152 2.112 -6.894 32 3HZ LYS 4 HZ3 LYS 4 23.132 2.295 -5.585 33 H GLU 5 H GLU 5 21.306 -3.666 -5.626 34 HA GLU 5 HA GLU 5 22.635 -6.159 -5.649 35 1HB GLU 5 HB2 GLU 5 20.157 -5.148 -4.230 36 2HB GLU 5 HB3 GLU 5 20.907 -6.701 -3.827 37 1HG GLU 5 HG2 GLU 5 22.858 -5.676 -2.963 38 2HG GLU 5 HG3 GLU 5 22.557 -4.147 -3.791 39 H ILE 6 H ILE 6 21.947 -8.253 -6.167 40 HA ILE 6 HA ILE 6 20.230 -8.453 -8.460 41 HB ILE 6 HB ILE 6 20.764 -10.888 -8.299 42 1HG1 ILE 6 2HG1 ILE 6 22.761 -10.152 -6.118 43 2HG1 ILE 6 3HG1 ILE 6 21.165 -10.781 -5.707 44 1HG2 ILE 6 1HG2 ILE 6 23.123 -8.958 -8.229 45 2HG2 ILE 6 2HG2 ILE 6 23.101 -10.563 -8.985 46 3HG2 ILE 6 3HG2 ILE 6 22.076 -9.276 -9.625 47 1HD1 ILE 6 1HD1 ILE 6 22.764 -12.595 -5.756 48 2HD1 ILE 6 2HD1 ILE 6 21.592 -12.805 -7.071 49 3HD1 ILE 6 3HD1 ILE 6 23.233 -12.212 -7.420 50 H ARG 7 H ARG 7 18.345 -7.470 -7.209 51 HA ARG 7 HA ARG 7 16.738 -9.350 -5.608 52 1HB ARG 7 HB2 ARG 7 16.407 -6.507 -6.535 53 2HB ARG 7 HB3 ARG 7 15.005 -7.426 -5.980 54 1HG ARG 7 HG2 ARG 7 16.016 -6.118 -4.174 55 2HG ARG 7 HG3 ARG 7 15.915 -7.849 -3.834 56 1HD ARG 7 HD2 ARG 7 18.346 -8.101 -4.356 57 2HD ARG 7 HD3 ARG 7 18.377 -6.405 -4.865 58 HE ARG 7 HE ARG 7 18.720 -5.817 -2.698 59 1HH1 ARG 7 1HH1 ARG 7 19.252 -6.200 -0.595 60 2HH1 ARG 7 2HH1 ARG 7 18.621 -7.577 0.285 61 1HH2 ARG 7 1HH2 ARG 7 17.153 -8.996 -2.637 62 2HH2 ARG 7 2HH2 ARG 7 17.421 -9.226 -0.930 63 H ILE 8 H ILE 8 17.291 -10.818 -7.625 64 HA ILE 8 HA ILE 8 15.521 -10.588 -9.856 65 HB ILE 8 HB ILE 8 16.147 -12.978 -10.287 66 1HG1 ILE 8 2HG1 ILE 8 18.180 -12.570 -8.053 67 2HG1 ILE 8 3HG1 ILE 8 16.726 -13.562 -7.894 68 1HG2 ILE 8 1HG2 ILE 8 18.381 -12.317 -11.083 69 2HG2 ILE 8 2HG2 ILE 8 17.260 -10.976 -11.283 70 3HG2 ILE 8 3HG2 ILE 8 18.416 -10.960 -9.938 71 1HD1 ILE 8 1HD1 ILE 8 19.020 -14.055 -9.819 72 2HD1 ILE 8 2HD1 ILE 8 18.564 -15.002 -8.398 73 3HD1 ILE 8 3HD1 ILE 8 17.490 -14.965 -9.809 74 HA PRO 9 HA PRO 9 11.685 -11.816 -7.901 75 1HB PRO 9 HB2 PRO 9 11.333 -13.229 -10.563 76 2HB PRO 9 HB3 PRO 9 10.116 -12.336 -9.614 77 1HG PRO 9 HG2 PRO 9 11.356 -11.116 -11.681 78 2HG PRO 9 HG3 PRO 9 11.204 -10.240 -10.129 79 1HD PRO 9 HD2 PRO 9 13.620 -11.714 -11.213 80 2HD PRO 9 HD3 PRO 9 13.503 -10.121 -10.397 81 H THR 10 H THR 10 12.176 -13.269 -6.275 82 HA THR 10 HA THR 10 12.224 -16.163 -6.980 83 HB THR 10 HB THR 10 13.917 -14.926 -4.768 84 HG1 THR 10 HG1 THR 10 14.616 -14.218 -6.863 85 1HG2 THR 10 1HG2 THR 10 14.012 -17.598 -6.232 86 2HG2 THR 10 2HG2 THR 10 15.097 -17.088 -4.923 87 3HG2 THR 10 3HG2 THR 10 13.373 -17.357 -4.584 88 H LEU 11 H LEU 11 10.651 -17.239 -5.805 89 HA LEU 11 HA LEU 11 8.979 -15.665 -4.020 90 1HB LEU 11 HB2 LEU 11 8.887 -18.627 -4.690 91 2HB LEU 11 HB3 LEU 11 7.627 -17.691 -3.875 92 HG LEU 11 HG LEU 11 8.589 -17.308 -6.753 93 1HD1 LEU 11 1HD1 LEU 11 6.352 -18.090 -7.359 94 2HD1 LEU 11 2HD1 LEU 11 7.201 -19.311 -6.394 95 3HD1 LEU 11 3HD1 LEU 11 5.938 -18.313 -5.648 96 1HD2 LEU 11 1HD2 LEU 11 6.632 -15.712 -6.902 97 2HD2 LEU 11 2HD2 LEU 11 6.526 -15.757 -5.128 98 3HD2 LEU 11 3HD2 LEU 11 7.979 -15.123 -5.928 99 H GLU 12 H GLU 12 8.881 -15.688 -1.826 100 HA GLU 12 HA GLU 12 10.628 -17.568 -0.299 101 1HB GLU 12 HB2 GLU 12 10.377 -14.554 0.118 102 2HB GLU 12 HB3 GLU 12 11.297 -15.680 1.129 103 1HG GLU 12 HG2 GLU 12 12.721 -16.244 -0.870 104 2HG GLU 12 HG3 GLU 12 11.863 -15.002 -1.796 105 H GLU 13 H GLU 13 9.741 -18.122 1.754 106 HA GLU 13 HA GLU 13 6.880 -17.910 1.887 107 1HB GLU 13 HB2 GLU 13 6.955 -19.266 3.764 108 2HB GLU 13 HB3 GLU 13 8.302 -19.829 2.784 109 1HG GLU 13 HG2 GLU 13 9.859 -18.507 4.266 110 2HG GLU 13 HG3 GLU 13 8.468 -18.005 5.249 111 H CYS 14 H CYS 14 5.579 -16.666 3.299 112 HA CYS 14 HA CYS 14 6.787 -14.131 4.155 113 1HB CYS 14 HB2 CYS 14 4.570 -14.268 3.063 114 2HB CYS 14 HB3 CYS 14 3.993 -15.202 4.437 115 H ASP 15 H ASP 15 8.210 -14.757 5.759 116 HA ASP 15 HA ASP 15 7.964 -16.497 7.871 117 1HB ASP 15 HB2 ASP 15 9.674 -15.250 8.989 118 2HB ASP 15 HB3 ASP 15 10.010 -15.188 7.256 119 H VAL 16 H VAL 16 6.667 -13.220 7.679 120 HA VAL 16 HA VAL 16 5.782 -12.735 10.291 121 HB VAL 16 HB VAL 16 4.537 -11.997 7.615 122 1HG1 VAL 16 1HG1 VAL 16 3.491 -10.119 8.777 123 2HG1 VAL 16 2HG1 VAL 16 2.896 -11.660 9.398 124 3HG1 VAL 16 3HG1 VAL 16 4.102 -10.725 10.331 125 1HG2 VAL 16 1HG2 VAL 16 5.714 -9.809 8.107 126 2HG2 VAL 16 2HG2 VAL 16 6.545 -10.608 9.448 127 3HG2 VAL 16 3HG2 VAL 16 6.821 -11.148 7.777 128 H CYS 17 H CYS 17 4.167 -14.733 7.777 129 HA CYS 17 HA CYS 17 2.204 -15.631 9.882 130 1HB CYS 17 HB2 CYS 17 0.811 -16.348 8.034 131 2HB CYS 17 HB3 CYS 17 1.070 -14.600 8.070 132 H HIS 18 H HIS 18 5.106 -16.462 9.188 133 HA HIS 18 HA HIS 18 6.343 -18.325 9.052 134 1HB HIS 18 HB2 HIS 18 3.944 -19.728 10.249 135 2HB HIS 18 HB3 HIS 18 5.652 -20.134 10.458 136 HD1 HIS 18 HD1 HIS 18 6.195 -16.776 11.084 137 HD2 HIS 18 HD2 HIS 18 3.565 -19.522 12.896 138 HE1 HIS 18 HE1 HIS 18 5.603 -15.825 13.368 139 H GLY 19 H GLY 19 4.995 -17.631 6.696 140 1HA GLY 19 HA2 GLY 19 4.851 -18.510 4.603 141 2HA GLY 19 HA3 GLY 19 5.235 -20.109 5.231 142 H SER 20 H SER 20 2.525 -19.173 7.035 143 HA SER 20 HA SER 20 0.893 -20.985 5.429 144 1HB SER 20 HB2 SER 20 -0.761 -20.761 7.130 145 2HB SER 20 HB3 SER 20 0.809 -21.089 7.869 146 HG SER 20 HG SER 20 0.922 -18.942 8.519 147 H GLY 21 H GLY 21 -0.017 -17.868 6.758 148 1HA GLY 21 HA2 GLY 21 -0.512 -16.166 4.715 149 2HA GLY 21 HA3 GLY 21 -1.828 -17.317 4.482 150 H ALA 22 H ALA 22 -1.731 -17.651 7.682 151 HA ALA 22 HA ALA 22 -3.760 -15.557 8.094 152 1HB ALA 22 HB1 ALA 22 -2.719 -17.678 9.993 153 2HB ALA 22 HB2 ALA 22 -4.165 -16.668 10.193 154 3HB ALA 22 HB3 ALA 22 -4.115 -17.867 8.894 155 H LYS 23 H LYS 23 -3.509 -13.753 9.449 156 HA LYS 23 HA LYS 23 -0.988 -12.642 9.650 157 1HB LYS 23 HB2 LYS 23 -2.021 -10.847 10.971 158 2HB LYS 23 HB3 LYS 23 -2.995 -11.376 9.628 159 1HG LYS 23 HG2 LYS 23 -4.507 -11.007 11.357 160 2HG LYS 23 HG3 LYS 23 -4.378 -12.749 11.160 161 1HD LYS 23 HD2 LYS 23 -4.557 -12.137 13.497 162 2HD LYS 23 HD3 LYS 23 -3.006 -12.908 13.212 163 1HE LYS 23 HE2 LYS 23 -1.918 -10.646 13.192 164 2HE LYS 23 HE3 LYS 23 -3.505 -9.911 13.504 165 1HZ LYS 23 HZ1 LYS 23 -2.233 -10.215 15.494 166 2HZ LYS 23 HZ2 LYS 23 -3.561 -11.193 15.547 167 3HZ LYS 23 HZ3 LYS 23 -2.077 -11.833 15.205 168 HA PRO 24 HA PRO 24 1.599 -13.998 12.814 169 1HB PRO 24 HB2 PRO 24 1.110 -11.360 14.229 170 2HB PRO 24 HB3 PRO 24 2.638 -12.290 14.115 171 1HG PRO 24 HG2 PRO 24 2.218 -10.308 12.345 172 2HG PRO 24 HG3 PRO 24 2.763 -11.910 11.762 173 1HD PRO 24 HD2 PRO 24 -0.007 -10.747 11.738 174 2HD PRO 24 HD3 PRO 24 0.821 -11.661 10.446 175 H GLY 25 H GLY 25 1.423 -15.335 14.595 176 1HA GLY 25 HA2 GLY 25 0.736 -16.202 16.595 177 2HA GLY 25 HA3 GLY 25 -0.197 -14.736 16.916 178 H THR 26 H THR 26 -2.153 -14.566 15.167 179 HA THR 26 HA THR 26 -3.899 -16.741 15.854 180 HB THR 26 HB THR 26 -4.469 -14.596 13.801 181 HG1 THR 26 HG1 THR 26 -5.120 -13.364 15.651 182 1HG2 THR 26 1HG2 THR 26 -6.173 -16.048 15.888 183 2HG2 THR 26 2HG2 THR 26 -6.755 -14.784 14.790 184 3HG2 THR 26 3HG2 THR 26 -6.202 -16.334 14.131 185 H GLN 27 H GLN 27 -2.637 -18.470 14.963 186 HA GLN 27 HA GLN 27 -1.946 -18.854 12.307 187 1HB GLN 27 HB2 GLN 27 -1.958 -21.294 12.897 188 2HB GLN 27 HB3 GLN 27 -1.167 -20.301 14.111 189 1HG GLN 27 HG2 GLN 27 -2.796 -20.669 15.702 190 2HG GLN 27 HG3 GLN 27 -4.108 -20.839 14.540 191 1HE2 GLN 27 1HE2 GLN 27 -3.654 -24.321 13.987 192 2HE2 GLN 27 2HE2 GLN 27 -4.300 -22.855 13.263 193 HA PRO 28 HA PRO 28 -5.569 -19.743 9.921 194 1HB PRO 28 HB2 PRO 28 -4.425 -22.451 9.313 195 2HB PRO 28 HB3 PRO 28 -5.093 -21.256 8.152 196 1HG PRO 28 HG2 PRO 28 -2.423 -21.623 8.397 197 2HG PRO 28 HG3 PRO 28 -3.052 -19.944 8.326 198 1HD PRO 28 HD2 PRO 28 -2.292 -21.574 10.742 199 2HD PRO 28 HD3 PRO 28 -1.848 -19.884 10.359 200 H GLN 29 H GLN 29 -7.557 -21.021 10.000 201 HA GLN 29 HA GLN 29 -7.747 -22.655 12.509 202 1HB GLN 29 HB2 GLN 29 -9.909 -21.348 10.829 203 2HB GLN 29 HB3 GLN 29 -10.138 -22.198 12.363 204 1HG GLN 29 HG2 GLN 29 -8.501 -19.634 11.977 205 2HG GLN 29 HG3 GLN 29 -10.104 -19.765 12.699 206 1HE2 GLN 29 1HE2 GLN 29 -6.897 -20.467 15.052 207 2HE2 GLN 29 2HE2 GLN 29 -6.664 -19.930 13.403 208 H THR 30 H THR 30 -8.248 -24.832 12.478 209 HA THR 30 HA THR 30 -7.781 -26.406 10.287 210 HB THR 30 HB THR 30 -9.791 -27.075 12.481 211 HG1 THR 30 HG1 THR 30 -6.958 -26.976 12.709 212 1HG2 THR 30 1HG2 THR 30 -7.575 -28.699 11.137 213 2HG2 THR 30 2HG2 THR 30 -8.651 -29.271 12.429 214 3HG2 THR 30 3HG2 THR 30 -9.321 -28.862 10.841 215 H CYS 31 H CYS 31 -8.940 -26.844 8.393 216 HA CYS 31 HA CYS 31 -11.489 -25.609 7.972 217 1HB CYS 31 HB2 CYS 31 -9.888 -26.115 6.164 218 2HB CYS 31 HB3 CYS 31 -10.177 -27.839 6.406 219 HA PRO 32 HA PRO 32 -13.567 -29.034 10.107 220 1HB PRO 32 HB2 PRO 32 -16.125 -28.142 10.163 221 2HB PRO 32 HB3 PRO 32 -14.814 -27.427 11.157 222 1HG PRO 32 HG2 PRO 32 -15.853 -26.400 8.496 223 2HG PRO 32 HG3 PRO 32 -15.630 -25.482 10.013 224 1HD PRO 32 HD2 PRO 32 -13.747 -25.513 8.048 225 2HD PRO 32 HD3 PRO 32 -13.289 -25.467 9.775 226 H THR 33 H THR 33 -14.654 -27.673 6.963 227 HA THR 33 HA THR 33 -16.396 -29.522 6.042 228 HB THR 33 HB THR 33 -14.185 -28.408 4.302 229 HG1 THR 33 HG1 THR 33 -16.331 -26.969 5.472 230 1HG2 THR 33 1HG2 THR 33 -17.207 -28.589 3.924 231 2HG2 THR 33 2HG2 THR 33 -16.038 -27.948 2.751 232 3HG2 THR 33 3HG2 THR 33 -16.004 -29.667 3.190 233 H CYS 34 H CYS 34 -12.863 -29.929 6.182 234 HA CYS 34 HA CYS 34 -13.153 -32.795 5.312 235 1HB CYS 34 HB2 CYS 34 -10.723 -32.534 4.609 236 2HB CYS 34 HB3 CYS 34 -11.911 -31.819 3.561 237 H HIS 35 H HIS 35 -13.129 -31.203 8.040 238 HA HIS 35 HA HIS 35 -12.222 -31.413 10.118 239 1HB HIS 35 HB2 HIS 35 -11.691 -34.288 9.266 240 2HB HIS 35 HB3 HIS 35 -11.881 -33.682 10.910 241 HD1 HIS 35 HD1 HIS 35 -14.658 -32.036 9.302 242 HD2 HIS 35 HD2 HIS 35 -13.686 -36.015 10.286 243 HE1 HIS 35 HE1 HIS 35 -16.847 -33.325 9.379 244 H GLY 36 H GLY 36 -10.431 -30.292 8.298 245 1HA GLY 36 HA2 GLY 36 -8.238 -29.642 8.232 246 2HA GLY 36 HA3 GLY 36 -7.884 -30.711 9.592 247 H SER 37 H SER 37 -9.194 -32.844 7.449 248 HA SER 37 HA SER 37 -6.734 -34.066 6.856 249 1HB SER 37 HB2 SER 37 -9.395 -34.592 5.496 250 2HB SER 37 HB3 SER 37 -8.050 -35.724 5.767 251 HG SER 37 HG SER 37 -9.922 -34.625 7.565 252 H GLY 38 H GLY 38 -8.581 -31.746 5.032 253 1HA GLY 38 HA2 GLY 38 -7.607 -30.352 3.380 254 2HA GLY 38 HA3 GLY 38 -6.445 -31.602 2.962 255 H GLN 39 H GLN 39 -9.078 -33.500 2.932 256 HA GLN 39 HA GLN 39 -10.072 -32.619 0.279 257 1HB GLN 39 HB2 GLN 39 -10.038 -35.228 -0.184 258 2HB GLN 39 HB3 GLN 39 -8.707 -34.159 -0.608 259 1HG GLN 39 HG2 GLN 39 -7.916 -36.261 0.376 260 2HG GLN 39 HG3 GLN 39 -7.398 -34.845 1.288 261 1HE2 GLN 39 1HE2 GLN 39 -9.849 -37.604 3.063 262 2HE2 GLN 39 2HE2 GLN 39 -9.483 -37.750 1.352 263 H VAL 40 H VAL 40 -12.063 -33.241 -0.265 264 HA VAL 40 HA VAL 40 -13.904 -33.940 1.982 265 HB VAL 40 HB VAL 40 -15.641 -33.220 0.260 266 1HG1 VAL 40 1HG1 VAL 40 -15.026 -31.770 2.112 267 2HG1 VAL 40 2HG1 VAL 40 -13.674 -31.099 1.164 268 3HG1 VAL 40 3HG1 VAL 40 -15.355 -30.838 0.632 269 1HG2 VAL 40 1HG2 VAL 40 -14.132 -33.381 -1.741 270 2HG2 VAL 40 2HG2 VAL 40 -15.003 -31.842 -1.612 271 3HG2 VAL 40 3HG2 VAL 40 -13.288 -31.913 -1.190 272 H GLN 41 H GLN 41 -15.514 -35.580 1.548 273 HA GLN 41 HA GLN 41 -14.908 -37.405 -0.704 274 1HB GLN 41 HB2 GLN 41 -13.995 -38.245 1.484 275 2HB GLN 41 HB3 GLN 41 -15.655 -38.353 2.080 276 1HG GLN 41 HG2 GLN 41 -16.221 -39.975 0.322 277 2HG GLN 41 HG3 GLN 41 -14.693 -39.694 -0.500 278 1HE2 GLN 41 1HE2 GLN 41 -13.811 -42.753 1.143 279 2HE2 GLN 41 2HE2 GLN 41 -14.450 -42.074 -0.354 280 H MET 42 H MET 42 -16.598 -37.362 -2.016 281 HA MET 42 HA MET 42 -19.221 -36.400 -1.127 282 1HB MET 42 HB2 MET 42 -18.309 -37.527 -3.811 283 2HB MET 42 HB3 MET 42 -19.860 -36.763 -3.453 284 1HG MET 42 HG2 MET 42 -18.216 -34.799 -2.544 285 2HG MET 42 HG3 MET 42 -17.124 -35.564 -3.698 286 1HE MET 42 HE1 MET 42 -21.083 -33.396 -4.680 287 2HE MET 42 HE2 MET 42 -21.084 -34.950 -3.821 288 3HE MET 42 HE3 MET 42 -20.348 -33.519 -3.065 289 H ARG 43 H ARG 43 -19.309 -38.070 0.541 290 HA ARG 43 HA ARG 43 -19.649 -40.865 -0.074 291 1HB ARG 43 HB2 ARG 43 -20.396 -39.242 2.385 292 2HB ARG 43 HB3 ARG 43 -20.455 -41.013 2.281 293 1HG ARG 43 HG2 ARG 43 -18.065 -41.122 1.775 294 2HG ARG 43 HG3 ARG 43 -17.947 -39.353 1.820 295 1HD ARG 43 HD2 ARG 43 -18.581 -39.334 4.180 296 2HD ARG 43 HD3 ARG 43 -18.706 -41.113 4.176 297 HE ARG 43 HE ARG 43 -16.170 -40.564 3.169 298 1HH1 ARG 43 1HH1 ARG 43 -17.826 -39.897 6.219 299 2HH1 ARG 43 2HH1 ARG 43 -16.347 -39.795 7.137 300 1HH2 ARG 43 1HH2 ARG 43 -14.325 -40.447 4.268 301 2HH2 ARG 43 2HH2 ARG 43 -14.262 -40.138 5.998 302 H GLN 44 H GLN 44 -21.202 -40.112 -1.958 303 HA GLN 44 HA GLN 44 -24.005 -39.804 -1.209 304 1HB GLN 44 HB2 GLN 44 -24.415 -39.828 -3.590 305 2HB GLN 44 HB3 GLN 44 -23.074 -38.764 -3.187 306 1HG GLN 44 HG2 GLN 44 -22.002 -39.744 -4.904 307 2HG GLN 44 HG3 GLN 44 -21.658 -41.048 -3.775 308 1HE2 GLN 44 1HE2 GLN 44 -24.658 -41.576 -6.598 309 2HE2 GLN 44 2HE2 GLN 44 -24.356 -39.971 -5.958 310 H GLY 45 H GLY 45 -23.163 -41.956 0.199 311 1HA GLY 45 HA2 GLY 45 -23.887 -44.067 0.717 312 2HA GLY 45 HA3 GLY 45 -24.906 -44.072 -0.726 313 H PHE 46 H PHE 46 -23.371 -44.086 -2.863 314 HA PHE 46 HA PHE 46 -21.726 -46.558 -2.531 315 1HB PHE 46 HB2 PHE 46 -23.753 -46.639 -3.927 316 2HB PHE 46 HB3 PHE 46 -23.055 -45.462 -5.026 317 HD1 PHE 46 HD1 PHE 46 -22.513 -48.845 -3.487 318 HD2 PHE 46 HD2 PHE 46 -21.566 -46.216 -6.773 319 HE1 PHE 46 HE1 PHE 46 -21.366 -50.707 -4.655 320 HE2 PHE 46 HE2 PHE 46 -20.430 -48.081 -7.935 321 HZ PHE 46 HZ PHE 46 -20.323 -50.330 -6.881 322 H PHE 47 H PHE 47 -21.590 -43.892 -4.973 323 HA PHE 47 HA PHE 47 -18.757 -44.336 -5.339 324 1HB PHE 47 HB2 PHE 47 -20.553 -42.105 -6.353 325 2HB PHE 47 HB3 PHE 47 -18.910 -42.413 -6.874 326 HD1 PHE 47 HD1 PHE 47 -22.304 -43.030 -7.689 327 HD2 PHE 47 HD2 PHE 47 -18.378 -44.822 -7.803 328 HE1 PHE 47 HE1 PHE 47 -23.037 -44.530 -9.513 329 HE2 PHE 47 HE2 PHE 47 -19.107 -46.283 -9.666 330 HZ PHE 47 HZ PHE 47 -21.443 -46.156 -10.510 331 H ALA 48 H ALA 48 -18.364 -44.022 -2.935 332 HA ALA 48 HA ALA 48 -18.279 -41.329 -1.865 333 1HB ALA 48 HB1 ALA 48 -16.919 -43.891 -0.950 334 2HB ALA 48 HB2 ALA 48 -17.071 -42.397 -0.003 335 3HB ALA 48 HB3 ALA 48 -18.522 -43.318 -0.444 336 H VAL 49 H VAL 49 -17.178 -40.725 -4.107 337 HA VAL 49 HA VAL 49 -14.289 -41.152 -4.158 338 HB VAL 49 HB VAL 49 -14.326 -39.634 -6.119 339 1HG1 VAL 49 1HG1 VAL 49 -16.278 -41.962 -6.129 340 2HG1 VAL 49 2HG1 VAL 49 -15.454 -41.276 -7.553 341 3HG1 VAL 49 3HG1 VAL 49 -14.508 -42.054 -6.263 342 1HG2 VAL 49 1HG2 VAL 49 -16.419 -38.949 -7.137 343 2HG2 VAL 49 2HG2 VAL 49 -17.364 -39.629 -5.807 344 3HG2 VAL 49 3HG2 VAL 49 -16.303 -38.233 -5.523 345 H GLN 50 H GLN 50 -12.686 -39.567 -4.080 346 HA GLN 50 HA GLN 50 -13.286 -37.429 -2.138 347 1HB GLN 50 HB2 GLN 50 -10.805 -39.056 -2.738 348 2HB GLN 50 HB3 GLN 50 -10.782 -37.593 -1.719 349 1HG GLN 50 HG2 GLN 50 -12.519 -38.572 -0.263 350 2HG GLN 50 HG3 GLN 50 -12.506 -40.059 -1.241 351 1HE2 GLN 50 1HE2 GLN 50 -10.248 -41.322 1.158 352 2HE2 GLN 50 2HE2 GLN 50 -11.841 -41.443 0.425 353 H GLN 51 H GLN 51 -12.352 -35.383 -2.309 354 HA GLN 51 HA GLN 51 -11.066 -34.633 -4.875 355 1HB GLN 51 HB2 GLN 51 -13.343 -32.982 -3.772 356 2HB GLN 51 HB3 GLN 51 -12.602 -32.884 -5.356 357 1HG GLN 51 HG2 GLN 51 -13.742 -34.885 -6.107 358 2HG GLN 51 HG3 GLN 51 -14.338 -35.250 -4.479 359 1HE2 GLN 51 1HE2 GLN 51 -16.747 -32.569 -4.379 360 2HE2 GLN 51 2HE2 GLN 51 -15.496 -33.277 -3.377 361 H THR 52 H THR 52 -9.808 -32.645 -4.595 362 HA THR 52 HA THR 52 -8.801 -32.130 -1.993 363 HB THR 52 HB THR 52 -8.877 -30.276 -4.422 364 HG1 THR 52 HG1 THR 52 -7.097 -32.406 -3.820 365 1HG2 THR 52 1HG2 THR 52 -6.888 -30.612 -2.133 366 2HG2 THR 52 2HG2 THR 52 -6.673 -29.537 -3.536 367 3HG2 THR 52 3HG2 THR 52 -7.991 -29.238 -2.385 368 H CYS 53 H CYS 53 -9.537 -30.621 -0.377 369 HA CYS 53 HA CYS 53 -12.245 -29.686 -0.674 370 1HB CYS 53 HB2 CYS 53 -11.278 -30.380 1.474 371 2HB CYS 53 HB3 CYS 53 -10.165 -29.012 1.399 372 HA PRO 54 HA PRO 54 -10.707 -25.978 -2.824 373 1HB PRO 54 HB2 PRO 54 -13.068 -24.757 -3.446 374 2HB PRO 54 HB3 PRO 54 -12.478 -26.226 -4.276 375 1HG PRO 54 HG2 PRO 54 -14.479 -26.081 -2.006 376 2HG PRO 54 HG3 PRO 54 -14.620 -26.980 -3.541 377 1HD PRO 54 HD2 PRO 54 -13.780 -28.177 -1.248 378 2HD PRO 54 HD3 PRO 54 -13.097 -28.624 -2.838 379 H HIS 55 H HIS 55 -13.158 -25.840 -0.259 380 HA HIS 55 HA HIS 55 -13.223 -23.227 0.494 381 1HB HIS 55 HB2 HIS 55 -14.540 -25.127 1.419 382 2HB HIS 55 HB3 HIS 55 -13.117 -25.657 2.322 383 HD1 HIS 55 HD1 HIS 55 -14.738 -25.432 4.504 384 HD2 HIS 55 HD2 HIS 55 -13.792 -21.879 2.429 385 HE1 HIS 55 HE1 HIS 55 -15.360 -23.489 6.033 386 H CYS 56 H CYS 56 -10.694 -25.570 1.376 387 HA CYS 56 HA CYS 56 -9.011 -23.365 2.537 388 1HB CYS 56 HB2 CYS 56 -7.953 -25.119 3.863 389 2HB CYS 56 HB3 CYS 56 -9.675 -24.994 4.209 390 H GLN 57 H GLN 57 -9.318 -24.454 -0.345 391 HA GLN 57 HA GLN 57 -8.002 -25.074 -2.091 392 1HB GLN 57 HB2 GLN 57 -5.953 -23.389 -0.579 393 2HB GLN 57 HB3 GLN 57 -5.986 -23.734 -2.310 394 1HG GLN 57 HG2 GLN 57 -6.818 -21.550 -2.095 395 2HG GLN 57 HG3 GLN 57 -8.235 -22.548 -2.428 396 1HE2 GLN 57 1HE2 GLN 57 -9.868 -21.602 0.599 397 2HE2 GLN 57 2HE2 GLN 57 -9.954 -22.440 -0.931 398 H GLY 58 H GLY 58 -8.096 -27.157 -0.268 399 1HA GLY 58 HA2 GLY 58 -7.090 -29.184 0.061 400 2HA GLY 58 HA3 GLY 58 -5.769 -28.679 -0.995 401 H ARG 59 H ARG 59 -5.679 -26.317 1.343 402 HA ARG 59 HA ARG 59 -3.348 -27.510 2.580 403 1HB ARG 59 HB2 ARG 59 -4.847 -24.958 3.289 404 2HB ARG 59 HB3 ARG 59 -3.205 -25.409 3.767 405 1HG ARG 59 HG2 ARG 59 -2.458 -25.308 1.421 406 2HG ARG 59 HG3 ARG 59 -4.092 -24.818 0.908 407 1HD ARG 59 HD2 ARG 59 -4.007 -22.836 2.339 408 2HD ARG 59 HD3 ARG 59 -2.440 -23.361 3.003 409 HE ARG 59 HE ARG 59 -2.335 -23.066 0.134 410 1HH1 ARG 59 1HH1 ARG 59 -0.974 -21.363 -0.651 411 2HH1 ARG 59 2HH1 ARG 59 -0.594 -19.997 0.374 412 1HH2 ARG 59 1HH2 ARG 59 -2.408 -21.241 3.142 413 2HH2 ARG 59 2HH2 ARG 59 -1.236 -20.049 2.664 414 H GLY 60 H GLY 60 -6.643 -27.795 3.330 415 1HA GLY 60 HA2 GLY 60 -7.794 -28.616 5.180 416 2HA GLY 60 HA3 GLY 60 -6.237 -29.095 5.856 417 H THR 61 H THR 61 -6.048 -25.786 5.183 418 HA THR 61 HA THR 61 -6.845 -24.945 7.918 419 HB THR 61 HB THR 61 -4.704 -23.455 7.410 420 HG1 THR 61 HG1 THR 61 -4.037 -25.860 6.063 421 1HG2 THR 61 1HG2 THR 61 -4.949 -24.981 9.359 422 2HG2 THR 61 2HG2 THR 61 -4.526 -26.365 8.329 423 3HG2 THR 61 3HG2 THR 61 -3.323 -25.098 8.658 424 H LEU 62 H LEU 62 -7.972 -23.137 8.010 425 HA LEU 62 HA LEU 62 -8.598 -21.667 5.518 426 1HB LEU 62 HB2 LEU 62 -9.969 -21.788 8.229 427 2HB LEU 62 HB3 LEU 62 -10.487 -20.767 6.883 428 HG LEU 62 HG LEU 62 -10.314 -23.800 6.719 429 1HD1 LEU 62 1HD1 LEU 62 -11.994 -23.111 8.386 430 2HD1 LEU 62 2HD1 LEU 62 -12.715 -21.984 7.214 431 3HD1 LEU 62 3HD1 LEU 62 -12.778 -23.731 6.920 432 1HD2 LEU 62 1HD2 LEU 62 -11.734 -23.492 4.717 433 2HD2 LEU 62 2HD2 LEU 62 -11.669 -21.729 4.921 434 3HD2 LEU 62 3HD2 LEU 62 -10.209 -22.636 4.502 435 H ILE 63 H ILE 63 -7.746 -19.840 5.155 436 HA ILE 63 HA ILE 63 -6.168 -18.335 7.112 437 HB ILE 63 HB ILE 63 -6.854 -17.763 4.193 438 1HG1 ILE 63 2HG1 ILE 63 -5.733 -19.950 4.317 439 2HG1 ILE 63 3HG1 ILE 63 -4.731 -18.719 3.557 440 1HG2 ILE 63 1HG2 ILE 63 -6.034 -15.765 5.203 441 2HG2 ILE 63 2HG2 ILE 63 -4.772 -16.625 6.088 442 3HG2 ILE 63 3HG2 ILE 63 -4.672 -16.453 4.319 443 1HD1 ILE 63 1HD1 ILE 63 -3.449 -18.455 5.666 444 2HD1 ILE 63 2HD1 ILE 63 -4.450 -19.720 6.414 445 3HD1 ILE 63 3HD1 ILE 63 -3.395 -20.109 5.043 446 H LYS 64 H LYS 64 -8.262 -18.250 8.404 447 HA LYS 64 HA LYS 64 -10.500 -16.734 7.595 448 1HB LYS 64 HB2 LYS 64 -9.323 -17.083 10.384 449 2HB LYS 64 HB3 LYS 64 -10.938 -16.467 10.048 450 1HG LYS 64 HG2 LYS 64 -9.885 -19.262 9.416 451 2HG LYS 64 HG3 LYS 64 -11.018 -18.823 10.682 452 1HD LYS 64 HD2 LYS 64 -11.516 -18.733 7.674 453 2HD LYS 64 HD3 LYS 64 -12.208 -19.852 8.839 454 1HE LYS 64 HE2 LYS 64 -12.764 -16.851 8.672 455 2HE LYS 64 HE3 LYS 64 -13.851 -18.166 8.219 456 1HZ LYS 64 HZ1 LYS 64 -12.861 -17.635 10.929 457 2HZ LYS 64 HZ2 LYS 64 -14.376 -17.320 10.365 458 3HZ LYS 64 HZ3 LYS 64 -13.857 -18.878 10.503 459 H ASP 65 H ASP 65 -7.459 -15.578 9.007 460 HA ASP 65 HA ASP 65 -8.304 -12.750 8.523 461 1HB ASP 65 HB2 ASP 65 -6.937 -12.156 10.472 462 2HB ASP 65 HB3 ASP 65 -8.413 -13.054 10.825 463 HA PRO 66 HA PRO 66 -4.882 -13.841 5.669 464 1HB PRO 66 HB2 PRO 66 -5.960 -11.230 4.587 465 2HB PRO 66 HB3 PRO 66 -5.332 -12.632 3.674 466 1HG PRO 66 HG2 PRO 66 -8.001 -12.320 3.963 467 2HG PRO 66 HG3 PRO 66 -7.284 -13.934 4.241 468 1HD PRO 66 HD2 PRO 66 -8.087 -11.867 6.298 469 2HD PRO 66 HD3 PRO 66 -8.376 -13.630 6.276 470 H CYS 67 H CYS 67 -2.834 -13.353 5.818 471 HA CYS 67 HA CYS 67 -1.769 -11.158 7.390 472 1HB CYS 67 HB2 CYS 67 -0.726 -13.372 7.349 473 2HB CYS 67 HB3 CYS 67 -0.552 -13.288 5.602 474 H ASN 68 H ASN 68 -2.427 -9.296 6.361 475 HA ASN 68 HA ASN 68 -2.748 -8.505 3.831 476 1HB ASN 68 HB2 ASN 68 -3.054 -6.987 5.700 477 2HB ASN 68 HB3 ASN 68 -1.311 -6.953 6.014 478 1HD2 ASN 68 1HD2 ASN 68 -2.805 -4.831 2.801 479 2HD2 ASN 68 2HD2 ASN 68 -3.761 -6.139 3.470 480 H LYS 69 H LYS 69 0.510 -8.531 5.338 481 HA LYS 69 HA LYS 69 2.042 -7.471 3.338 482 1HB LYS 69 HB2 LYS 69 2.879 -8.090 5.526 483 2HB LYS 69 HB3 LYS 69 2.743 -9.819 5.151 484 1HG LYS 69 HG2 LYS 69 4.435 -9.662 3.427 485 2HG LYS 69 HG3 LYS 69 4.473 -7.902 3.521 486 1HD LYS 69 HD2 LYS 69 5.300 -9.783 5.790 487 2HD LYS 69 HD3 LYS 69 6.401 -9.077 4.597 488 1HE LYS 69 HE2 LYS 69 5.560 -6.767 5.325 489 2HE LYS 69 HE3 LYS 69 4.785 -7.576 6.700 490 1HZ LYS 69 HZ1 LYS 69 7.648 -7.614 6.048 491 2HZ LYS 69 HZ2 LYS 69 6.933 -6.750 7.253 492 3HZ LYS 69 HZ3 LYS 69 6.958 -8.395 7.323 493 H CYS 70 H CYS 70 0.671 -10.761 3.319 494 HA CYS 70 HA CYS 70 1.755 -11.142 0.533 495 1HB CYS 70 HB2 CYS 70 1.825 -13.531 1.027 496 2HB CYS 70 HB3 CYS 70 2.902 -12.630 2.094 497 H HIS 71 H HIS 71 -0.897 -10.110 1.897 498 HA HIS 71 HA HIS 71 -3.130 -10.404 1.744 499 1HB HIS 71 HB2 HIS 71 -2.305 -9.492 -0.442 500 2HB HIS 71 HB3 HIS 71 -2.412 -11.114 -1.117 501 HD1 HIS 71 HD1 HIS 71 -5.133 -12.130 -0.661 502 HD2 HIS 71 HD2 HIS 71 -4.361 -8.009 -0.949 503 HE1 HIS 71 HE1 HIS 71 -7.364 -11.000 -1.287 504 H GLY 72 H GLY 72 -2.110 -12.634 2.987 505 1HA GLY 72 HA2 GLY 72 -2.844 -14.676 3.655 506 2HA GLY 72 HA3 GLY 72 -4.206 -14.540 2.550 507 H HIS 73 H HIS 73 -1.482 -14.305 0.546 508 HA HIS 73 HA HIS 73 -1.905 -16.961 -0.473 509 1HB HIS 73 HB2 HIS 73 0.356 -14.995 -1.009 510 2HB HIS 73 HB3 HIS 73 0.031 -16.468 -1.926 511 HD1 HIS 73 HD1 HIS 73 -1.430 -12.993 -1.340 512 HD2 HIS 73 HD2 HIS 73 -2.069 -16.461 -3.627 513 HE1 HIS 73 HE1 HIS 73 -3.196 -12.394 -3.115 514 H GLY 74 H GLY 74 0.468 -15.540 1.675 515 1HA GLY 74 HA2 GLY 74 1.508 -16.796 3.444 516 2HA GLY 74 HA3 GLY 74 1.436 -18.261 2.466 517 H ARG 75 H ARG 75 2.468 -16.107 0.225 518 HA ARG 75 HA ARG 75 5.329 -16.198 1.012 519 1HB ARG 75 HB2 ARG 75 5.872 -17.024 -1.264 520 2HB ARG 75 HB3 ARG 75 4.984 -18.210 -0.295 521 1HG ARG 75 HG2 ARG 75 2.890 -17.676 -1.472 522 2HG ARG 75 HG3 ARG 75 3.696 -16.376 -2.370 523 1HD ARG 75 HD2 ARG 75 5.212 -18.084 -3.410 524 2HD ARG 75 HD3 ARG 75 4.390 -19.342 -2.489 525 HE ARG 75 HE ARG 75 2.664 -19.347 -3.962 526 1HH1 ARG 75 1HH1 ARG 75 1.494 -18.746 -5.814 527 2HH1 ARG 75 2HH1 ARG 75 1.845 -17.257 -6.647 528 1HH2 ARG 75 1HH2 ARG 75 4.437 -16.331 -4.420 529 2HH2 ARG 75 2HH2 ARG 75 3.559 -15.860 -5.851 530 H VAL 76 H VAL 76 6.665 -14.833 -0.323 531 HA VAL 76 HA VAL 76 5.259 -12.567 -1.645 532 HB VAL 76 HB VAL 76 6.905 -11.041 -0.605 533 1HG1 VAL 76 1HG1 VAL 76 5.847 -10.872 1.577 534 2HG1 VAL 76 2HG1 VAL 76 4.632 -11.315 0.366 535 3HG1 VAL 76 3HG1 VAL 76 5.272 -12.545 1.478 536 1HG2 VAL 76 1HG2 VAL 76 8.698 -12.659 -0.030 537 2HG2 VAL 76 2HG2 VAL 76 8.193 -11.712 1.374 538 3HG2 VAL 76 3HG2 VAL 76 7.650 -13.389 1.207 539 H GLU 77 H GLU 77 6.672 -11.453 -3.170 540 HA GLU 77 HA GLU 77 8.637 -13.307 -4.422 541 1HB GLU 77 HB2 GLU 77 6.662 -12.602 -5.775 542 2HB GLU 77 HB3 GLU 77 7.173 -10.912 -5.587 543 1HG GLU 77 HG2 GLU 77 9.363 -11.501 -6.694 544 2HG GLU 77 HG3 GLU 77 8.758 -13.142 -6.954 545 H ARG 78 H ARG 78 10.724 -12.782 -4.287 546 HA ARG 78 HA ARG 78 11.663 -10.269 -3.142 547 1HB ARG 78 HB2 ARG 78 12.651 -12.524 -2.731 548 2HB ARG 78 HB3 ARG 78 13.136 -12.606 -4.428 549 1HG ARG 78 HG2 ARG 78 14.630 -10.675 -4.122 550 2HG ARG 78 HG3 ARG 78 14.087 -10.483 -2.446 551 1HD ARG 78 HD2 ARG 78 15.075 -12.539 -1.766 552 2HD ARG 78 HD3 ARG 78 15.285 -13.115 -3.416 553 HE ARG 78 HE ARG 78 17.055 -11.395 -1.911 554 1HH1 ARG 78 1HH1 ARG 78 19.000 -10.637 -2.960 555 2HH1 ARG 78 2HH1 ARG 78 19.113 -10.786 -4.710 556 1HH2 ARG 78 1HH2 ARG 78 16.028 -12.281 -5.234 557 2HH2 ARG 78 2HH2 ARG 78 17.550 -11.731 -5.912 558 H SER 79 H SER 79 10.257 -9.244 -5.057 559 HA SER 79 HA SER 79 11.140 -9.325 -7.723 560 1HB SER 79 HB2 SER 79 9.877 -6.979 -6.239 561 2HB SER 79 HB3 SER 79 9.795 -7.301 -7.980 562 HG SER 79 HG SER 79 8.609 -9.194 -7.501 Start of MODEL 5 1 H GLY 1 H GLY 1 9.804 -33.805 -22.902 2 1HA GLY 1 HA2 GLY 1 8.130 -31.960 -24.189 3 2HA GLY 1 HA3 GLY 1 7.130 -33.229 -23.437 4 H VAL 2 H VAL 2 6.696 -30.902 -22.274 5 HA VAL 2 HA VAL 2 8.585 -30.144 -20.246 6 HB VAL 2 HB VAL 2 6.763 -28.796 -19.325 7 1HG1 VAL 2 1HG1 VAL 2 6.859 -28.619 -22.367 8 2HG1 VAL 2 2HG1 VAL 2 6.426 -27.325 -21.235 9 3HG1 VAL 2 3HG1 VAL 2 8.078 -27.965 -21.252 10 1HG2 VAL 2 1HG2 VAL 2 4.954 -30.087 -21.419 11 2HG2 VAL 2 2HG2 VAL 2 4.833 -30.294 -19.659 12 3HG2 VAL 2 3HG2 VAL 2 4.547 -28.708 -20.384 13 H THR 3 H THR 3 8.407 -30.451 -17.949 14 HA THR 3 HA THR 3 7.787 -33.150 -17.208 15 HB THR 3 HB THR 3 9.515 -31.977 -16.012 16 HG1 THR 3 HG1 THR 3 8.845 -32.449 -13.946 17 1HG2 THR 3 1HG2 THR 3 8.761 -29.630 -16.130 18 2HG2 THR 3 2HG2 THR 3 7.372 -29.999 -15.091 19 3HG2 THR 3 3HG2 THR 3 9.017 -30.099 -14.449 20 H LYS 4 H LYS 4 6.216 -33.876 -15.697 21 HA LYS 4 HA LYS 4 3.537 -32.815 -16.024 22 1HB LYS 4 HB2 LYS 4 4.032 -35.212 -15.623 23 2HB LYS 4 HB3 LYS 4 4.719 -34.814 -14.038 24 1HG LYS 4 HG2 LYS 4 2.511 -33.972 -13.289 25 2HG LYS 4 HG3 LYS 4 1.821 -34.356 -14.881 26 1HD LYS 4 HD2 LYS 4 2.400 -36.753 -14.534 27 2HD LYS 4 HD3 LYS 4 3.093 -36.366 -12.952 28 1HE LYS 4 HE2 LYS 4 0.171 -35.947 -13.757 29 2HE LYS 4 HE3 LYS 4 0.792 -37.290 -12.784 30 1HZ LYS 4 HZ1 LYS 4 -0.111 -35.603 -11.405 31 2HZ LYS 4 HZ2 LYS 4 1.514 -35.692 -11.152 32 3HZ LYS 4 HZ3 LYS 4 0.882 -34.453 -12.037 33 H GLU 5 H GLU 5 6.260 -32.311 -13.815 34 HA GLU 5 HA GLU 5 4.630 -31.039 -11.749 35 1HB GLU 5 HB2 GLU 5 7.642 -31.012 -11.971 36 2HB GLU 5 HB3 GLU 5 6.614 -30.756 -10.550 37 1HG GLU 5 HG2 GLU 5 7.015 -33.392 -12.070 38 2HG GLU 5 HG3 GLU 5 7.630 -32.984 -10.471 39 H ILE 6 H ILE 6 3.818 -29.693 -13.794 40 HA ILE 6 HA ILE 6 5.409 -27.354 -14.406 41 HB ILE 6 HB ILE 6 3.296 -26.380 -15.257 42 1HG1 ILE 6 2HG1 ILE 6 1.970 -28.992 -14.362 43 2HG1 ILE 6 3HG1 ILE 6 1.732 -27.410 -13.603 44 1HG2 ILE 6 1HG2 ILE 6 4.817 -27.900 -16.529 45 2HG2 ILE 6 2HG2 ILE 6 3.704 -29.240 -16.167 46 3HG2 ILE 6 3HG2 ILE 6 3.157 -27.858 -17.145 47 1HD1 ILE 6 1HD1 ILE 6 -0.107 -27.844 -15.094 48 2HD1 ILE 6 2HD1 ILE 6 0.867 -26.523 -15.769 49 3HD1 ILE 6 3HD1 ILE 6 0.982 -28.164 -16.452 50 H ARG 7 H ARG 7 3.775 -28.291 -11.657 51 HA ARG 7 HA ARG 7 3.113 -25.694 -10.534 52 1HB ARG 7 HB2 ARG 7 3.405 -28.460 -9.289 53 2HB ARG 7 HB3 ARG 7 2.611 -27.070 -8.533 54 1HG ARG 7 HG2 ARG 7 0.865 -27.047 -10.209 55 2HG ARG 7 HG3 ARG 7 1.692 -28.243 -11.200 56 1HD ARG 7 HD2 ARG 7 0.501 -28.748 -8.461 57 2HD ARG 7 HD3 ARG 7 -0.179 -29.278 -9.999 58 HE ARG 7 HE ARG 7 1.822 -30.580 -8.450 59 1HH1 ARG 7 1HH1 ARG 7 3.011 -32.337 -9.204 60 2HH1 ARG 7 2HH1 ARG 7 3.095 -32.714 -10.896 61 1HH2 ARG 7 1HH2 ARG 7 0.984 -30.024 -11.850 62 2HH2 ARG 7 2HH2 ARG 7 2.071 -31.250 -12.459 63 H ILE 8 H ILE 8 5.623 -25.410 -11.465 64 HA ILE 8 HA ILE 8 7.738 -26.210 -9.848 65 HB ILE 8 HB ILE 8 8.976 -24.244 -10.770 66 1HG1 ILE 8 2HG1 ILE 8 6.362 -23.655 -12.243 67 2HG1 ILE 8 3HG1 ILE 8 7.008 -22.692 -10.914 68 1HG2 ILE 8 1HG2 ILE 8 7.398 -25.870 -12.818 69 2HG2 ILE 8 2HG2 ILE 8 9.008 -25.152 -13.033 70 3HG2 ILE 8 3HG2 ILE 8 8.784 -26.477 -11.893 71 1HD1 ILE 8 1HD1 ILE 8 9.085 -22.286 -12.274 72 2HD1 ILE 8 2HD1 ILE 8 8.284 -23.091 -13.645 73 3HD1 ILE 8 3HD1 ILE 8 7.598 -21.609 -12.964 74 HA PRO 9 HA PRO 9 6.945 -23.986 -6.112 75 1HB PRO 9 HB2 PRO 9 9.221 -24.391 -4.693 76 2HB PRO 9 HB3 PRO 9 8.175 -25.736 -5.210 77 1HG PRO 9 HG2 PRO 9 10.632 -24.695 -6.657 78 2HG PRO 9 HG3 PRO 9 10.319 -26.377 -6.125 79 1HD PRO 9 HD2 PRO 9 9.737 -25.568 -8.656 80 2HD PRO 9 HD3 PRO 9 8.641 -26.676 -7.772 81 H THR 10 H THR 10 7.274 -22.102 -8.104 82 HA THR 10 HA THR 10 9.424 -20.231 -7.388 83 HB THR 10 HB THR 10 6.996 -19.826 -9.173 84 HG1 THR 10 HG1 THR 10 9.526 -20.984 -9.721 85 1HG2 THR 10 1HG2 THR 10 9.788 -18.570 -9.202 86 2HG2 THR 10 2HG2 THR 10 8.520 -18.320 -10.418 87 3HG2 THR 10 3HG2 THR 10 8.272 -17.746 -8.768 88 H LEU 11 H LEU 11 8.273 -20.739 -5.045 89 HA LEU 11 HA LEU 11 6.565 -18.395 -4.380 90 1HB LEU 11 HB2 LEU 11 6.134 -21.262 -3.464 91 2HB LEU 11 HB3 LEU 11 5.216 -19.857 -2.923 92 HG LEU 11 HG LEU 11 5.214 -20.966 -5.777 93 1HD1 LEU 11 1HD1 LEU 11 3.116 -21.171 -3.592 94 2HD1 LEU 11 2HD1 LEU 11 2.992 -21.795 -5.247 95 3HD1 LEU 11 3HD1 LEU 11 4.177 -22.495 -4.128 96 1HD2 LEU 11 1HD2 LEU 11 3.080 -19.553 -5.916 97 2HD2 LEU 11 2HD2 LEU 11 3.616 -18.732 -4.434 98 3HD2 LEU 11 3HD2 LEU 11 4.583 -18.657 -5.925 99 H GLU 12 H GLU 12 7.165 -17.463 -2.492 100 HA GLU 12 HA GLU 12 9.385 -18.636 -0.893 101 1HB GLU 12 HB2 GLU 12 8.494 -15.734 -0.963 102 2HB GLU 12 HB3 GLU 12 10.007 -16.410 -0.355 103 1HG GLU 12 HG2 GLU 12 10.542 -17.081 -2.750 104 2HG GLU 12 HG3 GLU 12 9.097 -16.186 -3.261 105 H GLU 13 H GLU 13 8.857 -19.192 1.169 106 HA GLU 13 HA GLU 13 6.209 -19.197 2.150 107 1HB GLU 13 HB2 GLU 13 8.085 -20.723 2.853 108 2HB GLU 13 HB3 GLU 13 8.819 -19.362 3.725 109 1HG GLU 13 HG2 GLU 13 6.717 -19.181 5.103 110 2HG GLU 13 HG3 GLU 13 6.087 -20.603 4.239 111 H CYS 14 H CYS 14 5.001 -17.623 3.222 112 HA CYS 14 HA CYS 14 6.242 -15.000 3.615 113 1HB CYS 14 HB2 CYS 14 3.922 -15.294 2.758 114 2HB CYS 14 HB3 CYS 14 3.482 -15.919 4.352 115 H ASP 15 H ASP 15 7.806 -15.444 5.180 116 HA ASP 15 HA ASP 15 7.631 -16.772 7.606 117 1HB ASP 15 HB2 ASP 15 9.508 -15.478 8.331 118 2HB ASP 15 HB3 ASP 15 9.699 -15.762 6.597 119 H VAL 16 H VAL 16 6.479 -13.542 6.807 120 HA VAL 16 HA VAL 16 5.928 -12.435 9.289 121 HB VAL 16 HB VAL 16 4.217 -12.226 6.778 122 1HG1 VAL 16 1HG1 VAL 16 3.636 -9.990 7.658 123 2HG1 VAL 16 2HG1 VAL 16 3.058 -11.298 8.689 124 3HG1 VAL 16 3HG1 VAL 16 4.504 -10.371 9.162 125 1HG2 VAL 16 1HG2 VAL 16 6.682 -10.668 7.675 126 2HG2 VAL 16 2HG2 VAL 16 6.507 -11.625 6.187 127 3HG2 VAL 16 3HG2 VAL 16 5.587 -10.136 6.388 128 H CYS 17 H CYS 17 3.859 -14.724 7.422 129 HA CYS 17 HA CYS 17 2.158 -15.123 9.877 130 1HB CYS 17 HB2 CYS 17 0.568 -16.179 8.333 131 2HB CYS 17 HB3 CYS 17 0.810 -14.454 8.076 132 H HIS 18 H HIS 18 4.902 -16.176 9.201 133 HA HIS 18 HA HIS 18 6.094 -18.057 9.438 134 1HB HIS 18 HB2 HIS 18 3.766 -19.127 11.034 135 2HB HIS 18 HB3 HIS 18 5.496 -19.309 11.349 136 HD1 HIS 18 HD1 HIS 18 6.048 -16.018 11.117 137 HD2 HIS 18 HD2 HIS 18 2.916 -17.936 13.171 138 HE1 HIS 18 HE1 HIS 18 5.147 -14.344 12.808 139 H GLY 19 H GLY 19 4.606 -17.935 7.038 140 1HA GLY 19 HA2 GLY 19 4.273 -19.289 5.233 141 2HA GLY 19 HA3 GLY 19 4.786 -20.680 6.200 142 H SER 20 H SER 20 2.162 -19.273 7.872 143 HA SER 20 HA SER 20 0.450 -21.469 6.883 144 1HB SER 20 HB2 SER 20 -1.058 -20.860 8.625 145 2HB SER 20 HB3 SER 20 0.548 -21.109 9.293 146 HG SER 20 HG SER 20 0.774 -18.838 9.455 147 H GLY 21 H GLY 21 -0.189 -18.110 7.610 148 1HA GLY 21 HA2 GLY 21 -0.966 -16.794 5.371 149 2HA GLY 21 HA3 GLY 21 -2.324 -17.903 5.592 150 H ALA 22 H ALA 22 -1.849 -17.856 8.629 151 HA ALA 22 HA ALA 22 -3.709 -15.700 9.187 152 1HB ALA 22 HB1 ALA 22 -3.864 -17.881 10.298 153 2HB ALA 22 HB2 ALA 22 -2.237 -17.669 10.976 154 3HB ALA 22 HB3 ALA 22 -3.565 -16.602 11.486 155 H LYS 23 H LYS 23 -3.318 -13.707 9.949 156 HA LYS 23 HA LYS 23 -0.859 -12.516 9.758 157 1HB LYS 23 HB2 LYS 23 -1.796 -10.679 11.232 158 2HB LYS 23 HB3 LYS 23 -2.777 -11.182 9.838 159 1HG LYS 23 HG2 LYS 23 -4.285 -12.420 11.229 160 2HG LYS 23 HG3 LYS 23 -3.238 -12.270 12.631 161 1HD LYS 23 HD2 LYS 23 -5.119 -10.833 12.884 162 2HD LYS 23 HD3 LYS 23 -3.667 -9.843 12.750 163 1HE LYS 23 HE2 LYS 23 -5.432 -10.428 10.319 164 2HE LYS 23 HE3 LYS 23 -5.829 -9.135 11.461 165 1HZ LYS 23 HZ1 LYS 23 -4.582 -8.310 9.641 166 2HZ LYS 23 HZ2 LYS 23 -3.729 -8.137 11.040 167 3HZ LYS 23 HZ3 LYS 23 -3.319 -9.312 9.964 168 HA PRO 24 HA PRO 24 2.276 -13.577 12.509 169 1HB PRO 24 HB2 PRO 24 1.766 -10.845 13.716 170 2HB PRO 24 HB3 PRO 24 3.342 -11.671 13.514 171 1HG PRO 24 HG2 PRO 24 2.357 -9.912 11.639 172 2HG PRO 24 HG3 PRO 24 3.301 -11.346 11.178 173 1HD PRO 24 HD2 PRO 24 0.454 -10.822 10.743 174 2HD PRO 24 HD3 PRO 24 1.451 -12.138 10.062 175 H GLY 25 H GLY 25 2.361 -14.968 14.187 176 1HA GLY 25 HA2 GLY 25 2.079 -15.835 16.278 177 2HA GLY 25 HA3 GLY 25 1.259 -14.358 16.797 178 H THR 26 H THR 26 -0.918 -14.252 15.124 179 HA THR 26 HA THR 26 -2.800 -15.870 16.361 180 HB THR 26 HB THR 26 -3.295 -14.834 13.570 181 HG1 THR 26 HG1 THR 26 -2.024 -13.238 14.238 182 1HG2 THR 26 1HG2 THR 26 -5.189 -15.645 14.941 183 2HG2 THR 26 2HG2 THR 26 -4.772 -14.471 16.216 184 3HG2 THR 26 3HG2 THR 26 -5.315 -13.901 14.625 185 H GLN 27 H GLN 27 -3.493 -17.975 15.994 186 HA GLN 27 HA GLN 27 -2.137 -19.492 13.926 187 1HB GLN 27 HB2 GLN 27 -3.303 -21.427 14.885 188 2HB GLN 27 HB3 GLN 27 -2.353 -20.531 16.069 189 1HG GLN 27 HG2 GLN 27 -4.228 -19.743 17.211 190 2HG GLN 27 HG3 GLN 27 -5.308 -19.877 15.822 191 1HE2 GLN 27 1HE2 GLN 27 -5.991 -23.357 16.231 192 2HE2 GLN 27 2HE2 GLN 27 -5.838 -22.105 15.003 193 HA PRO 28 HA PRO 28 -5.578 -19.515 10.978 194 1HB PRO 28 HB2 PRO 28 -4.930 -22.376 10.475 195 2HB PRO 28 HB3 PRO 28 -5.006 -21.013 9.310 196 1HG PRO 28 HG2 PRO 28 -2.614 -22.070 10.044 197 2HG PRO 28 HG3 PRO 28 -2.825 -20.286 9.937 198 1HD PRO 28 HD2 PRO 28 -3.065 -22.019 12.413 199 2HD PRO 28 HD3 PRO 28 -2.014 -20.590 12.132 200 H GLN 29 H GLN 29 -7.496 -21.206 10.467 201 HA GLN 29 HA GLN 29 -8.398 -22.479 13.036 202 1HB GLN 29 HB2 GLN 29 -10.108 -21.012 10.991 203 2HB GLN 29 HB3 GLN 29 -10.606 -21.726 12.531 204 1HG GLN 29 HG2 GLN 29 -10.400 -19.496 13.121 205 2HG GLN 29 HG3 GLN 29 -8.825 -20.113 13.613 206 1HE2 GLN 29 1HE2 GLN 29 -7.281 -17.563 11.615 207 2HE2 GLN 29 2HE2 GLN 29 -7.134 -18.588 13.019 208 H THR 30 H THR 30 -8.977 -24.648 12.829 209 HA THR 30 HA THR 30 -8.241 -26.172 10.693 210 HB THR 30 HB THR 30 -10.627 -26.774 12.495 211 HG1 THR 30 HG1 THR 30 -7.870 -26.888 13.180 212 1HG2 THR 30 1HG2 THR 30 -9.656 -29.040 12.535 213 2HG2 THR 30 2HG2 THR 30 -9.997 -28.540 10.868 214 3HG2 THR 30 3HG2 THR 30 -8.326 -28.506 11.486 215 H CYS 31 H CYS 31 -9.061 -26.526 8.586 216 HA CYS 31 HA CYS 31 -11.554 -25.275 7.827 217 1HB CYS 31 HB2 CYS 31 -9.624 -25.608 6.257 218 2HB CYS 31 HB3 CYS 31 -9.910 -27.347 6.340 219 HA PRO 32 HA PRO 32 -13.737 -28.924 9.411 220 1HB PRO 32 HB2 PRO 32 -16.328 -28.179 9.035 221 2HB PRO 32 HB3 PRO 32 -15.274 -27.474 10.301 222 1HG PRO 32 HG2 PRO 32 -15.886 -26.303 7.572 223 2HG PRO 32 HG3 PRO 32 -15.972 -25.492 9.159 224 1HD PRO 32 HD2 PRO 32 -13.788 -25.290 7.542 225 2HD PRO 32 HD3 PRO 32 -13.629 -25.346 9.323 226 H THR 33 H THR 33 -14.498 -27.413 6.237 227 HA THR 33 HA THR 33 -15.896 -29.298 4.928 228 HB THR 33 HB THR 33 -13.572 -27.864 3.620 229 HG1 THR 33 HG1 THR 33 -15.951 -26.616 4.517 230 1HG2 THR 33 1HG2 THR 33 -16.507 -28.176 2.833 231 2HG2 THR 33 2HG2 THR 33 -15.241 -27.364 1.887 232 3HG2 THR 33 3HG2 THR 33 -15.152 -29.112 2.170 233 H CYS 34 H CYS 34 -12.380 -29.397 5.519 234 HA CYS 34 HA CYS 34 -12.319 -32.212 4.490 235 1HB CYS 34 HB2 CYS 34 -9.974 -31.785 3.823 236 2HB CYS 34 HB3 CYS 34 -11.170 -30.981 2.830 237 H HIS 35 H HIS 35 -12.871 -31.160 7.167 238 HA HIS 35 HA HIS 35 -12.188 -31.361 9.339 239 1HB HIS 35 HB2 HIS 35 -11.314 -34.059 8.250 240 2HB HIS 35 HB3 HIS 35 -11.741 -33.692 9.923 241 HD1 HIS 35 HD1 HIS 35 -14.412 -31.962 8.251 242 HD2 HIS 35 HD2 HIS 35 -13.314 -36.000 8.763 243 HE1 HIS 35 HE1 HIS 35 -16.516 -33.341 7.906 244 H GLY 36 H GLY 36 -10.259 -29.816 8.242 245 1HA GLY 36 HA2 GLY 36 -8.236 -28.978 8.913 246 2HA GLY 36 HA3 GLY 36 -8.050 -30.339 10.010 247 H SER 37 H SER 37 -8.427 -31.851 7.044 248 HA SER 37 HA SER 37 -5.517 -32.298 6.955 249 1HB SER 37 HB2 SER 37 -6.046 -34.050 5.336 250 2HB SER 37 HB3 SER 37 -6.923 -34.228 6.866 251 HG SER 37 HG SER 37 -8.769 -33.382 5.859 252 H GLY 38 H GLY 38 -7.854 -31.693 4.319 253 1HA GLY 38 HA2 GLY 38 -7.023 -29.391 3.158 254 2HA GLY 38 HA3 GLY 38 -5.674 -30.437 2.729 255 H GLN 39 H GLN 39 -8.263 -32.566 2.548 256 HA GLN 39 HA GLN 39 -8.939 -31.704 -0.210 257 1HB GLN 39 HB2 GLN 39 -8.374 -33.744 -1.197 258 2HB GLN 39 HB3 GLN 39 -6.970 -33.203 -0.285 259 1HG GLN 39 HG2 GLN 39 -8.891 -35.464 0.419 260 2HG GLN 39 HG3 GLN 39 -7.206 -35.573 -0.090 261 1HE2 GLN 39 1HE2 GLN 39 -8.112 -34.714 3.827 262 2HE2 GLN 39 2HE2 GLN 39 -9.357 -34.677 2.587 263 H VAL 40 H VAL 40 -10.828 -32.311 -1.039 264 HA VAL 40 HA VAL 40 -12.903 -33.261 0.880 265 HB VAL 40 HB VAL 40 -14.434 -32.353 -0.933 266 1HG1 VAL 40 1HG1 VAL 40 -14.186 -30.023 -0.204 267 2HG1 VAL 40 2HG1 VAL 40 -14.015 -31.152 1.155 268 3HG1 VAL 40 3HG1 VAL 40 -12.573 -30.383 0.453 269 1HG2 VAL 40 1HG2 VAL 40 -13.613 -30.834 -2.584 270 2HG2 VAL 40 2HG2 VAL 40 -11.964 -30.851 -1.918 271 3HG2 VAL 40 3HG2 VAL 40 -12.612 -32.274 -2.734 272 H GLN 41 H GLN 41 -13.821 -35.237 0.551 273 HA GLN 41 HA GLN 41 -13.033 -36.752 -1.881 274 1HB GLN 41 HB2 GLN 41 -12.283 -37.583 0.213 275 2HB GLN 41 HB3 GLN 41 -13.955 -37.729 0.799 276 1HG GLN 41 HG2 GLN 41 -14.455 -39.380 -0.986 277 2HG GLN 41 HG3 GLN 41 -12.844 -39.183 -1.677 278 1HE2 GLN 41 1HE2 GLN 41 -11.164 -41.031 0.904 279 2HE2 GLN 41 2HE2 GLN 41 -10.942 -39.685 -0.201 280 H MET 42 H MET 42 -14.455 -36.514 -3.424 281 HA MET 42 HA MET 42 -17.306 -36.088 -2.932 282 1HB MET 42 HB2 MET 42 -15.941 -34.984 -4.751 283 2HB MET 42 HB3 MET 42 -15.792 -36.547 -5.545 284 1HG MET 42 HG2 MET 42 -17.535 -35.118 -6.508 285 2HG MET 42 HG3 MET 42 -18.231 -36.608 -5.853 286 1HE MET 42 HE1 MET 42 -17.760 -32.751 -5.373 287 2HE MET 42 HE2 MET 42 -18.751 -32.436 -3.930 288 3HE MET 42 HE3 MET 42 -17.228 -33.332 -3.773 289 H ARG 43 H ARG 43 -17.326 -38.037 -1.650 290 HA ARG 43 HA ARG 43 -16.882 -40.660 -2.523 291 1HB ARG 43 HB2 ARG 43 -17.158 -39.708 -0.149 292 2HB ARG 43 HB3 ARG 43 -18.895 -39.788 -0.424 293 1HG ARG 43 HG2 ARG 43 -18.540 -41.818 0.620 294 2HG ARG 43 HG3 ARG 43 -18.354 -42.338 -1.060 295 1HD ARG 43 HD2 ARG 43 -15.840 -41.947 -0.771 296 2HD ARG 43 HD3 ARG 43 -16.171 -41.639 0.945 297 HE ARG 43 HE ARG 43 -17.283 -44.146 0.002 298 1HH1 ARG 43 1HH1 ARG 43 -14.253 -42.626 1.072 299 2HH1 ARG 43 2HH1 ARG 43 -13.581 -44.112 1.685 300 1HH2 ARG 43 1HH2 ARG 43 -16.384 -46.082 0.771 301 2HH2 ARG 43 2HH2 ARG 43 -14.793 -46.114 1.484 302 H GLN 44 H GLN 44 -17.951 -40.238 -4.748 303 HA GLN 44 HA GLN 44 -20.859 -40.623 -4.841 304 1HB GLN 44 HB2 GLN 44 -20.606 -40.555 -7.242 305 2HB GLN 44 HB3 GLN 44 -19.801 -39.207 -6.440 306 1HG GLN 44 HG2 GLN 44 -17.685 -40.920 -6.661 307 2HG GLN 44 HG3 GLN 44 -18.653 -41.444 -8.045 308 1HE2 GLN 44 1HE2 GLN 44 -16.891 -37.712 -7.988 309 2HE2 GLN 44 2HE2 GLN 44 -17.087 -38.610 -6.485 310 H GLY 45 H GLY 45 -20.581 -42.441 -3.342 311 1HA GLY 45 HA2 GLY 45 -20.926 -44.694 -2.966 312 2HA GLY 45 HA3 GLY 45 -20.932 -44.967 -4.719 313 H PHE 46 H PHE 46 -19.486 -46.632 -4.942 314 HA PHE 46 HA PHE 46 -17.239 -47.211 -3.403 315 1HB PHE 46 HB2 PHE 46 -17.457 -47.772 -6.378 316 2HB PHE 46 HB3 PHE 46 -16.629 -48.725 -5.157 317 HD1 PHE 46 HD1 PHE 46 -18.199 -49.644 -3.183 318 HD2 PHE 46 HD2 PHE 46 -19.606 -48.451 -7.088 319 HE1 PHE 46 HE1 PHE 46 -20.282 -50.942 -2.836 320 HE2 PHE 46 HE2 PHE 46 -21.686 -49.745 -6.727 321 HZ PHE 46 HZ PHE 46 -22.031 -50.991 -4.603 322 H PHE 47 H PHE 47 -17.542 -45.033 -6.178 323 HA PHE 47 HA PHE 47 -14.709 -44.734 -6.632 324 1HB PHE 47 HB2 PHE 47 -17.007 -42.986 -7.530 325 2HB PHE 47 HB3 PHE 47 -15.404 -43.071 -8.250 326 HD1 PHE 47 HD1 PHE 47 -18.769 -44.317 -8.381 327 HD2 PHE 47 HD2 PHE 47 -14.678 -45.484 -9.124 328 HE1 PHE 47 HE1 PHE 47 -19.556 -46.250 -9.707 329 HE2 PHE 47 HE2 PHE 47 -15.479 -47.416 -10.452 330 HZ PHE 47 HZ PHE 47 -17.917 -47.811 -10.738 331 H ALA 48 H ALA 48 -14.296 -44.380 -4.282 332 HA ALA 48 HA ALA 48 -14.983 -41.878 -3.019 333 1HB ALA 48 HB1 ALA 48 -12.795 -43.909 -2.402 334 2HB ALA 48 HB2 ALA 48 -13.381 -42.645 -1.305 335 3HB ALA 48 HB3 ALA 48 -14.465 -43.961 -1.802 336 H VAL 49 H VAL 49 -14.233 -40.806 -5.298 337 HA VAL 49 HA VAL 49 -11.380 -40.221 -5.379 338 HB VAL 49 HB VAL 49 -12.027 -38.830 -7.299 339 1HG1 VAL 49 1HG1 VAL 49 -13.078 -41.676 -7.290 340 2HG1 VAL 49 2HG1 VAL 49 -12.535 -40.765 -8.725 341 3HG1 VAL 49 3HG1 VAL 49 -11.379 -41.179 -7.433 342 1HG2 VAL 49 1HG2 VAL 49 -14.349 -38.207 -6.636 343 2HG2 VAL 49 2HG2 VAL 49 -14.238 -38.881 -8.268 344 3HG2 VAL 49 3HG2 VAL 49 -14.865 -39.877 -6.952 345 H GLN 50 H GLN 50 -10.554 -38.010 -5.364 346 HA GLN 50 HA GLN 50 -12.146 -36.161 -3.770 347 1HB GLN 50 HB2 GLN 50 -10.584 -36.202 -1.878 348 2HB GLN 50 HB3 GLN 50 -11.012 -37.871 -2.288 349 1HG GLN 50 HG2 GLN 50 -8.826 -37.750 -3.780 350 2HG GLN 50 HG3 GLN 50 -8.465 -36.354 -2.743 351 1HE2 GLN 50 1HE2 GLN 50 -8.709 -40.157 -1.043 352 2HE2 GLN 50 2HE2 GLN 50 -9.701 -39.793 -2.445 353 H GLN 51 H GLN 51 -10.960 -34.130 -3.325 354 HA GLN 51 HA GLN 51 -9.116 -33.337 -5.503 355 1HB GLN 51 HB2 GLN 51 -11.659 -31.751 -4.914 356 2HB GLN 51 HB3 GLN 51 -10.505 -31.562 -6.221 357 1HG GLN 51 HG2 GLN 51 -12.071 -32.570 -7.443 358 2HG GLN 51 HG3 GLN 51 -11.402 -34.068 -6.839 359 1HE2 GLN 51 1HE2 GLN 51 -14.365 -33.967 -4.346 360 2HE2 GLN 51 2HE2 GLN 51 -12.660 -33.828 -4.049 361 H THR 52 H THR 52 -8.006 -31.324 -4.943 362 HA THR 52 HA THR 52 -7.455 -30.936 -2.220 363 HB THR 52 HB THR 52 -7.178 -28.926 -4.507 364 HG1 THR 52 HG1 THR 52 -5.201 -30.068 -4.894 365 1HG2 THR 52 1HG2 THR 52 -5.501 -29.527 -2.035 366 2HG2 THR 52 2HG2 THR 52 -5.101 -28.316 -3.279 367 3HG2 THR 52 3HG2 THR 52 -6.551 -28.109 -2.276 368 H CYS 53 H CYS 53 -8.389 -29.513 -0.651 369 HA CYS 53 HA CYS 53 -11.015 -28.469 -1.212 370 1HB CYS 53 HB2 CYS 53 -10.341 -29.292 0.999 371 2HB CYS 53 HB3 CYS 53 -9.159 -27.984 1.123 372 HA PRO 54 HA PRO 54 -9.071 -24.769 -3.005 373 1HB PRO 54 HB2 PRO 54 -11.292 -23.374 -3.785 374 2HB PRO 54 HB3 PRO 54 -10.693 -24.826 -4.633 375 1HG PRO 54 HG2 PRO 54 -12.907 -24.687 -2.570 376 2HG PRO 54 HG3 PRO 54 -12.934 -25.501 -4.157 377 1HD PRO 54 HD2 PRO 54 -12.401 -26.855 -1.866 378 2HD PRO 54 HD3 PRO 54 -11.561 -27.256 -3.391 379 H HIS 55 H HIS 55 -11.767 -24.513 -0.669 380 HA HIS 55 HA HIS 55 -11.585 -21.861 -0.020 381 1HB HIS 55 HB2 HIS 55 -13.286 -23.599 0.722 382 2HB HIS 55 HB3 HIS 55 -12.183 -24.000 2.047 383 HD1 HIS 55 HD1 HIS 55 -11.538 -20.594 2.162 384 HD2 HIS 55 HD2 HIS 55 -15.065 -22.835 2.691 385 HE1 HIS 55 HE1 HIS 55 -13.163 -19.117 3.484 386 H CYS 56 H CYS 56 -9.477 -24.433 1.198 387 HA CYS 56 HA CYS 56 -7.834 -22.396 2.679 388 1HB CYS 56 HB2 CYS 56 -6.978 -24.313 3.965 389 2HB CYS 56 HB3 CYS 56 -8.684 -23.979 4.250 390 H GLN 57 H GLN 57 -7.895 -23.418 -0.282 391 HA GLN 57 HA GLN 57 -6.454 -24.062 -1.895 392 1HB GLN 57 HB2 GLN 57 -4.421 -22.517 -0.232 393 2HB GLN 57 HB3 GLN 57 -4.379 -22.838 -1.960 394 1HG GLN 57 HG2 GLN 57 -5.064 -20.595 -1.733 395 2HG GLN 57 HG3 GLN 57 -6.505 -21.493 -2.217 396 1HE2 GLN 57 1HE2 GLN 57 -8.341 -20.521 0.673 397 2HE2 GLN 57 2HE2 GLN 57 -8.333 -21.310 -0.889 398 H GLY 58 H GLY 58 -6.850 -26.138 -0.168 399 1HA GLY 58 HA2 GLY 58 -6.030 -28.232 0.184 400 2HA GLY 58 HA3 GLY 58 -4.549 -27.784 -0.668 401 H ARG 59 H ARG 59 -4.842 -25.585 1.902 402 HA ARG 59 HA ARG 59 -2.723 -27.035 3.331 403 1HB ARG 59 HB2 ARG 59 -3.856 -24.275 3.891 404 2HB ARG 59 HB3 ARG 59 -2.317 -24.963 4.436 405 1HG ARG 59 HG2 ARG 59 -1.720 -25.247 1.947 406 2HG ARG 59 HG3 ARG 59 -3.102 -24.228 1.580 407 1HD ARG 59 HD2 ARG 59 -0.560 -23.549 3.054 408 2HD ARG 59 HD3 ARG 59 -1.226 -22.778 1.613 409 HE ARG 59 HE ARG 59 -1.513 -21.900 4.220 410 1HH1 ARG 59 1HH1 ARG 59 -2.258 -19.908 4.253 411 2HH1 ARG 59 2HH1 ARG 59 -3.643 -19.358 3.341 412 1HH2 ARG 59 1HH2 ARG 59 -4.194 -22.648 2.006 413 2HH2 ARG 59 2HH2 ARG 59 -4.682 -20.980 1.877 414 H GLY 60 H GLY 60 -5.942 -27.426 3.582 415 1HA GLY 60 HA2 GLY 60 -7.329 -28.280 5.221 416 2HA GLY 60 HA3 GLY 60 -5.874 -28.597 6.155 417 H THR 61 H THR 61 -5.686 -25.320 5.743 418 HA THR 61 HA THR 61 -7.091 -24.727 8.298 419 HB THR 61 HB THR 61 -5.115 -23.049 8.330 420 HG1 THR 61 HG1 THR 61 -3.946 -25.144 6.795 421 1HG2 THR 61 1HG2 THR 61 -5.430 -24.878 9.976 422 2HG2 THR 61 2HG2 THR 61 -4.701 -26.035 8.841 423 3HG2 THR 61 3HG2 THR 61 -3.719 -24.727 9.531 424 H LEU 62 H LEU 62 -8.510 -23.205 8.234 425 HA LEU 62 HA LEU 62 -8.836 -21.384 5.924 426 1HB LEU 62 HB2 LEU 62 -10.424 -21.847 8.499 427 2HB LEU 62 HB3 LEU 62 -10.789 -20.557 7.353 428 HG LEU 62 HG LEU 62 -10.858 -23.521 6.690 429 1HD1 LEU 62 1HD1 LEU 62 -13.333 -23.121 6.634 430 2HD1 LEU 62 2HD1 LEU 62 -12.656 -22.818 8.247 431 3HD1 LEU 62 3HD1 LEU 62 -13.060 -21.455 7.182 432 1HD2 LEU 62 1HD2 LEU 62 -11.561 -21.037 5.089 433 2HD2 LEU 62 2HD2 LEU 62 -10.362 -22.283 4.664 434 3HD2 LEU 62 3HD2 LEU 62 -12.078 -22.688 4.653 435 H ILE 63 H ILE 63 -8.796 -19.142 6.216 436 HA ILE 63 HA ILE 63 -7.371 -18.150 8.632 437 HB ILE 63 HB ILE 63 -6.639 -17.305 5.800 438 1HG1 ILE 63 2HG1 ILE 63 -4.419 -18.563 6.541 439 2HG1 ILE 63 3HG1 ILE 63 -5.517 -19.580 7.462 440 1HG2 ILE 63 1HG2 ILE 63 -6.273 -15.796 7.768 441 2HG2 ILE 63 2HG2 ILE 63 -5.303 -17.075 8.518 442 3HG2 ILE 63 3HG2 ILE 63 -4.779 -16.324 6.988 443 1HD1 ILE 63 1HD1 ILE 63 -6.748 -20.033 5.260 444 2HD1 ILE 63 2HD1 ILE 63 -5.543 -19.017 4.457 445 3HD1 ILE 63 3HD1 ILE 63 -5.054 -20.531 5.260 446 H LYS 64 H LYS 64 -9.429 -17.437 9.348 447 HA LYS 64 HA LYS 64 -11.066 -15.652 7.802 448 1HB LYS 64 HB2 LYS 64 -10.807 -16.079 10.807 449 2HB LYS 64 HB3 LYS 64 -12.058 -15.102 10.020 450 1HG LYS 64 HG2 LYS 64 -12.925 -17.053 8.823 451 2HG LYS 64 HG3 LYS 64 -11.604 -18.060 9.412 452 1HD LYS 64 HD2 LYS 64 -13.630 -18.517 10.685 453 2HD LYS 64 HD3 LYS 64 -12.345 -17.875 11.712 454 1HE LYS 64 HE2 LYS 64 -14.568 -16.929 12.270 455 2HE LYS 64 HE3 LYS 64 -13.427 -15.673 11.786 456 1HZ LYS 64 HZ1 LYS 64 -14.433 -15.679 9.619 457 2HZ LYS 64 HZ2 LYS 64 -15.481 -16.874 10.058 458 3HZ LYS 64 HZ3 LYS 64 -15.571 -15.393 10.775 459 H ASP 65 H ASP 65 -8.127 -15.322 9.615 460 HA ASP 65 HA ASP 65 -8.090 -12.345 9.601 461 1HB ASP 65 HB2 ASP 65 -6.507 -12.628 11.421 462 2HB ASP 65 HB3 ASP 65 -8.002 -13.478 11.782 463 HA PRO 66 HA PRO 66 -5.201 -14.203 6.398 464 1HB PRO 66 HB2 PRO 66 -5.758 -12.647 4.223 465 2HB PRO 66 HB3 PRO 66 -6.757 -14.040 4.732 466 1HG PRO 66 HG2 PRO 66 -7.205 -11.119 5.438 467 2HG PRO 66 HG3 PRO 66 -8.378 -12.257 4.702 468 1HD PRO 66 HD2 PRO 66 -8.389 -11.865 7.357 469 2HD PRO 66 HD3 PRO 66 -8.528 -13.522 6.691 470 H CYS 67 H CYS 67 -3.136 -13.728 6.191 471 HA CYS 67 HA CYS 67 -1.975 -11.188 6.938 472 1HB CYS 67 HB2 CYS 67 -0.845 -13.310 7.260 473 2HB CYS 67 HB3 CYS 67 -0.909 -13.659 5.532 474 H ASN 68 H ASN 68 -2.947 -9.669 5.616 475 HA ASN 68 HA ASN 68 -3.620 -9.552 3.017 476 1HB ASN 68 HB2 ASN 68 -3.917 -7.660 4.518 477 2HB ASN 68 HB3 ASN 68 -2.168 -7.389 4.585 478 1HD2 ASN 68 1HD2 ASN 68 -4.242 -6.266 1.196 479 2HD2 ASN 68 2HD2 ASN 68 -4.964 -7.437 2.284 480 H LYS 69 H LYS 69 -0.270 -9.079 4.146 481 HA LYS 69 HA LYS 69 1.117 -8.347 1.918 482 1HB LYS 69 HB2 LYS 69 2.073 -8.720 4.152 483 2HB LYS 69 HB3 LYS 69 1.933 -10.474 3.926 484 1HG LYS 69 HG2 LYS 69 3.511 -10.383 2.031 485 2HG LYS 69 HG3 LYS 69 3.593 -8.616 2.173 486 1HD LYS 69 HD2 LYS 69 4.613 -8.807 4.397 487 2HD LYS 69 HD3 LYS 69 4.336 -10.556 4.410 488 1HE LYS 69 HE2 LYS 69 6.687 -10.070 3.899 489 2HE LYS 69 HE3 LYS 69 5.899 -10.865 2.527 490 1HZ LYS 69 HZ1 LYS 69 5.674 -8.726 1.494 491 2HZ LYS 69 HZ2 LYS 69 6.376 -7.975 2.784 492 3HZ LYS 69 HZ3 LYS 69 7.252 -9.019 1.858 493 H CYS 70 H CYS 70 -0.124 -11.631 2.591 494 HA CYS 70 HA CYS 70 0.602 -12.472 -0.206 495 1HB CYS 70 HB2 CYS 70 0.967 -14.714 0.717 496 2HB CYS 70 HB3 CYS 70 2.090 -13.550 1.421 497 H HIS 71 H HIS 71 -1.869 -11.282 1.131 498 HA HIS 71 HA HIS 71 -4.117 -11.620 1.318 499 1HB HIS 71 HB2 HIS 71 -3.602 -13.249 -1.199 500 2HB HIS 71 HB3 HIS 71 -5.166 -12.610 -0.685 501 HD1 HIS 71 HD1 HIS 71 -2.748 -9.887 -0.062 502 HD2 HIS 71 HD2 HIS 71 -4.763 -11.579 -3.356 503 HE1 HIS 71 HE1 HIS 71 -2.725 -8.144 -1.906 504 H GLY 72 H GLY 72 -2.704 -13.319 3.033 505 1HA GLY 72 HA2 GLY 72 -3.038 -15.112 4.381 506 2HA GLY 72 HA3 GLY 72 -4.694 -15.192 3.774 507 H HIS 73 H HIS 73 -2.221 -15.647 1.301 508 HA HIS 73 HA HIS 73 -2.973 -18.463 0.998 509 1HB HIS 73 HB2 HIS 73 -0.938 -16.711 -0.441 510 2HB HIS 73 HB3 HIS 73 -1.346 -18.371 -0.868 511 HD1 HIS 73 HD1 HIS 73 -4.199 -15.904 -0.010 512 HD2 HIS 73 HD2 HIS 73 -2.221 -17.687 -3.275 513 HE1 HIS 73 HE1 HIS 73 -5.630 -15.461 -2.058 514 H GLY 74 H GLY 74 -0.491 -16.641 2.535 515 1HA GLY 74 HA2 GLY 74 1.017 -17.304 4.123 516 2HA GLY 74 HA3 GLY 74 0.759 -18.988 3.754 517 H ARG 75 H ARG 75 1.417 -17.268 0.852 518 HA ARG 75 HA ARG 75 4.303 -17.206 1.136 519 1HB ARG 75 HB2 ARG 75 4.704 -18.832 -0.686 520 2HB ARG 75 HB3 ARG 75 3.986 -19.570 0.738 521 1HG ARG 75 HG2 ARG 75 1.758 -18.848 -0.896 522 2HG ARG 75 HG3 ARG 75 2.988 -19.413 -2.015 523 1HD ARG 75 HD2 ARG 75 1.656 -21.295 -1.378 524 2HD ARG 75 HD3 ARG 75 3.204 -21.515 -0.574 525 HE ARG 75 HE ARG 75 0.606 -20.561 0.626 526 1HH1 ARG 75 1HH1 ARG 75 0.179 -20.890 2.699 527 2HH1 ARG 75 2HH1 ARG 75 1.410 -21.434 3.838 528 1HH2 ARG 75 1HH2 ARG 75 3.867 -21.848 1.319 529 2HH2 ARG 75 2HH2 ARG 75 3.482 -22.072 3.010 530 H VAL 76 H VAL 76 5.316 -16.180 -0.659 531 HA VAL 76 HA VAL 76 3.434 -14.598 -2.383 532 HB VAL 76 HB VAL 76 5.079 -12.804 -2.349 533 1HG1 VAL 76 1HG1 VAL 76 4.636 -11.978 -0.104 534 2HG1 VAL 76 2HG1 VAL 76 3.211 -12.845 -0.700 535 3HG1 VAL 76 3HG1 VAL 76 4.298 -13.616 0.483 536 1HG2 VAL 76 1HG2 VAL 76 6.907 -12.742 -0.700 537 2HG2 VAL 76 2HG2 VAL 76 6.582 -14.420 -0.239 538 3HG2 VAL 76 3HG2 VAL 76 7.162 -14.029 -1.881 539 H GLU 77 H GLU 77 3.920 -14.543 -4.598 540 HA GLU 77 HA GLU 77 5.453 -16.756 -5.531 541 1HB GLU 77 HB2 GLU 77 3.491 -15.938 -6.695 542 2HB GLU 77 HB3 GLU 77 4.312 -14.395 -7.055 543 1HG GLU 77 HG2 GLU 77 6.006 -15.684 -8.406 544 2HG GLU 77 HG3 GLU 77 5.111 -17.170 -8.052 545 H ARG 78 H ARG 78 7.495 -16.956 -6.268 546 HA ARG 78 HA ARG 78 9.396 -14.822 -5.626 547 1HB ARG 78 HB2 ARG 78 9.780 -17.282 -5.212 548 2HB ARG 78 HB3 ARG 78 9.941 -17.510 -6.952 549 1HG ARG 78 HG2 ARG 78 11.834 -15.867 -6.972 550 2HG ARG 78 HG3 ARG 78 11.660 -15.664 -5.225 551 1HD ARG 78 HD2 ARG 78 12.430 -18.241 -6.675 552 2HD ARG 78 HD3 ARG 78 13.507 -17.164 -5.807 553 HE ARG 78 HE ARG 78 12.627 -17.750 -3.733 554 1HH1 ARG 78 1HH1 ARG 78 11.640 -19.199 -2.306 555 2HH1 ARG 78 2HH1 ARG 78 10.429 -20.305 -2.903 556 1HH2 ARG 78 1HH2 ARG 78 11.221 -19.734 -6.298 557 2HH2 ARG 78 2HH2 ARG 78 10.447 -20.860 -5.220 558 H SER 79 H SER 79 8.063 -13.425 -7.235 559 HA SER 79 HA SER 79 9.597 -13.177 -9.714 560 1HB SER 79 HB2 SER 79 6.578 -13.645 -9.829 561 2HB SER 79 HB3 SER 79 7.641 -13.280 -11.196 562 HG SER 79 HG SER 79 8.721 -15.363 -10.058 Start of MODEL 6 1 H GLY 1 H GLY 1 -9.607 -32.578 -7.553 2 1HA GLY 1 HA2 GLY 1 -7.029 -33.659 -6.581 3 2HA GLY 1 HA3 GLY 1 -8.294 -34.805 -7.074 4 H VAL 2 H VAL 2 -7.130 -31.654 -8.319 5 HA VAL 2 HA VAL 2 -6.314 -32.828 -10.898 6 HB VAL 2 HB VAL 2 -7.526 -31.073 -12.143 7 1HG1 VAL 2 1HG1 VAL 2 -9.729 -32.051 -12.106 8 2HG1 VAL 2 2HG1 VAL 2 -8.528 -33.335 -11.880 9 3HG1 VAL 2 3HG1 VAL 2 -9.467 -32.735 -10.494 10 1HG2 VAL 2 1HG2 VAL 2 -7.795 -29.384 -10.363 11 2HG2 VAL 2 2HG2 VAL 2 -9.346 -29.789 -11.107 12 3HG2 VAL 2 3HG2 VAL 2 -8.940 -30.443 -9.511 13 H THR 3 H THR 3 -5.253 -30.877 -12.222 14 HA THR 3 HA THR 3 -3.138 -29.860 -10.550 15 HB THR 3 HB THR 3 -2.417 -28.931 -12.810 16 HG1 THR 3 HG1 THR 3 -4.467 -28.718 -13.702 17 1HG2 THR 3 1HG2 THR 3 -1.960 -31.124 -13.801 18 2HG2 THR 3 2HG2 THR 3 -1.698 -31.182 -12.048 19 3HG2 THR 3 3HG2 THR 3 -3.165 -31.894 -12.756 20 H LYS 4 H LYS 4 -5.035 -28.727 -9.260 21 HA LYS 4 HA LYS 4 -5.586 -25.991 -10.295 22 1HB LYS 4 HB2 LYS 4 -7.408 -27.306 -9.333 23 2HB LYS 4 HB3 LYS 4 -6.565 -27.439 -7.787 24 1HG LYS 4 HG2 LYS 4 -7.141 -24.711 -9.000 25 2HG LYS 4 HG3 LYS 4 -8.446 -25.625 -8.235 26 1HD LYS 4 HD2 LYS 4 -7.193 -25.802 -6.137 27 2HD LYS 4 HD3 LYS 4 -5.859 -24.852 -6.804 28 1HE LYS 4 HE2 LYS 4 -8.727 -23.876 -6.449 29 2HE LYS 4 HE3 LYS 4 -7.358 -23.500 -5.392 30 1HZ LYS 4 HZ1 LYS 4 -7.577 -22.763 -8.224 31 2HZ LYS 4 HZ2 LYS 4 -7.741 -21.752 -6.936 32 3HZ LYS 4 HZ3 LYS 4 -6.282 -22.449 -7.255 33 H GLU 5 H GLU 5 -3.973 -27.741 -7.621 34 HA GLU 5 HA GLU 5 -2.824 -25.318 -6.508 35 1HB GLU 5 HB2 GLU 5 -2.192 -28.222 -5.888 36 2HB GLU 5 HB3 GLU 5 -1.716 -26.815 -4.936 37 1HG GLU 5 HG2 GLU 5 -4.569 -27.803 -5.382 38 2HG GLU 5 HG3 GLU 5 -3.608 -27.932 -3.902 39 H ILE 6 H ILE 6 -2.099 -25.161 -9.064 40 HA ILE 6 HA ILE 6 0.569 -26.341 -9.471 41 HB ILE 6 HB ILE 6 0.569 -24.925 -11.545 42 1HG1 ILE 6 2HG1 ILE 6 -2.408 -24.529 -10.981 43 2HG1 ILE 6 3HG1 ILE 6 -1.188 -23.267 -10.731 44 1HG2 ILE 6 1HG2 ILE 6 0.058 -27.300 -11.484 45 2HG2 ILE 6 2HG2 ILE 6 -1.649 -26.955 -11.136 46 3HG2 ILE 6 3HG2 ILE 6 -0.937 -26.502 -12.702 47 1HD1 ILE 6 1HD1 ILE 6 -2.217 -22.928 -12.871 48 2HD1 ILE 6 2HD1 ILE 6 -0.538 -23.439 -13.129 49 3HD1 ILE 6 3HD1 ILE 6 -1.877 -24.587 -13.381 50 H ARG 7 H ARG 7 1.008 -25.386 -7.237 51 HA ARG 7 HA ARG 7 1.887 -22.567 -7.272 52 1HB ARG 7 HB2 ARG 7 2.273 -24.762 -5.205 53 2HB ARG 7 HB3 ARG 7 2.703 -23.062 -5.012 54 1HG ARG 7 HG2 ARG 7 -0.102 -24.223 -5.281 55 2HG ARG 7 HG3 ARG 7 0.645 -23.481 -3.868 56 1HD ARG 7 HD2 ARG 7 -0.652 -21.704 -4.610 57 2HD ARG 7 HD3 ARG 7 0.870 -21.342 -5.390 58 HE ARG 7 HE ARG 7 -0.051 -21.818 -7.473 59 1HH1 ARG 7 1HH1 ARG 7 -2.299 -22.868 -4.943 60 2HH1 ARG 7 2HH1 ARG 7 -3.577 -23.250 -6.055 61 1HH2 ARG 7 1HH2 ARG 7 -1.690 -22.393 -8.927 62 2HH2 ARG 7 2HH2 ARG 7 -3.126 -23.226 -8.373 63 H ILE 8 H ILE 8 3.032 -23.015 -9.266 64 HA ILE 8 HA ILE 8 5.262 -24.508 -9.745 65 HB ILE 8 HB ILE 8 4.732 -21.583 -10.373 66 1HG1 ILE 8 2HG1 ILE 8 4.484 -24.103 -12.089 67 2HG1 ILE 8 3HG1 ILE 8 3.136 -23.315 -11.268 68 1HG2 ILE 8 1HG2 ILE 8 7.202 -22.019 -10.597 69 2HG2 ILE 8 2HG2 ILE 8 6.822 -23.313 -11.757 70 3HG2 ILE 8 3HG2 ILE 8 6.418 -21.625 -12.110 71 1HD1 ILE 8 1HD1 ILE 8 3.596 -21.223 -12.572 72 2HD1 ILE 8 2HD1 ILE 8 4.776 -22.146 -13.537 73 3HD1 ILE 8 3HD1 ILE 8 3.073 -22.618 -13.534 74 HA PRO 9 HA PRO 9 7.974 -23.407 -6.388 75 1HB PRO 9 HB2 PRO 9 10.330 -24.574 -7.116 76 2HB PRO 9 HB3 PRO 9 8.861 -25.498 -6.716 77 1HG PRO 9 HG2 PRO 9 9.781 -24.665 -9.483 78 2HG PRO 9 HG3 PRO 9 9.380 -26.318 -8.924 79 1HD PRO 9 HD2 PRO 9 7.543 -24.813 -10.197 80 2HD PRO 9 HD3 PRO 9 7.059 -25.790 -8.782 81 H THR 10 H THR 10 7.517 -21.111 -7.444 82 HA THR 10 HA THR 10 10.151 -19.755 -7.443 83 HB THR 10 HB THR 10 8.026 -19.117 -9.520 84 HG1 THR 10 HG1 THR 10 10.148 -20.904 -9.475 85 1HG2 THR 10 1HG2 THR 10 10.925 -18.211 -9.152 86 2HG2 THR 10 2HG2 THR 10 9.889 -17.817 -10.539 87 3HG2 THR 10 3HG2 THR 10 9.480 -17.196 -8.934 88 H LEU 11 H LEU 11 8.780 -20.158 -5.301 89 HA LEU 11 HA LEU 11 7.387 -17.640 -4.652 90 1HB LEU 11 HB2 LEU 11 6.420 -20.429 -3.923 91 2HB LEU 11 HB3 LEU 11 5.686 -18.911 -3.407 92 HG LEU 11 HG LEU 11 5.792 -19.898 -6.302 93 1HD1 LEU 11 1HD1 LEU 11 3.443 -19.903 -4.394 94 2HD1 LEU 11 2HD1 LEU 11 3.485 -20.491 -6.065 95 3HD1 LEU 11 3HD1 LEU 11 4.416 -21.339 -4.814 96 1HD2 LEU 11 1HD2 LEU 11 3.830 -18.217 -6.490 97 2HD2 LEU 11 2HD2 LEU 11 4.447 -17.504 -4.986 98 3HD2 LEU 11 3HD2 LEU 11 5.452 -17.564 -6.458 99 H GLU 12 H GLU 12 7.478 -17.209 -2.378 100 HA GLU 12 HA GLU 12 9.493 -18.716 -0.779 101 1HB GLU 12 HB2 GLU 12 9.207 -15.695 -1.092 102 2HB GLU 12 HB3 GLU 12 10.335 -16.534 -0.015 103 1HG GLU 12 HG2 GLU 12 11.453 -17.552 -1.973 104 2HG GLU 12 HG3 GLU 12 10.342 -16.718 -3.077 105 H GLU 13 H GLU 13 8.591 -19.293 1.115 106 HA GLU 13 HA GLU 13 5.960 -18.561 1.922 107 1HB GLU 13 HB2 GLU 13 8.289 -20.015 3.194 108 2HB GLU 13 HB3 GLU 13 6.928 -19.528 4.200 109 1HG GLU 13 HG2 GLU 13 6.655 -21.832 3.336 110 2HG GLU 13 HG3 GLU 13 5.347 -20.741 2.871 111 H CYS 14 H CYS 14 5.173 -16.993 3.214 112 HA CYS 14 HA CYS 14 6.750 -14.652 3.764 113 1HB CYS 14 HB2 CYS 14 4.314 -14.666 3.311 114 2HB CYS 14 HB3 CYS 14 4.079 -15.607 4.754 115 H ASP 15 H ASP 15 8.257 -14.641 5.407 116 HA ASP 15 HA ASP 15 8.489 -16.502 7.490 117 1HB ASP 15 HB2 ASP 15 10.081 -14.986 8.478 118 2HB ASP 15 HB3 ASP 15 10.300 -14.979 6.724 119 H VAL 16 H VAL 16 6.827 -13.354 7.438 120 HA VAL 16 HA VAL 16 6.211 -13.094 10.157 121 HB VAL 16 HB VAL 16 4.582 -12.138 7.774 122 1HG1 VAL 16 1HG1 VAL 16 3.346 -11.964 9.877 123 2HG1 VAL 16 2HG1 VAL 16 4.714 -11.102 10.624 124 3HG1 VAL 16 3HG1 VAL 16 3.814 -10.369 9.276 125 1HG2 VAL 16 1HG2 VAL 16 5.891 -10.003 8.188 126 2HG2 VAL 16 2HG2 VAL 16 6.936 -10.914 9.288 127 3HG2 VAL 16 3HG2 VAL 16 6.880 -11.322 7.561 128 H CYS 17 H CYS 17 4.178 -14.792 7.679 129 HA CYS 17 HA CYS 17 2.468 -15.779 9.923 130 1HB CYS 17 HB2 CYS 17 0.965 -16.559 8.245 131 2HB CYS 17 HB3 CYS 17 1.246 -14.815 8.166 132 H HIS 18 H HIS 18 5.286 -16.738 8.365 133 HA HIS 18 HA HIS 18 6.485 -18.598 8.489 134 1HB HIS 18 HB2 HIS 18 4.327 -19.983 10.062 135 2HB HIS 18 HB3 HIS 18 6.075 -20.228 10.123 136 HD1 HIS 18 HD1 HIS 18 6.566 -16.929 10.660 137 HD2 HIS 18 HD2 HIS 18 3.977 -19.596 12.630 138 HE1 HIS 18 HE1 HIS 18 6.049 -15.900 12.928 139 H GLY 19 H GLY 19 4.884 -18.064 6.302 140 1HA GLY 19 HA2 GLY 19 4.383 -19.147 4.325 141 2HA GLY 19 HA3 GLY 19 4.795 -20.681 5.089 142 H SER 20 H SER 20 2.411 -19.478 7.134 143 HA SER 20 HA SER 20 0.506 -21.359 5.975 144 1HB SER 20 HB2 SER 20 -0.967 -20.707 7.809 145 2HB SER 20 HB3 SER 20 0.620 -21.176 8.402 146 HG SER 20 HG SER 20 1.057 -19.058 8.885 147 H GLY 21 H GLY 21 0.111 -18.055 6.932 148 1HA GLY 21 HA2 GLY 21 -0.648 -16.340 5.097 149 2HA GLY 21 HA3 GLY 21 -1.983 -17.480 4.895 150 H ALA 22 H ALA 22 -1.290 -17.909 8.086 151 HA ALA 22 HA ALA 22 -3.496 -16.274 8.964 152 1HB ALA 22 HB1 ALA 22 -3.097 -18.523 9.784 153 2HB ALA 22 HB2 ALA 22 -1.517 -18.041 10.451 154 3HB ALA 22 HB3 ALA 22 -3.007 -17.366 11.130 155 H LYS 23 H LYS 23 -3.399 -14.346 10.000 156 HA LYS 23 HA LYS 23 -1.366 -12.546 9.884 157 1HB LYS 23 HB2 LYS 23 -3.658 -11.992 10.404 158 2HB LYS 23 HB3 LYS 23 -3.587 -12.894 11.919 159 1HG LYS 23 HG2 LYS 23 -1.903 -11.178 12.766 160 2HG LYS 23 HG3 LYS 23 -2.284 -10.226 11.304 161 1HD LYS 23 HD2 LYS 23 -4.670 -10.194 11.967 162 2HD LYS 23 HD3 LYS 23 -4.284 -11.179 13.397 163 1HE LYS 23 HE2 LYS 23 -2.774 -9.400 14.234 164 2HE LYS 23 HE3 LYS 23 -3.173 -8.393 12.826 165 1HZ LYS 23 HZ1 LYS 23 -4.461 -7.810 14.737 166 2HZ LYS 23 HZ2 LYS 23 -5.450 -8.401 13.558 167 3HZ LYS 23 HZ3 LYS 23 -5.068 -9.336 14.862 168 HA PRO 24 HA PRO 24 1.877 -13.831 12.610 169 1HB PRO 24 HB2 PRO 24 2.656 -11.379 13.755 170 2HB PRO 24 HB3 PRO 24 3.217 -12.086 12.223 171 1HG PRO 24 HG2 PRO 24 1.002 -10.077 12.677 172 2HG PRO 24 HG3 PRO 24 2.259 -10.038 11.409 173 1HD PRO 24 HD2 PRO 24 -0.211 -10.874 10.842 174 2HD PRO 24 HD3 PRO 24 1.144 -11.815 10.190 175 H GLY 25 H GLY 25 2.060 -14.517 14.727 176 1HA GLY 25 HA2 GLY 25 1.415 -15.057 16.843 177 2HA GLY 25 HA3 GLY 25 1.010 -13.346 17.055 178 H THR 26 H THR 26 -0.697 -15.141 14.533 179 HA THR 26 HA THR 26 -3.053 -15.596 16.272 180 HB THR 26 HB THR 26 -3.210 -14.405 13.496 181 HG1 THR 26 HG1 THR 26 -2.003 -12.953 14.816 182 1HG2 THR 26 1HG2 THR 26 -5.101 -14.314 15.888 183 2HG2 THR 26 2HG2 THR 26 -5.395 -13.561 14.309 184 3HG2 THR 26 3HG2 THR 26 -5.318 -15.324 14.437 185 H GLN 27 H GLN 27 -4.523 -17.155 15.193 186 HA GLN 27 HA GLN 27 -3.004 -19.097 13.528 187 1HB GLN 27 HB2 GLN 27 -3.853 -20.868 14.807 188 2HB GLN 27 HB3 GLN 27 -3.246 -19.680 15.953 189 1HG GLN 27 HG2 GLN 27 -6.182 -20.199 15.255 190 2HG GLN 27 HG3 GLN 27 -5.320 -20.741 16.686 191 1HE2 GLN 27 1HE2 GLN 27 -6.704 -16.888 16.524 192 2HE2 GLN 27 2HE2 GLN 27 -6.652 -17.870 15.055 193 HA PRO 28 HA PRO 28 -6.653 -19.066 10.873 194 1HB PRO 28 HB2 PRO 28 -6.210 -21.214 9.340 195 2HB PRO 28 HB3 PRO 28 -5.076 -19.836 9.296 196 1HG PRO 28 HG2 PRO 28 -4.797 -22.408 10.886 197 2HG PRO 28 HG3 PRO 28 -3.574 -21.653 9.819 198 1HD PRO 28 HD2 PRO 28 -3.675 -21.314 12.550 199 2HD PRO 28 HD3 PRO 28 -3.047 -20.057 11.458 200 H GLN 29 H GLN 29 -8.378 -20.920 10.187 201 HA GLN 29 HA GLN 29 -8.943 -22.557 12.667 202 1HB GLN 29 HB2 GLN 29 -10.904 -21.133 10.842 203 2HB GLN 29 HB3 GLN 29 -11.319 -22.286 12.125 204 1HG GLN 29 HG2 GLN 29 -10.106 -20.835 13.780 205 2HG GLN 29 HG3 GLN 29 -9.867 -19.628 12.504 206 1HE2 GLN 29 1HE2 GLN 29 -12.862 -18.595 14.434 207 2HE2 GLN 29 2HE2 GLN 29 -11.147 -18.778 14.753 208 H THR 30 H THR 30 -9.075 -24.727 12.397 209 HA THR 30 HA THR 30 -8.316 -26.080 10.172 210 HB THR 30 HB THR 30 -10.435 -27.071 12.130 211 HG1 THR 30 HG1 THR 30 -8.654 -27.347 13.576 212 1HG2 THR 30 1HG2 THR 30 -7.939 -28.368 10.939 213 2HG2 THR 30 2HG2 THR 30 -9.082 -29.144 12.056 214 3HG2 THR 30 3HG2 THR 30 -9.620 -28.674 10.434 215 H CYS 31 H CYS 31 -9.270 -26.434 8.134 216 HA CYS 31 HA CYS 31 -11.880 -25.432 7.568 217 1HB CYS 31 HB2 CYS 31 -10.082 -25.687 5.875 218 2HB CYS 31 HB3 CYS 31 -10.229 -27.437 6.021 219 HA PRO 32 HA PRO 32 -13.795 -29.102 9.405 220 1HB PRO 32 HB2 PRO 32 -16.430 -28.450 9.240 221 2HB PRO 32 HB3 PRO 32 -15.290 -27.665 10.377 222 1HG PRO 32 HG2 PRO 32 -16.171 -26.627 7.668 223 2HG PRO 32 HG3 PRO 32 -16.162 -25.752 9.225 224 1HD PRO 32 HD2 PRO 32 -14.127 -25.543 7.431 225 2HD PRO 32 HD3 PRO 32 -13.816 -25.528 9.192 226 H THR 33 H THR 33 -14.778 -27.762 6.215 227 HA THR 33 HA THR 33 -16.251 -29.749 5.128 228 HB THR 33 HB THR 33 -14.062 -28.390 3.543 229 HG1 THR 33 HG1 THR 33 -16.335 -27.059 4.586 230 1HG2 THR 33 1HG2 THR 33 -15.811 -29.709 2.348 231 2HG2 THR 33 2HG2 THR 33 -17.067 -28.691 3.074 232 3HG2 THR 33 3HG2 THR 33 -15.887 -27.981 1.953 233 H CYS 34 H CYS 34 -12.713 -29.761 5.520 234 HA CYS 34 HA CYS 34 -12.601 -32.593 4.503 235 1HB CYS 34 HB2 CYS 34 -10.206 -32.051 4.013 236 2HB CYS 34 HB3 CYS 34 -11.391 -31.316 2.948 237 H HIS 35 H HIS 35 -13.008 -31.200 7.296 238 HA HIS 35 HA HIS 35 -12.290 -31.452 9.439 239 1HB HIS 35 HB2 HIS 35 -11.397 -34.200 8.482 240 2HB HIS 35 HB3 HIS 35 -11.815 -33.731 10.127 241 HD1 HIS 35 HD1 HIS 35 -14.565 -32.220 8.387 242 HD2 HIS 35 HD2 HIS 35 -13.304 -36.176 9.098 243 HE1 HIS 35 HE1 HIS 35 -16.614 -33.699 8.116 244 H GLY 36 H GLY 36 -10.452 -30.039 7.890 245 1HA GLY 36 HA2 GLY 36 -8.339 -29.169 8.142 246 2HA GLY 36 HA3 GLY 36 -8.007 -30.349 9.415 247 H SER 37 H SER 37 -8.857 -32.425 7.060 248 HA SER 37 HA SER 37 -6.207 -33.242 6.559 249 1HB SER 37 HB2 SER 37 -8.613 -34.114 4.930 250 2HB SER 37 HB3 SER 37 -7.183 -35.046 5.409 251 HG SER 37 HG SER 37 -9.420 -34.228 6.925 252 H GLY 38 H GLY 38 -7.940 -30.780 4.957 253 1HA GLY 38 HA2 GLY 38 -7.368 -29.481 3.120 254 2HA GLY 38 HA3 GLY 38 -5.899 -30.437 2.929 255 H GLN 39 H GLN 39 -8.368 -32.683 2.952 256 HA GLN 39 HA GLN 39 -8.942 -32.467 0.058 257 1HB GLN 39 HB2 GLN 39 -8.590 -34.929 -0.114 258 2HB GLN 39 HB3 GLN 39 -7.157 -33.939 0.089 259 1HG GLN 39 HG2 GLN 39 -6.486 -35.381 1.612 260 2HG GLN 39 HG3 GLN 39 -7.616 -34.649 2.727 261 1HE2 GLN 39 1HE2 GLN 39 -9.899 -37.463 2.591 262 2HE2 GLN 39 2HE2 GLN 39 -9.917 -35.699 2.725 263 H VAL 40 H VAL 40 -11.004 -32.670 -0.383 264 HA VAL 40 HA VAL 40 -12.957 -33.293 1.757 265 HB VAL 40 HB VAL 40 -14.589 -33.067 -0.209 266 1HG1 VAL 40 1HG1 VAL 40 -12.935 -30.647 0.552 267 2HG1 VAL 40 2HG1 VAL 40 -14.576 -30.641 -0.148 268 3HG1 VAL 40 3HG1 VAL 40 -14.299 -31.343 1.463 269 1HG2 VAL 40 1HG2 VAL 40 -12.871 -33.336 -2.030 270 2HG2 VAL 40 2HG2 VAL 40 -13.909 -31.915 -2.205 271 3HG2 VAL 40 3HG2 VAL 40 -12.246 -31.724 -1.627 272 H GLN 41 H GLN 41 -13.824 -35.340 1.998 273 HA GLN 41 HA GLN 41 -13.038 -37.358 -0.044 274 1HB GLN 41 HB2 GLN 41 -11.966 -37.346 2.173 275 2HB GLN 41 HB3 GLN 41 -13.478 -37.910 2.885 276 1HG GLN 41 HG2 GLN 41 -13.336 -40.004 1.759 277 2HG GLN 41 HG3 GLN 41 -12.324 -39.363 0.469 278 1HE2 GLN 41 1HE2 GLN 41 -10.023 -41.461 2.325 279 2HE2 GLN 41 2HE2 GLN 41 -11.399 -41.620 1.232 280 H MET 42 H MET 42 -14.632 -37.846 -1.285 281 HA MET 42 HA MET 42 -17.427 -37.406 -0.617 282 1HB MET 42 HB2 MET 42 -16.188 -38.827 -3.014 283 2HB MET 42 HB3 MET 42 -17.826 -38.176 -2.883 284 1HG MET 42 HG2 MET 42 -15.191 -36.655 -2.994 285 2HG MET 42 HG3 MET 42 -16.468 -36.667 -4.198 286 1HE MET 42 HE1 MET 42 -19.111 -36.221 -2.392 287 2HE MET 42 HE2 MET 42 -19.224 -34.451 -2.512 288 3HE MET 42 HE3 MET 42 -18.771 -35.408 -3.943 289 H ARG 43 H ARG 43 -17.189 -38.736 1.331 290 HA ARG 43 HA ARG 43 -16.804 -41.554 1.343 291 1HB ARG 43 HB2 ARG 43 -18.147 -39.641 3.273 292 2HB ARG 43 HB3 ARG 43 -17.841 -41.342 3.649 293 1HG ARG 43 HG2 ARG 43 -15.602 -41.060 3.935 294 2HG ARG 43 HG3 ARG 43 -15.460 -39.927 2.594 295 1HD ARG 43 HD2 ARG 43 -14.881 -38.811 4.625 296 2HD ARG 43 HD3 ARG 43 -16.362 -38.099 3.951 297 HE ARG 43 HE ARG 43 -17.158 -40.068 5.801 298 1HH1 ARG 43 1HH1 ARG 43 -15.414 -37.001 5.755 299 2HH1 ARG 43 2HH1 ARG 43 -15.747 -36.586 7.417 300 1HH2 ARG 43 1HH2 ARG 43 -17.676 -39.523 7.990 301 2HH2 ARG 43 2HH2 ARG 43 -17.093 -38.030 8.682 302 H GLN 44 H GLN 44 -18.278 -41.742 -0.720 303 HA GLN 44 HA GLN 44 -21.138 -42.039 -0.213 304 1HB GLN 44 HB2 GLN 44 -21.151 -42.905 -2.534 305 2HB GLN 44 HB3 GLN 44 -20.409 -41.318 -2.385 306 1HG GLN 44 HG2 GLN 44 -18.418 -42.014 -3.179 307 2HG GLN 44 HG3 GLN 44 -18.370 -43.419 -2.115 308 1HE2 GLN 44 1HE2 GLN 44 -20.014 -45.645 -4.434 309 2HE2 GLN 44 2HE2 GLN 44 -20.065 -45.197 -2.740 310 H GLY 45 H GLY 45 -20.042 -43.458 1.751 311 1HA GLY 45 HA2 GLY 45 -20.202 -45.477 2.797 312 2HA GLY 45 HA3 GLY 45 -21.071 -46.107 1.395 313 H PHE 46 H PHE 46 -19.524 -46.451 -0.589 314 HA PHE 46 HA PHE 46 -17.329 -48.208 0.372 315 1HB PHE 46 HB2 PHE 46 -17.548 -49.276 -1.857 316 2HB PHE 46 HB3 PHE 46 -18.888 -49.463 -0.746 317 HD1 PHE 46 HD1 PHE 46 -18.026 -48.635 -4.104 318 HD2 PHE 46 HD2 PHE 46 -21.008 -48.054 -1.042 319 HE1 PHE 46 HE1 PHE 46 -19.730 -48.184 -5.833 320 HE2 PHE 46 HE2 PHE 46 -22.677 -47.500 -2.775 321 HZ PHE 46 HZ PHE 46 -22.055 -47.595 -5.180 322 H PHE 47 H PHE 47 -17.721 -46.335 -2.732 323 HA PHE 47 HA PHE 47 -14.802 -46.124 -2.831 324 1HB PHE 47 HB2 PHE 47 -16.832 -44.783 -4.621 325 2HB PHE 47 HB3 PHE 47 -15.116 -44.960 -4.915 326 HD1 PHE 47 HD1 PHE 47 -17.680 -45.837 -6.563 327 HD2 PHE 47 HD2 PHE 47 -14.732 -47.906 -4.172 328 HE1 PHE 47 HE1 PHE 47 -17.949 -47.865 -7.959 329 HE2 PHE 47 HE2 PHE 47 -15.066 -49.938 -5.527 330 HZ PHE 47 HZ PHE 47 -16.673 -49.931 -7.422 331 H ALA 48 H ALA 48 -14.796 -45.083 -0.656 332 HA ALA 48 HA ALA 48 -15.540 -42.288 -0.459 333 1HB ALA 48 HB1 ALA 48 -15.487 -43.793 1.488 334 2HB ALA 48 HB2 ALA 48 -13.734 -43.997 1.295 335 3HB ALA 48 HB3 ALA 48 -14.403 -42.407 1.721 336 H VAL 49 H VAL 49 -14.301 -42.043 -2.699 337 HA VAL 49 HA VAL 49 -11.418 -41.494 -2.344 338 HB VAL 49 HB VAL 49 -11.609 -40.650 -4.739 339 1HG1 VAL 49 1HG1 VAL 49 -11.546 -42.944 -5.609 340 2HG1 VAL 49 2HG1 VAL 49 -10.631 -42.750 -4.098 341 3HG1 VAL 49 3HG1 VAL 49 -12.226 -43.543 -4.072 342 1HG2 VAL 49 1HG2 VAL 49 -14.273 -42.123 -4.755 343 2HG2 VAL 49 2HG2 VAL 49 -14.120 -40.350 -4.743 344 3HG2 VAL 49 3HG2 VAL 49 -13.467 -41.296 -6.092 345 H GLN 50 H GLN 50 -10.513 -39.406 -3.029 346 HA GLN 50 HA GLN 50 -12.198 -37.183 -2.022 347 1HB GLN 50 HB2 GLN 50 -10.176 -36.390 -0.820 348 2HB GLN 50 HB3 GLN 50 -10.570 -38.033 -0.318 349 1HG GLN 50 HG2 GLN 50 -8.605 -37.599 -2.582 350 2HG GLN 50 HG3 GLN 50 -8.099 -37.306 -0.931 351 1HE2 GLN 50 1HE2 GLN 50 -8.037 -40.740 0.010 352 2HE2 GLN 50 2HE2 GLN 50 -7.982 -39.070 0.574 353 H GLN 51 H GLN 51 -11.191 -35.043 -2.282 354 HA GLN 51 HA GLN 51 -9.734 -34.621 -4.825 355 1HB GLN 51 HB2 GLN 51 -12.234 -33.060 -4.075 356 2HB GLN 51 HB3 GLN 51 -11.308 -32.900 -5.545 357 1HG GLN 51 HG2 GLN 51 -12.157 -34.919 -6.462 358 2HG GLN 51 HG3 GLN 51 -12.764 -35.506 -4.910 359 1HE2 GLN 51 1HE2 GLN 51 -15.631 -33.360 -4.765 360 2HE2 GLN 51 2HE2 GLN 51 -14.377 -34.033 -3.751 361 H THR 52 H THR 52 -8.618 -32.464 -4.693 362 HA THR 52 HA THR 52 -7.785 -31.747 -2.068 363 HB THR 52 HB THR 52 -7.735 -30.032 -4.595 364 HG1 THR 52 HG1 THR 52 -6.004 -32.124 -3.764 365 1HG2 THR 52 1HG2 THR 52 -5.608 -29.211 -3.607 366 2HG2 THR 52 2HG2 THR 52 -6.989 -28.862 -2.556 367 3HG2 THR 52 3HG2 THR 52 -5.890 -30.203 -2.162 368 H CYS 53 H CYS 53 -8.697 -30.227 -0.589 369 HA CYS 53 HA CYS 53 -11.385 -29.352 -1.129 370 1HB CYS 53 HB2 CYS 53 -10.588 -29.932 1.118 371 2HB CYS 53 HB3 CYS 53 -9.498 -28.542 1.084 372 HA PRO 54 HA PRO 54 -9.765 -25.640 -3.218 373 1HB PRO 54 HB2 PRO 54 -12.083 -24.536 -4.118 374 2HB PRO 54 HB3 PRO 54 -11.379 -26.019 -4.826 375 1HG PRO 54 HG2 PRO 54 -13.589 -25.842 -2.758 376 2HG PRO 54 HG3 PRO 54 -13.568 -26.801 -4.263 377 1HD PRO 54 HD2 PRO 54 -12.909 -27.881 -1.849 378 2HD PRO 54 HD3 PRO 54 -12.090 -28.382 -3.356 379 H HIS 55 H HIS 55 -12.440 -25.570 -0.856 380 HA HIS 55 HA HIS 55 -12.635 -22.904 -0.271 381 1HB HIS 55 HB2 HIS 55 -14.010 -24.802 0.641 382 2HB HIS 55 HB3 HIS 55 -12.718 -25.125 1.807 383 HD1 HIS 55 HD1 HIS 55 -12.581 -21.600 1.909 384 HD2 HIS 55 HD2 HIS 55 -15.455 -24.464 3.044 385 HE1 HIS 55 HE1 HIS 55 -14.150 -20.454 3.579 386 H CYS 56 H CYS 56 -10.147 -25.135 0.914 387 HA CYS 56 HA CYS 56 -8.618 -22.833 2.097 388 1HB CYS 56 HB2 CYS 56 -7.609 -24.453 3.611 389 2HB CYS 56 HB3 CYS 56 -9.338 -24.282 3.875 390 H GLN 57 H GLN 57 -8.721 -24.135 -0.725 391 HA GLN 57 HA GLN 57 -7.308 -24.923 -2.314 392 1HB GLN 57 HB2 GLN 57 -5.338 -23.014 -0.993 393 2HB GLN 57 HB3 GLN 57 -5.424 -23.489 -2.687 394 1HG GLN 57 HG2 GLN 57 -6.318 -21.325 -2.614 395 2HG GLN 57 HG3 GLN 57 -7.728 -22.380 -2.771 396 1HE2 GLN 57 1HE2 GLN 57 -9.208 -21.142 0.211 397 2HE2 GLN 57 2HE2 GLN 57 -9.364 -22.033 -1.284 398 H GLY 58 H GLY 58 -7.322 -26.861 -0.388 399 1HA GLY 58 HA2 GLY 58 -6.132 -28.750 0.170 400 2HA GLY 58 HA3 GLY 58 -4.788 -28.177 -0.810 401 H ARG 59 H ARG 59 -5.125 -25.661 1.285 402 HA ARG 59 HA ARG 59 -2.852 -26.425 2.873 403 1HB ARG 59 HB2 ARG 59 -4.693 -24.019 3.113 404 2HB ARG 59 HB3 ARG 59 -3.088 -24.161 3.808 405 1HG ARG 59 HG2 ARG 59 -1.990 -23.840 1.789 406 2HG ARG 59 HG3 ARG 59 -3.275 -24.545 0.824 407 1HD ARG 59 HD2 ARG 59 -3.307 -22.269 0.290 408 2HD ARG 59 HD3 ARG 59 -4.723 -22.544 1.315 409 HE ARG 59 HE ARG 59 -2.407 -21.700 2.833 410 1HH1 ARG 59 1HH1 ARG 59 -2.098 -19.538 3.414 411 2HH1 ARG 59 2HH1 ARG 59 -3.141 -18.280 2.791 412 1HH2 ARG 59 1HH2 ARG 59 -5.150 -20.466 0.853 413 2HH2 ARG 59 2HH2 ARG 59 -4.827 -18.820 1.313 414 H GLY 60 H GLY 60 -6.142 -27.120 3.283 415 1HA GLY 60 HA2 GLY 60 -7.320 -28.101 5.007 416 2HA GLY 60 HA3 GLY 60 -5.794 -28.269 5.869 417 H THR 61 H THR 61 -5.716 -25.069 5.524 418 HA THR 61 HA THR 61 -7.187 -24.519 8.036 419 HB THR 61 HB THR 61 -5.235 -22.689 7.966 420 HG1 THR 61 HG1 THR 61 -4.062 -24.850 6.522 421 1HG2 THR 61 1HG2 THR 61 -5.531 -24.375 9.731 422 2HG2 THR 61 2HG2 THR 61 -4.791 -25.617 8.694 423 3HG2 THR 61 3HG2 THR 61 -3.824 -24.242 9.269 424 H LEU 62 H LEU 62 -8.576 -22.898 8.087 425 HA LEU 62 HA LEU 62 -9.109 -21.301 5.659 426 1HB LEU 62 HB2 LEU 62 -10.596 -21.541 8.305 427 2HB LEU 62 HB3 LEU 62 -11.060 -20.483 6.975 428 HG LEU 62 HG LEU 62 -10.873 -23.514 6.762 429 1HD1 LEU 62 1HD1 LEU 62 -12.693 -22.777 8.276 430 2HD1 LEU 62 2HD1 LEU 62 -13.282 -21.657 7.025 431 3HD1 LEU 62 3HD1 LEU 62 -13.359 -23.405 6.755 432 1HD2 LEU 62 1HD2 LEU 62 -10.575 -22.453 4.555 433 2HD2 LEU 62 2HD2 LEU 62 -12.203 -23.116 4.664 434 3HD2 LEU 62 3HD2 LEU 62 -11.938 -21.366 4.873 435 H ILE 63 H ILE 63 -8.077 -19.529 5.436 436 HA ILE 63 HA ILE 63 -6.590 -18.191 7.525 437 HB ILE 63 HB ILE 63 -7.170 -17.442 4.626 438 1HG1 ILE 63 2HG1 ILE 63 -6.093 -19.663 4.699 439 2HG1 ILE 63 3HG1 ILE 63 -5.076 -18.410 4.017 440 1HG2 ILE 63 1HG2 ILE 63 -6.325 -15.509 5.629 441 2HG2 ILE 63 2HG2 ILE 63 -5.188 -16.395 6.668 442 3HG2 ILE 63 3HG2 ILE 63 -4.897 -16.254 4.921 443 1HD1 ILE 63 1HD1 ILE 63 -3.836 -18.232 6.159 444 2HD1 ILE 63 2HD1 ILE 63 -4.838 -19.535 6.840 445 3HD1 ILE 63 3HD1 ILE 63 -3.763 -19.860 5.471 446 H LYS 64 H LYS 64 -8.744 -18.067 8.778 447 HA LYS 64 HA LYS 64 -10.719 -16.133 8.029 448 1HB LYS 64 HB2 LYS 64 -9.802 -16.990 10.812 449 2HB LYS 64 HB3 LYS 64 -11.283 -16.097 10.447 450 1HG LYS 64 HG2 LYS 64 -10.641 -18.953 9.575 451 2HG LYS 64 HG3 LYS 64 -11.761 -18.418 10.831 452 1HD LYS 64 HD2 LYS 64 -13.053 -17.155 9.016 453 2HD LYS 64 HD3 LYS 64 -12.027 -17.987 7.833 454 1HE LYS 64 HE2 LYS 64 -14.047 -19.252 8.012 455 2HE LYS 64 HE3 LYS 64 -12.780 -20.191 8.826 456 1HZ LYS 64 HZ1 LYS 64 -14.847 -20.102 10.040 457 2HZ LYS 64 HZ2 LYS 64 -13.618 -19.450 10.912 458 3HZ LYS 64 HZ3 LYS 64 -14.730 -18.466 10.187 459 H ASP 65 H ASP 65 -7.602 -15.930 9.604 460 HA ASP 65 HA ASP 65 -7.680 -12.989 10.006 461 1HB ASP 65 HB2 ASP 65 -5.861 -13.445 11.562 462 2HB ASP 65 HB3 ASP 65 -7.309 -14.359 11.984 463 HA PRO 66 HA PRO 66 -5.005 -13.917 6.294 464 1HB PRO 66 HB2 PRO 66 -5.546 -11.701 4.767 465 2HB PRO 66 HB3 PRO 66 -6.590 -13.148 4.822 466 1HG PRO 66 HG2 PRO 66 -6.896 -10.604 6.444 467 2HG PRO 66 HG3 PRO 66 -8.144 -11.429 5.459 468 1HD PRO 66 HD2 PRO 66 -8.013 -11.848 8.112 469 2HD PRO 66 HD3 PRO 66 -8.284 -13.231 7.008 470 H CYS 67 H CYS 67 -2.931 -13.641 6.391 471 HA CYS 67 HA CYS 67 -1.616 -11.469 7.762 472 1HB CYS 67 HB2 CYS 67 -0.631 -13.708 7.560 473 2HB CYS 67 HB3 CYS 67 -0.623 -13.576 5.803 474 H ASN 68 H ASN 68 -2.582 -9.674 6.770 475 HA ASN 68 HA ASN 68 -3.012 -8.861 4.263 476 1HB ASN 68 HB2 ASN 68 -3.398 -7.413 6.182 477 2HB ASN 68 HB3 ASN 68 -1.654 -7.216 6.430 478 1HD2 ASN 68 1HD2 ASN 68 -3.481 -5.204 3.319 479 2HD2 ASN 68 2HD2 ASN 68 -4.288 -6.594 4.024 480 H LYS 69 H LYS 69 0.260 -8.817 5.695 481 HA LYS 69 HA LYS 69 1.756 -7.558 3.780 482 1HB LYS 69 HB2 LYS 69 2.596 -8.444 5.924 483 2HB LYS 69 HB3 LYS 69 2.502 -10.097 5.287 484 1HG LYS 69 HG2 LYS 69 4.183 -9.554 3.562 485 2HG LYS 69 HG3 LYS 69 4.210 -7.864 4.106 486 1HD LYS 69 HD2 LYS 69 5.100 -8.548 6.293 487 2HD LYS 69 HD3 LYS 69 4.900 -10.258 5.872 488 1HE LYS 69 HE2 LYS 69 7.250 -9.604 5.644 489 2HE LYS 69 HE3 LYS 69 6.578 -10.049 4.069 490 1HZ LYS 69 HZ1 LYS 69 7.891 -8.061 3.973 491 2HZ LYS 69 HZ2 LYS 69 6.326 -7.725 3.588 492 3HZ LYS 69 HZ3 LYS 69 6.919 -7.305 5.069 493 H CYS 70 H CYS 70 0.541 -10.926 3.605 494 HA CYS 70 HA CYS 70 1.350 -11.017 0.710 495 1HB CYS 70 HB2 CYS 70 1.655 -13.434 0.971 496 2HB CYS 70 HB3 CYS 70 2.803 -12.513 1.931 497 H HIS 71 H HIS 71 -1.086 -10.072 2.103 498 HA HIS 71 HA HIS 71 -3.347 -10.287 2.122 499 1HB HIS 71 HB2 HIS 71 -2.818 -11.405 -0.653 500 2HB HIS 71 HB3 HIS 71 -4.329 -10.692 -0.084 501 HD1 HIS 71 HD1 HIS 71 -1.909 -8.360 1.272 502 HD2 HIS 71 HD2 HIS 71 -3.384 -9.321 -2.558 503 HE1 HIS 71 HE1 HIS 71 -1.470 -6.344 -0.207 504 H GLY 72 H GLY 72 -2.116 -12.498 3.450 505 1HA GLY 72 HA2 GLY 72 -2.708 -14.474 4.341 506 2HA GLY 72 HA3 GLY 72 -4.324 -14.275 3.642 507 H HIS 73 H HIS 73 -1.828 -14.304 1.215 508 HA HIS 73 HA HIS 73 -2.680 -16.879 0.201 509 1HB HIS 73 HB2 HIS 73 -1.943 -15.003 -1.238 510 2HB HIS 73 HB3 HIS 73 -0.325 -15.087 -0.529 511 HD1 HIS 73 HD1 HIS 73 1.201 -16.061 -2.340 512 HD2 HIS 73 HD2 HIS 73 -2.546 -17.966 -2.046 513 HE1 HIS 73 HE1 HIS 73 1.198 -17.960 -4.055 514 H GLY 74 H GLY 74 -0.089 -15.655 2.177 515 1HA GLY 74 HA2 GLY 74 1.089 -16.825 3.793 516 2HA GLY 74 HA3 GLY 74 0.738 -18.357 3.032 517 H ARG 75 H ARG 75 1.696 -16.998 0.353 518 HA ARG 75 HA ARG 75 4.587 -16.763 0.931 519 1HB ARG 75 HB2 ARG 75 5.142 -18.363 -0.827 520 2HB ARG 75 HB3 ARG 75 4.167 -19.118 0.430 521 1HG ARG 75 HG2 ARG 75 2.273 -18.202 -1.457 522 2HG ARG 75 HG3 ARG 75 3.621 -18.765 -2.430 523 1HD ARG 75 HD2 ARG 75 2.182 -20.622 -2.163 524 2HD ARG 75 HD3 ARG 75 3.478 -20.953 -1.020 525 HE ARG 75 HE ARG 75 0.698 -19.957 -0.485 526 1HH1 ARG 75 1HH1 ARG 75 -0.131 -20.024 1.561 527 2HH1 ARG 75 2HH1 ARG 75 0.790 -20.733 2.883 528 1HH2 ARG 75 1HH2 ARG 75 3.709 -21.263 1.010 529 2HH2 ARG 75 2HH2 ARG 75 2.918 -21.299 2.586 530 H VAL 76 H VAL 76 5.760 -15.676 -0.653 531 HA VAL 76 HA VAL 76 4.135 -13.938 -2.474 532 HB VAL 76 HB VAL 76 5.904 -12.275 -2.196 533 1HG1 VAL 76 1HG1 VAL 76 5.345 -11.553 0.063 534 2HG1 VAL 76 2HG1 VAL 76 3.908 -12.265 -0.692 535 3HG1 VAL 76 3HG1 VAL 76 4.835 -13.189 0.514 536 1HG2 VAL 76 1HG2 VAL 76 7.619 -12.452 -0.465 537 2HG2 VAL 76 2HG2 VAL 76 7.104 -14.091 -0.047 538 3HG2 VAL 76 3HG2 VAL 76 7.829 -13.754 -1.640 539 H GLU 77 H GLU 77 5.170 -13.477 -4.575 540 HA GLU 77 HA GLU 77 6.386 -15.862 -5.623 541 1HB GLU 77 HB2 GLU 77 4.844 -14.581 -6.930 542 2HB GLU 77 HB3 GLU 77 5.909 -13.149 -6.890 543 1HG GLU 77 HG2 GLU 77 7.616 -14.404 -8.195 544 2HG GLU 77 HG3 GLU 77 6.566 -15.835 -8.186 545 H ARG 78 H ARG 78 8.458 -16.263 -6.326 546 HA ARG 78 HA ARG 78 10.581 -15.022 -4.823 547 1HB ARG 78 HB2 ARG 78 10.407 -17.455 -5.536 548 2HB ARG 78 HB3 ARG 78 10.899 -16.937 -7.156 549 1HG ARG 78 HG2 ARG 78 12.947 -15.869 -6.021 550 2HG ARG 78 HG3 ARG 78 12.458 -16.703 -4.559 551 1HD ARG 78 HD2 ARG 78 13.536 -17.774 -7.158 552 2HD ARG 78 HD3 ARG 78 14.080 -18.139 -5.522 553 HE ARG 78 HE ARG 78 12.394 -19.685 -7.115 554 1HH1 ARG 78 1HH1 ARG 78 11.146 -21.442 -6.345 555 2HH1 ARG 78 2HH1 ARG 78 10.728 -21.506 -4.646 556 1HH2 ARG 78 1HH2 ARG 78 12.348 -18.523 -3.778 557 2HH2 ARG 78 2HH2 ARG 78 11.086 -19.649 -3.306 558 H SER 79 H SER 79 10.000 -12.885 -5.590 559 HA SER 79 HA SER 79 10.365 -11.949 -8.238 560 1HB SER 79 HB2 SER 79 10.534 -10.427 -5.598 561 2HB SER 79 HB3 SER 79 10.174 -9.748 -7.194 562 HG SER 79 HG SER 79 8.593 -11.714 -5.817 Start of MODEL 7 1 H GLY 1 H GLY 1 8.808 -26.295 -2.238 2 1HA GLY 1 HA2 GLY 1 9.533 -27.275 0.043 3 2HA GLY 1 HA3 GLY 1 8.082 -26.260 0.049 4 H VAL 2 H VAL 2 9.040 -29.604 -0.644 5 HA VAL 2 HA VAL 2 6.627 -30.948 -0.316 6 HB VAL 2 HB VAL 2 8.055 -32.977 -0.006 7 1HG1 VAL 2 1HG1 VAL 2 7.341 -32.163 -2.214 8 2HG1 VAL 2 2HG1 VAL 2 8.776 -31.120 -2.313 9 3HG1 VAL 2 3HG1 VAL 2 8.956 -32.884 -2.283 10 1HG2 VAL 2 1HG2 VAL 2 10.419 -31.071 -0.389 11 2HG2 VAL 2 2HG2 VAL 2 10.036 -31.889 1.136 12 3HG2 VAL 2 3HG2 VAL 2 10.455 -32.836 -0.294 13 H THR 3 H THR 3 5.795 -29.716 1.511 14 HA THR 3 HA THR 3 5.964 -31.273 4.035 15 HB THR 3 HB THR 3 5.958 -29.044 5.251 16 HG1 THR 3 HG1 THR 3 6.692 -28.088 2.655 17 1HG2 THR 3 1HG2 THR 3 8.488 -29.472 3.603 18 2HG2 THR 3 2HG2 THR 3 8.340 -28.659 5.169 19 3HG2 THR 3 3HG2 THR 3 8.046 -30.406 5.049 20 H LYS 4 H LYS 4 4.553 -28.214 3.146 21 HA LYS 4 HA LYS 4 1.798 -29.245 2.756 22 1HB LYS 4 HB2 LYS 4 2.608 -27.061 4.742 23 2HB LYS 4 HB3 LYS 4 0.954 -27.374 4.234 24 1HG LYS 4 HG2 LYS 4 2.773 -29.333 5.714 25 2HG LYS 4 HG3 LYS 4 1.543 -28.338 6.463 26 1HD LYS 4 HD2 LYS 4 1.049 -30.565 4.419 27 2HD LYS 4 HD3 LYS 4 0.793 -30.665 6.152 28 1HE LYS 4 HE2 LYS 4 -0.755 -28.858 4.232 29 2HE LYS 4 HE3 LYS 4 -1.338 -30.330 5.006 30 1HZ LYS 4 HZ1 LYS 4 -1.081 -29.283 7.127 31 2HZ LYS 4 HZ2 LYS 4 -0.524 -27.897 6.424 32 3HZ LYS 4 HZ3 LYS 4 -2.068 -28.385 6.157 33 H GLU 5 H GLU 5 3.853 -26.312 3.019 34 HA GLU 5 HA GLU 5 2.580 -25.000 0.745 35 1HB GLU 5 HB2 GLU 5 5.125 -24.393 2.324 36 2HB GLU 5 HB3 GLU 5 4.412 -23.339 1.099 37 1HG GLU 5 HG2 GLU 5 2.990 -24.171 3.674 38 2HG GLU 5 HG3 GLU 5 3.857 -22.656 3.430 39 H ILE 6 H ILE 6 2.869 -26.986 -0.568 40 HA ILE 6 HA ILE 6 5.445 -27.802 -1.567 41 HB ILE 6 HB ILE 6 4.078 -28.974 -3.309 42 1HG1 ILE 6 2HG1 ILE 6 1.619 -28.127 -1.714 43 2HG1 ILE 6 3HG1 ILE 6 2.114 -27.261 -3.171 44 1HG2 ILE 6 1HG2 ILE 6 4.759 -29.987 -1.183 45 2HG2 ILE 6 2HG2 ILE 6 3.270 -29.418 -0.404 46 3HG2 ILE 6 3HG2 ILE 6 3.199 -30.616 -1.712 47 1HD1 ILE 6 1HD1 ILE 6 0.440 -28.907 -3.740 48 2HD1 ILE 6 2HD1 ILE 6 1.987 -29.372 -4.473 49 3HD1 ILE 6 3HD1 ILE 6 1.394 -30.214 -3.023 50 H ARG 7 H ARG 7 6.047 -25.430 -1.792 51 HA ARG 7 HA ARG 7 5.198 -24.001 -4.162 52 1HB ARG 7 HB2 ARG 7 7.495 -23.662 -2.236 53 2HB ARG 7 HB3 ARG 7 7.048 -22.483 -3.483 54 1HG ARG 7 HG2 ARG 7 4.878 -22.095 -2.479 55 2HG ARG 7 HG3 ARG 7 5.130 -23.363 -1.277 56 1HD ARG 7 HD2 ARG 7 6.748 -20.808 -1.519 57 2HD ARG 7 HD3 ARG 7 5.511 -21.146 -0.319 58 HE ARG 7 HE ARG 7 6.861 -22.671 0.793 59 1HH1 ARG 7 1HH1 ARG 7 8.880 -23.226 1.602 60 2HH1 ARG 7 2HH1 ARG 7 10.330 -22.926 0.684 61 1HH2 ARG 7 1HH2 ARG 7 10.193 -21.871 -1.401 62 2HH2 ARG 7 2HH2 ARG 7 8.648 -21.429 -2.053 63 H ILE 8 H ILE 8 5.752 -26.265 -5.337 64 HA ILE 8 HA ILE 8 8.460 -26.521 -6.122 65 HB ILE 8 HB ILE 8 6.232 -27.540 -7.875 66 1HG1 ILE 8 2HG1 ILE 8 5.688 -28.348 -5.661 67 2HG1 ILE 8 3HG1 ILE 8 6.350 -29.642 -6.645 68 1HG2 ILE 8 1HG2 ILE 8 7.900 -29.242 -8.444 69 2HG2 ILE 8 2HG2 ILE 8 8.418 -27.609 -8.880 70 3HG2 ILE 8 3HG2 ILE 8 9.108 -28.397 -7.452 71 1HD1 ILE 8 1HD1 ILE 8 8.536 -29.439 -5.479 72 2HD1 ILE 8 2HD1 ILE 8 7.876 -28.125 -4.478 73 3HD1 ILE 8 3HD1 ILE 8 7.205 -29.755 -4.358 74 HA PRO 9 HA PRO 9 7.395 -23.620 -9.792 75 1HB PRO 9 HB2 PRO 9 5.045 -22.132 -8.685 76 2HB PRO 9 HB3 PRO 9 5.275 -22.772 -10.335 77 1HG PRO 9 HG2 PRO 9 3.536 -23.974 -8.592 78 2HG PRO 9 HG3 PRO 9 4.595 -24.966 -9.646 79 1HD PRO 9 HD2 PRO 9 5.145 -24.159 -6.763 80 2HD PRO 9 HD3 PRO 9 5.186 -25.788 -7.466 81 H THR 10 H THR 10 7.517 -21.108 -9.877 82 HA THR 10 HA THR 10 9.414 -20.100 -8.177 83 HB THR 10 HB THR 10 7.453 -18.546 -9.918 84 HG1 THR 10 HG1 THR 10 8.735 -19.292 -11.661 85 1HG2 THR 10 1HG2 THR 10 9.175 -17.108 -9.010 86 2HG2 THR 10 2HG2 THR 10 10.452 -18.282 -9.429 87 3HG2 THR 10 3HG2 THR 10 9.561 -17.417 -10.699 88 H LEU 11 H LEU 11 7.895 -20.704 -6.052 89 HA LEU 11 HA LEU 11 6.740 -18.110 -5.112 90 1HB LEU 11 HB2 LEU 11 5.653 -20.880 -4.609 91 2HB LEU 11 HB3 LEU 11 5.004 -19.382 -3.927 92 HG LEU 11 HG LEU 11 4.996 -20.185 -6.882 93 1HD1 LEU 11 1HD1 LEU 11 2.605 -20.442 -6.583 94 2HD1 LEU 11 2HD1 LEU 11 3.444 -21.468 -5.399 95 3HD1 LEU 11 3HD1 LEU 11 2.721 -19.916 -4.895 96 1HD2 LEU 11 1HD2 LEU 11 4.974 -17.784 -6.892 97 2HD2 LEU 11 2HD2 LEU 11 3.298 -18.264 -7.036 98 3HD2 LEU 11 3HD2 LEU 11 3.908 -17.708 -5.465 99 H GLU 12 H GLU 12 7.068 -17.610 -2.932 100 HA GLU 12 HA GLU 12 8.869 -19.386 -1.344 101 1HB GLU 12 HB2 GLU 12 8.921 -16.369 -1.646 102 2HB GLU 12 HB3 GLU 12 9.720 -17.233 -0.323 103 1HG GLU 12 HG2 GLU 12 10.248 -17.748 -3.266 104 2HG GLU 12 HG3 GLU 12 11.273 -16.747 -2.222 105 H GLU 13 H GLU 13 8.433 -19.616 0.804 106 HA GLU 13 HA GLU 13 5.707 -19.384 1.559 107 1HB GLU 13 HB2 GLU 13 7.337 -21.075 2.433 108 2HB GLU 13 HB3 GLU 13 8.133 -19.791 3.363 109 1HG GLU 13 HG2 GLU 13 6.007 -19.384 4.597 110 2HG GLU 13 HG3 GLU 13 5.204 -20.618 3.612 111 H CYS 14 H CYS 14 4.617 -17.844 2.726 112 HA CYS 14 HA CYS 14 5.873 -15.218 3.071 113 1HB CYS 14 HB2 CYS 14 3.540 -15.503 2.267 114 2HB CYS 14 HB3 CYS 14 3.132 -16.210 3.824 115 H ASP 15 H ASP 15 7.488 -15.732 4.541 116 HA ASP 15 HA ASP 15 7.453 -17.081 6.937 117 1HB ASP 15 HB2 ASP 15 9.349 -15.781 7.599 118 2HB ASP 15 HB3 ASP 15 9.453 -16.018 5.852 119 H VAL 16 H VAL 16 6.281 -13.813 6.317 120 HA VAL 16 HA VAL 16 5.790 -12.807 8.849 121 HB VAL 16 HB VAL 16 4.043 -12.574 6.362 122 1HG1 VAL 16 1HG1 VAL 16 3.330 -10.402 7.351 123 2HG1 VAL 16 2HG1 VAL 16 2.767 -11.810 8.248 124 3HG1 VAL 16 3HG1 VAL 16 4.146 -10.861 8.863 125 1HG2 VAL 16 1HG2 VAL 16 6.305 -11.806 5.856 126 2HG2 VAL 16 2HG2 VAL 16 5.261 -10.400 6.061 127 3HG2 VAL 16 3HG2 VAL 16 6.362 -10.871 7.367 128 H CYS 17 H CYS 17 3.756 -15.180 7.028 129 HA CYS 17 HA CYS 17 2.082 -15.508 9.493 130 1HB CYS 17 HB2 CYS 17 0.449 -16.560 7.983 131 2HB CYS 17 HB3 CYS 17 0.742 -14.852 7.661 132 H HIS 18 H HIS 18 4.823 -16.707 8.544 133 HA HIS 18 HA HIS 18 5.910 -18.666 8.726 134 1HB HIS 18 HB2 HIS 18 3.754 -19.604 10.605 135 2HB HIS 18 HB3 HIS 18 5.507 -19.772 10.752 136 HD1 HIS 18 HD1 HIS 18 6.022 -16.482 10.469 137 HD2 HIS 18 HD2 HIS 18 3.115 -18.432 12.806 138 HE1 HIS 18 HE1 HIS 18 5.299 -14.832 12.265 139 H GLY 19 H GLY 19 3.990 -18.512 6.564 140 1HA GLY 19 HA2 GLY 19 3.167 -19.875 4.924 141 2HA GLY 19 HA3 GLY 19 3.880 -21.264 5.751 142 H SER 20 H SER 20 1.752 -19.714 7.940 143 HA SER 20 HA SER 20 -0.193 -21.896 7.608 144 1HB SER 20 HB2 SER 20 -1.145 -21.114 9.637 145 2HB SER 20 HB3 SER 20 0.609 -21.099 9.861 146 HG SER 20 HG SER 20 0.574 -18.857 9.611 147 H GLY 21 H GLY 21 0.084 -18.539 6.797 148 1HA GLY 21 HA2 GLY 21 -1.325 -17.344 5.305 149 2HA GLY 21 HA3 GLY 21 -2.645 -18.470 5.623 150 H ALA 22 H ALA 22 -1.522 -18.014 8.700 151 HA ALA 22 HA ALA 22 -3.440 -15.811 9.208 152 1HB ALA 22 HB1 ALA 22 -2.113 -17.784 11.109 153 2HB ALA 22 HB2 ALA 22 -3.422 -16.649 11.499 154 3HB ALA 22 HB3 ALA 22 -3.722 -18.008 10.400 155 H LYS 23 H LYS 23 -2.892 -13.921 10.178 156 HA LYS 23 HA LYS 23 -0.356 -12.871 9.862 157 1HB LYS 23 HB2 LYS 23 -1.155 -11.051 11.391 158 2HB LYS 23 HB3 LYS 23 -2.260 -11.444 10.085 159 1HG LYS 23 HG2 LYS 23 -3.804 -12.498 11.502 160 2HG LYS 23 HG3 LYS 23 -2.624 -12.766 12.773 161 1HD LYS 23 HD2 LYS 23 -3.844 -10.089 11.982 162 2HD LYS 23 HD3 LYS 23 -4.220 -11.054 13.411 163 1HE LYS 23 HE2 LYS 23 -1.684 -9.475 12.872 164 2HE LYS 23 HE3 LYS 23 -2.831 -9.334 14.201 165 1HZ LYS 23 HZ1 LYS 23 -0.958 -11.542 13.739 166 2HZ LYS 23 HZ2 LYS 23 -0.918 -10.442 14.961 167 3HZ LYS 23 HZ3 LYS 23 -2.121 -11.572 14.891 168 HA PRO 24 HA PRO 24 2.725 -14.020 12.611 169 1HB PRO 24 HB2 PRO 24 2.241 -11.389 14.035 170 2HB PRO 24 HB3 PRO 24 3.803 -12.250 13.833 171 1HG PRO 24 HG2 PRO 24 3.084 -10.365 12.019 172 2HG PRO 24 HG3 PRO 24 3.763 -11.917 11.462 173 1HD PRO 24 HD2 PRO 24 0.951 -10.964 11.390 174 2HD PRO 24 HD3 PRO 24 1.770 -12.102 10.288 175 H GLY 25 H GLY 25 2.652 -15.600 14.007 176 1HA GLY 25 HA2 GLY 25 2.056 -17.005 15.660 177 2HA GLY 25 HA3 GLY 25 2.103 -15.568 16.686 178 H THR 26 H THR 26 -0.432 -15.556 14.239 179 HA THR 26 HA THR 26 -2.428 -15.884 16.414 180 HB THR 26 HB THR 26 -2.737 -14.980 13.540 181 HG1 THR 26 HG1 THR 26 -1.301 -13.709 14.967 182 1HG2 THR 26 1HG2 THR 26 -4.533 -14.641 15.980 183 2HG2 THR 26 2HG2 THR 26 -4.799 -13.915 14.385 184 3HG2 THR 26 3HG2 THR 26 -4.869 -15.674 14.567 185 H GLN 27 H GLN 27 -3.302 -17.794 16.757 186 HA GLN 27 HA GLN 27 -2.772 -20.055 15.254 187 1HB GLN 27 HB2 GLN 27 -4.266 -21.238 16.628 188 2HB GLN 27 HB3 GLN 27 -3.388 -20.062 17.601 189 1HG GLN 27 HG2 GLN 27 -6.303 -19.872 16.705 190 2HG GLN 27 HG3 GLN 27 -5.700 -20.277 18.305 191 1HE2 GLN 27 1HE2 GLN 27 -5.851 -16.343 17.147 192 2HE2 GLN 27 2HE2 GLN 27 -6.005 -17.641 15.955 193 HA PRO 28 HA PRO 28 -5.789 -19.424 11.912 194 1HB PRO 28 HB2 PRO 28 -5.332 -22.292 11.247 195 2HB PRO 28 HB3 PRO 28 -5.124 -20.839 10.215 196 1HG PRO 28 HG2 PRO 28 -2.968 -22.212 11.176 197 2HG PRO 28 HG3 PRO 28 -2.977 -20.421 11.117 198 1HD PRO 28 HD2 PRO 28 -3.640 -22.188 13.495 199 2HD PRO 28 HD3 PRO 28 -2.487 -20.819 13.351 200 H GLN 29 H GLN 29 -7.630 -21.010 10.930 201 HA GLN 29 HA GLN 29 -9.196 -22.252 13.162 202 1HB GLN 29 HB2 GLN 29 -10.080 -20.431 10.869 203 2HB GLN 29 HB3 GLN 29 -11.170 -21.480 11.779 204 1HG GLN 29 HG2 GLN 29 -11.407 -19.365 12.743 205 2HG GLN 29 HG3 GLN 29 -10.478 -20.311 13.902 206 1HE2 GLN 29 1HE2 GLN 29 -7.628 -18.161 13.790 207 2HE2 GLN 29 2HE2 GLN 29 -8.286 -19.670 14.346 208 H THR 30 H THR 30 -9.416 -24.440 12.745 209 HA THR 30 HA THR 30 -8.491 -25.809 10.597 210 HB THR 30 HB THR 30 -11.021 -26.573 12.121 211 HG1 THR 30 HG1 THR 30 -9.564 -27.123 13.831 212 1HG2 THR 30 1HG2 THR 30 -8.527 -28.139 11.316 213 2HG2 THR 30 2HG2 THR 30 -9.942 -28.798 12.166 214 3HG2 THR 30 3HG2 THR 30 -10.111 -28.210 10.503 215 H CYS 31 H CYS 31 -9.142 -26.017 8.408 216 HA CYS 31 HA CYS 31 -11.514 -24.688 7.495 217 1HB CYS 31 HB2 CYS 31 -9.517 -25.081 6.063 218 2HB CYS 31 HB3 CYS 31 -9.854 -26.810 6.117 219 HA PRO 32 HA PRO 32 -14.014 -28.247 8.802 220 1HB PRO 32 HB2 PRO 32 -16.519 -27.365 8.210 221 2HB PRO 32 HB3 PRO 32 -15.544 -26.727 9.570 222 1HG PRO 32 HG2 PRO 32 -15.851 -25.504 6.813 223 2HG PRO 32 HG3 PRO 32 -16.040 -24.700 8.395 224 1HD PRO 32 HD2 PRO 32 -13.711 -24.595 6.986 225 2HD PRO 32 HD3 PRO 32 -13.714 -24.682 8.772 226 H THR 33 H THR 33 -14.400 -26.689 5.578 227 HA THR 33 HA THR 33 -15.785 -28.514 4.163 228 HB THR 33 HB THR 33 -13.317 -27.200 3.009 229 HG1 THR 33 HG1 THR 33 -15.661 -25.808 3.777 230 1HG2 THR 33 1HG2 THR 33 -14.855 -26.605 1.191 231 2HG2 THR 33 2HG2 THR 33 -14.909 -28.355 1.479 232 3HG2 THR 33 3HG2 THR 33 -16.222 -27.319 2.070 233 H CYS 34 H CYS 34 -12.326 -28.760 5.002 234 HA CYS 34 HA CYS 34 -12.259 -31.540 3.855 235 1HB CYS 34 HB2 CYS 34 -9.833 -31.185 3.626 236 2HB CYS 34 HB3 CYS 34 -10.781 -30.213 2.535 237 H HIS 35 H HIS 35 -13.035 -30.420 6.606 238 HA HIS 35 HA HIS 35 -12.623 -30.817 8.813 239 1HB HIS 35 HB2 HIS 35 -11.774 -33.530 7.733 240 2HB HIS 35 HB3 HIS 35 -12.365 -33.179 9.358 241 HD1 HIS 35 HD1 HIS 35 -14.745 -31.285 7.443 242 HD2 HIS 35 HD2 HIS 35 -13.905 -35.383 7.956 243 HE1 HIS 35 HE1 HIS 35 -16.854 -32.550 6.807 244 H GLY 36 H GLY 36 -10.516 -29.386 7.789 245 1HA GLY 36 HA2 GLY 36 -8.473 -28.658 8.502 246 2HA GLY 36 HA3 GLY 36 -8.454 -29.945 9.708 247 H SER 37 H SER 37 -8.765 -31.649 6.826 248 HA SER 37 HA SER 37 -6.037 -32.536 7.031 249 1HB SER 37 HB2 SER 37 -6.549 -33.918 5.088 250 2HB SER 37 HB3 SER 37 -7.854 -34.018 6.281 251 HG SER 37 HG SER 37 -9.148 -32.844 4.981 252 H GLY 38 H GLY 38 -7.740 -30.939 4.445 253 1HA GLY 38 HA2 GLY 38 -6.663 -28.878 3.357 254 2HA GLY 38 HA3 GLY 38 -5.211 -29.877 3.214 255 H GLN 39 H GLN 39 -7.940 -31.935 2.856 256 HA GLN 39 HA GLN 39 -8.156 -31.425 -0.040 257 1HB GLN 39 HB2 GLN 39 -7.848 -33.837 -0.511 258 2HB GLN 39 HB3 GLN 39 -6.410 -32.990 0.048 259 1HG GLN 39 HG2 GLN 39 -6.098 -34.698 1.426 260 2HG GLN 39 HG3 GLN 39 -7.345 -34.012 2.451 261 1HE2 GLN 39 1HE2 GLN 39 -9.794 -36.513 1.497 262 2HE2 GLN 39 2HE2 GLN 39 -9.663 -34.818 1.989 263 H VAL 40 H VAL 40 -10.108 -31.647 -0.820 264 HA VAL 40 HA VAL 40 -12.349 -32.312 1.010 265 HB VAL 40 HB VAL 40 -13.733 -31.528 -0.942 266 1HG1 VAL 40 1HG1 VAL 40 -11.705 -29.519 0.070 267 2HG1 VAL 40 2HG1 VAL 40 -13.284 -29.157 -0.663 268 3HG1 VAL 40 3HG1 VAL 40 -13.200 -30.012 0.898 269 1HG2 VAL 40 1HG2 VAL 40 -12.756 -30.329 -2.782 270 2HG2 VAL 40 2HG2 VAL 40 -11.118 -30.511 -2.145 271 3HG2 VAL 40 3HG2 VAL 40 -12.009 -31.936 -2.731 272 H GLN 41 H GLN 41 -14.012 -33.784 0.270 273 HA GLN 41 HA GLN 41 -13.137 -35.825 -1.697 274 1HB GLN 41 HB2 GLN 41 -12.900 -36.639 0.633 275 2HB GLN 41 HB3 GLN 41 -14.632 -36.372 0.880 276 1HG GLN 41 HG2 GLN 41 -15.146 -37.978 -0.953 277 2HG GLN 41 HG3 GLN 41 -13.443 -38.251 -1.254 278 1HE2 GLN 41 1HE2 GLN 41 -13.014 -40.001 1.969 279 2HE2 GLN 41 2HE2 GLN 41 -12.164 -38.780 1.043 280 H MET 42 H MET 42 -14.417 -35.619 -3.397 281 HA MET 42 HA MET 42 -17.069 -34.378 -3.259 282 1HB MET 42 HB2 MET 42 -15.535 -35.751 -5.502 283 2HB MET 42 HB3 MET 42 -17.060 -34.890 -5.728 284 1HG MET 42 HG2 MET 42 -14.738 -33.394 -4.500 285 2HG MET 42 HG3 MET 42 -14.690 -33.804 -6.208 286 1HE MET 42 HE1 MET 42 -17.836 -30.915 -4.467 287 2HE MET 42 HE2 MET 42 -16.692 -31.841 -3.468 288 3HE MET 42 HE3 MET 42 -18.056 -32.662 -4.283 289 H ARG 43 H ARG 43 -17.708 -35.983 -1.607 290 HA ARG 43 HA ARG 43 -18.036 -38.756 -2.203 291 1HB ARG 43 HB2 ARG 43 -17.846 -37.702 0.048 292 2HB ARG 43 HB3 ARG 43 -19.520 -37.145 -0.115 293 1HG ARG 43 HG2 ARG 43 -20.267 -39.518 -0.324 294 2HG ARG 43 HG3 ARG 43 -18.577 -40.057 -0.256 295 1HD ARG 43 HD2 ARG 43 -18.344 -39.151 2.005 296 2HD ARG 43 HD3 ARG 43 -20.015 -38.527 1.946 297 HE ARG 43 HE ARG 43 -20.075 -41.299 1.367 298 1HH1 ARG 43 1HH1 ARG 43 -19.359 -39.159 4.076 299 2HH1 ARG 43 2HH1 ARG 43 -19.845 -40.298 5.303 300 1HH2 ARG 43 1HH2 ARG 43 -20.714 -42.810 2.945 301 2HH2 ARG 43 2HH2 ARG 43 -20.630 -42.422 4.642 302 H GLN 44 H GLN 44 -18.949 -38.160 -4.458 303 HA GLN 44 HA GLN 44 -21.796 -37.554 -4.599 304 1HB GLN 44 HB2 GLN 44 -21.501 -37.927 -6.990 305 2HB GLN 44 HB3 GLN 44 -20.330 -36.786 -6.343 306 1HG GLN 44 HG2 GLN 44 -18.550 -38.038 -6.938 307 2HG GLN 44 HG3 GLN 44 -19.238 -39.525 -6.290 308 1HE2 GLN 44 1HE2 GLN 44 -21.006 -40.348 -9.373 309 2HE2 GLN 44 2HE2 GLN 44 -21.299 -40.259 -7.630 310 H GLY 45 H GLY 45 -21.926 -39.424 -2.876 311 1HA GLY 45 HA2 GLY 45 -23.065 -41.346 -2.391 312 2HA GLY 45 HA3 GLY 45 -23.433 -41.551 -4.107 313 H PHE 46 H PHE 46 -21.346 -42.182 -5.428 314 HA PHE 46 HA PHE 46 -20.129 -44.539 -4.021 315 1HB PHE 46 HB2 PHE 46 -21.740 -45.046 -5.804 316 2HB PHE 46 HB3 PHE 46 -20.738 -44.198 -6.972 317 HD1 PHE 46 HD1 PHE 46 -20.821 -47.075 -4.575 318 HD2 PHE 46 HD2 PHE 46 -18.816 -45.297 -7.955 319 HE1 PHE 46 HE1 PHE 46 -19.491 -49.144 -4.883 320 HE2 PHE 46 HE2 PHE 46 -17.489 -47.363 -8.254 321 HZ PHE 46 HZ PHE 46 -17.823 -49.294 -6.722 322 H PHE 47 H PHE 47 -19.251 -42.516 -6.902 323 HA PHE 47 HA PHE 47 -16.454 -43.116 -6.521 324 1HB PHE 47 HB2 PHE 47 -17.743 -41.039 -8.317 325 2HB PHE 47 HB3 PHE 47 -16.092 -41.612 -8.402 326 HD1 PHE 47 HD1 PHE 47 -19.475 -42.192 -9.518 327 HD2 PHE 47 HD2 PHE 47 -15.654 -44.099 -8.901 328 HE1 PHE 47 HE1 PHE 47 -20.147 -44.034 -11.031 329 HE2 PHE 47 HE2 PHE 47 -16.317 -45.913 -10.456 330 HZ PHE 47 HZ PHE 47 -18.572 -45.898 -11.504 331 H ALA 48 H ALA 48 -16.583 -42.365 -4.198 332 HA ALA 48 HA ALA 48 -16.599 -39.544 -3.634 333 1HB ALA 48 HB1 ALA 48 -15.643 -41.879 -1.929 334 2HB ALA 48 HB2 ALA 48 -16.075 -40.250 -1.366 335 3HB ALA 48 HB3 ALA 48 -17.322 -41.310 -2.043 336 H VAL 49 H VAL 49 -14.979 -39.227 -5.485 337 HA VAL 49 HA VAL 49 -12.189 -39.757 -4.848 338 HB VAL 49 HB VAL 49 -11.694 -38.419 -6.870 339 1HG1 VAL 49 1HG1 VAL 49 -12.113 -40.819 -6.836 340 2HG1 VAL 49 2HG1 VAL 49 -13.847 -40.551 -7.099 341 3HG1 VAL 49 3HG1 VAL 49 -12.675 -40.102 -8.369 342 1HG2 VAL 49 1HG2 VAL 49 -14.726 -38.120 -7.165 343 2HG2 VAL 49 2HG2 VAL 49 -13.591 -36.805 -6.795 344 3HG2 VAL 49 3HG2 VAL 49 -13.487 -37.662 -8.341 345 H GLN 50 H GLN 50 -10.512 -38.100 -4.757 346 HA GLN 50 HA GLN 50 -11.382 -35.889 -2.988 347 1HB GLN 50 HB2 GLN 50 -8.961 -37.721 -2.860 348 2HB GLN 50 HB3 GLN 50 -9.213 -36.306 -1.799 349 1HG GLN 50 HG2 GLN 50 -11.427 -37.271 -1.149 350 2HG GLN 50 HG3 GLN 50 -11.023 -38.773 -2.002 351 1HE2 GLN 50 1HE2 GLN 50 -8.338 -39.442 0.477 352 2HE2 GLN 50 2HE2 GLN 50 -8.446 -39.331 -1.269 353 H GLN 51 H GLN 51 -10.181 -33.981 -2.887 354 HA GLN 51 HA GLN 51 -8.287 -33.410 -5.103 355 1HB GLN 51 HB2 GLN 51 -10.625 -31.579 -4.536 356 2HB GLN 51 HB3 GLN 51 -9.541 -31.540 -5.913 357 1HG GLN 51 HG2 GLN 51 -10.631 -33.454 -6.927 358 2HG GLN 51 HG3 GLN 51 -11.602 -33.762 -5.477 359 1HE2 GLN 51 1HE2 GLN 51 -13.737 -30.868 -5.868 360 2HE2 GLN 51 2HE2 GLN 51 -12.774 -31.648 -4.636 361 H THR 52 H THR 52 -7.041 -31.404 -4.608 362 HA THR 52 HA THR 52 -6.582 -30.882 -1.848 363 HB THR 52 HB THR 52 -6.080 -29.086 -4.271 364 HG1 THR 52 HG1 THR 52 -4.511 -31.175 -3.165 365 1HG2 THR 52 1HG2 THR 52 -5.686 -27.914 -2.143 366 2HG2 THR 52 2HG2 THR 52 -4.705 -29.278 -1.555 367 3HG2 THR 52 3HG2 THR 52 -4.142 -28.292 -2.922 368 H CYS 53 H CYS 53 -7.503 -29.262 -0.470 369 HA CYS 53 HA CYS 53 -10.082 -28.235 -1.285 370 1HB CYS 53 HB2 CYS 53 -9.549 -28.938 1.025 371 2HB CYS 53 HB3 CYS 53 -8.452 -27.566 1.167 372 HA PRO 54 HA PRO 54 -7.954 -24.622 -3.059 373 1HB PRO 54 HB2 PRO 54 -10.071 -23.323 -4.180 374 2HB PRO 54 HB3 PRO 54 -9.388 -24.826 -4.861 375 1HG PRO 54 HG2 PRO 54 -11.818 -24.557 -3.072 376 2HG PRO 54 HG3 PRO 54 -11.668 -25.479 -4.591 377 1HD PRO 54 HD2 PRO 54 -11.390 -26.657 -2.149 378 2HD PRO 54 HD3 PRO 54 -10.426 -27.179 -3.560 379 H HIS 55 H HIS 55 -10.906 -24.400 -1.067 380 HA HIS 55 HA HIS 55 -10.973 -21.744 -0.443 381 1HB HIS 55 HB2 HIS 55 -12.616 -23.552 0.167 382 2HB HIS 55 HB3 HIS 55 -11.576 -23.971 1.537 383 HD1 HIS 55 HD1 HIS 55 -11.240 -20.444 1.661 384 HD2 HIS 55 HD2 HIS 55 -14.390 -23.149 2.364 385 HE1 HIS 55 HE1 HIS 55 -12.962 -19.215 3.106 386 H CYS 56 H CYS 56 -8.857 -24.161 1.059 387 HA CYS 56 HA CYS 56 -7.437 -22.001 2.599 388 1HB CYS 56 HB2 CYS 56 -6.722 -23.797 4.121 389 2HB CYS 56 HB3 CYS 56 -8.452 -23.481 4.172 390 H GLN 57 H GLN 57 -7.114 -23.043 -0.273 391 HA GLN 57 HA GLN 57 -5.492 -23.767 -1.673 392 1HB GLN 57 HB2 GLN 57 -3.799 -21.980 0.113 393 2HB GLN 57 HB3 GLN 57 -3.515 -22.380 -1.579 394 1HG GLN 57 HG2 GLN 57 -4.409 -20.202 -1.576 395 2HG GLN 57 HG3 GLN 57 -5.708 -21.248 -2.154 396 1HE2 GLN 57 1HE2 GLN 57 -7.930 -20.190 0.421 397 2HE2 GLN 57 2HE2 GLN 57 -7.699 -21.002 -1.115 398 H GLY 58 H GLY 58 -5.898 -25.842 -0.090 399 1HA GLY 58 HA2 GLY 58 -4.991 -27.856 0.427 400 2HA GLY 58 HA3 GLY 58 -3.449 -27.306 -0.235 401 H ARG 59 H ARG 59 -4.089 -25.114 2.273 402 HA ARG 59 HA ARG 59 -2.098 -26.387 3.951 403 1HB ARG 59 HB2 ARG 59 -3.917 -24.014 4.506 404 2HB ARG 59 HB3 ARG 59 -2.488 -24.493 5.437 405 1HG ARG 59 HG2 ARG 59 -1.108 -24.204 3.348 406 2HG ARG 59 HG3 ARG 59 -2.526 -23.492 2.561 407 1HD ARG 59 HD2 ARG 59 -1.104 -22.503 5.066 408 2HD ARG 59 HD3 ARG 59 -1.109 -21.697 3.505 409 HE ARG 59 HE ARG 59 -3.040 -21.475 5.604 410 1HH1 ARG 59 1HH1 ARG 59 -5.355 -21.057 5.159 411 2HH1 ARG 59 2HH1 ARG 59 -5.693 -20.258 3.635 412 1HH2 ARG 59 1HH2 ARG 59 -2.623 -21.034 2.151 413 2HH2 ARG 59 2HH2 ARG 59 -4.271 -20.506 1.877 414 H GLY 60 H GLY 60 -5.586 -26.202 3.970 415 1HA GLY 60 HA2 GLY 60 -7.100 -27.594 5.190 416 2HA GLY 60 HA3 GLY 60 -5.784 -28.114 6.239 417 H THR 61 H THR 61 -5.309 -24.849 6.145 418 HA THR 61 HA THR 61 -7.004 -24.319 8.542 419 HB THR 61 HB THR 61 -5.128 -22.696 8.950 420 HG1 THR 61 HG1 THR 61 -4.269 -22.754 6.841 421 1HG2 THR 61 1HG2 THR 61 -3.589 -24.404 9.868 422 2HG2 THR 61 2HG2 THR 61 -5.278 -24.842 10.189 423 3HG2 THR 61 3HG2 THR 61 -4.375 -25.660 8.890 424 H LEU 62 H LEU 62 -8.466 -22.812 8.310 425 HA LEU 62 HA LEU 62 -8.274 -20.693 6.206 426 1HB LEU 62 HB2 LEU 62 -10.480 -21.491 8.182 427 2HB LEU 62 HB3 LEU 62 -10.563 -20.083 7.124 428 HG LEU 62 HG LEU 62 -10.486 -22.965 6.195 429 1HD1 LEU 62 1HD1 LEU 62 -12.608 -22.243 7.272 430 2HD1 LEU 62 2HD1 LEU 62 -12.661 -20.809 6.231 431 3HD1 LEU 62 3HD1 LEU 62 -12.837 -22.432 5.521 432 1HD2 LEU 62 1HD2 LEU 62 -9.383 -21.457 4.541 433 2HD2 LEU 62 2HD2 LEU 62 -10.947 -22.026 3.976 434 3HD2 LEU 62 3HD2 LEU 62 -10.780 -20.367 4.618 435 H ILE 63 H ILE 63 -8.956 -18.500 7.135 436 HA ILE 63 HA ILE 63 -8.189 -18.074 9.921 437 HB ILE 63 HB ILE 63 -6.927 -16.280 7.866 438 1HG1 ILE 63 2HG1 ILE 63 -4.743 -17.508 8.369 439 2HG1 ILE 63 3HG1 ILE 63 -5.698 -18.928 8.709 440 1HG2 ILE 63 1HG2 ILE 63 -6.126 -17.125 10.685 441 2HG2 ILE 63 2HG2 ILE 63 -5.513 -15.736 9.767 442 3HG2 ILE 63 3HG2 ILE 63 -7.181 -15.751 10.319 443 1HD1 ILE 63 1HD1 ILE 63 -6.592 -18.718 6.294 444 2HD1 ILE 63 2HD1 ILE 63 -5.536 -17.309 6.109 445 3HD1 ILE 63 3HD1 ILE 63 -4.843 -18.913 6.408 446 H LYS 64 H LYS 64 -9.747 -16.657 10.695 447 HA LYS 64 HA LYS 64 -11.671 -15.537 8.859 448 1HB LYS 64 HB2 LYS 64 -11.065 -14.941 11.791 449 2HB LYS 64 HB3 LYS 64 -12.462 -14.291 10.910 450 1HG LYS 64 HG2 LYS 64 -13.238 -16.591 10.411 451 2HG LYS 64 HG3 LYS 64 -11.901 -17.265 11.344 452 1HD LYS 64 HD2 LYS 64 -14.108 -15.456 12.438 453 2HD LYS 64 HD3 LYS 64 -14.024 -17.216 12.610 454 1HE LYS 64 HE2 LYS 64 -11.823 -16.941 13.831 455 2HE LYS 64 HE3 LYS 64 -12.070 -15.185 13.790 456 1HZ LYS 64 HZ1 LYS 64 -12.817 -16.123 15.826 457 2HZ LYS 64 HZ2 LYS 64 -14.095 -15.494 14.998 458 3HZ LYS 64 HZ3 LYS 64 -13.868 -17.126 15.049 459 H ASP 65 H ASP 65 -8.791 -14.389 10.548 460 HA ASP 65 HA ASP 65 -8.743 -11.758 9.150 461 1HB ASP 65 HB2 ASP 65 -7.232 -11.088 10.935 462 2HB ASP 65 HB3 ASP 65 -8.803 -11.591 11.566 463 HA PRO 66 HA PRO 66 -5.582 -14.642 7.283 464 1HB PRO 66 HB2 PRO 66 -5.866 -13.927 4.635 465 2HB PRO 66 HB3 PRO 66 -6.958 -15.080 5.464 466 1HG PRO 66 HG2 PRO 66 -7.355 -12.097 5.044 467 2HG PRO 66 HG3 PRO 66 -8.499 -13.417 4.643 468 1HD PRO 66 HD2 PRO 66 -8.737 -12.057 6.950 469 2HD PRO 66 HD3 PRO 66 -8.940 -13.835 6.930 470 H CYS 67 H CYS 67 -3.549 -14.300 6.331 471 HA CYS 67 HA CYS 67 -2.279 -11.784 6.935 472 1HB CYS 67 HB2 CYS 67 -1.168 -13.935 7.142 473 2HB CYS 67 HB3 CYS 67 -1.331 -14.227 5.411 474 H ASN 68 H ASN 68 -3.527 -10.343 5.726 475 HA ASN 68 HA ASN 68 -4.251 -10.114 3.158 476 1HB ASN 68 HB2 ASN 68 -4.014 -7.727 3.295 477 2HB ASN 68 HB3 ASN 68 -4.571 -8.357 4.849 478 1HD2 ASN 68 1HD2 ASN 68 -1.794 -5.776 5.276 479 2HD2 ASN 68 2HD2 ASN 68 -3.269 -5.759 4.327 480 H LYS 69 H LYS 69 -0.907 -9.469 4.215 481 HA LYS 69 HA LYS 69 0.407 -8.618 2.000 482 1HB LYS 69 HB2 LYS 69 1.417 -9.070 4.193 483 2HB LYS 69 HB3 LYS 69 1.380 -10.810 3.850 484 1HG LYS 69 HG2 LYS 69 2.883 -10.481 1.912 485 2HG LYS 69 HG3 LYS 69 2.860 -8.727 2.185 486 1HD LYS 69 HD2 LYS 69 3.966 -9.023 4.360 487 2HD LYS 69 HD3 LYS 69 3.812 -10.784 4.226 488 1HE LYS 69 HE2 LYS 69 6.105 -10.089 3.680 489 2HE LYS 69 HE3 LYS 69 5.318 -10.811 2.269 490 1HZ LYS 69 HZ1 LYS 69 5.606 -7.930 2.779 491 2HZ LYS 69 HZ2 LYS 69 6.516 -8.819 1.733 492 3HZ LYS 69 HZ3 LYS 69 4.909 -8.608 1.449 493 H CYS 70 H CYS 70 -0.694 -11.980 2.523 494 HA CYS 70 HA CYS 70 0.012 -12.647 -0.325 495 1HB CYS 70 HB2 CYS 70 0.600 -14.867 0.447 496 2HB CYS 70 HB3 CYS 70 1.596 -13.673 1.282 497 H HIS 71 H HIS 71 -2.545 -11.673 1.055 498 HA HIS 71 HA HIS 71 -4.742 -12.221 1.244 499 1HB HIS 71 HB2 HIS 71 -4.217 -12.282 -1.251 500 2HB HIS 71 HB3 HIS 71 -4.221 -14.040 -1.137 501 HD1 HIS 71 HD1 HIS 71 -6.795 -14.695 0.352 502 HD2 HIS 71 HD2 HIS 71 -6.419 -11.470 -2.319 503 HE1 HIS 71 HE1 HIS 71 -9.173 -14.116 -0.449 504 H GLY 72 H GLY 72 -2.999 -13.719 2.922 505 1HA GLY 72 HA2 GLY 72 -2.920 -15.522 4.288 506 2HA GLY 72 HA3 GLY 72 -4.654 -15.718 4.008 507 H HIS 73 H HIS 73 -2.452 -16.066 1.229 508 HA HIS 73 HA HIS 73 -3.293 -18.819 0.882 509 1HB HIS 73 HB2 HIS 73 -1.309 -17.065 -0.594 510 2HB HIS 73 HB3 HIS 73 -1.679 -18.736 -1.025 511 HD1 HIS 73 HD1 HIS 73 -4.645 -16.585 0.069 512 HD2 HIS 73 HD2 HIS 73 -2.693 -18.000 -3.385 513 HE1 HIS 73 HE1 HIS 73 -6.280 -16.305 -1.865 514 H GLY 74 H GLY 74 -0.588 -17.219 2.311 515 1HA GLY 74 HA2 GLY 74 0.870 -18.203 3.899 516 2HA GLY 74 HA3 GLY 74 0.596 -19.798 3.208 517 H ARG 75 H ARG 75 0.998 -17.977 0.489 518 HA ARG 75 HA ARG 75 3.958 -17.997 0.522 519 1HB ARG 75 HB2 ARG 75 4.017 -19.357 -1.476 520 2HB ARG 75 HB3 ARG 75 3.104 -20.208 -0.225 521 1HG ARG 75 HG2 ARG 75 1.043 -18.895 -1.509 522 2HG ARG 75 HG3 ARG 75 2.200 -19.045 -2.824 523 1HD ARG 75 HD2 ARG 75 0.821 -20.958 -2.953 524 2HD ARG 75 HD3 ARG 75 2.300 -21.575 -2.184 525 HE ARG 75 HE ARG 75 0.637 -20.772 -0.084 526 1HH1 ARG 75 1HH1 ARG 75 -1.073 -21.856 0.833 527 2HH1 ARG 75 2HH1 ARG 75 -1.698 -23.361 0.148 528 1HH2 ARG 75 1HH2 ARG 75 0.474 -23.200 -2.657 529 2HH2 ARG 75 2HH2 ARG 75 -0.800 -24.106 -1.871 530 H VAL 76 H VAL 76 4.909 -16.775 -1.131 531 HA VAL 76 HA VAL 76 3.226 -14.852 -2.651 532 HB VAL 76 HB VAL 76 4.981 -13.142 -2.208 533 1HG1 VAL 76 1HG1 VAL 76 4.250 -12.521 0.031 534 2HG1 VAL 76 2HG1 VAL 76 2.883 -13.172 -0.894 535 3HG1 VAL 76 3HG1 VAL 76 3.685 -14.174 0.336 536 1HG2 VAL 76 1HG2 VAL 76 6.017 -15.034 -0.045 537 2HG2 VAL 76 2HG2 VAL 76 6.859 -14.668 -1.568 538 3HG2 VAL 76 3HG2 VAL 76 6.572 -13.388 -0.380 539 H GLU 77 H GLU 77 4.835 -13.841 -4.416 540 HA GLU 77 HA GLU 77 5.874 -16.157 -5.820 541 1HB GLU 77 HB2 GLU 77 4.589 -14.576 -6.997 542 2HB GLU 77 HB3 GLU 77 5.716 -13.248 -6.603 543 1HG GLU 77 HG2 GLU 77 7.492 -14.381 -7.931 544 2HG GLU 77 HG3 GLU 77 6.374 -15.714 -8.280 545 H ARG 78 H ARG 78 7.910 -16.686 -6.320 546 HA ARG 78 HA ARG 78 10.091 -15.894 -4.586 547 1HB ARG 78 HB2 ARG 78 9.632 -18.193 -5.426 548 2HB ARG 78 HB3 ARG 78 10.014 -17.663 -7.060 549 1HG ARG 78 HG2 ARG 78 12.347 -17.244 -6.418 550 2HG ARG 78 HG3 ARG 78 11.999 -17.750 -4.759 551 1HD ARG 78 HD2 ARG 78 11.696 -19.451 -7.272 552 2HD ARG 78 HD3 ARG 78 12.995 -19.595 -6.077 553 HE ARG 78 HE ARG 78 10.950 -19.986 -4.445 554 1HH1 ARG 78 1HH1 ARG 78 9.334 -22.974 -5.220 555 2HH1 ARG 78 2HH1 ARG 78 9.454 -21.602 -4.153 556 1HH2 ARG 78 1HH2 ARG 78 11.616 -21.562 -7.574 557 2HH2 ARG 78 2HH2 ARG 78 10.505 -22.874 -7.249 558 H SER 79 H SER 79 9.689 -13.645 -5.237 559 HA SER 79 HA SER 79 10.271 -12.561 -7.776 560 1HB SER 79 HB2 SER 79 10.479 -11.253 -5.024 561 2HB SER 79 HB3 SER 79 10.239 -10.435 -6.576 562 HG SER 79 HG SER 79 8.436 -12.313 -5.359 Start of MODEL 8 1 H GLY 1 H GLY 1 26.979 -20.676 -8.818 2 1HA GLY 1 HA2 GLY 1 27.580 -18.381 -9.977 3 2HA GLY 1 HA3 GLY 1 27.501 -19.388 -11.439 4 H VAL 2 H VAL 2 25.494 -20.800 -11.594 5 HA VAL 2 HA VAL 2 23.099 -19.275 -11.525 6 HB VAL 2 HB VAL 2 21.951 -21.388 -12.000 7 1HG1 VAL 2 1HG1 VAL 2 23.042 -21.867 -14.126 8 2HG1 VAL 2 2HG1 VAL 2 23.077 -20.126 -13.806 9 3HG1 VAL 2 3HG1 VAL 2 24.545 -21.101 -13.579 10 1HG2 VAL 2 1HG2 VAL 2 24.657 -22.749 -11.582 11 2HG2 VAL 2 2HG2 VAL 2 23.204 -22.967 -10.581 12 3HG2 VAL 2 3HG2 VAL 2 23.203 -23.494 -12.265 13 H THR 3 H THR 3 24.670 -21.260 -9.093 14 HA THR 3 HA THR 3 22.609 -21.739 -7.252 15 HB THR 3 HB THR 3 24.731 -21.594 -5.690 16 HG1 THR 3 HG1 THR 3 26.656 -21.598 -6.889 17 1HG2 THR 3 1HG2 THR 3 23.805 -23.718 -6.568 18 2HG2 THR 3 2HG2 THR 3 24.683 -23.484 -8.095 19 3HG2 THR 3 3HG2 THR 3 25.577 -23.747 -6.584 20 H LYS 4 H LYS 4 24.529 -18.825 -7.943 21 HA LYS 4 HA LYS 4 23.274 -17.345 -5.682 22 1HB LYS 4 HB2 LYS 4 25.378 -16.483 -7.714 23 2HB LYS 4 HB3 LYS 4 24.853 -15.575 -6.301 24 1HG LYS 4 HG2 LYS 4 26.346 -18.241 -6.345 25 2HG LYS 4 HG3 LYS 4 27.013 -16.676 -5.910 26 1HD LYS 4 HD2 LYS 4 24.920 -18.282 -4.364 27 2HD LYS 4 HD3 LYS 4 26.596 -18.002 -3.906 28 1HE LYS 4 HE2 LYS 4 24.389 -15.890 -4.041 29 2HE LYS 4 HE3 LYS 4 25.127 -16.571 -2.591 30 1HZ LYS 4 HZ1 LYS 4 26.054 -14.459 -3.117 31 2HZ LYS 4 HZ2 LYS 4 27.214 -15.619 -3.274 32 3HZ LYS 4 HZ3 LYS 4 26.514 -14.964 -4.616 33 H GLU 5 H GLU 5 23.707 -17.215 -9.231 34 HA GLU 5 HA GLU 5 21.654 -15.167 -9.560 35 1HB GLU 5 HB2 GLU 5 23.244 -16.855 -11.538 36 2HB GLU 5 HB3 GLU 5 22.118 -15.582 -12.006 37 1HG GLU 5 HG2 GLU 5 24.609 -15.177 -10.292 38 2HG GLU 5 HG3 GLU 5 24.440 -14.765 -12.003 39 H ILE 6 H ILE 6 20.257 -16.774 -8.194 40 HA ILE 6 HA ILE 6 18.794 -18.743 -9.838 41 HB ILE 6 HB ILE 6 17.264 -18.780 -7.817 42 1HG1 ILE 6 2HG1 ILE 6 19.537 -17.428 -6.314 43 2HG1 ILE 6 3HG1 ILE 6 18.202 -16.469 -6.955 44 1HG2 ILE 6 1HG2 ILE 6 20.190 -19.483 -7.404 45 2HG2 ILE 6 2HG2 ILE 6 18.810 -20.204 -6.553 46 3HG2 ILE 6 3HG2 ILE 6 19.001 -20.459 -8.292 47 1HD1 ILE 6 1HD1 ILE 6 17.751 -17.049 -4.642 48 2HD1 ILE 6 2HD1 ILE 6 16.590 -17.896 -5.683 49 3HD1 ILE 6 3HD1 ILE 6 17.964 -18.775 -4.975 50 H ARG 7 H ARG 7 18.677 -16.897 -11.459 51 HA ARG 7 HA ARG 7 16.719 -14.798 -11.017 52 1HB ARG 7 HB2 ARG 7 17.897 -15.731 -13.658 53 2HB ARG 7 HB3 ARG 7 17.119 -14.182 -13.290 54 1HG ARG 7 HG2 ARG 7 19.009 -13.828 -11.550 55 2HG ARG 7 HG3 ARG 7 19.790 -15.232 -12.293 56 1HD ARG 7 HD2 ARG 7 20.768 -13.402 -13.415 57 2HD ARG 7 HD3 ARG 7 19.577 -14.037 -14.539 58 HE ARG 7 HE ARG 7 18.312 -12.118 -14.334 59 1HH1 ARG 7 1HH1 ARG 7 20.826 -12.104 -11.801 60 2HH1 ARG 7 2HH1 ARG 7 20.465 -10.480 -11.296 61 1HH2 ARG 7 1HH2 ARG 7 17.883 -9.993 -13.670 62 2HH2 ARG 7 2HH2 ARG 7 18.790 -9.257 -12.377 63 H ILE 8 H ILE 8 15.248 -16.664 -10.207 64 HA ILE 8 HA ILE 8 13.233 -17.237 -12.289 65 HB ILE 8 HB ILE 8 12.920 -19.473 -10.951 66 1HG1 ILE 8 2HG1 ILE 8 15.897 -19.152 -10.455 67 2HG1 ILE 8 3HG1 ILE 8 14.680 -18.778 -9.228 68 1HG2 ILE 8 1HG2 ILE 8 13.604 -19.293 -13.340 69 2HG2 ILE 8 2HG2 ILE 8 15.302 -19.169 -12.834 70 3HG2 ILE 8 3HG2 ILE 8 14.381 -20.655 -12.528 71 1HD1 ILE 8 1HD1 ILE 8 13.804 -21.093 -9.376 72 2HD1 ILE 8 2HD1 ILE 8 15.093 -21.493 -10.537 73 3HD1 ILE 8 3HD1 ILE 8 15.505 -21.022 -8.880 74 HA PRO 9 HA PRO 9 10.594 -15.526 -9.165 75 1HB PRO 9 HB2 PRO 9 8.195 -16.747 -9.598 76 2HB PRO 9 HB3 PRO 9 8.937 -15.624 -10.771 77 1HG PRO 9 HG2 PRO 9 9.117 -18.646 -10.764 78 2HG PRO 9 HG3 PRO 9 8.610 -17.588 -12.119 79 1HD PRO 9 HD2 PRO 9 11.139 -18.491 -11.951 80 2HD PRO 9 HD3 PRO 9 10.836 -16.798 -12.430 81 H THR 10 H THR 10 12.122 -16.634 -7.674 82 HA THR 10 HA THR 10 11.546 -19.178 -6.534 83 HB THR 10 HB THR 10 13.223 -16.911 -5.379 84 HG1 THR 10 HG1 THR 10 13.787 -17.414 -7.570 85 1HG2 THR 10 1HG2 THR 10 13.408 -19.948 -5.138 86 2HG2 THR 10 2HG2 THR 10 14.532 -18.773 -4.424 87 3HG2 THR 10 3HG2 THR 10 12.854 -18.849 -3.851 88 H LEU 11 H LEU 11 9.747 -19.597 -5.342 89 HA LEU 11 HA LEU 11 8.370 -17.490 -3.872 90 1HB LEU 11 HB2 LEU 11 7.894 -20.492 -3.902 91 2HB LEU 11 HB3 LEU 11 6.823 -19.264 -3.214 92 HG LEU 11 HG LEU 11 7.514 -19.636 -6.164 93 1HD1 LEU 11 1HD1 LEU 11 4.893 -19.888 -4.625 94 2HD1 LEU 11 2HD1 LEU 11 5.120 -20.143 -6.368 95 3HD1 LEU 11 3HD1 LEU 11 5.889 -21.240 -5.208 96 1HD2 LEU 11 1HD2 LEU 11 5.947 -17.433 -4.762 97 2HD2 LEU 11 2HD2 LEU 11 7.320 -17.265 -5.876 98 3HD2 LEU 11 3HD2 LEU 11 5.763 -17.812 -6.495 99 H GLU 12 H GLU 12 8.089 -17.370 -1.632 100 HA GLU 12 HA GLU 12 9.894 -18.939 0.127 101 1HB GLU 12 HB2 GLU 12 9.651 -15.893 0.089 102 2HB GLU 12 HB3 GLU 12 10.582 -16.854 1.248 103 1HG GLU 12 HG2 GLU 12 12.020 -17.679 -0.629 104 2HG GLU 12 HG3 GLU 12 11.127 -16.641 -1.752 105 H GLU 13 H GLU 13 9.066 -19.015 2.299 106 HA GLU 13 HA GLU 13 6.171 -18.751 2.431 107 1HB GLU 13 HB2 GLU 13 6.274 -20.000 4.368 108 2HB GLU 13 HB3 GLU 13 7.535 -20.684 3.356 109 1HG GLU 13 HG2 GLU 13 7.876 -18.846 5.778 110 2HG GLU 13 HG3 GLU 13 8.253 -20.561 5.678 111 H CYS 14 H CYS 14 4.993 -17.167 3.586 112 HA CYS 14 HA CYS 14 6.460 -14.763 4.343 113 1HB CYS 14 HB2 CYS 14 4.220 -14.759 3.270 114 2HB CYS 14 HB3 CYS 14 3.590 -15.540 4.714 115 H ASP 15 H ASP 15 7.831 -15.504 5.965 116 HA ASP 15 HA ASP 15 7.449 -17.048 8.179 117 1HB ASP 15 HB2 ASP 15 9.286 -15.922 9.207 118 2HB ASP 15 HB3 ASP 15 9.595 -15.967 7.468 119 H VAL 16 H VAL 16 6.478 -13.667 7.857 120 HA VAL 16 HA VAL 16 5.710 -12.978 10.435 121 HB VAL 16 HB VAL 16 4.557 -12.273 7.714 122 1HG1 VAL 16 1HG1 VAL 16 3.568 -10.278 8.819 123 2HG1 VAL 16 2HG1 VAL 16 2.778 -11.795 9.252 124 3HG1 VAL 16 3HG1 VAL 16 3.910 -11.023 10.398 125 1HG2 VAL 16 1HG2 VAL 16 5.797 -10.152 8.137 126 2HG2 VAL 16 2HG2 VAL 16 6.435 -10.831 9.642 127 3HG2 VAL 16 3HG2 VAL 16 6.883 -11.547 8.078 128 H CYS 17 H CYS 17 3.850 -14.925 8.069 129 HA CYS 17 HA CYS 17 1.756 -15.497 10.169 130 1HB CYS 17 HB2 CYS 17 0.369 -16.167 8.352 131 2HB CYS 17 HB3 CYS 17 0.862 -14.457 8.226 132 H HIS 18 H HIS 18 4.599 -16.658 9.536 133 HA HIS 18 HA HIS 18 5.664 -18.629 9.424 134 1HB HIS 18 HB2 HIS 18 3.155 -19.755 10.697 135 2HB HIS 18 HB3 HIS 18 4.806 -20.373 10.844 136 HD1 HIS 18 HD1 HIS 18 5.737 -17.063 11.388 137 HD2 HIS 18 HD2 HIS 18 3.015 -19.569 13.404 138 HE1 HIS 18 HE1 HIS 18 5.438 -16.094 13.722 139 H GLY 19 H GLY 19 4.285 -17.835 7.084 140 1HA GLY 19 HA2 GLY 19 3.968 -18.694 4.995 141 2HA GLY 19 HA3 GLY 19 4.347 -20.303 5.609 142 H SER 20 H SER 20 1.755 -19.245 7.535 143 HA SER 20 HA SER 20 0.014 -21.107 6.154 144 1HB SER 20 HB2 SER 20 -1.594 -20.613 7.874 145 2HB SER 20 HB3 SER 20 -0.005 -20.888 8.603 146 HG SER 20 HG SER 20 0.173 -18.709 9.004 147 H GLY 21 H GLY 21 -0.532 -17.780 7.065 148 1HA GLY 21 HA2 GLY 21 -1.100 -16.207 5.036 149 2HA GLY 21 HA3 GLY 21 -2.463 -17.322 4.844 150 H ALA 22 H ALA 22 -2.228 -17.629 8.029 151 HA ALA 22 HA ALA 22 -4.328 -15.770 8.650 152 1HB ALA 22 HB1 ALA 22 -3.878 -16.540 11.002 153 2HB ALA 22 HB2 ALA 22 -4.182 -17.835 9.824 154 3HB ALA 22 HB3 ALA 22 -2.523 -17.500 10.349 155 H LYS 23 H LYS 23 -4.128 -13.873 10.128 156 HA LYS 23 HA LYS 23 -2.134 -12.172 9.284 157 1HB LYS 23 HB2 LYS 23 -3.163 -10.507 10.501 158 2HB LYS 23 HB3 LYS 23 -4.428 -11.694 10.336 159 1HG LYS 23 HG2 LYS 23 -3.870 -12.578 12.598 160 2HG LYS 23 HG3 LYS 23 -2.644 -11.304 12.775 161 1HD LYS 23 HD2 LYS 23 -4.597 -9.648 12.324 162 2HD LYS 23 HD3 LYS 23 -5.658 -11.034 12.655 163 1HE LYS 23 HE2 LYS 23 -3.554 -9.891 14.549 164 2HE LYS 23 HE3 LYS 23 -5.307 -9.678 14.679 165 1HZ LYS 23 HZ1 LYS 23 -4.548 -11.399 16.110 166 2HZ LYS 23 HZ2 LYS 23 -5.499 -12.058 14.935 167 3HZ LYS 23 HZ3 LYS 23 -3.859 -12.229 14.866 168 HA PRO 24 HA PRO 24 1.671 -12.205 11.254 169 1HB PRO 24 HB2 PRO 24 0.861 -9.899 13.046 170 2HB PRO 24 HB3 PRO 24 2.450 -10.183 12.273 171 1HG PRO 24 HG2 PRO 24 0.685 -8.537 11.059 172 2HG PRO 24 HG3 PRO 24 1.497 -9.785 10.072 173 1HD PRO 24 HD2 PRO 24 -1.256 -9.823 11.254 174 2HD PRO 24 HD3 PRO 24 -0.743 -10.345 9.617 175 H GLY 25 H GLY 25 2.391 -13.758 12.538 176 1HA GLY 25 HA2 GLY 25 2.530 -15.306 14.191 177 2HA GLY 25 HA3 GLY 25 2.350 -13.933 15.291 178 H THR 26 H THR 26 -0.298 -14.871 13.110 179 HA THR 26 HA THR 26 -1.866 -15.897 15.446 180 HB THR 26 HB THR 26 -2.815 -14.575 12.883 181 HG1 THR 26 HG1 THR 26 -1.547 -13.189 14.340 182 1HG2 THR 26 1HG2 THR 26 -4.561 -15.932 13.946 183 2HG2 THR 26 2HG2 THR 26 -4.284 -15.090 15.492 184 3HG2 THR 26 3HG2 THR 26 -4.910 -14.203 14.083 185 H GLN 27 H GLN 27 -3.051 -17.840 15.062 186 HA GLN 27 HA GLN 27 -2.000 -19.464 12.835 187 1HB GLN 27 HB2 GLN 27 -3.033 -21.337 14.004 188 2HB GLN 27 HB3 GLN 27 -1.903 -20.464 15.034 189 1HG GLN 27 HG2 GLN 27 -3.583 -19.645 16.431 190 2HG GLN 27 HG3 GLN 27 -4.853 -19.754 15.214 191 1HE2 GLN 27 1HE2 GLN 27 -5.472 -23.256 15.666 192 2HE2 GLN 27 2HE2 GLN 27 -5.430 -22.031 14.404 193 HA PRO 28 HA PRO 28 -5.985 -19.245 10.687 194 1HB PRO 28 HB2 PRO 28 -5.851 -21.374 9.061 195 2HB PRO 28 HB3 PRO 28 -4.688 -20.033 8.858 196 1HG PRO 28 HG2 PRO 28 -4.254 -22.619 10.399 197 2HG PRO 28 HG3 PRO 28 -3.206 -21.936 9.120 198 1HD PRO 28 HD2 PRO 28 -2.732 -21.534 11.767 199 2HD PRO 28 HD3 PRO 28 -2.429 -20.235 10.576 200 H GLN 29 H GLN 29 -7.840 -21.019 10.236 201 HA GLN 29 HA GLN 29 -8.171 -22.648 12.757 202 1HB GLN 29 HB2 GLN 29 -10.207 -21.288 10.962 203 2HB GLN 29 HB3 GLN 29 -10.603 -22.469 12.223 204 1HG GLN 29 HG2 GLN 29 -9.566 -21.021 13.941 205 2HG GLN 29 HG3 GLN 29 -9.101 -19.855 12.698 206 1HE2 GLN 29 1HE2 GLN 29 -13.119 -20.195 13.649 207 2HE2 GLN 29 2HE2 GLN 29 -12.093 -21.612 13.785 208 H THR 30 H THR 30 -8.101 -24.856 12.475 209 HA THR 30 HA THR 30 -7.566 -26.164 10.145 210 HB THR 30 HB THR 30 -9.325 -27.288 12.369 211 HG1 THR 30 HG1 THR 30 -7.326 -27.501 13.518 212 1HG2 THR 30 1HG2 THR 30 -6.984 -28.454 10.787 213 2HG2 THR 30 2HG2 THR 30 -7.906 -29.295 12.049 214 3HG2 THR 30 3HG2 THR 30 -8.705 -28.837 10.537 215 H CYS 31 H CYS 31 -8.777 -26.612 8.280 216 HA CYS 31 HA CYS 31 -11.498 -25.730 8.095 217 1HB CYS 31 HB2 CYS 31 -9.972 -25.844 6.163 218 2HB CYS 31 HB3 CYS 31 -9.964 -27.601 6.295 219 HA PRO 32 HA PRO 32 -12.913 -29.529 10.124 220 1HB PRO 32 HB2 PRO 32 -15.576 -29.030 10.344 221 2HB PRO 32 HB3 PRO 32 -14.334 -28.178 11.314 222 1HG PRO 32 HG2 PRO 32 -15.655 -27.194 8.766 223 2HG PRO 32 HG3 PRO 32 -15.472 -26.321 10.314 224 1HD PRO 32 HD2 PRO 32 -13.729 -25.989 8.250 225 2HD PRO 32 HD3 PRO 32 -13.175 -25.958 9.950 226 H THR 33 H THR 33 -14.497 -28.224 7.153 227 HA THR 33 HA THR 33 -15.961 -30.278 6.255 228 HB THR 33 HB THR 33 -14.125 -28.774 4.376 229 HG1 THR 33 HG1 THR 33 -15.533 -26.948 4.799 230 1HG2 THR 33 1HG2 THR 33 -17.144 -29.225 4.403 231 2HG2 THR 33 2HG2 THR 33 -16.204 -28.457 3.106 232 3HG2 THR 33 3HG2 THR 33 -15.975 -30.179 3.465 233 H CYS 34 H CYS 34 -12.418 -30.031 6.017 234 HA CYS 34 HA CYS 34 -12.273 -32.814 4.885 235 1HB CYS 34 HB2 CYS 34 -10.046 -32.112 4.068 236 2HB CYS 34 HB3 CYS 34 -11.385 -31.280 3.290 237 H HIS 35 H HIS 35 -12.359 -31.627 7.802 238 HA HIS 35 HA HIS 35 -11.293 -31.919 9.794 239 1HB HIS 35 HB2 HIS 35 -10.466 -34.569 8.547 240 2HB HIS 35 HB3 HIS 35 -10.598 -34.201 10.267 241 HD1 HIS 35 HD1 HIS 35 -13.660 -32.727 9.068 242 HD2 HIS 35 HD2 HIS 35 -12.170 -36.648 9.458 243 HE1 HIS 35 HE1 HIS 35 -15.676 -34.274 9.110 244 H GLY 36 H GLY 36 -9.784 -30.326 8.112 245 1HA GLY 36 HA2 GLY 36 -7.710 -29.392 8.013 246 2HA GLY 36 HA3 GLY 36 -7.178 -30.500 9.279 247 H SER 37 H SER 37 -8.166 -32.598 6.834 248 HA SER 37 HA SER 37 -5.435 -33.220 6.203 249 1HB SER 37 HB2 SER 37 -6.311 -34.901 4.724 250 2HB SER 37 HB3 SER 37 -7.232 -34.918 6.239 251 HG SER 37 HG SER 37 -8.908 -33.856 5.193 252 H GLY 38 H GLY 38 -7.922 -31.419 4.532 253 1HA GLY 38 HA2 GLY 38 -7.444 -29.607 3.025 254 2HA GLY 38 HA3 GLY 38 -5.943 -30.388 2.538 255 H GLN 39 H GLN 39 -8.465 -32.745 2.709 256 HA GLN 39 HA GLN 39 -9.284 -32.268 -0.102 257 1HB GLN 39 HB2 GLN 39 -8.905 -34.631 -0.645 258 2HB GLN 39 HB3 GLN 39 -7.428 -33.738 -0.294 259 1HG GLN 39 HG2 GLN 39 -7.184 -35.867 0.699 260 2HG GLN 39 HG3 GLN 39 -7.408 -34.732 2.023 261 1HE2 GLN 39 1HE2 GLN 39 -10.055 -36.713 3.296 262 2HE2 GLN 39 2HE2 GLN 39 -8.737 -35.587 3.605 263 H VAL 40 H VAL 40 -11.215 -33.181 -0.720 264 HA VAL 40 HA VAL 40 -13.091 -33.910 1.501 265 HB VAL 40 HB VAL 40 -14.825 -33.275 -0.245 266 1HG1 VAL 40 1HG1 VAL 40 -14.361 -31.900 1.706 267 2HG1 VAL 40 2HG1 VAL 40 -13.027 -31.087 0.854 268 3HG1 VAL 40 3HG1 VAL 40 -14.706 -30.879 0.296 269 1HG2 VAL 40 1HG2 VAL 40 -14.236 -31.718 -2.014 270 2HG2 VAL 40 2HG2 VAL 40 -12.526 -31.753 -1.559 271 3HG2 VAL 40 3HG2 VAL 40 -13.290 -33.190 -2.253 272 H GLN 41 H GLN 41 -13.865 -35.973 1.406 273 HA GLN 41 HA GLN 41 -13.358 -37.523 -1.084 274 1HB GLN 41 HB2 GLN 41 -11.908 -38.189 0.664 275 2HB GLN 41 HB3 GLN 41 -13.267 -38.528 1.756 276 1HG GLN 41 HG2 GLN 41 -13.991 -40.390 0.428 277 2HG GLN 41 HG3 GLN 41 -13.121 -39.832 -1.000 278 1HE2 GLN 41 1HE2 GLN 41 -10.971 -41.810 1.893 279 2HE2 GLN 41 2HE2 GLN 41 -12.466 -41.010 2.347 280 H MET 42 H MET 42 -15.102 -37.740 -2.152 281 HA MET 42 HA MET 42 -17.786 -37.610 -1.046 282 1HB MET 42 HB2 MET 42 -16.943 -38.485 -3.839 283 2HB MET 42 HB3 MET 42 -18.496 -37.822 -3.321 284 1HG MET 42 HG2 MET 42 -15.807 -36.426 -3.567 285 2HG MET 42 HG3 MET 42 -17.243 -36.139 -4.532 286 1HE MET 42 HE1 MET 42 -19.559 -35.884 -2.340 287 2HE MET 42 HE2 MET 42 -19.335 -34.781 -3.722 288 3HE MET 42 HE3 MET 42 -19.520 -34.127 -2.078 289 H ARG 43 H ARG 43 -17.457 -39.324 0.523 290 HA ARG 43 HA ARG 43 -16.934 -42.047 -0.268 291 1HB ARG 43 HB2 ARG 43 -16.499 -41.034 1.983 292 2HB ARG 43 HB3 ARG 43 -18.243 -41.045 2.281 293 1HG ARG 43 HG2 ARG 43 -18.224 -43.556 1.980 294 2HG ARG 43 HG3 ARG 43 -16.483 -43.478 1.666 295 1HD ARG 43 HD2 ARG 43 -16.883 -44.141 3.969 296 2HD ARG 43 HD3 ARG 43 -16.120 -42.534 3.931 297 HE ARG 43 HE ARG 43 -18.975 -42.282 3.960 298 1HH1 ARG 43 1HH1 ARG 43 -20.036 -41.623 5.865 299 2HH1 ARG 43 2HH1 ARG 43 -19.270 -41.794 7.421 300 1HH2 ARG 43 1HH2 ARG 43 -16.305 -43.197 6.077 301 2HH2 ARG 43 2HH2 ARG 43 -17.099 -42.700 7.546 302 H GLN 44 H GLN 44 -18.525 -41.804 -2.108 303 HA GLN 44 HA GLN 44 -21.363 -41.984 -1.590 304 1HB GLN 44 HB2 GLN 44 -21.507 -42.541 -4.013 305 2HB GLN 44 HB3 GLN 44 -20.727 -41.003 -3.624 306 1HG GLN 44 HG2 GLN 44 -18.513 -41.924 -4.044 307 2HG GLN 44 HG3 GLN 44 -19.187 -43.543 -4.276 308 1HE2 GLN 44 1HE2 GLN 44 -18.489 -42.196 -7.620 309 2HE2 GLN 44 2HE2 GLN 44 -17.595 -42.718 -6.184 310 H GLY 45 H GLY 45 -21.031 -43.639 0.104 311 1HA GLY 45 HA2 GLY 45 -21.721 -45.714 0.818 312 2HA GLY 45 HA3 GLY 45 -22.002 -46.204 -0.858 313 H PHE 46 H PHE 46 -19.782 -46.339 -2.131 314 HA PHE 46 HA PHE 46 -17.606 -47.501 -0.500 315 1HB PHE 46 HB2 PHE 46 -17.578 -49.611 -1.690 316 2HB PHE 46 HB3 PHE 46 -19.035 -49.402 -0.737 317 HD1 PHE 46 HD1 PHE 46 -21.238 -48.890 -1.865 318 HD2 PHE 46 HD2 PHE 46 -17.689 -49.938 -4.092 319 HE1 PHE 46 HE1 PHE 46 -22.637 -49.517 -3.812 320 HE2 PHE 46 HE2 PHE 46 -19.101 -50.669 -5.981 321 HZ PHE 46 HZ PHE 46 -21.572 -50.437 -5.864 322 H PHE 47 H PHE 47 -18.732 -46.495 -3.764 323 HA PHE 47 HA PHE 47 -16.035 -46.613 -4.874 324 1HB PHE 47 HB2 PHE 47 -18.531 -45.159 -5.832 325 2HB PHE 47 HB3 PHE 47 -17.041 -45.334 -6.740 326 HD1 PHE 47 HD1 PHE 47 -20.272 -46.577 -6.516 327 HD2 PHE 47 HD2 PHE 47 -16.187 -47.885 -6.991 328 HE1 PHE 47 HE1 PHE 47 -21.026 -48.405 -7.998 329 HE2 PHE 47 HE2 PHE 47 -16.956 -49.743 -8.435 330 HZ PHE 47 HZ PHE 47 -19.370 -49.977 -8.986 331 H ALA 48 H ALA 48 -15.417 -45.406 -2.671 332 HA ALA 48 HA ALA 48 -15.899 -42.618 -2.447 333 1HB ALA 48 HB1 ALA 48 -13.611 -44.293 -1.337 334 2HB ALA 48 HB2 ALA 48 -14.084 -42.672 -0.786 335 3HB ALA 48 HB3 ALA 48 -15.193 -44.041 -0.567 336 H VAL 49 H VAL 49 -14.999 -40.885 -3.429 337 HA VAL 49 HA VAL 49 -12.320 -41.051 -4.654 338 HB VAL 49 HB VAL 49 -13.195 -39.692 -6.594 339 1HG1 VAL 49 1HG1 VAL 49 -14.222 -42.538 -6.345 340 2HG1 VAL 49 2HG1 VAL 49 -13.831 -41.675 -7.854 341 3HG1 VAL 49 3HG1 VAL 49 -12.544 -42.056 -6.681 342 1HG2 VAL 49 1HG2 VAL 49 -15.935 -40.740 -5.720 343 2HG2 VAL 49 2HG2 VAL 49 -15.410 -39.041 -5.681 344 3HG2 VAL 49 3HG2 VAL 49 -15.557 -39.890 -7.228 345 H GLN 50 H GLN 50 -11.357 -38.870 -4.852 346 HA GLN 50 HA GLN 50 -12.701 -36.921 -3.101 347 1HB GLN 50 HB2 GLN 50 -10.844 -36.898 -1.544 348 2HB GLN 50 HB3 GLN 50 -11.223 -38.605 -1.838 349 1HG GLN 50 HG2 GLN 50 -9.340 -38.684 -3.480 350 2HG GLN 50 HG3 GLN 50 -9.010 -36.972 -3.128 351 1HE2 GLN 50 1HE2 GLN 50 -8.203 -39.596 -0.047 352 2HE2 GLN 50 2HE2 GLN 50 -9.627 -39.922 -1.010 353 H GLN 51 H GLN 51 -11.655 -34.851 -2.955 354 HA GLN 51 HA GLN 51 -9.919 -34.118 -5.248 355 1HB GLN 51 HB2 GLN 51 -12.387 -32.463 -4.609 356 2HB GLN 51 HB3 GLN 51 -11.298 -32.353 -5.984 357 1HG GLN 51 HG2 GLN 51 -13.194 -33.297 -6.926 358 2HG GLN 51 HG3 GLN 51 -12.170 -34.706 -6.664 359 1HE2 GLN 51 1HE2 GLN 51 -15.472 -34.080 -4.187 360 2HE2 GLN 51 2HE2 GLN 51 -14.581 -32.710 -4.814 361 H THR 52 H THR 52 -9.040 -31.852 -4.904 362 HA THR 52 HA THR 52 -8.123 -31.425 -2.255 363 HB THR 52 HB THR 52 -8.382 -29.427 -4.555 364 HG1 THR 52 HG1 THR 52 -6.408 -31.410 -4.091 365 1HG2 THR 52 1HG2 THR 52 -6.248 -28.536 -3.642 366 2HG2 THR 52 2HG2 THR 52 -7.578 -28.408 -2.479 367 3HG2 THR 52 3HG2 THR 52 -6.352 -29.689 -2.292 368 H CYS 53 H CYS 53 -9.000 -30.086 -0.574 369 HA CYS 53 HA CYS 53 -11.796 -29.485 -0.751 370 1HB CYS 53 HB2 CYS 53 -10.674 -30.077 1.350 371 2HB CYS 53 HB3 CYS 53 -9.764 -28.566 1.284 372 HA PRO 54 HA PRO 54 -10.879 -25.560 -2.845 373 1HB PRO 54 HB2 PRO 54 -13.417 -24.642 -3.284 374 2HB PRO 54 HB3 PRO 54 -12.688 -25.987 -4.204 375 1HG PRO 54 HG2 PRO 54 -14.558 -26.185 -1.831 376 2HG PRO 54 HG3 PRO 54 -14.656 -27.056 -3.385 377 1HD PRO 54 HD2 PRO 54 -13.543 -28.177 -1.170 378 2HD PRO 54 HD3 PRO 54 -12.890 -28.497 -2.804 379 H HIS 55 H HIS 55 -13.222 -25.757 -0.153 380 HA HIS 55 HA HIS 55 -13.500 -23.138 0.555 381 1HB HIS 55 HB2 HIS 55 -14.639 -25.153 1.530 382 2HB HIS 55 HB3 HIS 55 -13.215 -25.418 2.546 383 HD1 HIS 55 HD1 HIS 55 -13.252 -21.918 2.824 384 HD2 HIS 55 HD2 HIS 55 -15.938 -24.947 3.990 385 HE1 HIS 55 HE1 HIS 55 -14.726 -20.931 4.671 386 H CYS 56 H CYS 56 -10.735 -25.206 1.387 387 HA CYS 56 HA CYS 56 -9.309 -22.832 2.555 388 1HB CYS 56 HB2 CYS 56 -7.978 -24.475 3.804 389 2HB CYS 56 HB3 CYS 56 -9.677 -24.474 4.278 390 H GLN 57 H GLN 57 -9.558 -23.911 -0.324 391 HA GLN 57 HA GLN 57 -8.227 -24.393 -2.098 392 1HB GLN 57 HB2 GLN 57 -6.386 -22.433 -0.669 393 2HB GLN 57 HB3 GLN 57 -6.445 -22.777 -2.397 394 1HG GLN 57 HG2 GLN 57 -7.564 -20.727 -2.137 395 2HG GLN 57 HG3 GLN 57 -8.837 -21.917 -2.419 396 1HE2 GLN 57 1HE2 GLN 57 -10.490 -21.165 0.649 397 2HE2 GLN 57 2HE2 GLN 57 -10.514 -21.996 -0.890 398 H GLY 58 H GLY 58 -7.981 -26.478 -0.361 399 1HA GLY 58 HA2 GLY 58 -6.694 -28.346 -0.087 400 2HA GLY 58 HA3 GLY 58 -5.469 -27.627 -1.137 401 H ARG 59 H ARG 59 -5.672 -25.368 1.347 402 HA ARG 59 HA ARG 59 -3.192 -26.360 2.510 403 1HB ARG 59 HB2 ARG 59 -5.006 -24.110 3.399 404 2HB ARG 59 HB3 ARG 59 -3.322 -24.358 3.884 405 1HG ARG 59 HG2 ARG 59 -2.571 -23.967 1.546 406 2HG ARG 59 HG3 ARG 59 -4.250 -23.603 1.088 407 1HD ARG 59 HD2 ARG 59 -2.590 -22.134 3.196 408 2HD ARG 59 HD3 ARG 59 -3.028 -21.504 1.615 409 HE ARG 59 HE ARG 59 -4.781 -21.958 3.982 410 1HH1 ARG 59 1HH1 ARG 59 -7.032 -21.762 3.739 411 2HH1 ARG 59 2HH1 ARG 59 -7.671 -20.964 2.287 412 1HH2 ARG 59 1HH2 ARG 59 -4.580 -20.554 0.725 413 2HH2 ARG 59 2HH2 ARG 59 -6.324 -20.347 0.622 414 H GLY 60 H GLY 60 -6.448 -27.091 3.178 415 1HA GLY 60 HA2 GLY 60 -7.500 -28.164 4.959 416 2HA GLY 60 HA3 GLY 60 -5.900 -28.489 5.626 417 H THR 61 H THR 61 -6.191 -25.127 5.108 418 HA THR 61 HA THR 61 -7.108 -24.586 7.879 419 HB THR 61 HB THR 61 -5.111 -22.879 7.665 420 HG1 THR 61 HG1 THR 61 -4.148 -25.047 6.101 421 1HG2 THR 61 1HG2 THR 61 -4.714 -25.841 8.288 422 2HG2 THR 61 2HG2 THR 61 -3.641 -24.522 8.799 423 3HG2 THR 61 3HG2 THR 61 -5.303 -24.599 9.417 424 H LEU 62 H LEU 62 -8.411 -22.985 8.103 425 HA LEU 62 HA LEU 62 -9.193 -21.297 5.823 426 1HB LEU 62 HB2 LEU 62 -10.320 -21.619 8.634 427 2HB LEU 62 HB3 LEU 62 -11.005 -20.586 7.378 428 HG LEU 62 HG LEU 62 -10.705 -23.618 7.150 429 1HD1 LEU 62 1HD1 LEU 62 -13.131 -21.886 7.795 430 2HD1 LEU 62 2HD1 LEU 62 -13.166 -23.636 7.488 431 3HD1 LEU 62 3HD1 LEU 62 -12.307 -23.002 8.905 432 1HD2 LEU 62 1HD2 LEU 62 -12.165 -21.565 5.425 433 2HD2 LEU 62 2HD2 LEU 62 -10.747 -22.501 4.932 434 3HD2 LEU 62 3HD2 LEU 62 -12.273 -23.335 5.237 435 H ILE 63 H ILE 63 -8.362 -19.415 5.566 436 HA ILE 63 HA ILE 63 -6.510 -18.198 7.453 437 HB ILE 63 HB ILE 63 -7.574 -17.248 4.773 438 1HG1 ILE 63 2HG1 ILE 63 -6.499 -19.359 4.438 439 2HG1 ILE 63 3HG1 ILE 63 -5.400 -18.095 3.898 440 1HG2 ILE 63 1HG2 ILE 63 -5.403 -15.929 4.811 441 2HG2 ILE 63 2HG2 ILE 63 -6.657 -15.380 5.929 442 3HG2 ILE 63 3HG2 ILE 63 -5.292 -16.323 6.541 443 1HD1 ILE 63 1HD1 ILE 63 -4.213 -18.364 6.167 444 2HD1 ILE 63 2HD1 ILE 63 -5.221 -19.808 6.408 445 3HD1 ILE 63 3HD1 ILE 63 -4.099 -19.729 5.046 446 H LYS 64 H LYS 64 -8.018 -18.139 9.151 447 HA LYS 64 HA LYS 64 -10.334 -16.881 9.633 448 1HB LYS 64 HB2 LYS 64 -8.934 -17.925 11.334 449 2HB LYS 64 HB3 LYS 64 -7.718 -16.649 11.189 450 1HG LYS 64 HG2 LYS 64 -9.381 -14.991 12.054 451 2HG LYS 64 HG3 LYS 64 -10.550 -16.310 12.264 452 1HD LYS 64 HD2 LYS 64 -8.970 -17.454 13.803 453 2HD LYS 64 HD3 LYS 64 -7.776 -16.169 13.562 454 1HE LYS 64 HE2 LYS 64 -10.546 -15.832 14.814 455 2HE LYS 64 HE3 LYS 64 -9.002 -15.883 15.682 456 1HZ LYS 64 HZ1 LYS 64 -9.650 -13.654 15.387 457 2HZ LYS 64 HZ2 LYS 64 -8.344 -13.919 14.411 458 3HZ LYS 64 HZ3 LYS 64 -9.853 -13.836 13.763 459 H ASP 65 H ASP 65 -7.210 -15.148 9.466 460 HA ASP 65 HA ASP 65 -8.546 -12.621 8.715 461 1HB ASP 65 HB2 ASP 65 -6.759 -11.541 10.293 462 2HB ASP 65 HB3 ASP 65 -8.301 -12.120 10.915 463 HA PRO 66 HA PRO 66 -5.298 -13.582 5.797 464 1HB PRO 66 HB2 PRO 66 -5.659 -11.636 3.918 465 2HB PRO 66 HB3 PRO 66 -6.796 -12.994 4.159 466 1HG PRO 66 HG2 PRO 66 -7.007 -10.193 5.299 467 2HG PRO 66 HG3 PRO 66 -8.266 -11.111 4.423 468 1HD PRO 66 HD2 PRO 66 -8.172 -11.024 7.141 469 2HD PRO 66 HD3 PRO 66 -8.642 -12.531 6.293 470 H CYS 67 H CYS 67 -3.209 -13.282 6.001 471 HA CYS 67 HA CYS 67 -1.967 -11.030 7.276 472 1HB CYS 67 HB2 CYS 67 -1.051 -13.294 7.315 473 2HB CYS 67 HB3 CYS 67 -0.912 -13.319 5.570 474 H ASN 68 H ASN 68 -2.511 -9.156 6.079 475 HA ASN 68 HA ASN 68 -2.644 -8.547 3.457 476 1HB ASN 68 HB2 ASN 68 -3.021 -6.802 4.978 477 2HB ASN 68 HB3 ASN 68 -1.441 -7.003 5.746 478 1HD2 ASN 68 1HD2 ASN 68 -1.315 -5.085 2.096 479 2HD2 ASN 68 2HD2 ASN 68 -2.376 -6.461 2.176 480 H LYS 69 H LYS 69 0.537 -8.732 5.163 481 HA LYS 69 HA LYS 69 2.222 -7.946 3.157 482 1HB LYS 69 HB2 LYS 69 2.956 -8.511 5.390 483 2HB LYS 69 HB3 LYS 69 2.689 -10.240 5.101 484 1HG LYS 69 HG2 LYS 69 4.413 -10.328 3.422 485 2HG LYS 69 HG3 LYS 69 4.561 -8.572 3.364 486 1HD LYS 69 HD2 LYS 69 5.264 -10.278 5.802 487 2HD LYS 69 HD3 LYS 69 6.408 -9.764 4.553 488 1HE LYS 69 HE2 LYS 69 5.707 -7.344 5.048 489 2HE LYS 69 HE3 LYS 69 4.896 -7.969 6.495 490 1HZ LYS 69 HZ1 LYS 69 7.023 -8.849 7.190 491 2HZ LYS 69 HZ2 LYS 69 7.747 -8.237 5.843 492 3HZ LYS 69 HZ3 LYS 69 7.093 -7.221 6.961 493 H CYS 70 H CYS 70 0.583 -11.118 3.297 494 HA CYS 70 HA CYS 70 1.572 -11.672 0.507 495 1HB CYS 70 HB2 CYS 70 1.421 -14.055 1.052 496 2HB CYS 70 HB3 CYS 70 2.643 -13.257 2.025 497 H HIS 71 H HIS 71 -0.992 -10.471 2.012 498 HA HIS 71 HA HIS 71 -3.253 -10.642 1.925 499 1HB HIS 71 HB2 HIS 71 -2.442 -11.293 -0.919 500 2HB HIS 71 HB3 HIS 71 -4.112 -10.933 -0.445 501 HD1 HIS 71 HD1 HIS 71 -0.827 -9.115 -1.042 502 HD2 HIS 71 HD2 HIS 71 -4.528 -8.487 0.842 503 HE1 HIS 71 HE1 HIS 71 -0.923 -6.643 -0.425 504 H GLY 72 H GLY 72 -2.274 -12.811 3.161 505 1HA GLY 72 HA2 GLY 72 -2.956 -14.878 3.881 506 2HA GLY 72 HA3 GLY 72 -4.448 -14.646 2.965 507 H HIS 73 H HIS 73 -1.699 -14.515 0.855 508 HA HIS 73 HA HIS 73 -2.362 -17.081 -0.333 509 1HB HIS 73 HB2 HIS 73 -0.031 -15.197 -0.873 510 2HB HIS 73 HB3 HIS 73 -0.488 -16.596 -1.834 511 HD1 HIS 73 HD1 HIS 73 -3.308 -14.219 -0.742 512 HD2 HIS 73 HD2 HIS 73 -0.762 -15.045 -3.997 513 HE1 HIS 73 HE1 HIS 73 -4.240 -12.957 -2.736 514 H GLY 74 H GLY 74 -0.437 -16.134 2.293 515 1HA GLY 74 HA2 GLY 74 0.789 -17.473 3.757 516 2HA GLY 74 HA3 GLY 74 0.616 -18.844 2.655 517 H ARG 75 H ARG 75 1.762 -17.909 0.343 518 HA ARG 75 HA ARG 75 4.624 -17.511 1.105 519 1HB ARG 75 HB2 ARG 75 5.030 -18.331 -1.283 520 2HB ARG 75 HB3 ARG 75 4.517 -19.489 -0.067 521 1HG ARG 75 HG2 ARG 75 3.456 -19.862 -2.235 522 2HG ARG 75 HG3 ARG 75 2.292 -19.606 -0.938 523 1HD ARG 75 HD2 ARG 75 1.564 -18.507 -2.967 524 2HD ARG 75 HD3 ARG 75 1.866 -17.311 -1.734 525 HE ARG 75 HE ARG 75 3.907 -18.008 -3.827 526 1HH1 ARG 75 1HH1 ARG 75 3.562 -14.905 -5.408 527 2HH1 ARG 75 2HH1 ARG 75 4.169 -16.531 -5.540 528 1HH2 ARG 75 1HH2 ARG 75 2.238 -14.312 -3.567 529 2HH2 ARG 75 2HH2 ARG 75 2.239 -15.367 -2.179 530 H VAL 76 H VAL 76 5.934 -16.356 -0.523 531 HA VAL 76 HA VAL 76 4.610 -14.134 -1.946 532 HB VAL 76 HB VAL 76 6.293 -12.553 -1.076 533 1HG1 VAL 76 1HG1 VAL 76 5.274 -12.115 1.082 534 2HG1 VAL 76 2HG1 VAL 76 4.029 -12.682 -0.048 535 3HG1 VAL 76 3HG1 VAL 76 4.689 -13.785 1.183 536 1HG2 VAL 76 1HG2 VAL 76 8.068 -14.111 -0.352 537 2HG2 VAL 76 2HG2 VAL 76 7.581 -13.041 0.965 538 3HG2 VAL 76 3HG2 VAL 76 7.022 -14.721 0.950 539 H GLU 77 H GLU 77 6.117 -13.277 -3.594 540 HA GLU 77 HA GLU 77 8.035 -15.357 -4.529 541 1HB GLU 77 HB2 GLU 77 6.211 -14.676 -6.060 542 2HB GLU 77 HB3 GLU 77 6.796 -13.001 -6.005 543 1HG GLU 77 HG2 GLU 77 8.977 -13.728 -6.952 544 2HG GLU 77 HG3 GLU 77 8.412 -15.408 -6.978 545 H ARG 78 H ARG 78 10.186 -14.922 -4.494 546 HA ARG 78 HA ARG 78 11.241 -12.559 -3.225 547 1HB ARG 78 HB2 ARG 78 12.212 -14.873 -3.146 548 2HB ARG 78 HB3 ARG 78 12.626 -14.720 -4.841 549 1HG ARG 78 HG2 ARG 78 13.706 -12.390 -3.559 550 2HG ARG 78 HG3 ARG 78 13.999 -13.717 -2.430 551 1HD ARG 78 HD2 ARG 78 15.887 -13.418 -4.026 552 2HD ARG 78 HD3 ARG 78 15.112 -15.006 -4.209 553 HE ARG 78 HE ARG 78 14.019 -12.853 -5.867 554 1HH1 ARG 78 1HH1 ARG 78 16.356 -15.493 -6.000 555 2HH1 ARG 78 2HH1 ARG 78 15.892 -15.969 -7.613 556 1HH2 ARG 78 1HH2 ARG 78 13.221 -13.586 -7.675 557 2HH2 ARG 78 2HH2 ARG 78 13.889 -14.976 -8.529 558 H SER 79 H SER 79 10.074 -11.085 -4.593 559 HA SER 79 HA SER 79 10.520 -10.813 -7.410 560 1HB SER 79 HB2 SER 79 9.410 -8.808 -5.397 561 2HB SER 79 HB3 SER 79 9.167 -8.801 -7.152 562 HG SER 79 HG SER 79 8.340 -10.884 -5.359 Start of MODEL 9 1 H GLY 1 H GLY 1 6.862 -18.809 -25.689 2 1HA GLY 1 HA2 GLY 1 5.947 -16.250 -25.294 3 2HA GLY 1 HA3 GLY 1 4.442 -17.182 -25.417 4 H VAL 2 H VAL 2 4.171 -19.022 -23.949 5 HA VAL 2 HA VAL 2 4.772 -18.518 -21.246 6 HB VAL 2 HB VAL 2 4.034 -20.833 -20.837 7 1HG1 VAL 2 1HG1 VAL 2 2.288 -19.360 -22.855 8 2HG1 VAL 2 2HG1 VAL 2 1.756 -20.557 -21.659 9 3HG1 VAL 2 3HG1 VAL 2 2.403 -18.999 -21.119 10 1HG2 VAL 2 1HG2 VAL 2 4.996 -21.997 -22.786 11 2HG2 VAL 2 2HG2 VAL 2 3.253 -22.259 -22.676 12 3HG2 VAL 2 3HG2 VAL 2 3.895 -21.123 -23.874 13 H THR 3 H THR 3 6.695 -20.074 -23.718 14 HA THR 3 HA THR 3 8.602 -21.468 -22.121 15 HB THR 3 HB THR 3 9.825 -21.101 -24.434 16 HG1 THR 3 HG1 THR 3 8.336 -20.440 -26.050 17 1HG2 THR 3 1HG2 THR 3 8.378 -22.785 -25.526 18 2HG2 THR 3 2HG2 THR 3 8.640 -23.192 -23.823 19 3HG2 THR 3 3HG2 THR 3 7.096 -22.480 -24.336 20 H LYS 4 H LYS 4 8.365 -18.187 -23.504 21 HA LYS 4 HA LYS 4 11.058 -17.399 -22.671 22 1HB LYS 4 HB2 LYS 4 8.737 -15.802 -23.821 23 2HB LYS 4 HB3 LYS 4 10.401 -15.227 -23.620 24 1HG LYS 4 HG2 LYS 4 11.200 -17.059 -25.115 25 2HG LYS 4 HG3 LYS 4 9.529 -17.549 -25.418 26 1HD LYS 4 HD2 LYS 4 10.684 -14.790 -26.047 27 2HD LYS 4 HD3 LYS 4 10.514 -16.115 -27.209 28 1HE LYS 4 HE2 LYS 4 8.041 -16.131 -26.820 29 2HE LYS 4 HE3 LYS 4 8.217 -14.730 -25.743 30 1HZ LYS 4 HZ1 LYS 4 9.114 -13.508 -27.576 31 2HZ LYS 4 HZ2 LYS 4 8.946 -14.803 -28.581 32 3HZ LYS 4 HZ3 LYS 4 7.613 -14.082 -27.935 33 H GLU 5 H GLU 5 7.707 -16.915 -21.618 34 HA GLU 5 HA GLU 5 8.296 -14.987 -19.535 35 1HB GLU 5 HB2 GLU 5 5.914 -16.811 -20.046 36 2HB GLU 5 HB3 GLU 5 5.945 -15.511 -18.848 37 1HG GLU 5 HG2 GLU 5 6.188 -13.815 -20.553 38 2HG GLU 5 HG3 GLU 5 6.424 -15.015 -21.825 39 H ILE 6 H ILE 6 10.195 -16.398 -18.812 40 HA ILE 6 HA ILE 6 9.768 -18.799 -17.323 41 HB ILE 6 HB ILE 6 12.090 -18.388 -16.491 42 1HG1 ILE 6 2HG1 ILE 6 12.194 -16.058 -18.457 43 2HG1 ILE 6 3HG1 ILE 6 11.912 -15.801 -16.735 44 1HG2 ILE 6 1HG2 ILE 6 13.097 -18.873 -18.671 45 2HG2 ILE 6 2HG2 ILE 6 11.546 -19.696 -18.512 46 3HG2 ILE 6 3HG2 ILE 6 11.670 -18.232 -19.504 47 1HD1 ILE 6 1HD1 ILE 6 14.263 -15.527 -17.213 48 2HD1 ILE 6 2HD1 ILE 6 14.038 -16.971 -16.206 49 3HD1 ILE 6 3HD1 ILE 6 14.364 -17.135 -17.949 50 H ARG 7 H ARG 7 7.853 -17.865 -16.231 51 HA ARG 7 HA ARG 7 8.168 -16.236 -13.863 52 1HB ARG 7 HB2 ARG 7 5.791 -16.786 -13.529 53 2HB ARG 7 HB3 ARG 7 6.149 -16.249 -15.170 54 1HG ARG 7 HG2 ARG 7 6.348 -18.958 -15.556 55 2HG ARG 7 HG3 ARG 7 5.241 -18.938 -14.192 56 1HD ARG 7 HD2 ARG 7 3.696 -17.488 -15.415 57 2HD ARG 7 HD3 ARG 7 4.822 -17.334 -16.766 58 HE ARG 7 HE ARG 7 3.066 -19.574 -16.138 59 1HH1 ARG 7 1HH1 ARG 7 2.972 -21.320 -17.585 60 2HH1 ARG 7 2HH1 ARG 7 4.204 -21.537 -18.800 61 1HH2 ARG 7 1HH2 ARG 7 6.036 -18.648 -17.885 62 2HH2 ARG 7 2HH2 ARG 7 5.928 -19.927 -19.040 63 H ILE 8 H ILE 8 10.125 -17.824 -13.359 64 HA ILE 8 HA ILE 8 9.677 -20.364 -12.269 65 HB ILE 8 HB ILE 8 11.720 -18.317 -11.328 66 1HG1 ILE 8 2HG1 ILE 8 12.064 -18.516 -13.673 67 2HG1 ILE 8 3HG1 ILE 8 13.294 -19.472 -12.872 68 1HG2 ILE 8 1HG2 ILE 8 11.565 -20.172 -9.760 69 2HG2 ILE 8 2HG2 ILE 8 11.686 -21.352 -11.078 70 3HG2 ILE 8 3HG2 ILE 8 13.061 -20.302 -10.683 71 1HD1 ILE 8 1HD1 ILE 8 10.802 -20.546 -14.268 72 2HD1 ILE 8 2HD1 ILE 8 12.479 -20.663 -14.813 73 3HD1 ILE 8 3HD1 ILE 8 11.965 -21.551 -13.369 74 HA PRO 9 HA PRO 9 7.159 -18.976 -8.766 75 1HB PRO 9 HB2 PRO 9 6.570 -21.368 -7.602 76 2HB PRO 9 HB3 PRO 9 5.897 -20.861 -9.175 77 1HG PRO 9 HG2 PRO 9 8.322 -22.618 -8.701 78 2HG PRO 9 HG3 PRO 9 6.915 -22.963 -9.750 79 1HD PRO 9 HD2 PRO 9 9.209 -21.918 -10.739 80 2HD PRO 9 HD3 PRO 9 7.623 -21.363 -11.362 81 H THR 10 H THR 10 9.194 -17.926 -8.154 82 HA THR 10 HA THR 10 11.004 -19.188 -6.259 83 HB THR 10 HB THR 10 10.729 -16.251 -7.005 84 HG1 THR 10 HG1 THR 10 10.867 -17.579 -8.895 85 1HG2 THR 10 1HG2 THR 10 12.334 -16.839 -5.142 86 2HG2 THR 10 2HG2 THR 10 13.164 -17.941 -6.258 87 3HG2 THR 10 3HG2 THR 10 13.141 -16.195 -6.584 88 H LEU 11 H LEU 11 8.888 -19.793 -5.063 89 HA LEU 11 HA LEU 11 7.599 -17.712 -3.509 90 1HB LEU 11 HB2 LEU 11 7.398 -20.717 -3.191 91 2HB LEU 11 HB3 LEU 11 6.314 -19.488 -2.528 92 HG LEU 11 HG LEU 11 6.711 -20.258 -5.438 93 1HD1 LEU 11 1HD1 LEU 11 4.249 -20.217 -3.660 94 2HD1 LEU 11 2HD1 LEU 11 4.338 -20.815 -5.330 95 3HD1 LEU 11 3HD1 LEU 11 5.218 -21.658 -4.038 96 1HD2 LEU 11 1HD2 LEU 11 5.234 -17.842 -4.323 97 2HD2 LEU 11 2HD2 LEU 11 6.532 -17.880 -5.544 98 3HD2 LEU 11 3HD2 LEU 11 4.937 -18.523 -5.940 99 H GLU 12 H GLU 12 8.296 -16.837 -1.698 100 HA GLU 12 HA GLU 12 10.247 -18.303 0.044 101 1HB GLU 12 HB2 GLU 12 9.603 -15.342 -0.148 102 2HB GLU 12 HB3 GLU 12 10.742 -16.088 0.982 103 1HG GLU 12 HG2 GLU 12 12.043 -16.970 -0.995 104 2HG GLU 12 HG3 GLU 12 10.975 -16.041 -2.062 105 H GLU 13 H GLU 13 9.568 -18.926 1.995 106 HA GLU 13 HA GLU 13 6.883 -19.008 2.785 107 1HB GLU 13 HB2 GLU 13 8.886 -20.442 3.568 108 2HB GLU 13 HB3 GLU 13 9.317 -19.091 4.624 109 1HG GLU 13 HG2 GLU 13 8.109 -20.542 6.011 110 2HG GLU 13 HG3 GLU 13 6.899 -19.331 5.597 111 H CYS 14 H CYS 14 5.542 -17.437 3.709 112 HA CYS 14 HA CYS 14 6.736 -14.849 4.376 113 1HB CYS 14 HB2 CYS 14 4.562 -15.077 3.206 114 2HB CYS 14 HB3 CYS 14 3.897 -15.761 4.690 115 H ASP 15 H ASP 15 8.095 -15.410 6.072 116 HA ASP 15 HA ASP 15 7.635 -16.784 8.427 117 1HB ASP 15 HB2 ASP 15 9.441 -15.538 9.387 118 2HB ASP 15 HB3 ASP 15 9.815 -15.785 7.677 119 H VAL 16 H VAL 16 6.631 -13.510 7.610 120 HA VAL 16 HA VAL 16 5.815 -12.479 10.055 121 HB VAL 16 HB VAL 16 4.442 -12.155 7.353 122 1HG1 VAL 16 1HG1 VAL 16 3.747 -9.953 8.225 123 2HG1 VAL 16 2HG1 VAL 16 3.037 -11.293 9.125 124 3HG1 VAL 16 3HG1 VAL 16 4.408 -10.387 9.818 125 1HG2 VAL 16 1HG2 VAL 16 6.786 -11.551 7.094 126 2HG2 VAL 16 2HG2 VAL 16 5.859 -10.057 7.243 127 3HG2 VAL 16 3HG2 VAL 16 6.771 -10.663 8.635 128 H CYS 17 H CYS 17 3.916 -14.628 7.858 129 HA CYS 17 HA CYS 17 1.916 -15.065 10.068 130 1HB CYS 17 HB2 CYS 17 0.566 -16.117 8.316 131 2HB CYS 17 HB3 CYS 17 0.842 -14.384 8.092 132 H HIS 18 H HIS 18 4.780 -16.186 9.634 133 HA HIS 18 HA HIS 18 5.870 -18.091 10.016 134 1HB HIS 18 HB2 HIS 18 3.363 -19.176 11.285 135 2HB HIS 18 HB3 HIS 18 5.039 -19.350 11.817 136 HD1 HIS 18 HD1 HIS 18 5.594 -16.063 11.774 137 HD2 HIS 18 HD2 HIS 18 2.205 -18.042 13.294 138 HE1 HIS 18 HE1 HIS 18 4.460 -14.448 13.383 139 H GLY 19 H GLY 19 4.582 -17.821 7.476 140 1HA GLY 19 HA2 GLY 19 4.400 -19.086 5.592 141 2HA GLY 19 HA3 GLY 19 4.789 -20.531 6.541 142 H SER 20 H SER 20 2.098 -19.226 8.107 143 HA SER 20 HA SER 20 0.448 -21.340 6.969 144 1HB SER 20 HB2 SER 20 -1.210 -20.671 8.554 145 2HB SER 20 HB3 SER 20 0.341 -20.833 9.363 146 HG SER 20 HG SER 20 0.494 -18.583 9.453 147 H GLY 21 H GLY 21 -0.213 -17.912 7.413 148 1HA GLY 21 HA2 GLY 21 -0.686 -16.758 5.044 149 2HA GLY 21 HA3 GLY 21 -2.059 -17.866 5.095 150 H ALA 22 H ALA 22 -2.066 -17.497 8.224 151 HA ALA 22 HA ALA 22 -3.833 -15.133 8.095 152 1HB ALA 22 HB1 ALA 22 -4.687 -15.851 10.205 153 2HB ALA 22 HB2 ALA 22 -4.630 -17.251 9.121 154 3HB ALA 22 HB3 ALA 22 -3.384 -17.048 10.379 155 H LYS 23 H LYS 23 -3.549 -13.300 9.470 156 HA LYS 23 HA LYS 23 -0.996 -12.326 9.587 157 1HB LYS 23 HB2 LYS 23 -1.905 -10.399 10.767 158 2HB LYS 23 HB3 LYS 23 -3.027 -11.030 9.600 159 1HG LYS 23 HG2 LYS 23 -4.359 -10.506 11.423 160 2HG LYS 23 HG3 LYS 23 -4.191 -12.265 11.436 161 1HD LYS 23 HD2 LYS 23 -4.164 -11.280 13.675 162 2HD LYS 23 HD3 LYS 23 -2.693 -12.177 13.341 163 1HE LYS 23 HE2 LYS 23 -1.499 -10.011 12.893 164 2HE LYS 23 HE3 LYS 23 -2.987 -9.150 13.338 165 1HZ LYS 23 HZ1 LYS 23 -1.447 -11.010 15.019 166 2HZ LYS 23 HZ2 LYS 23 -1.443 -9.364 15.152 167 3HZ LYS 23 HZ3 LYS 23 -2.816 -10.214 15.490 168 HA PRO 24 HA PRO 24 1.714 -13.642 12.668 169 1HB PRO 24 HB2 PRO 24 1.280 -10.953 14.009 170 2HB PRO 24 HB3 PRO 24 2.807 -11.878 13.874 171 1HG PRO 24 HG2 PRO 24 2.218 -9.912 12.087 172 2HG PRO 24 HG3 PRO 24 2.946 -11.442 11.545 173 1HD PRO 24 HD2 PRO 24 0.159 -10.483 11.248 174 2HD PRO 24 HD3 PRO 24 1.057 -11.623 10.213 175 H GLY 25 H GLY 25 1.491 -15.067 14.311 176 1HA GLY 25 HA2 GLY 25 0.864 -15.986 16.296 177 2HA GLY 25 HA3 GLY 25 0.129 -14.454 16.780 178 H THR 26 H THR 26 -1.826 -14.097 14.872 179 HA THR 26 HA THR 26 -3.866 -15.956 15.778 180 HB THR 26 HB THR 26 -4.229 -13.782 13.699 181 HG1 THR 26 HG1 THR 26 -3.172 -12.970 15.617 182 1HG2 THR 26 1HG2 THR 26 -6.482 -13.673 14.725 183 2HG2 THR 26 2HG2 THR 26 -6.147 -15.280 14.055 184 3HG2 THR 26 3HG2 THR 26 -6.059 -15.007 15.812 185 H GLN 27 H GLN 27 -2.587 -17.713 14.864 186 HA GLN 27 HA GLN 27 -2.254 -18.324 12.155 187 1HB GLN 27 HB2 GLN 27 -2.001 -20.666 13.050 188 2HB GLN 27 HB3 GLN 27 -1.170 -19.443 14.000 189 1HG GLN 27 HG2 GLN 27 -3.567 -19.537 15.371 190 2HG GLN 27 HG3 GLN 27 -3.530 -21.155 14.687 191 1HE2 GLN 27 1HE2 GLN 27 -0.641 -20.012 17.433 192 2HE2 GLN 27 2HE2 GLN 27 -1.403 -18.765 16.462 193 HA PRO 28 HA PRO 28 -6.308 -19.200 10.649 194 1HB PRO 28 HB2 PRO 28 -6.021 -21.347 8.987 195 2HB PRO 28 HB3 PRO 28 -5.331 -19.739 8.623 196 1HG PRO 28 HG2 PRO 28 -3.903 -22.071 9.929 197 2HG PRO 28 HG3 PRO 28 -3.396 -21.139 8.484 198 1HD PRO 28 HD2 PRO 28 -2.437 -20.514 10.919 199 2HD PRO 28 HD3 PRO 28 -2.945 -19.204 9.827 200 H GLN 29 H GLN 29 -7.953 -21.109 10.355 201 HA GLN 29 HA GLN 29 -7.754 -22.882 12.798 202 1HB GLN 29 HB2 GLN 29 -10.229 -21.741 11.475 203 2HB GLN 29 HB3 GLN 29 -10.175 -22.753 12.920 204 1HG GLN 29 HG2 GLN 29 -8.908 -19.963 12.698 205 2HG GLN 29 HG3 GLN 29 -10.497 -20.313 13.360 206 1HE2 GLN 29 1HE2 GLN 29 -7.204 -21.320 15.624 207 2HE2 GLN 29 2HE2 GLN 29 -6.966 -21.138 13.900 208 H THR 30 H THR 30 -7.999 -25.073 12.560 209 HA THR 30 HA THR 30 -7.462 -26.270 10.143 210 HB THR 30 HB THR 30 -9.118 -27.524 12.379 211 HG1 THR 30 HG1 THR 30 -6.328 -26.976 12.380 212 1HG2 THR 30 1HG2 THR 30 -7.701 -29.490 11.911 213 2HG2 THR 30 2HG2 THR 30 -8.550 -28.967 10.443 214 3HG2 THR 30 3HG2 THR 30 -6.826 -28.577 10.662 215 H CYS 31 H CYS 31 -8.710 -26.620 8.272 216 HA CYS 31 HA CYS 31 -11.515 -25.948 8.285 217 1HB CYS 31 HB2 CYS 31 -10.108 -25.777 6.263 218 2HB CYS 31 HB3 CYS 31 -9.918 -27.530 6.269 219 HA PRO 32 HA PRO 32 -12.439 -30.014 10.058 220 1HB PRO 32 HB2 PRO 32 -15.145 -29.873 10.314 221 2HB PRO 32 HB3 PRO 32 -14.004 -28.950 11.341 222 1HG PRO 32 HG2 PRO 32 -15.465 -27.949 8.878 223 2HG PRO 32 HG3 PRO 32 -15.371 -27.176 10.486 224 1HD PRO 32 HD2 PRO 32 -13.707 -26.472 8.454 225 2HD PRO 32 HD3 PRO 32 -13.127 -26.523 10.145 226 H THR 33 H THR 33 -14.194 -28.765 7.164 227 HA THR 33 HA THR 33 -15.408 -30.989 6.222 228 HB THR 33 HB THR 33 -13.941 -29.160 4.321 229 HG1 THR 33 HG1 THR 33 -16.113 -28.313 5.925 230 1HG2 THR 33 1HG2 THR 33 -16.875 -29.992 4.535 231 2HG2 THR 33 2HG2 THR 33 -16.120 -29.078 3.212 232 3HG2 THR 33 3HG2 THR 33 -15.676 -30.774 3.492 233 H CYS 34 H CYS 34 -11.986 -30.106 5.618 234 HA CYS 34 HA CYS 34 -11.467 -32.807 4.415 235 1HB CYS 34 HB2 CYS 34 -9.231 -31.746 3.872 236 2HB CYS 34 HB3 CYS 34 -10.603 -31.292 2.915 237 H HIS 35 H HIS 35 -11.693 -31.812 7.454 238 HA HIS 35 HA HIS 35 -10.641 -32.264 9.415 239 1HB HIS 35 HB2 HIS 35 -9.385 -34.646 8.016 240 2HB HIS 35 HB3 HIS 35 -9.872 -34.494 9.704 241 HD1 HIS 35 HD1 HIS 35 -12.924 -33.344 8.446 242 HD2 HIS 35 HD2 HIS 35 -10.777 -36.908 7.793 243 HE1 HIS 35 HE1 HIS 35 -14.593 -35.057 7.572 244 H GLY 36 H GLY 36 -9.362 -30.317 8.049 245 1HA GLY 36 HA2 GLY 36 -7.420 -29.125 7.930 246 2HA GLY 36 HA3 GLY 36 -6.712 -30.278 9.073 247 H SER 37 H SER 37 -7.633 -32.195 6.503 248 HA SER 37 HA SER 37 -4.861 -32.386 5.612 249 1HB SER 37 HB2 SER 37 -7.243 -34.165 4.999 250 2HB SER 37 HB3 SER 37 -5.527 -34.539 4.810 251 HG SER 37 HG SER 37 -6.752 -33.882 7.320 252 H GLY 38 H GLY 38 -7.067 -30.303 4.565 253 1HA GLY 38 HA2 GLY 38 -7.144 -29.062 2.629 254 2HA GLY 38 HA3 GLY 38 -5.822 -30.041 2.004 255 H GLN 39 H GLN 39 -7.552 -32.547 2.264 256 HA GLN 39 HA GLN 39 -9.149 -32.127 -0.208 257 1HB GLN 39 HB2 GLN 39 -8.652 -34.473 -0.753 258 2HB GLN 39 HB3 GLN 39 -7.245 -33.423 -0.687 259 1HG GLN 39 HG2 GLN 39 -6.279 -35.042 0.462 260 2HG GLN 39 HG3 GLN 39 -7.155 -34.463 1.869 261 1HE2 GLN 39 1HE2 GLN 39 -9.442 -37.288 1.839 262 2HE2 GLN 39 2HE2 GLN 39 -9.394 -35.574 2.234 263 H VAL 40 H VAL 40 -11.175 -32.803 -0.296 264 HA VAL 40 HA VAL 40 -12.508 -33.885 2.147 265 HB VAL 40 HB VAL 40 -14.556 -33.625 0.606 266 1HG1 VAL 40 1HG1 VAL 40 -13.019 -31.154 1.458 267 2HG1 VAL 40 2HG1 VAL 40 -14.768 -31.244 1.098 268 3HG1 VAL 40 3HG1 VAL 40 -14.090 -32.165 2.461 269 1HG2 VAL 40 1HG2 VAL 40 -12.784 -31.720 -0.976 270 2HG2 VAL 40 2HG2 VAL 40 -13.175 -33.365 -1.523 271 3HG2 VAL 40 3HG2 VAL 40 -14.466 -32.170 -1.280 272 H GLN 41 H GLN 41 -13.848 -35.852 1.813 273 HA GLN 41 HA GLN 41 -12.991 -37.520 -0.476 274 1HB GLN 41 HB2 GLN 41 -11.570 -37.877 1.603 275 2HB GLN 41 HB3 GLN 41 -13.019 -38.562 2.354 276 1HG GLN 41 HG2 GLN 41 -13.115 -40.256 0.506 277 2HG GLN 41 HG3 GLN 41 -11.712 -39.494 -0.255 278 1HE2 GLN 41 1HE2 GLN 41 -10.128 -42.251 1.457 279 2HE2 GLN 41 2HE2 GLN 41 -11.014 -41.862 -0.019 280 H MET 42 H MET 42 -14.715 -38.046 -1.541 281 HA MET 42 HA MET 42 -17.365 -38.019 -0.301 282 1HB MET 42 HB2 MET 42 -16.712 -37.270 -2.699 283 2HB MET 42 HB3 MET 42 -16.759 -38.985 -3.118 284 1HG MET 42 HG2 MET 42 -18.970 -37.267 -1.912 285 2HG MET 42 HG3 MET 42 -18.900 -37.858 -3.574 286 1HE MET 42 HE1 MET 42 -21.363 -38.027 -1.424 287 2HE MET 42 HE2 MET 42 -22.007 -39.625 -1.870 288 3HE MET 42 HE3 MET 42 -21.489 -38.492 -3.144 289 H ARG 43 H ARG 43 -16.728 -39.577 1.308 290 HA ARG 43 HA ARG 43 -15.955 -42.269 0.752 291 1HB ARG 43 HB2 ARG 43 -17.117 -40.941 3.209 292 2HB ARG 43 HB3 ARG 43 -16.535 -42.617 3.185 293 1HG ARG 43 HG2 ARG 43 -14.304 -41.981 2.625 294 2HG ARG 43 HG3 ARG 43 -14.778 -40.309 2.294 295 1HD ARG 43 HD2 ARG 43 -15.382 -39.988 4.646 296 2HD ARG 43 HD3 ARG 43 -14.816 -41.633 5.026 297 HE ARG 43 HE ARG 43 -12.629 -40.703 3.818 298 1HH1 ARG 43 1HH1 ARG 43 -11.088 -39.253 4.224 299 2HH1 ARG 43 2HH1 ARG 43 -11.245 -38.038 5.491 300 1HH2 ARG 43 1HH2 ARG 43 -14.551 -39.072 6.313 301 2HH2 ARG 43 2HH2 ARG 43 -13.321 -37.878 6.648 302 H GLN 44 H GLN 44 -17.760 -42.416 -1.036 303 HA GLN 44 HA GLN 44 -20.372 -43.329 -0.058 304 1HB GLN 44 HB2 GLN 44 -20.736 -43.950 -2.428 305 2HB GLN 44 HB3 GLN 44 -20.322 -42.266 -2.198 306 1HG GLN 44 HG2 GLN 44 -18.435 -42.404 -3.445 307 2HG GLN 44 HG3 GLN 44 -17.900 -43.888 -2.655 308 1HE2 GLN 44 1HE2 GLN 44 -19.599 -46.118 -4.929 309 2HE2 GLN 44 2HE2 GLN 44 -19.354 -45.889 -3.208 310 H GLY 45 H GLY 45 -18.685 -44.736 1.428 311 1HA GLY 45 HA2 GLY 45 -18.268 -46.853 2.156 312 2HA GLY 45 HA3 GLY 45 -19.303 -47.468 0.864 313 H PHE 46 H PHE 46 -18.194 -47.310 -1.397 314 HA PHE 46 HA PHE 46 -15.591 -48.715 -1.155 315 1HB PHE 46 HB2 PHE 46 -16.103 -49.503 -3.460 316 2HB PHE 46 HB3 PHE 46 -17.116 -50.093 -2.159 317 HD1 PHE 46 HD1 PHE 46 -17.168 -48.680 -5.432 318 HD2 PHE 46 HD2 PHE 46 -19.450 -49.103 -1.796 319 HE1 PHE 46 HE1 PHE 46 -19.264 -48.363 -6.698 320 HE2 PHE 46 HE2 PHE 46 -21.530 -48.661 -3.054 321 HZ PHE 46 HZ PHE 46 -21.450 -48.322 -5.515 322 H PHE 47 H PHE 47 -16.928 -46.554 -3.771 323 HA PHE 47 HA PHE 47 -14.174 -45.783 -4.387 324 1HB PHE 47 HB2 PHE 47 -16.716 -44.582 -5.483 325 2HB PHE 47 HB3 PHE 47 -15.102 -44.424 -6.135 326 HD1 PHE 47 HD1 PHE 47 -14.149 -47.313 -6.033 327 HD2 PHE 47 HD2 PHE 47 -17.845 -45.498 -7.346 328 HE1 PHE 47 HE1 PHE 47 -14.486 -49.152 -7.641 329 HE2 PHE 47 HE2 PHE 47 -18.130 -47.312 -9.006 330 HZ PHE 47 HZ PHE 47 -16.474 -49.163 -9.133 331 H ALA 48 H ALA 48 -13.867 -45.084 -2.089 332 HA ALA 48 HA ALA 48 -14.939 -42.526 -1.255 333 1HB ALA 48 HB1 ALA 48 -14.239 -44.261 0.342 334 2HB ALA 48 HB2 ALA 48 -12.563 -44.132 -0.232 335 3HB ALA 48 HB3 ALA 48 -13.330 -42.760 0.594 336 H VAL 49 H VAL 49 -14.349 -41.676 -3.549 337 HA VAL 49 HA VAL 49 -11.569 -41.006 -3.976 338 HB VAL 49 HB VAL 49 -12.433 -39.644 -5.895 339 1HG1 VAL 49 1HG1 VAL 49 -13.204 -42.572 -5.664 340 2HG1 VAL 49 2HG1 VAL 49 -12.956 -41.677 -7.186 341 3HG1 VAL 49 3HG1 VAL 49 -11.602 -41.909 -6.057 342 1HG2 VAL 49 1HG2 VAL 49 -14.719 -39.914 -6.640 343 2HG2 VAL 49 2HG2 VAL 49 -15.142 -40.890 -5.230 344 3HG2 VAL 49 3HG2 VAL 49 -14.736 -39.172 -5.032 345 H GLN 50 H GLN 50 -10.467 -39.167 -3.840 346 HA GLN 50 HA GLN 50 -11.527 -37.238 -1.945 347 1HB GLN 50 HB2 GLN 50 -9.390 -36.755 -1.354 348 2HB GLN 50 HB3 GLN 50 -9.251 -38.460 -1.817 349 1HG GLN 50 HG2 GLN 50 -8.431 -37.672 -4.092 350 2HG GLN 50 HG3 GLN 50 -8.491 -36.005 -3.476 351 1HE2 GLN 50 1HE2 GLN 50 -5.561 -38.492 -1.996 352 2HE2 GLN 50 2HE2 GLN 50 -7.039 -39.213 -2.611 353 H GLN 51 H GLN 51 -11.319 -34.918 -2.267 354 HA GLN 51 HA GLN 51 -10.693 -33.982 -4.986 355 1HB GLN 51 HB2 GLN 51 -13.145 -32.725 -3.818 356 2HB GLN 51 HB3 GLN 51 -12.626 -32.910 -5.479 357 1HG GLN 51 HG2 GLN 51 -14.455 -34.255 -5.470 358 2HG GLN 51 HG3 GLN 51 -13.255 -35.483 -5.113 359 1HE2 GLN 51 1HE2 GLN 51 -14.915 -36.122 -1.971 360 2HE2 GLN 51 2HE2 GLN 51 -13.727 -36.740 -3.106 361 H THR 52 H THR 52 -10.025 -31.684 -4.927 362 HA THR 52 HA THR 52 -8.729 -30.954 -2.501 363 HB THR 52 HB THR 52 -9.528 -29.145 -4.833 364 HG1 THR 52 HG1 THR 52 -7.381 -30.998 -4.664 365 1HG2 THR 52 1HG2 THR 52 -7.334 -28.083 -4.381 366 2HG2 THR 52 2HG2 THR 52 -8.399 -27.995 -2.968 367 3HG2 THR 52 3HG2 THR 52 -7.075 -29.185 -3.011 368 H CYS 53 H CYS 53 -9.543 -29.703 -0.721 369 HA CYS 53 HA CYS 53 -12.358 -29.189 -0.634 370 1HB CYS 53 HB2 CYS 53 -10.993 -29.707 1.336 371 2HB CYS 53 HB3 CYS 53 -10.138 -28.169 1.152 372 HA PRO 54 HA PRO 54 -11.748 -25.224 -2.794 373 1HB PRO 54 HB2 PRO 54 -14.331 -24.388 -3.035 374 2HB PRO 54 HB3 PRO 54 -13.637 -25.722 -4.003 375 1HG PRO 54 HG2 PRO 54 -15.303 -25.961 -1.483 376 2HG PRO 54 HG3 PRO 54 -15.516 -26.829 -3.028 377 1HD PRO 54 HD2 PRO 54 -14.182 -27.931 -0.924 378 2HD PRO 54 HD3 PRO 54 -13.673 -28.231 -2.611 379 H HIS 55 H HIS 55 -13.798 -25.574 0.100 380 HA HIS 55 HA HIS 55 -14.180 -23.041 0.974 381 1HB HIS 55 HB2 HIS 55 -14.923 -25.209 2.031 382 2HB HIS 55 HB3 HIS 55 -13.330 -25.323 2.794 383 HD1 HIS 55 HD1 HIS 55 -13.680 -21.887 3.279 384 HD2 HIS 55 HD2 HIS 55 -15.809 -25.247 4.666 385 HE1 HIS 55 HE1 HIS 55 -14.936 -21.150 5.387 386 H CYS 56 H CYS 56 -11.117 -24.809 1.222 387 HA CYS 56 HA CYS 56 -9.735 -22.307 2.134 388 1HB CYS 56 HB2 CYS 56 -8.208 -23.813 3.413 389 2HB CYS 56 HB3 CYS 56 -9.831 -23.666 4.067 390 H GLN 57 H GLN 57 -10.224 -23.559 -0.575 391 HA GLN 57 HA GLN 57 -9.076 -24.223 -2.442 392 1HB GLN 57 HB2 GLN 57 -7.213 -22.088 -1.317 393 2HB GLN 57 HB3 GLN 57 -7.247 -22.621 -3.003 394 1HG GLN 57 HG2 GLN 57 -9.614 -21.315 -1.575 395 2HG GLN 57 HG3 GLN 57 -8.446 -20.486 -2.600 396 1HE2 GLN 57 1HE2 GLN 57 -11.436 -22.600 -4.367 397 2HE2 GLN 57 2HE2 GLN 57 -11.287 -22.567 -2.613 398 H GLY 58 H GLY 58 -8.635 -26.198 -0.681 399 1HA GLY 58 HA2 GLY 58 -7.289 -28.042 -0.495 400 2HA GLY 58 HA3 GLY 58 -6.148 -27.306 -1.615 401 H ARG 59 H ARG 59 -6.240 -24.984 0.739 402 HA ARG 59 HA ARG 59 -3.700 -25.862 1.809 403 1HB ARG 59 HB2 ARG 59 -5.411 -23.455 2.559 404 2HB ARG 59 HB3 ARG 59 -3.723 -23.751 2.993 405 1HG ARG 59 HG2 ARG 59 -3.182 -23.868 0.518 406 2HG ARG 59 HG3 ARG 59 -4.832 -23.355 0.171 407 1HD ARG 59 HD2 ARG 59 -3.256 -21.429 0.116 408 2HD ARG 59 HD3 ARG 59 -4.533 -21.253 1.318 409 HE ARG 59 HE ARG 59 -2.978 -21.117 2.952 410 1HH1 ARG 59 1HH1 ARG 59 -0.971 -21.332 4.012 411 2HH1 ARG 59 2HH1 ARG 59 0.277 -22.315 3.302 412 1HH2 ARG 59 1HH2 ARG 59 -1.440 -22.791 0.249 413 2HH2 ARG 59 2HH2 ARG 59 0.087 -22.996 1.074 414 H GLY 60 H GLY 60 -6.843 -26.630 2.780 415 1HA GLY 60 HA2 GLY 60 -7.675 -27.713 4.637 416 2HA GLY 60 HA3 GLY 60 -6.008 -28.021 5.115 417 H THR 61 H THR 61 -6.276 -24.678 4.882 418 HA THR 61 HA THR 61 -6.891 -24.367 7.772 419 HB THR 61 HB THR 61 -5.121 -22.449 7.312 420 HG1 THR 61 HG1 THR 61 -4.257 -24.467 5.499 421 1HG2 THR 61 1HG2 THR 61 -3.337 -23.983 8.088 422 2HG2 THR 61 2HG2 THR 61 -4.851 -24.224 8.981 423 3HG2 THR 61 3HG2 THR 61 -4.375 -25.377 7.711 424 H LEU 62 H LEU 62 -8.333 -22.935 8.258 425 HA LEU 62 HA LEU 62 -9.639 -21.248 6.226 426 1HB LEU 62 HB2 LEU 62 -10.147 -21.616 9.204 427 2HB LEU 62 HB3 LEU 62 -11.154 -20.683 8.100 428 HG LEU 62 HG LEU 62 -10.660 -23.692 7.870 429 1HD1 LEU 62 1HD1 LEU 62 -11.887 -23.143 9.921 430 2HD1 LEU 62 2HD1 LEU 62 -13.018 -22.127 9.002 431 3HD1 LEU 62 3HD1 LEU 62 -12.980 -23.885 8.740 432 1HD2 LEU 62 1HD2 LEU 62 -12.650 -23.580 6.348 433 2HD2 LEU 62 2HD2 LEU 62 -12.597 -21.805 6.459 434 3HD2 LEU 62 3HD2 LEU 62 -11.264 -22.698 5.699 435 H ILE 63 H ILE 63 -8.470 -19.532 5.729 436 HA ILE 63 HA ILE 63 -6.587 -18.230 7.481 437 HB ILE 63 HB ILE 63 -7.709 -17.267 4.829 438 1HG1 ILE 63 2HG1 ILE 63 -6.828 -19.505 4.439 439 2HG1 ILE 63 3HG1 ILE 63 -5.807 -18.267 3.724 440 1HG2 ILE 63 1HG2 ILE 63 -6.527 -15.533 5.985 441 2HG2 ILE 63 2HG2 ILE 63 -5.186 -16.605 6.407 442 3HG2 ILE 63 3HG2 ILE 63 -5.452 -16.141 4.713 443 1HD1 ILE 63 1HD1 ILE 63 -4.205 -18.484 5.618 444 2HD1 ILE 63 2HD1 ILE 63 -5.217 -19.787 6.292 445 3HD1 ILE 63 3HD1 ILE 63 -4.430 -19.990 4.720 446 H LYS 64 H LYS 64 -8.146 -18.013 9.207 447 HA LYS 64 HA LYS 64 -10.429 -16.640 9.479 448 1HB LYS 64 HB2 LYS 64 -9.154 -17.751 11.263 449 2HB LYS 64 HB3 LYS 64 -7.983 -16.423 11.291 450 1HG LYS 64 HG2 LYS 64 -9.758 -14.864 12.038 451 2HG LYS 64 HG3 LYS 64 -10.956 -16.173 11.947 452 1HD LYS 64 HD2 LYS 64 -9.691 -17.455 13.654 453 2HD LYS 64 HD3 LYS 64 -8.454 -16.186 13.706 454 1HE LYS 64 HE2 LYS 64 -10.154 -14.555 14.499 455 2HE LYS 64 HE3 LYS 64 -11.397 -15.821 14.444 456 1HZ LYS 64 HZ1 LYS 64 -10.141 -17.033 16.073 457 2HZ LYS 64 HZ2 LYS 64 -8.988 -15.856 16.123 458 3HZ LYS 64 HZ3 LYS 64 -10.521 -15.531 16.634 459 H ASP 65 H ASP 65 -7.233 -15.025 9.482 460 HA ASP 65 HA ASP 65 -8.418 -12.504 8.517 461 1HB ASP 65 HB2 ASP 65 -7.014 -11.241 10.161 462 2HB ASP 65 HB3 ASP 65 -8.481 -12.011 10.758 463 HA PRO 66 HA PRO 66 -4.892 -13.967 6.118 464 1HB PRO 66 HB2 PRO 66 -5.236 -12.475 3.817 465 2HB PRO 66 HB3 PRO 66 -6.187 -13.926 4.226 466 1HG PRO 66 HG2 PRO 66 -6.927 -11.043 4.728 467 2HG PRO 66 HG3 PRO 66 -7.931 -12.319 3.975 468 1HD PRO 66 HD2 PRO 66 -8.200 -11.668 6.560 469 2HD PRO 66 HD3 PRO 66 -8.271 -13.394 6.087 470 H CYS 67 H CYS 67 -2.876 -13.497 5.774 471 HA CYS 67 HA CYS 67 -1.721 -11.001 6.726 472 1HB CYS 67 HB2 CYS 67 -0.759 -13.208 7.162 473 2HB CYS 67 HB3 CYS 67 -0.567 -13.491 5.436 474 H ASN 68 H ASN 68 -2.454 -9.448 5.335 475 HA ASN 68 HA ASN 68 -2.839 -9.318 2.657 476 1HB ASN 68 HB2 ASN 68 -2.445 -6.948 2.755 477 2HB ASN 68 HB3 ASN 68 -3.275 -7.470 4.226 478 1HD2 ASN 68 1HD2 ASN 68 -0.386 -5.086 4.981 479 2HD2 ASN 68 2HD2 ASN 68 -1.688 -4.999 3.810 480 H LYS 69 H LYS 69 0.329 -8.909 4.214 481 HA LYS 69 HA LYS 69 2.034 -8.216 2.208 482 1HB LYS 69 HB2 LYS 69 2.640 -8.603 4.547 483 2HB LYS 69 HB3 LYS 69 2.506 -10.354 4.308 484 1HG LYS 69 HG2 LYS 69 4.353 -10.319 2.695 485 2HG LYS 69 HG3 LYS 69 4.446 -8.550 2.794 486 1HD LYS 69 HD2 LYS 69 5.025 -8.680 5.179 487 2HD LYS 69 HD3 LYS 69 4.851 -10.442 5.158 488 1HE LYS 69 HE2 LYS 69 6.886 -8.874 3.496 489 2HE LYS 69 HE3 LYS 69 7.236 -9.644 5.050 490 1HZ LYS 69 HZ1 LYS 69 6.648 -11.748 4.086 491 2HZ LYS 69 HZ2 LYS 69 6.357 -11.039 2.626 492 3HZ LYS 69 HZ3 LYS 69 7.877 -11.034 3.253 493 H CYS 70 H CYS 70 0.625 -11.466 2.652 494 HA CYS 70 HA CYS 70 1.794 -12.339 0.014 495 1HB CYS 70 HB2 CYS 70 1.834 -14.604 1.000 496 2HB CYS 70 HB3 CYS 70 2.919 -13.496 1.838 497 H HIS 71 H HIS 71 -0.806 -11.028 0.878 498 HA HIS 71 HA HIS 71 -3.054 -11.231 0.636 499 1HB HIS 71 HB2 HIS 71 -2.219 -12.899 -1.764 500 2HB HIS 71 HB3 HIS 71 -3.757 -12.059 -1.553 501 HD1 HIS 71 HD1 HIS 71 -1.430 -9.540 -0.388 502 HD2 HIS 71 HD2 HIS 71 -2.419 -11.255 -4.110 503 HE1 HIS 71 HE1 HIS 71 -0.689 -7.892 -2.173 504 H GLY 72 H GLY 72 -2.070 -13.082 2.540 505 1HA GLY 72 HA2 GLY 72 -2.978 -14.744 3.788 506 2HA GLY 72 HA3 GLY 72 -4.329 -14.866 2.669 507 H HIS 73 H HIS 73 -1.576 -15.407 0.726 508 HA HIS 73 HA HIS 73 -2.182 -18.221 0.592 509 1HB HIS 73 HB2 HIS 73 -1.502 -16.731 -1.301 510 2HB HIS 73 HB3 HIS 73 0.132 -16.665 -0.626 511 HD1 HIS 73 HD1 HIS 73 -0.672 -20.108 -0.035 512 HD2 HIS 73 HD2 HIS 73 0.100 -17.724 -3.408 513 HE1 HIS 73 HE1 HIS 73 -0.021 -21.714 -1.926 514 H GLY 74 H GLY 74 0.216 -16.302 2.200 515 1HA GLY 74 HA2 GLY 74 1.469 -16.903 4.056 516 2HA GLY 74 HA3 GLY 74 1.238 -18.607 3.752 517 H ARG 75 H ARG 75 2.252 -16.848 0.921 518 HA ARG 75 HA ARG 75 5.088 -16.895 1.535 519 1HB ARG 75 HB2 ARG 75 5.651 -18.382 -0.364 520 2HB ARG 75 HB3 ARG 75 4.779 -19.199 0.920 521 1HG ARG 75 HG2 ARG 75 2.718 -18.330 -0.835 522 2HG ARG 75 HG3 ARG 75 4.044 -18.742 -1.908 523 1HD ARG 75 HD2 ARG 75 2.676 -20.689 -1.619 524 2HD ARG 75 HD3 ARG 75 4.161 -21.009 -0.737 525 HE ARG 75 HE ARG 75 1.480 -20.219 0.386 526 1HH1 ARG 75 1HH1 ARG 75 1.075 -20.391 2.499 527 2HH1 ARG 75 2HH1 ARG 75 2.268 -20.971 3.652 528 1HH2 ARG 75 1HH2 ARG 75 4.676 -21.614 1.098 529 2HH2 ARG 75 2HH2 ARG 75 4.405 -21.568 2.817 530 H VAL 76 H VAL 76 6.312 -15.717 0.000 531 HA VAL 76 HA VAL 76 4.641 -13.980 -1.791 532 HB VAL 76 HB VAL 76 6.318 -12.254 -1.501 533 1HG1 VAL 76 1HG1 VAL 76 5.257 -13.215 1.186 534 2HG1 VAL 76 2HG1 VAL 76 5.652 -11.551 0.711 535 3HG1 VAL 76 3HG1 VAL 76 4.289 -12.378 -0.052 536 1HG2 VAL 76 1HG2 VAL 76 8.333 -13.523 -0.920 537 2HG2 VAL 76 2HG2 VAL 76 7.963 -12.348 0.342 538 3HG2 VAL 76 3HG2 VAL 76 7.590 -14.058 0.610 539 H GLU 77 H GLU 77 5.092 -13.962 -3.912 540 HA GLU 77 HA GLU 77 7.112 -15.826 -4.920 541 1HB GLU 77 HB2 GLU 77 4.859 -15.812 -5.888 542 2HB GLU 77 HB3 GLU 77 5.046 -14.114 -6.367 543 1HG GLU 77 HG2 GLU 77 6.779 -14.638 -7.932 544 2HG GLU 77 HG3 GLU 77 6.985 -16.276 -7.295 545 H ARG 78 H ARG 78 9.140 -15.038 -4.727 546 HA ARG 78 HA ARG 78 9.769 -12.221 -5.248 547 1HB ARG 78 HB2 ARG 78 10.811 -13.606 -3.482 548 2HB ARG 78 HB3 ARG 78 11.543 -14.629 -4.720 549 1HG ARG 78 HG2 ARG 78 12.891 -12.723 -5.541 550 2HG ARG 78 HG3 ARG 78 12.030 -11.612 -4.453 551 1HD ARG 78 HD2 ARG 78 12.917 -12.735 -2.509 552 2HD ARG 78 HD3 ARG 78 13.642 -14.018 -3.521 553 HE ARG 78 HE ARG 78 14.666 -11.503 -4.339 554 1HH1 ARG 78 1HH1 ARG 78 16.754 -10.852 -3.671 555 2HH1 ARG 78 2HH1 ARG 78 17.513 -11.575 -2.278 556 1HH2 ARG 78 1HH2 ARG 78 14.780 -13.736 -1.584 557 2HH2 ARG 78 2HH2 ARG 78 16.369 -13.239 -1.071 558 H SER 79 H SER 79 8.564 -12.740 -7.461 559 HA SER 79 HA SER 79 10.463 -12.509 -9.557 560 1HB SER 79 HB2 SER 79 9.863 -14.596 -10.819 561 2HB SER 79 HB3 SER 79 10.832 -14.921 -9.382 562 HG SER 79 HG SER 79 8.938 -16.285 -9.670 Start of MODEL 10 1 H GLY 1 H GLY 1 22.321 -9.138 -5.310 2 1HA GLY 1 HA2 GLY 1 19.712 -8.567 -3.974 3 2HA GLY 1 HA3 GLY 1 20.310 -7.596 -5.328 4 H VAL 2 H VAL 2 20.225 -11.087 -4.624 5 HA VAL 2 HA VAL 2 19.814 -12.075 -7.181 6 HB VAL 2 HB VAL 2 20.436 -13.350 -5.149 7 1HG1 VAL 2 1HG1 VAL 2 18.765 -14.251 -3.637 8 2HG1 VAL 2 2HG1 VAL 2 18.753 -12.483 -3.559 9 3HG1 VAL 2 3HG1 VAL 2 17.478 -13.345 -4.443 10 1HG2 VAL 2 1HG2 VAL 2 19.770 -14.516 -7.215 11 2HG2 VAL 2 2HG2 VAL 2 19.325 -15.436 -5.766 12 3HG2 VAL 2 3HG2 VAL 2 18.084 -14.547 -6.666 13 H THR 3 H THR 3 17.452 -10.700 -4.969 14 HA THR 3 HA THR 3 14.990 -11.493 -5.966 15 HB THR 3 HB THR 3 14.459 -9.076 -5.040 16 HG1 THR 3 HG1 THR 3 16.214 -8.239 -3.870 17 1HG2 THR 3 1HG2 THR 3 15.879 -11.206 -3.354 18 2HG2 THR 3 2HG2 THR 3 14.890 -9.878 -2.704 19 3HG2 THR 3 3HG2 THR 3 14.137 -11.121 -3.714 20 H LYS 4 H LYS 4 17.316 -9.144 -7.342 21 HA LYS 4 HA LYS 4 15.436 -7.905 -9.138 22 1HB LYS 4 HB2 LYS 4 18.443 -8.250 -9.381 23 2HB LYS 4 HB3 LYS 4 17.439 -7.146 -10.338 24 1HG LYS 4 HG2 LYS 4 16.728 -6.034 -8.167 25 2HG LYS 4 HG3 LYS 4 17.954 -6.989 -7.333 26 1HD LYS 4 HD2 LYS 4 18.361 -4.914 -9.531 27 2HD LYS 4 HD3 LYS 4 18.874 -4.799 -7.846 28 1HE LYS 4 HE2 LYS 4 20.002 -6.663 -9.994 29 2HE LYS 4 HE3 LYS 4 20.801 -5.274 -9.257 30 1HZ LYS 4 HZ1 LYS 4 21.535 -7.328 -8.314 31 2HZ LYS 4 HZ2 LYS 4 20.774 -6.418 -7.171 32 3HZ LYS 4 HZ3 LYS 4 20.007 -7.721 -7.832 33 H GLU 5 H GLU 5 17.240 -10.957 -9.253 34 HA GLU 5 HA GLU 5 16.945 -11.272 -12.135 35 1HB GLU 5 HB2 GLU 5 17.769 -13.372 -10.104 36 2HB GLU 5 HB3 GLU 5 18.082 -13.338 -11.843 37 1HG GLU 5 HG2 GLU 5 19.288 -11.534 -9.697 38 2HG GLU 5 HG3 GLU 5 20.116 -12.715 -10.708 39 H ILE 6 H ILE 6 14.510 -10.716 -11.512 40 HA ILE 6 HA ILE 6 12.833 -12.860 -10.694 41 HB ILE 6 HB ILE 6 10.992 -11.543 -11.589 42 1HG1 ILE 6 2HG1 ILE 6 13.118 -9.729 -12.840 43 2HG1 ILE 6 3HG1 ILE 6 12.021 -10.803 -13.722 44 1HG2 ILE 6 1HG2 ILE 6 13.015 -9.646 -10.337 45 2HG2 ILE 6 2HG2 ILE 6 11.251 -9.678 -10.117 46 3HG2 ILE 6 3HG2 ILE 6 12.255 -10.978 -9.450 47 1HD1 ILE 6 1HD1 ILE 6 11.211 -8.391 -12.056 48 2HD1 ILE 6 2HD1 ILE 6 11.149 -8.562 -13.817 49 3HD1 ILE 6 3HD1 ILE 6 10.074 -9.542 -12.799 50 H ARG 7 H ARG 7 14.541 -12.433 -13.530 51 HA ARG 7 HA ARG 7 13.031 -13.834 -15.460 52 1HB ARG 7 HB2 ARG 7 16.037 -13.824 -15.003 53 2HB ARG 7 HB3 ARG 7 15.242 -14.268 -16.522 54 1HG ARG 7 HG2 ARG 7 14.388 -11.975 -16.793 55 2HG ARG 7 HG3 ARG 7 15.117 -11.480 -15.258 56 1HD ARG 7 HD2 ARG 7 16.630 -12.398 -17.735 57 2HD ARG 7 HD3 ARG 7 16.508 -10.768 -17.104 58 HE ARG 7 HE ARG 7 17.892 -11.242 -15.291 59 1HH1 ARG 7 1HH1 ARG 7 19.634 -12.321 -14.353 60 2HH1 ARG 7 2HH1 ARG 7 20.153 -13.874 -14.958 61 1HH2 ARG 7 1HH2 ARG 7 17.549 -14.120 -17.340 62 2HH2 ARG 7 2HH2 ARG 7 18.943 -14.914 -16.667 63 H ILE 8 H ILE 8 14.817 -14.855 -12.738 64 HA ILE 8 HA ILE 8 14.092 -17.725 -13.177 65 HB ILE 8 HB ILE 8 16.367 -17.637 -13.649 66 1HG1 ILE 8 2HG1 ILE 8 16.138 -18.601 -10.769 67 2HG1 ILE 8 3HG1 ILE 8 15.466 -19.444 -12.172 68 1HG2 ILE 8 1HG2 ILE 8 16.996 -15.448 -12.662 69 2HG2 ILE 8 2HG2 ILE 8 16.997 -16.185 -11.046 70 3HG2 ILE 8 3HG2 ILE 8 18.135 -16.726 -12.284 71 1HD1 ILE 8 1HD1 ILE 8 17.584 -20.439 -11.614 72 2HD1 ILE 8 2HD1 ILE 8 17.764 -19.581 -13.157 73 3HD1 ILE 8 3HD1 ILE 8 18.412 -18.877 -11.654 74 HA PRO 9 HA PRO 9 12.300 -15.834 -9.383 75 1HB PRO 9 HB2 PRO 9 9.827 -16.984 -9.441 76 2HB PRO 9 HB3 PRO 9 10.272 -15.597 -10.488 77 1HG PRO 9 HG2 PRO 9 10.278 -18.546 -11.185 78 2HG PRO 9 HG3 PRO 9 9.549 -17.206 -12.122 79 1HD PRO 9 HD2 PRO 9 12.007 -18.236 -12.684 80 2HD PRO 9 HD3 PRO 9 11.668 -16.496 -12.893 81 H THR 10 H THR 10 11.030 -16.947 -7.512 82 HA THR 10 HA THR 10 11.253 -19.736 -7.102 83 HB THR 10 HB THR 10 12.863 -18.202 -5.042 84 HG1 THR 10 HG1 THR 10 13.820 -18.978 -7.579 85 1HG2 THR 10 1HG2 THR 10 13.021 -20.991 -6.258 86 2HG2 THR 10 2HG2 THR 10 14.014 -20.401 -4.905 87 3HG2 THR 10 3HG2 THR 10 12.260 -20.582 -4.702 88 H LEU 11 H LEU 11 10.199 -20.177 -4.886 89 HA LEU 11 HA LEU 11 8.460 -17.892 -4.053 90 1HB LEU 11 HB2 LEU 11 7.964 -20.883 -3.857 91 2HB LEU 11 HB3 LEU 11 6.897 -19.603 -3.270 92 HG LEU 11 HG LEU 11 7.608 -20.166 -6.184 93 1HD1 LEU 11 1HD1 LEU 11 6.017 -21.756 -5.134 94 2HD1 LEU 11 2HD1 LEU 11 4.986 -20.390 -4.649 95 3HD1 LEU 11 3HD1 LEU 11 5.233 -20.754 -6.369 96 1HD2 LEU 11 1HD2 LEU 11 7.310 -17.781 -6.037 97 2HD2 LEU 11 2HD2 LEU 11 5.796 -18.441 -6.647 98 3HD2 LEU 11 3HD2 LEU 11 5.913 -17.951 -4.944 99 H GLU 12 H GLU 12 8.301 -17.454 -1.882 100 HA GLU 12 HA GLU 12 10.091 -18.899 0.014 101 1HB GLU 12 HB2 GLU 12 9.707 -15.882 -0.277 102 2HB GLU 12 HB3 GLU 12 10.686 -16.703 0.952 103 1HG GLU 12 HG2 GLU 12 12.134 -17.640 -0.871 104 2HG GLU 12 HG3 GLU 12 11.192 -16.731 -2.065 105 H GLU 13 H GLU 13 9.166 -19.170 2.044 106 HA GLU 13 HA GLU 13 6.308 -18.821 2.230 107 1HB GLU 13 HB2 GLU 13 6.420 -20.051 4.183 108 2HB GLU 13 HB3 GLU 13 7.682 -20.743 3.182 109 1HG GLU 13 HG2 GLU 13 8.033 -18.846 5.558 110 2HG GLU 13 HG3 GLU 13 8.404 -20.565 5.505 111 H CYS 14 H CYS 14 5.146 -17.284 3.479 112 HA CYS 14 HA CYS 14 6.620 -14.821 4.069 113 1HB CYS 14 HB2 CYS 14 4.373 -14.781 3.082 114 2HB CYS 14 HB3 CYS 14 3.760 -15.595 4.519 115 H ASP 15 H ASP 15 8.029 -15.343 5.711 116 HA ASP 15 HA ASP 15 7.720 -16.873 7.986 117 1HB ASP 15 HB2 ASP 15 9.559 -15.660 8.927 118 2HB ASP 15 HB3 ASP 15 9.840 -15.800 7.188 119 H VAL 16 H VAL 16 6.641 -13.552 7.462 120 HA VAL 16 HA VAL 16 5.924 -12.801 10.065 121 HB VAL 16 HB VAL 16 4.629 -12.074 7.405 122 1HG1 VAL 16 1HG1 VAL 16 4.412 -10.748 10.125 123 2HG1 VAL 16 2HG1 VAL 16 3.895 -10.014 8.589 124 3HG1 VAL 16 3HG1 VAL 16 3.100 -11.478 9.164 125 1HG2 VAL 16 1HG2 VAL 16 6.834 -10.765 9.059 126 2HG2 VAL 16 2HG2 VAL 16 7.006 -11.477 7.440 127 3HG2 VAL 16 3HG2 VAL 16 6.042 -10.014 7.666 128 H CYS 17 H CYS 17 4.088 -14.855 7.746 129 HA CYS 17 HA CYS 17 2.106 -15.409 9.952 130 1HB CYS 17 HB2 CYS 17 0.666 -16.292 8.216 131 2HB CYS 17 HB3 CYS 17 0.972 -14.553 8.096 132 H HIS 18 H HIS 18 4.934 -16.442 9.362 133 HA HIS 18 HA HIS 18 6.068 -18.362 9.524 134 1HB HIS 18 HB2 HIS 18 3.625 -19.561 10.818 135 2HB HIS 18 HB3 HIS 18 5.325 -19.774 11.254 136 HD1 HIS 18 HD1 HIS 18 5.881 -16.488 11.417 137 HD2 HIS 18 HD2 HIS 18 2.570 -18.579 12.958 138 HE1 HIS 18 HE1 HIS 18 4.810 -14.980 13.163 139 H GLY 19 H GLY 19 4.697 -17.936 7.066 140 1HA GLY 19 HA2 GLY 19 4.456 -19.060 5.105 141 2HA GLY 19 HA3 GLY 19 4.925 -20.560 5.913 142 H SER 20 H SER 20 2.172 -19.175 7.511 143 HA SER 20 HA SER 20 0.498 -21.293 6.317 144 1HB SER 20 HB2 SER 20 -1.092 -20.780 8.017 145 2HB SER 20 HB3 SER 20 0.493 -21.012 8.745 146 HG SER 20 HG SER 20 0.649 -18.804 9.069 147 H GLY 21 H GLY 21 -0.284 -17.987 7.173 148 1HA GLY 21 HA2 GLY 21 -0.744 -16.543 4.949 149 2HA GLY 21 HA3 GLY 21 -2.103 -17.652 4.860 150 H ALA 22 H ALA 22 -2.008 -17.580 8.074 151 HA ALA 22 HA ALA 22 -3.831 -15.261 8.226 152 1HB ALA 22 HB1 ALA 22 -4.348 -16.120 10.465 153 2HB ALA 22 HB2 ALA 22 -4.596 -17.343 9.211 154 3HB ALA 22 HB3 ALA 22 -3.145 -17.400 10.256 155 H LYS 23 H LYS 23 -3.577 -13.598 9.876 156 HA LYS 23 HA LYS 23 -1.076 -12.448 9.922 157 1HB LYS 23 HB2 LYS 23 -1.917 -10.922 11.647 158 2HB LYS 23 HB3 LYS 23 -3.161 -11.269 10.437 159 1HG LYS 23 HG2 LYS 23 -4.079 -13.018 11.993 160 2HG LYS 23 HG3 LYS 23 -2.929 -12.494 13.226 161 1HD LYS 23 HD2 LYS 23 -5.038 -10.696 11.945 162 2HD LYS 23 HD3 LYS 23 -5.217 -11.539 13.494 163 1HE LYS 23 HE2 LYS 23 -3.203 -10.324 14.366 164 2HE LYS 23 HE3 LYS 23 -3.131 -9.400 12.851 165 1HZ LYS 23 HZ1 LYS 23 -5.378 -9.425 14.732 166 2HZ LYS 23 HZ2 LYS 23 -4.275 -8.216 14.550 167 3HZ LYS 23 HZ3 LYS 23 -5.315 -8.573 13.322 168 HA PRO 24 HA PRO 24 1.829 -14.398 12.470 169 1HB PRO 24 HB2 PRO 24 2.419 -12.234 14.329 170 2HB PRO 24 HB3 PRO 24 3.348 -12.804 12.930 171 1HG PRO 24 HG2 PRO 24 1.333 -10.605 13.124 172 2HG PRO 24 HG3 PRO 24 2.730 -10.724 12.017 173 1HD PRO 24 HD2 PRO 24 0.236 -11.082 11.124 174 2HD PRO 24 HD3 PRO 24 1.513 -12.184 10.548 175 H GLY 25 H GLY 25 1.878 -15.775 14.177 176 1HA GLY 25 HA2 GLY 25 1.398 -16.751 16.177 177 2HA GLY 25 HA3 GLY 25 0.713 -15.230 16.760 178 H THR 26 H THR 26 -1.396 -14.765 15.128 179 HA THR 26 HA THR 26 -3.346 -16.682 16.083 180 HB THR 26 HB THR 26 -3.892 -14.406 14.156 181 HG1 THR 26 HG1 THR 26 -2.651 -13.575 15.871 182 1HG2 THR 26 1HG2 THR 26 -6.020 -14.332 15.414 183 2HG2 THR 26 2HG2 THR 26 -5.762 -15.955 14.739 184 3HG2 THR 26 3HG2 THR 26 -5.468 -15.648 16.467 185 H GLN 27 H GLN 27 -2.461 -18.523 15.048 186 HA GLN 27 HA GLN 27 -2.120 -18.899 12.341 187 1HB GLN 27 HB2 GLN 27 -2.072 -21.240 12.795 188 2HB GLN 27 HB3 GLN 27 -1.445 -20.434 14.226 189 1HG GLN 27 HG2 GLN 27 -4.258 -21.612 13.908 190 2HG GLN 27 HG3 GLN 27 -2.901 -22.339 14.750 191 1HE2 GLN 27 1HE2 GLN 27 -5.014 -19.338 16.601 192 2HE2 GLN 27 2HE2 GLN 27 -5.166 -19.554 14.857 193 HA PRO 28 HA PRO 28 -6.056 -19.008 10.341 194 1HB PRO 28 HB2 PRO 28 -5.385 -21.729 9.287 195 2HB PRO 28 HB3 PRO 28 -5.941 -20.299 8.360 196 1HG PRO 28 HG2 PRO 28 -3.345 -21.067 8.285 197 2HG PRO 28 HG3 PRO 28 -3.740 -19.334 8.454 198 1HD PRO 28 HD2 PRO 28 -2.961 -21.299 10.615 199 2HD PRO 28 HD3 PRO 28 -2.384 -19.633 10.344 200 H GLN 29 H GLN 29 -8.129 -20.319 10.007 201 HA GLN 29 HA GLN 29 -8.646 -21.976 12.437 202 1HB GLN 29 HB2 GLN 29 -10.497 -20.749 10.362 203 2HB GLN 29 HB3 GLN 29 -11.010 -21.772 11.717 204 1HG GLN 29 HG2 GLN 29 -9.966 -20.159 13.302 205 2HG GLN 29 HG3 GLN 29 -9.545 -19.101 11.943 206 1HE2 GLN 29 1HE2 GLN 29 -12.835 -18.063 13.543 207 2HE2 GLN 29 2HE2 GLN 29 -11.257 -18.417 14.225 208 H THR 30 H THR 30 -8.459 -24.198 12.260 209 HA THR 30 HA THR 30 -7.760 -25.574 10.001 210 HB THR 30 HB THR 30 -9.537 -26.724 12.198 211 HG1 THR 30 HG1 THR 30 -7.612 -26.730 13.473 212 1HG2 THR 30 1HG2 THR 30 -7.960 -28.624 12.044 213 2HG2 THR 30 2HG2 THR 30 -8.689 -28.280 10.466 214 3HG2 THR 30 3HG2 THR 30 -7.021 -27.762 10.808 215 H CYS 31 H CYS 31 -8.912 -26.161 8.102 216 HA CYS 31 HA CYS 31 -11.663 -25.447 7.840 217 1HB CYS 31 HB2 CYS 31 -10.105 -25.605 5.938 218 2HB CYS 31 HB3 CYS 31 -10.006 -27.349 6.180 219 HA PRO 32 HA PRO 32 -12.938 -29.171 10.052 220 1HB PRO 32 HB2 PRO 32 -15.638 -28.855 10.107 221 2HB PRO 32 HB3 PRO 32 -14.499 -27.857 11.068 222 1HG PRO 32 HG2 PRO 32 -15.748 -27.136 8.398 223 2HG PRO 32 HG3 PRO 32 -15.710 -26.154 9.890 224 1HD PRO 32 HD2 PRO 32 -13.880 -25.825 7.907 225 2HD PRO 32 HD3 PRO 32 -13.412 -25.672 9.627 226 H THR 33 H THR 33 -14.429 -28.266 6.883 227 HA THR 33 HA THR 33 -15.689 -30.545 6.166 228 HB THR 33 HB THR 33 -13.916 -29.023 4.245 229 HG1 THR 33 HG1 THR 33 -16.305 -28.055 5.414 230 1HG2 THR 33 1HG2 THR 33 -15.441 -30.763 3.323 231 2HG2 THR 33 2HG2 THR 33 -16.825 -29.944 4.073 232 3HG2 THR 33 3HG2 THR 33 -15.897 -29.132 2.793 233 H CYS 34 H CYS 34 -12.174 -29.965 5.796 234 HA CYS 34 HA CYS 34 -11.728 -32.835 5.002 235 1HB CYS 34 HB2 CYS 34 -9.413 -31.984 4.498 236 2HB CYS 34 HB3 CYS 34 -10.682 -31.539 3.394 237 H HIS 35 H HIS 35 -12.048 -31.228 7.851 238 HA HIS 35 HA HIS 35 -11.136 -31.382 9.923 239 1HB HIS 35 HB2 HIS 35 -9.974 -34.059 9.049 240 2HB HIS 35 HB3 HIS 35 -10.376 -33.534 10.679 241 HD1 HIS 35 HD1 HIS 35 -13.403 -32.539 9.106 242 HD2 HIS 35 HD2 HIS 35 -11.520 -36.246 9.759 243 HE1 HIS 35 HE1 HIS 35 -15.220 -34.315 8.964 244 H GLY 36 H GLY 36 -9.693 -29.892 8.057 245 1HA GLY 36 HA2 GLY 36 -7.679 -28.799 7.919 246 2HA GLY 36 HA3 GLY 36 -7.024 -29.832 9.192 247 H SER 37 H SER 37 -8.050 -32.131 7.084 248 HA SER 37 HA SER 37 -5.418 -32.704 6.215 249 1HB SER 37 HB2 SER 37 -7.908 -34.082 5.191 250 2HB SER 37 HB3 SER 37 -6.281 -34.739 5.479 251 HG SER 37 HG SER 37 -8.283 -34.031 7.330 252 H GLY 38 H GLY 38 -7.241 -30.384 4.806 253 1HA GLY 38 HA2 GLY 38 -6.895 -29.228 2.839 254 2HA GLY 38 HA3 GLY 38 -5.641 -30.383 2.410 255 H GLN 39 H GLN 39 -7.646 -32.687 2.542 256 HA GLN 39 HA GLN 39 -9.251 -32.091 0.118 257 1HB GLN 39 HB2 GLN 39 -8.635 -34.450 -0.639 258 2HB GLN 39 HB3 GLN 39 -7.462 -33.155 -0.877 259 1HG GLN 39 HG2 GLN 39 -6.395 -35.225 -0.161 260 2HG GLN 39 HG3 GLN 39 -6.117 -33.920 0.989 261 1HE2 GLN 39 1HE2 GLN 39 -7.317 -35.922 3.628 262 2HE2 GLN 39 2HE2 GLN 39 -6.259 -34.609 3.083 263 H VAL 40 H VAL 40 -10.979 -33.429 -0.212 264 HA VAL 40 HA VAL 40 -12.253 -34.490 2.278 265 HB VAL 40 HB VAL 40 -14.331 -34.304 0.792 266 1HG1 VAL 40 1HG1 VAL 40 -14.650 -31.917 1.183 267 2HG1 VAL 40 2HG1 VAL 40 -13.912 -32.711 2.594 268 3HG1 VAL 40 3HG1 VAL 40 -12.912 -31.713 1.510 269 1HG2 VAL 40 1HG2 VAL 40 -13.019 -34.057 -1.352 270 2HG2 VAL 40 2HG2 VAL 40 -14.308 -32.858 -1.131 271 3HG2 VAL 40 3HG2 VAL 40 -12.619 -32.391 -0.873 272 H GLN 41 H GLN 41 -13.133 -36.606 2.145 273 HA GLN 41 HA GLN 41 -12.210 -38.221 -0.184 274 1HB GLN 41 HB2 GLN 41 -11.035 -38.659 1.906 275 2HB GLN 41 HB3 GLN 41 -12.564 -39.115 2.684 276 1HG GLN 41 HG2 GLN 41 -12.844 -40.992 1.171 277 2HG GLN 41 HG3 GLN 41 -11.558 -40.413 0.103 278 1HE2 GLN 41 1HE2 GLN 41 -10.488 -42.279 3.622 279 2HE2 GLN 41 2HE2 GLN 41 -12.079 -41.551 3.491 280 H MET 42 H MET 42 -13.862 -38.544 -1.477 281 HA MET 42 HA MET 42 -16.639 -38.802 -0.430 282 1HB MET 42 HB2 MET 42 -16.233 -37.044 -2.091 283 2HB MET 42 HB3 MET 42 -15.451 -38.208 -3.172 284 1HG MET 42 HG2 MET 42 -17.785 -37.606 -3.829 285 2HG MET 42 HG3 MET 42 -17.506 -39.331 -3.636 286 1HE MET 42 HE1 MET 42 -18.119 -36.749 -0.662 287 2HE MET 42 HE2 MET 42 -19.087 -36.116 -2.018 288 3HE MET 42 HE3 MET 42 -19.892 -36.798 -0.587 289 H ARG 43 H ARG 43 -17.801 -40.697 -0.822 290 HA ARG 43 HA ARG 43 -16.259 -42.984 -1.893 291 1HB ARG 43 HB2 ARG 43 -17.636 -42.991 0.323 292 2HB ARG 43 HB3 ARG 43 -19.024 -43.241 -0.749 293 1HG ARG 43 HG2 ARG 43 -17.801 -45.214 -1.748 294 2HG ARG 43 HG3 ARG 43 -16.451 -44.910 -0.644 295 1HD ARG 43 HD2 ARG 43 -17.804 -46.693 0.294 296 2HD ARG 43 HD3 ARG 43 -17.935 -45.260 1.310 297 HE ARG 43 HE ARG 43 -20.171 -45.073 0.805 298 1HH1 ARG 43 1HH1 ARG 43 -18.680 -47.400 -1.488 299 2HH1 ARG 43 2HH1 ARG 43 -20.180 -47.597 -2.359 300 1HH2 ARG 43 1HH2 ARG 43 -22.103 -46.625 -1.686 301 2HH2 ARG 43 2HH2 ARG 43 -22.120 -45.506 -0.342 302 H GLN 44 H GLN 44 -16.333 -43.083 -4.087 303 HA GLN 44 HA GLN 44 -18.514 -41.799 -5.559 304 1HB GLN 44 HB2 GLN 44 -17.279 -42.421 -7.588 305 2HB GLN 44 HB3 GLN 44 -16.405 -41.443 -6.421 306 1HG GLN 44 HG2 GLN 44 -14.822 -42.909 -7.282 307 2HG GLN 44 HG3 GLN 44 -15.149 -43.510 -5.675 308 1HE2 GLN 44 1HE2 GLN 44 -16.254 -45.708 -9.005 309 2HE2 GLN 44 2HE2 GLN 44 -16.045 -43.972 -9.138 310 H GLY 45 H GLY 45 -19.972 -43.383 -4.226 311 1HA GLY 45 HA2 GLY 45 -21.703 -44.887 -4.575 312 2HA GLY 45 HA3 GLY 45 -21.078 -45.256 -6.187 313 H PHE 46 H PHE 46 -18.476 -46.113 -5.552 314 HA PHE 46 HA PHE 46 -18.962 -48.640 -4.025 315 1HB PHE 46 HB2 PHE 46 -17.055 -48.139 -6.335 316 2HB PHE 46 HB3 PHE 46 -17.343 -49.656 -5.503 317 HD1 PHE 46 HD1 PHE 46 -18.668 -47.177 -7.904 318 HD2 PHE 46 HD2 PHE 46 -19.513 -50.867 -5.832 319 HE1 PHE 46 HE1 PHE 46 -20.562 -47.611 -9.440 320 HE2 PHE 46 HE2 PHE 46 -21.407 -51.293 -7.373 321 HZ PHE 46 HZ PHE 46 -21.936 -49.668 -9.179 322 H PHE 47 H PHE 47 -16.038 -46.846 -5.111 323 HA PHE 47 HA PHE 47 -14.743 -47.520 -2.540 324 1HB PHE 47 HB2 PHE 47 -13.480 -46.514 -5.095 325 2HB PHE 47 HB3 PHE 47 -12.701 -47.377 -3.774 326 HD1 PHE 47 HD1 PHE 47 -14.087 -47.723 -7.028 327 HD2 PHE 47 HD2 PHE 47 -13.818 -49.799 -3.253 328 HE1 PHE 47 HE1 PHE 47 -14.767 -49.829 -8.133 329 HE2 PHE 47 HE2 PHE 47 -14.493 -51.904 -4.371 330 HZ PHE 47 HZ PHE 47 -14.980 -51.922 -6.810 331 H ALA 48 H ALA 48 -13.142 -46.019 -1.698 332 HA ALA 48 HA ALA 48 -14.188 -43.289 -1.419 333 1HB ALA 48 HB1 ALA 48 -12.490 -43.158 0.350 334 2HB ALA 48 HB2 ALA 48 -13.539 -44.571 0.560 335 3HB ALA 48 HB3 ALA 48 -11.893 -44.769 -0.086 336 H VAL 49 H VAL 49 -13.344 -41.519 -2.520 337 HA VAL 49 HA VAL 49 -10.575 -41.650 -3.541 338 HB VAL 49 HB VAL 49 -11.437 -40.401 -5.554 339 1HG1 VAL 49 1HG1 VAL 49 -10.642 -42.718 -5.575 340 2HG1 VAL 49 2HG1 VAL 49 -12.290 -43.304 -5.251 341 3HG1 VAL 49 3HG1 VAL 49 -11.928 -42.461 -6.778 342 1HG2 VAL 49 1HG2 VAL 49 -14.142 -41.569 -4.771 343 2HG2 VAL 49 2HG2 VAL 49 -13.715 -39.847 -4.742 344 3HG2 VAL 49 3HG2 VAL 49 -13.746 -40.726 -6.279 345 H GLN 50 H GLN 50 -9.572 -39.650 -3.653 346 HA GLN 50 HA GLN 50 -10.750 -37.691 -1.791 347 1HB GLN 50 HB2 GLN 50 -7.928 -38.398 -2.581 348 2HB GLN 50 HB3 GLN 50 -8.324 -36.932 -1.646 349 1HG GLN 50 HG2 GLN 50 -9.445 -38.241 0.066 350 2HG GLN 50 HG3 GLN 50 -9.210 -39.739 -0.857 351 1HE2 GLN 50 1HE2 GLN 50 -6.483 -40.236 1.352 352 2HE2 GLN 50 2HE2 GLN 50 -8.162 -40.655 1.014 353 H GLN 51 H GLN 51 -10.841 -35.530 -2.175 354 HA GLN 51 HA GLN 51 -10.192 -34.519 -4.902 355 1HB GLN 51 HB2 GLN 51 -12.721 -33.693 -3.487 356 2HB GLN 51 HB3 GLN 51 -12.318 -33.538 -5.182 357 1HG GLN 51 HG2 GLN 51 -12.772 -35.879 -5.593 358 2HG GLN 51 HG3 GLN 51 -12.904 -36.246 -3.866 359 1HE2 GLN 51 1HE2 GLN 51 -16.079 -34.627 -3.383 360 2HE2 GLN 51 2HE2 GLN 51 -14.517 -34.818 -2.613 361 H THR 52 H THR 52 -9.425 -32.325 -4.780 362 HA THR 52 HA THR 52 -8.383 -31.391 -2.363 363 HB THR 52 HB THR 52 -9.257 -29.729 -4.773 364 HG1 THR 52 HG1 THR 52 -7.183 -30.353 -5.587 365 1HG2 THR 52 1HG2 THR 52 -7.234 -28.407 -4.169 366 2HG2 THR 52 2HG2 THR 52 -8.405 -28.464 -2.836 367 3HG2 THR 52 3HG2 THR 52 -6.957 -29.498 -2.788 368 H CYS 53 H CYS 53 -9.259 -30.060 -0.667 369 HA CYS 53 HA CYS 53 -12.137 -29.746 -0.662 370 1HB CYS 53 HB2 CYS 53 -10.833 -30.227 1.366 371 2HB CYS 53 HB3 CYS 53 -10.044 -28.655 1.211 372 HA PRO 54 HA PRO 54 -11.581 -25.820 -2.887 373 1HB PRO 54 HB2 PRO 54 -14.183 -25.060 -3.212 374 2HB PRO 54 HB3 PRO 54 -13.431 -26.401 -4.123 375 1HG PRO 54 HG2 PRO 54 -15.139 -26.608 -1.629 376 2HG PRO 54 HG3 PRO 54 -15.299 -27.529 -3.150 377 1HD PRO 54 HD2 PRO 54 -13.984 -28.539 -0.996 378 2HD PRO 54 HD3 PRO 54 -13.416 -28.856 -2.659 379 H HIS 55 H HIS 55 -13.679 -26.075 -0.013 380 HA HIS 55 HA HIS 55 -14.101 -23.451 0.636 381 1HB HIS 55 HB2 HIS 55 -15.016 -25.486 1.763 382 2HB HIS 55 HB3 HIS 55 -13.481 -25.671 2.620 383 HD1 HIS 55 HD1 HIS 55 -13.793 -22.136 2.808 384 HD2 HIS 55 HD2 HIS 55 -15.887 -25.389 4.470 385 HE1 HIS 55 HE1 HIS 55 -15.040 -21.244 4.858 386 H CYS 56 H CYS 56 -11.141 -25.283 1.247 387 HA CYS 56 HA CYS 56 -9.747 -22.821 2.282 388 1HB CYS 56 HB2 CYS 56 -8.214 -24.406 3.374 389 2HB CYS 56 HB3 CYS 56 -9.862 -24.496 3.994 390 H GLN 57 H GLN 57 -10.231 -23.930 -0.566 391 HA GLN 57 HA GLN 57 -9.077 -24.372 -2.469 392 1HB GLN 57 HB2 GLN 57 -7.210 -22.281 -1.282 393 2HB GLN 57 HB3 GLN 57 -7.432 -22.668 -2.987 394 1HG GLN 57 HG2 GLN 57 -8.635 -20.673 -2.625 395 2HG GLN 57 HG3 GLN 57 -9.851 -21.941 -2.783 396 1HE2 GLN 57 1HE2 GLN 57 -11.256 -21.280 0.423 397 2HE2 GLN 57 2HE2 GLN 57 -11.366 -22.128 -1.102 398 H GLY 58 H GLY 58 -8.535 -26.411 -0.752 399 1HA GLY 58 HA2 GLY 58 -7.141 -28.210 -0.649 400 2HA GLY 58 HA3 GLY 58 -6.039 -27.411 -1.771 401 H ARG 59 H ARG 59 -6.114 -25.153 0.680 402 HA ARG 59 HA ARG 59 -3.512 -25.955 1.605 403 1HB ARG 59 HB2 ARG 59 -5.479 -23.961 2.789 404 2HB ARG 59 HB3 ARG 59 -3.765 -24.118 3.210 405 1HG ARG 59 HG2 ARG 59 -3.136 -23.511 0.880 406 2HG ARG 59 HG3 ARG 59 -4.852 -23.260 0.496 407 1HD ARG 59 HD2 ARG 59 -3.252 -21.796 2.652 408 2HD ARG 59 HD3 ARG 59 -3.729 -21.107 1.109 409 HE ARG 59 HE ARG 59 -5.416 -21.621 3.480 410 1HH1 ARG 59 1HH1 ARG 59 -7.634 -21.387 3.393 411 2HH1 ARG 59 2HH1 ARG 59 -8.393 -20.709 1.937 412 1HH2 ARG 59 1HH2 ARG 59 -5.435 -20.630 0.069 413 2HH2 ARG 59 2HH2 ARG 59 -7.170 -20.335 0.091 414 H GLY 60 H GLY 60 -6.719 -26.009 3.044 415 1HA GLY 60 HA2 GLY 60 -7.479 -27.767 4.592 416 2HA GLY 60 HA3 GLY 60 -5.837 -27.889 5.220 417 H THR 61 H THR 61 -5.882 -24.723 4.870 418 HA THR 61 HA THR 61 -6.965 -24.136 7.566 419 HB THR 61 HB THR 61 -5.202 -22.258 7.196 420 HG1 THR 61 HG1 THR 61 -4.998 -22.639 4.972 421 1HG2 THR 61 1HG2 THR 61 -4.245 -25.158 7.348 422 2HG2 THR 61 2HG2 THR 61 -3.348 -23.730 7.901 423 3HG2 THR 61 3HG2 THR 61 -4.848 -24.209 8.725 424 H LEU 62 H LEU 62 -8.486 -22.616 7.765 425 HA LEU 62 HA LEU 62 -9.365 -21.013 5.431 426 1HB LEU 62 HB2 LEU 62 -10.550 -21.323 8.211 427 2HB LEU 62 HB3 LEU 62 -11.240 -20.382 6.890 428 HG LEU 62 HG LEU 62 -10.804 -23.402 6.865 429 1HD1 LEU 62 1HD1 LEU 62 -13.315 -21.708 7.226 430 2HD1 LEU 62 2HD1 LEU 62 -13.290 -23.476 7.048 431 3HD1 LEU 62 3HD1 LEU 62 -12.538 -22.716 8.465 432 1HD2 LEU 62 1HD2 LEU 62 -12.233 -21.551 4.900 433 2HD2 LEU 62 2HD2 LEU 62 -10.738 -22.441 4.574 434 3HD2 LEU 62 3HD2 LEU 62 -12.233 -23.335 4.840 435 H ILE 63 H ILE 63 -8.334 -19.223 5.137 436 HA ILE 63 HA ILE 63 -6.774 -17.874 7.179 437 HB ILE 63 HB ILE 63 -7.481 -17.013 4.343 438 1HG1 ILE 63 2HG1 ILE 63 -6.439 -19.220 4.213 439 2HG1 ILE 63 3HG1 ILE 63 -5.393 -17.954 3.593 440 1HG2 ILE 63 1HG2 ILE 63 -5.295 -16.177 6.294 441 2HG2 ILE 63 2HG2 ILE 63 -5.303 -15.760 4.564 442 3HG2 ILE 63 3HG2 ILE 63 -6.597 -15.193 5.625 443 1HD1 ILE 63 1HD1 ILE 63 -4.076 -19.517 4.881 444 2HD1 ILE 63 2HD1 ILE 63 -4.128 -17.973 5.742 445 3HD1 ILE 63 3HD1 ILE 63 -5.133 -19.331 6.295 446 H LYS 64 H LYS 64 -8.780 -17.767 8.561 447 HA LYS 64 HA LYS 64 -10.971 -16.128 7.957 448 1HB LYS 64 HB2 LYS 64 -10.864 -17.684 9.856 449 2HB LYS 64 HB3 LYS 64 -9.630 -16.689 10.639 450 1HG LYS 64 HG2 LYS 64 -11.770 -16.314 11.691 451 2HG LYS 64 HG3 LYS 64 -11.257 -14.833 10.880 452 1HD LYS 64 HD2 LYS 64 -12.808 -15.317 8.994 453 2HD LYS 64 HD3 LYS 64 -13.209 -16.886 9.722 454 1HE LYS 64 HE2 LYS 64 -14.979 -15.267 10.168 455 2HE LYS 64 HE3 LYS 64 -14.189 -15.720 11.686 456 1HZ LYS 64 HZ1 LYS 64 -14.559 -13.361 11.500 457 2HZ LYS 64 HZ2 LYS 64 -12.946 -13.683 11.570 458 3HZ LYS 64 HZ3 LYS 64 -13.642 -13.282 10.132 459 H ASP 65 H ASP 65 -7.858 -15.341 9.457 460 HA ASP 65 HA ASP 65 -8.307 -12.395 9.280 461 1HB ASP 65 HB2 ASP 65 -6.801 -12.266 11.208 462 2HB ASP 65 HB3 ASP 65 -8.349 -13.045 11.531 463 HA PRO 66 HA PRO 66 -4.994 -13.793 6.381 464 1HB PRO 66 HB2 PRO 66 -5.280 -11.794 4.469 465 2HB PRO 66 HB3 PRO 66 -6.268 -13.275 4.531 466 1HG PRO 66 HG2 PRO 66 -6.940 -10.570 5.687 467 2HG PRO 66 HG3 PRO 66 -7.970 -11.616 4.662 468 1HD PRO 66 HD2 PRO 66 -8.268 -11.589 7.309 469 2HD PRO 66 HD3 PRO 66 -8.307 -13.161 6.461 470 H CYS 67 H CYS 67 -2.945 -13.379 6.168 471 HA CYS 67 HA CYS 67 -1.670 -11.162 7.546 472 1HB CYS 67 HB2 CYS 67 -0.721 -13.405 7.449 473 2HB CYS 67 HB3 CYS 67 -0.667 -13.349 5.692 474 H ASN 68 H ASN 68 -2.563 -9.374 6.478 475 HA ASN 68 HA ASN 68 -2.988 -8.746 3.888 476 1HB ASN 68 HB2 ASN 68 -3.436 -7.184 5.705 477 2HB ASN 68 HB3 ASN 68 -1.702 -6.953 5.978 478 1HD2 ASN 68 1HD2 ASN 68 -3.474 -5.159 2.710 479 2HD2 ASN 68 2HD2 ASN 68 -4.288 -6.505 3.487 480 H LYS 69 H LYS 69 0.252 -8.632 5.398 481 HA LYS 69 HA LYS 69 1.770 -7.450 3.442 482 1HB LYS 69 HB2 LYS 69 2.573 -8.238 5.662 483 2HB LYS 69 HB3 LYS 69 2.592 -9.902 5.042 484 1HG LYS 69 HG2 LYS 69 4.221 -9.192 3.270 485 2HG LYS 69 HG3 LYS 69 4.182 -7.544 3.920 486 1HD LYS 69 HD2 LYS 69 5.073 -8.386 6.080 487 2HD LYS 69 HD3 LYS 69 5.079 -10.043 5.427 488 1HE LYS 69 HE2 LYS 69 6.664 -9.326 3.639 489 2HE LYS 69 HE3 LYS 69 6.669 -7.683 4.306 490 1HZ LYS 69 HZ1 LYS 69 7.578 -8.580 6.327 491 2HZ LYS 69 HZ2 LYS 69 7.584 -10.102 5.695 492 3HZ LYS 69 HZ3 LYS 69 8.541 -8.936 5.039 493 H CYS 70 H CYS 70 0.666 -10.868 3.471 494 HA CYS 70 HA CYS 70 1.677 -11.182 0.649 495 1HB CYS 70 HB2 CYS 70 1.806 -13.549 1.093 496 2HB CYS 70 HB3 CYS 70 2.804 -12.666 2.248 497 H HIS 71 H HIS 71 -0.877 -9.999 1.759 498 HA HIS 71 HA HIS 71 -3.133 -10.105 1.503 499 1HB HIS 71 HB2 HIS 71 -2.289 -11.358 -1.135 500 2HB HIS 71 HB3 HIS 71 -3.854 -10.605 -0.802 501 HD1 HIS 71 HD1 HIS 71 -1.564 -8.282 0.792 502 HD2 HIS 71 HD2 HIS 71 -2.561 -9.327 -3.169 503 HE1 HIS 71 HE1 HIS 71 -0.873 -6.327 -0.677 504 H GLY 72 H GLY 72 -2.260 -12.200 3.138 505 1HA GLY 72 HA2 GLY 72 -3.081 -14.068 4.075 506 2HA GLY 72 HA3 GLY 72 -4.516 -13.914 3.060 507 H HIS 73 H HIS 73 -1.695 -14.216 1.076 508 HA HIS 73 HA HIS 73 -2.577 -16.803 0.150 509 1HB HIS 73 HB2 HIS 73 -0.013 -15.239 -0.395 510 2HB HIS 73 HB3 HIS 73 -0.495 -16.729 -1.204 511 HD1 HIS 73 HD1 HIS 73 -3.186 -14.025 -0.624 512 HD2 HIS 73 HD2 HIS 73 -0.557 -15.488 -3.581 513 HE1 HIS 73 HE1 HIS 73 -3.929 -13.014 -2.829 514 H GLY 74 H GLY 74 0.418 -15.740 1.730 515 1HA GLY 74 HA2 GLY 74 1.138 -16.814 3.799 516 2HA GLY 74 HA3 GLY 74 0.676 -18.372 3.146 517 H ARG 75 H ARG 75 1.957 -17.118 0.483 518 HA ARG 75 HA ARG 75 4.793 -17.173 1.162 519 1HB ARG 75 HB2 ARG 75 5.252 -18.918 -0.572 520 2HB ARG 75 HB3 ARG 75 4.441 -19.499 0.874 521 1HG ARG 75 HG2 ARG 75 2.274 -18.943 -0.818 522 2HG ARG 75 HG3 ARG 75 3.517 -19.466 -1.942 523 1HD ARG 75 HD2 ARG 75 2.176 -21.397 -1.183 524 2HD ARG 75 HD3 ARG 75 3.847 -21.544 -0.648 525 HE ARG 75 HE ARG 75 3.161 -21.508 1.532 526 1HH1 ARG 75 1HH1 ARG 75 1.781 -21.120 3.349 527 2HH1 ARG 75 2HH1 ARG 75 0.185 -20.495 3.106 528 1HH2 ARG 75 1HH2 ARG 75 0.526 -20.200 -0.422 529 2HH2 ARG 75 2HH2 ARG 75 -0.468 -19.798 0.965 530 H VAL 76 H VAL 76 6.058 -16.286 -0.568 531 HA VAL 76 HA VAL 76 4.516 -14.782 -2.627 532 HB VAL 76 HB VAL 76 5.833 -12.765 -2.048 533 1HG1 VAL 76 1HG1 VAL 76 4.558 -12.085 -0.102 534 2HG1 VAL 76 2HG1 VAL 76 3.531 -13.091 -1.140 535 3HG1 VAL 76 3HG1 VAL 76 4.238 -13.770 0.345 536 1HG2 VAL 76 1HG2 VAL 76 6.703 -14.286 0.460 537 2HG2 VAL 76 2HG2 VAL 76 7.762 -13.836 -0.895 538 3HG2 VAL 76 3HG2 VAL 76 7.008 -12.581 0.095 539 H GLU 77 H GLU 77 5.945 -13.885 -4.300 540 HA GLU 77 HA GLU 77 7.958 -15.846 -5.077 541 1HB GLU 77 HB2 GLU 77 6.350 -14.870 -6.693 542 2HB GLU 77 HB3 GLU 77 7.026 -13.260 -6.374 543 1HG GLU 77 HG2 GLU 77 9.267 -14.140 -7.253 544 2HG GLU 77 HG3 GLU 77 8.420 -15.631 -7.695 545 H ARG 78 H ARG 78 10.153 -15.391 -5.400 546 HA ARG 78 HA ARG 78 11.431 -13.443 -3.643 547 1HB ARG 78 HB2 ARG 78 12.219 -15.838 -4.253 548 2HB ARG 78 HB3 ARG 78 12.664 -15.175 -5.827 549 1HG ARG 78 HG2 ARG 78 13.991 -13.406 -4.266 550 2HG ARG 78 HG3 ARG 78 13.862 -14.722 -3.098 551 1HD ARG 78 HD2 ARG 78 15.908 -15.117 -4.174 552 2HD ARG 78 HD3 ARG 78 14.829 -16.240 -4.985 553 HE ARG 78 HE ARG 78 15.775 -13.563 -5.988 554 1HH1 ARG 78 1HH1 ARG 78 16.081 -13.291 -8.196 555 2HH1 ARG 78 2HH1 ARG 78 15.438 -14.458 -9.337 556 1HH2 ARG 78 1HH2 ARG 78 14.495 -16.835 -6.885 557 2HH2 ARG 78 2HH2 ARG 78 14.696 -16.457 -8.569 558 H SER 79 H SER 79 9.813 -11.920 -5.201 559 HA SER 79 HA SER 79 10.703 -11.213 -7.768 560 1HB SER 79 HB2 SER 79 9.282 -9.455 -5.730 561 2HB SER 79 HB3 SER 79 9.244 -9.284 -7.497 562 HG SER 79 HG SER 79 8.273 -11.407 -7.559 Start of MODEL 11 1 H GLY 1 H GLY 1 20.551 -11.178 -11.666 2 1HA GLY 1 HA2 GLY 1 18.776 -10.488 -9.402 3 2HA GLY 1 HA3 GLY 1 18.032 -11.075 -10.905 4 H VAL 2 H VAL 2 20.958 -11.883 -9.031 5 HA VAL 2 HA VAL 2 21.286 -14.507 -9.658 6 HB VAL 2 HB VAL 2 22.438 -14.817 -7.510 7 1HG1 VAL 2 1HG1 VAL 2 24.163 -13.151 -7.918 8 2HG1 VAL 2 2HG1 VAL 2 23.530 -13.747 -9.460 9 3HG1 VAL 2 3HG1 VAL 2 23.044 -12.148 -8.858 10 1HG2 VAL 2 1HG2 VAL 2 22.700 -12.883 -5.974 11 2HG2 VAL 2 2HG2 VAL 2 21.407 -12.021 -6.825 12 3HG2 VAL 2 3HG2 VAL 2 21.061 -13.529 -5.947 13 H THR 3 H THR 3 19.056 -13.304 -7.152 14 HA THR 3 HA THR 3 18.175 -15.660 -5.969 15 HB THR 3 HB THR 3 16.047 -14.141 -5.764 16 HG1 THR 3 HG1 THR 3 16.431 -12.004 -6.374 17 1HG2 THR 3 1HG2 THR 3 17.727 -14.390 -3.963 18 2HG2 THR 3 2HG2 THR 3 18.756 -13.166 -4.741 19 3HG2 THR 3 3HG2 THR 3 17.170 -12.710 -4.085 20 H LYS 4 H LYS 4 17.221 -14.189 -9.063 21 HA LYS 4 HA LYS 4 15.099 -16.204 -9.488 22 1HB LYS 4 HB2 LYS 4 14.832 -13.732 -10.002 23 2HB LYS 4 HB3 LYS 4 16.006 -13.947 -11.316 24 1HG LYS 4 HG2 LYS 4 14.518 -15.634 -12.366 25 2HG LYS 4 HG3 LYS 4 13.403 -15.514 -10.992 26 1HD LYS 4 HD2 LYS 4 12.994 -13.112 -11.537 27 2HD LYS 4 HD3 LYS 4 14.138 -13.226 -12.883 28 1HE LYS 4 HE2 LYS 4 11.851 -13.396 -13.726 29 2HE LYS 4 HE3 LYS 4 12.694 -14.933 -13.978 30 1HZ LYS 4 HZ1 LYS 4 10.482 -15.228 -13.124 31 2HZ LYS 4 HZ2 LYS 4 11.588 -15.783 -12.037 32 3HZ LYS 4 HZ3 LYS 4 10.831 -14.342 -11.779 33 H GLU 5 H GLU 5 18.358 -15.307 -10.587 34 HA GLU 5 HA GLU 5 18.437 -17.006 -12.849 35 1HB GLU 5 HB2 GLU 5 20.702 -16.093 -11.066 36 2HB GLU 5 HB3 GLU 5 20.919 -16.863 -12.637 37 1HG GLU 5 HG2 GLU 5 19.997 -15.041 -13.839 38 2HG GLU 5 HG3 GLU 5 19.247 -14.329 -12.416 39 H ILE 6 H ILE 6 19.172 -17.619 -9.570 40 HA ILE 6 HA ILE 6 20.096 -20.355 -9.930 41 HB ILE 6 HB ILE 6 19.594 -20.774 -7.577 42 1HG1 ILE 6 2HG1 ILE 6 18.430 -17.977 -7.572 43 2HG1 ILE 6 3HG1 ILE 6 17.594 -19.485 -7.185 44 1HG2 ILE 6 1HG2 ILE 6 21.055 -18.149 -8.011 45 2HG2 ILE 6 2HG2 ILE 6 21.320 -19.332 -6.710 46 3HG2 ILE 6 3HG2 ILE 6 21.709 -19.757 -8.377 47 1HD1 ILE 6 1HD1 ILE 6 18.052 -18.381 -5.130 48 2HD1 ILE 6 2HD1 ILE 6 19.155 -19.768 -5.226 49 3HD1 ILE 6 3HD1 ILE 6 19.751 -18.121 -5.545 50 H ARG 7 H ARG 7 18.949 -22.110 -10.545 51 HA ARG 7 HA ARG 7 16.186 -21.748 -11.272 52 1HB ARG 7 HB2 ARG 7 17.955 -24.202 -11.403 53 2HB ARG 7 HB3 ARG 7 16.421 -23.973 -12.243 54 1HG ARG 7 HG2 ARG 7 17.365 -22.788 -13.907 55 2HG ARG 7 HG3 ARG 7 18.167 -21.678 -12.817 56 1HD ARG 7 HD2 ARG 7 19.177 -24.385 -13.752 57 2HD ARG 7 HD3 ARG 7 19.831 -22.807 -14.185 58 HE ARG 7 HE ARG 7 20.353 -24.386 -11.813 59 1HH1 ARG 7 1HH1 ARG 7 22.161 -23.779 -10.606 60 2HH1 ARG 7 2HH1 ARG 7 22.729 -22.133 -10.612 61 1HH2 ARG 7 1HH2 ARG 7 20.185 -20.947 -12.754 62 2HH2 ARG 7 2HH2 ARG 7 21.687 -20.557 -11.988 63 H ILE 8 H ILE 8 15.890 -21.260 -8.795 64 HA ILE 8 HA ILE 8 14.617 -23.640 -7.526 65 HB ILE 8 HB ILE 8 15.985 -21.257 -6.200 66 1HG1 ILE 8 2HG1 ILE 8 16.784 -24.204 -6.359 67 2HG1 ILE 8 3HG1 ILE 8 17.631 -22.837 -7.102 68 1HG2 ILE 8 1HG2 ILE 8 13.955 -22.075 -4.980 69 2HG2 ILE 8 2HG2 ILE 8 14.668 -23.701 -4.935 70 3HG2 ILE 8 3HG2 ILE 8 15.434 -22.345 -4.077 71 1HD1 ILE 8 1HD1 ILE 8 18.023 -21.893 -4.799 72 2HD1 ILE 8 2HD1 ILE 8 17.414 -23.430 -4.135 73 3HD1 ILE 8 3HD1 ILE 8 18.856 -23.420 -5.158 74 HA PRO 9 HA PRO 9 11.010 -21.102 -8.541 75 1HB PRO 9 HB2 PRO 9 10.126 -22.178 -5.843 76 2HB PRO 9 HB3 PRO 9 9.138 -21.936 -7.315 77 1HG PRO 9 HG2 PRO 9 10.120 -24.402 -6.770 78 2HG PRO 9 HG3 PRO 9 10.269 -23.754 -8.431 79 1HD PRO 9 HD2 PRO 9 12.385 -23.878 -6.279 80 2HD PRO 9 HD3 PRO 9 12.520 -24.201 -8.035 81 H THR 10 H THR 10 11.249 -18.917 -8.363 82 HA THR 10 HA THR 10 12.632 -17.670 -6.292 83 HB THR 10 HB THR 10 10.944 -16.237 -8.342 84 HG1 THR 10 HG1 THR 10 13.278 -17.795 -8.762 85 1HG2 THR 10 1HG2 THR 10 13.015 -14.858 -8.496 86 2HG2 THR 10 2HG2 THR 10 12.364 -14.871 -6.851 87 3HG2 THR 10 3HG2 THR 10 13.778 -15.871 -7.251 88 H LEU 11 H LEU 11 11.008 -18.670 -4.593 89 HA LEU 11 HA LEU 11 9.300 -16.445 -3.630 90 1HB LEU 11 HB2 LEU 11 8.559 -19.366 -3.998 91 2HB LEU 11 HB3 LEU 11 7.689 -18.333 -2.865 92 HG LEU 11 HG LEU 11 7.970 -17.409 -5.736 93 1HD1 LEU 11 1HD1 LEU 11 7.171 -19.700 -5.965 94 2HD1 LEU 11 2HD1 LEU 11 5.888 -19.388 -4.768 95 3HD1 LEU 11 3HD1 LEU 11 5.896 -18.517 -6.321 96 1HD2 LEU 11 1HD2 LEU 11 6.977 -15.953 -3.935 97 2HD2 LEU 11 2HD2 LEU 11 5.865 -16.299 -5.264 98 3HD2 LEU 11 3HD2 LEU 11 5.704 -17.151 -3.713 99 H GLU 12 H GLU 12 8.871 -16.613 -1.340 100 HA GLU 12 HA GLU 12 10.604 -18.353 0.311 101 1HB GLU 12 HB2 GLU 12 10.344 -15.318 0.635 102 2HB GLU 12 HB3 GLU 12 11.183 -16.425 1.733 103 1HG GLU 12 HG2 GLU 12 12.743 -17.019 -0.171 104 2HG GLU 12 HG3 GLU 12 11.942 -15.751 -1.122 105 H GLU 13 H GLU 13 9.618 -18.655 2.432 106 HA GLU 13 HA GLU 13 6.740 -18.410 2.401 107 1HB GLU 13 HB2 GLU 13 6.738 -19.625 4.369 108 2HB GLU 13 HB3 GLU 13 8.101 -20.280 3.475 109 1HG GLU 13 HG2 GLU 13 8.186 -18.361 5.861 110 2HG GLU 13 HG3 GLU 13 8.636 -20.062 5.844 111 H CYS 14 H CYS 14 5.440 -16.971 3.634 112 HA CYS 14 HA CYS 14 6.741 -14.420 4.285 113 1HB CYS 14 HB2 CYS 14 4.533 -14.516 3.186 114 2HB CYS 14 HB3 CYS 14 3.893 -15.314 4.621 115 H ASP 15 H ASP 15 8.112 -14.946 5.962 116 HA ASP 15 HA ASP 15 7.742 -16.431 8.254 117 1HB ASP 15 HB2 ASP 15 9.515 -15.163 9.243 118 2HB ASP 15 HB3 ASP 15 9.869 -15.321 7.518 119 H VAL 16 H VAL 16 6.624 -13.151 7.613 120 HA VAL 16 HA VAL 16 5.782 -12.294 10.121 121 HB VAL 16 HB VAL 16 4.401 -11.822 7.451 122 1HG1 VAL 16 1HG1 VAL 16 4.330 -10.238 10.034 123 2HG1 VAL 16 2HG1 VAL 16 3.673 -9.696 8.472 124 3HG1 VAL 16 3HG1 VAL 16 2.979 -11.110 9.262 125 1HG2 VAL 16 1HG2 VAL 16 5.771 -9.701 7.479 126 2HG2 VAL 16 2HG2 VAL 16 6.692 -10.363 8.839 127 3HG2 VAL 16 3HG2 VAL 16 6.741 -11.158 7.249 128 H CYS 17 H CYS 17 3.969 -14.385 7.790 129 HA CYS 17 HA CYS 17 2.017 -15.028 9.986 130 1HB CYS 17 HB2 CYS 17 0.624 -15.959 8.211 131 2HB CYS 17 HB3 CYS 17 0.868 -14.216 8.107 132 H HIS 18 H HIS 18 4.860 -16.008 9.515 133 HA HIS 18 HA HIS 18 6.029 -17.902 9.721 134 1HB HIS 18 HB2 HIS 18 3.562 -19.145 10.921 135 2HB HIS 18 HB3 HIS 18 5.245 -19.320 11.427 136 HD1 HIS 18 HD1 HIS 18 5.729 -16.022 11.598 137 HD2 HIS 18 HD2 HIS 18 2.404 -18.179 13.017 138 HE1 HIS 18 HE1 HIS 18 4.569 -14.540 13.310 139 H GLY 19 H GLY 19 4.758 -17.531 7.201 140 1HA GLY 19 HA2 GLY 19 4.650 -18.680 5.242 141 2HA GLY 19 HA3 GLY 19 5.072 -20.171 6.085 142 H SER 20 H SER 20 2.295 -18.991 7.674 143 HA SER 20 HA SER 20 0.705 -21.065 6.360 144 1HB SER 20 HB2 SER 20 -1.041 -20.475 7.904 145 2HB SER 20 HB3 SER 20 0.464 -20.776 8.768 146 HG SER 20 HG SER 20 0.675 -18.530 9.058 147 H GLY 21 H GLY 21 -0.087 -17.742 7.096 148 1HA GLY 21 HA2 GLY 21 -0.586 -16.328 4.875 149 2HA GLY 21 HA3 GLY 21 -1.892 -17.510 4.765 150 H ALA 22 H ALA 22 -1.788 -17.504 7.965 151 HA ALA 22 HA ALA 22 -3.811 -15.370 8.196 152 1HB ALA 22 HB1 ALA 22 -4.345 -16.434 10.296 153 2HB ALA 22 HB2 ALA 22 -4.271 -17.658 9.020 154 3HB ALA 22 HB3 ALA 22 -2.920 -17.491 10.167 155 H LYS 23 H LYS 23 -3.494 -13.471 9.385 156 HA LYS 23 HA LYS 23 -0.912 -12.569 9.635 157 1HB LYS 23 HB2 LYS 23 -1.803 -10.599 10.897 158 2HB LYS 23 HB3 LYS 23 -2.604 -11.028 9.397 159 1HG LYS 23 HG2 LYS 23 -4.261 -10.334 10.850 160 2HG LYS 23 HG3 LYS 23 -4.434 -12.080 10.738 161 1HD LYS 23 HD2 LYS 23 -3.344 -12.330 12.952 162 2HD LYS 23 HD3 LYS 23 -3.001 -10.593 13.006 163 1HE LYS 23 HE2 LYS 23 -5.448 -10.126 13.001 164 2HE LYS 23 HE3 LYS 23 -5.775 -11.870 12.940 165 1HZ LYS 23 HZ1 LYS 23 -4.364 -10.482 15.104 166 2HZ LYS 23 HZ2 LYS 23 -5.919 -11.024 15.151 167 3HZ LYS 23 HZ3 LYS 23 -4.676 -12.100 15.034 168 HA PRO 24 HA PRO 24 1.762 -13.801 12.689 169 1HB PRO 24 HB2 PRO 24 1.115 -11.191 14.078 170 2HB PRO 24 HB3 PRO 24 2.698 -12.022 13.994 171 1HG PRO 24 HG2 PRO 24 1.908 -10.064 12.202 172 2HG PRO 24 HG3 PRO 24 2.986 -11.402 11.747 173 1HD PRO 24 HD2 PRO 24 0.289 -10.909 10.845 174 2HD PRO 24 HD3 PRO 24 1.368 -12.226 10.339 175 H GLY 25 H GLY 25 1.633 -15.326 14.213 176 1HA GLY 25 HA2 GLY 25 1.111 -16.423 16.128 177 2HA GLY 25 HA3 GLY 25 0.344 -14.958 16.750 178 H THR 26 H THR 26 -1.665 -14.638 14.776 179 HA THR 26 HA THR 26 -3.684 -16.431 15.786 180 HB THR 26 HB THR 26 -3.855 -14.429 13.513 181 HG1 THR 26 HG1 THR 26 -2.944 -13.462 15.373 182 1HG2 THR 26 1HG2 THR 26 -5.856 -15.865 13.824 183 2HG2 THR 26 2HG2 THR 26 -5.920 -15.397 15.542 184 3HG2 THR 26 3HG2 THR 26 -6.183 -14.180 14.274 185 H GLN 27 H GLN 27 -2.732 -18.449 15.100 186 HA GLN 27 HA GLN 27 -2.005 -19.144 12.515 187 1HB GLN 27 HB2 GLN 27 -2.498 -21.507 13.227 188 2HB GLN 27 HB3 GLN 27 -1.554 -20.604 14.410 189 1HG GLN 27 HG2 GLN 27 -3.288 -20.539 15.955 190 2HG GLN 27 HG3 GLN 27 -4.565 -20.632 14.746 191 1HE2 GLN 27 1HE2 GLN 27 -4.478 -24.199 14.424 192 2HE2 GLN 27 2HE2 GLN 27 -4.772 -22.747 13.477 193 HA PRO 28 HA PRO 28 -5.737 -19.525 10.052 194 1HB PRO 28 HB2 PRO 28 -5.384 -21.852 8.742 195 2HB PRO 28 HB3 PRO 28 -4.503 -20.350 8.294 196 1HG PRO 28 HG2 PRO 28 -3.503 -22.622 10.042 197 2HG PRO 28 HG3 PRO 28 -2.665 -21.873 8.656 198 1HD PRO 28 HD2 PRO 28 -2.084 -21.068 11.132 199 2HD PRO 28 HD3 PRO 28 -2.363 -19.813 9.899 200 H GLN 29 H GLN 29 -7.748 -20.767 10.181 201 HA GLN 29 HA GLN 29 -7.818 -22.598 12.541 202 1HB GLN 29 HB2 GLN 29 -10.068 -21.420 10.879 203 2HB GLN 29 HB3 GLN 29 -10.218 -22.346 12.382 204 1HG GLN 29 HG2 GLN 29 -8.872 -19.611 12.057 205 2HG GLN 29 HG3 GLN 29 -10.423 -19.960 12.824 206 1HE2 GLN 29 1HE2 GLN 29 -7.056 -20.389 15.038 207 2HE2 GLN 29 2HE2 GLN 29 -6.905 -19.836 13.387 208 H THR 30 H THR 30 -7.510 -24.746 12.188 209 HA THR 30 HA THR 30 -7.118 -25.971 9.765 210 HB THR 30 HB THR 30 -8.445 -27.225 12.231 211 HG1 THR 30 HG1 THR 30 -5.709 -26.557 11.835 212 1HG2 THR 30 1HG2 THR 30 -8.094 -28.798 10.391 213 2HG2 THR 30 2HG2 THR 30 -6.385 -28.309 10.254 214 3HG2 THR 30 3HG2 THR 30 -6.966 -29.146 11.710 215 H CYS 31 H CYS 31 -8.561 -26.458 8.055 216 HA CYS 31 HA CYS 31 -11.297 -25.774 8.209 217 1HB CYS 31 HB2 CYS 31 -10.015 -25.923 6.097 218 2HB CYS 31 HB3 CYS 31 -9.931 -27.669 6.300 219 HA PRO 32 HA PRO 32 -12.310 -29.553 10.493 220 1HB PRO 32 HB2 PRO 32 -14.909 -29.098 11.115 221 2HB PRO 32 HB3 PRO 32 -13.550 -28.193 11.858 222 1HG PRO 32 HG2 PRO 32 -15.276 -27.302 9.525 223 2HG PRO 32 HG3 PRO 32 -14.883 -26.389 11.009 224 1HD PRO 32 HD2 PRO 32 -13.480 -26.076 8.692 225 2HD PRO 32 HD3 PRO 32 -12.683 -25.973 10.287 226 H THR 33 H THR 33 -14.251 -28.304 7.732 227 HA THR 33 HA THR 33 -15.809 -30.405 7.055 228 HB THR 33 HB THR 33 -14.229 -28.862 4.982 229 HG1 THR 33 HG1 THR 33 -16.297 -27.788 6.594 230 1HG2 THR 33 1HG2 THR 33 -16.426 -28.654 3.898 231 2HG2 THR 33 2HG2 THR 33 -16.033 -30.360 4.189 232 3HG2 THR 33 3HG2 THR 33 -17.197 -29.527 5.241 233 H CYS 34 H CYS 34 -12.297 -30.117 6.418 234 HA CYS 34 HA CYS 34 -12.289 -32.927 5.334 235 1HB CYS 34 HB2 CYS 34 -10.217 -32.261 4.203 236 2HB CYS 34 HB3 CYS 34 -11.638 -31.417 3.605 237 H HIS 35 H HIS 35 -12.025 -31.660 8.191 238 HA HIS 35 HA HIS 35 -10.730 -31.881 10.051 239 1HB HIS 35 HB2 HIS 35 -10.048 -34.569 8.788 240 2HB HIS 35 HB3 HIS 35 -9.934 -34.143 10.496 241 HD1 HIS 35 HD1 HIS 35 -13.157 -32.738 9.651 242 HD2 HIS 35 HD2 HIS 35 -11.570 -36.616 10.072 243 HE1 HIS 35 HE1 HIS 35 -15.126 -34.290 10.073 244 H GLY 36 H GLY 36 -9.415 -30.253 8.313 245 1HA GLY 36 HA2 GLY 36 -7.316 -29.330 8.093 246 2HA GLY 36 HA3 GLY 36 -6.621 -30.657 9.032 247 H SER 37 H SER 37 -7.237 -32.876 7.467 248 HA SER 37 HA SER 37 -5.282 -33.431 5.872 249 1HB SER 37 HB2 SER 37 -8.006 -34.117 4.826 250 2HB SER 37 HB3 SER 37 -6.577 -35.160 4.970 251 HG SER 37 HG SER 37 -8.444 -34.284 6.912 252 H GLY 38 H GLY 38 -8.060 -31.618 4.557 253 1HA GLY 38 HA2 GLY 38 -7.824 -29.946 2.871 254 2HA GLY 38 HA3 GLY 38 -6.412 -30.756 2.221 255 H GLN 39 H GLN 39 -8.901 -33.098 2.792 256 HA GLN 39 HA GLN 39 -9.996 -32.710 0.061 257 1HB GLN 39 HB2 GLN 39 -9.499 -34.775 -0.684 258 2HB GLN 39 HB3 GLN 39 -8.039 -34.413 0.227 259 1HG GLN 39 HG2 GLN 39 -10.362 -36.209 1.110 260 2HG GLN 39 HG3 GLN 39 -8.813 -36.722 0.470 261 1HE2 GLN 39 1HE2 GLN 39 -9.100 -35.767 4.431 262 2HE2 GLN 39 2HE2 GLN 39 -10.419 -35.367 3.341 263 H VAL 40 H VAL 40 -12.007 -33.644 -0.371 264 HA VAL 40 HA VAL 40 -13.683 -34.351 2.004 265 HB VAL 40 HB VAL 40 -15.564 -33.327 0.722 266 1HG1 VAL 40 1HG1 VAL 40 -14.489 -32.102 2.551 267 2HG1 VAL 40 2HG1 VAL 40 -13.309 -31.413 1.418 268 3HG1 VAL 40 3HG1 VAL 40 -15.029 -30.995 1.273 269 1HG2 VAL 40 1HG2 VAL 40 -14.507 -33.390 -1.548 270 2HG2 VAL 40 2HG2 VAL 40 -15.160 -31.801 -1.125 271 3HG2 VAL 40 3HG2 VAL 40 -13.412 -32.082 -1.056 272 H GLN 41 H GLN 41 -15.446 -35.815 1.442 273 HA GLN 41 HA GLN 41 -14.806 -37.554 -0.874 274 1HB GLN 41 HB2 GLN 41 -14.353 -38.618 1.305 275 2HB GLN 41 HB3 GLN 41 -16.048 -38.389 1.758 276 1HG GLN 41 HG2 GLN 41 -16.769 -39.767 -0.166 277 2HG GLN 41 HG3 GLN 41 -15.108 -40.007 -0.681 278 1HE2 GLN 41 1HE2 GLN 41 -14.392 -42.142 2.259 279 2HE2 GLN 41 2HE2 GLN 41 -13.650 -40.747 1.507 280 H MET 42 H MET 42 -16.163 -36.996 -2.462 281 HA MET 42 HA MET 42 -18.934 -36.195 -1.965 282 1HB MET 42 HB2 MET 42 -17.901 -35.248 -3.859 283 2HB MET 42 HB3 MET 42 -17.320 -36.810 -4.459 284 1HG MET 42 HG2 MET 42 -19.284 -35.781 -5.668 285 2HG MET 42 HG3 MET 42 -19.453 -37.466 -5.183 286 1HE MET 42 HE1 MET 42 -22.005 -37.428 -5.692 287 2HE MET 42 HE2 MET 42 -23.130 -36.218 -5.030 288 3HE MET 42 HE3 MET 42 -21.881 -35.723 -6.198 289 H ARG 43 H ARG 43 -19.766 -37.778 -0.781 290 HA ARG 43 HA ARG 43 -19.776 -40.629 -1.483 291 1HB ARG 43 HB2 ARG 43 -19.357 -40.088 0.802 292 2HB ARG 43 HB3 ARG 43 -20.640 -38.885 0.837 293 1HG ARG 43 HG2 ARG 43 -21.270 -40.772 2.159 294 2HG ARG 43 HG3 ARG 43 -22.381 -40.567 0.817 295 1HD ARG 43 HD2 ARG 43 -21.876 -42.924 1.233 296 2HD ARG 43 HD3 ARG 43 -21.269 -42.470 -0.373 297 HE ARG 43 HE ARG 43 -19.165 -42.090 1.468 298 1HH1 ARG 43 1HH1 ARG 43 -17.413 -43.431 1.230 299 2HH1 ARG 43 2HH1 ARG 43 -17.608 -45.124 0.803 300 1HH2 ARG 43 1HH2 ARG 43 -21.137 -44.816 0.323 301 2HH2 ARG 43 2HH2 ARG 43 -19.777 -45.823 -0.034 302 H GLN 44 H GLN 44 -21.371 -41.480 -2.756 303 HA GLN 44 HA GLN 44 -24.062 -40.168 -2.766 304 1HB GLN 44 HB2 GLN 44 -24.378 -41.086 -5.001 305 2HB GLN 44 HB3 GLN 44 -23.237 -39.766 -4.921 306 1HG GLN 44 HG2 GLN 44 -22.426 -42.704 -5.073 307 2HG GLN 44 HG3 GLN 44 -22.695 -41.691 -6.485 308 1HE2 GLN 44 1HE2 GLN 44 -19.664 -39.736 -4.791 309 2HE2 GLN 44 2HE2 GLN 44 -21.357 -39.486 -4.441 310 H GLY 45 H GLY 45 -23.661 -41.564 -0.721 311 1HA GLY 45 HA2 GLY 45 -24.573 -43.220 0.539 312 2HA GLY 45 HA3 GLY 45 -25.547 -43.700 -0.855 313 H PHE 46 H PHE 46 -24.385 -44.991 -2.539 314 HA PHE 46 HA PHE 46 -22.965 -47.210 -1.205 315 1HB PHE 46 HB2 PHE 46 -23.230 -48.327 -3.437 316 2HB PHE 46 HB3 PHE 46 -24.693 -47.964 -2.544 317 HD1 PHE 46 HD1 PHE 46 -26.200 -46.053 -3.232 318 HD2 PHE 46 HD2 PHE 46 -23.012 -47.560 -5.716 319 HE1 PHE 46 HE1 PHE 46 -27.115 -44.813 -5.168 320 HE2 PHE 46 HE2 PHE 46 -23.964 -46.361 -7.655 321 HZ PHE 46 HZ PHE 46 -25.993 -44.950 -7.381 322 H PHE 47 H PHE 47 -22.383 -45.407 -4.268 323 HA PHE 47 HA PHE 47 -19.483 -45.969 -4.015 324 1HB PHE 47 HB2 PHE 47 -21.036 -44.395 -6.095 325 2HB PHE 47 HB3 PHE 47 -19.326 -44.790 -6.182 326 HD1 PHE 47 HD1 PHE 47 -21.319 -45.336 -8.338 327 HD2 PHE 47 HD2 PHE 47 -19.872 -47.822 -5.109 328 HE1 PHE 47 HE1 PHE 47 -21.827 -47.371 -9.655 329 HE2 PHE 47 HE2 PHE 47 -20.388 -49.828 -6.430 330 HZ PHE 47 HZ PHE 47 -21.385 -49.621 -8.696 331 H ALA 48 H ALA 48 -17.907 -44.200 -4.262 332 HA ALA 48 HA ALA 48 -18.698 -41.541 -3.533 333 1HB ALA 48 HB1 ALA 48 -17.114 -43.245 -1.549 334 2HB ALA 48 HB2 ALA 48 -17.424 -41.500 -1.416 335 3HB ALA 48 HB3 ALA 48 -18.772 -42.645 -1.327 336 H VAL 49 H VAL 49 -16.878 -40.094 -3.686 337 HA VAL 49 HA VAL 49 -14.274 -41.226 -4.499 338 HB VAL 49 HB VAL 49 -14.098 -39.593 -6.371 339 1HG1 VAL 49 1HG1 VAL 49 -14.604 -41.980 -6.626 340 2HG1 VAL 49 2HG1 VAL 49 -16.345 -41.605 -6.657 341 3HG1 VAL 49 3HG1 VAL 49 -15.278 -40.993 -7.949 342 1HG2 VAL 49 1HG2 VAL 49 -15.853 -37.994 -5.766 343 2HG2 VAL 49 2HG2 VAL 49 -16.144 -38.655 -7.382 344 3HG2 VAL 49 3HG2 VAL 49 -17.112 -39.228 -6.010 345 H GLN 50 H GLN 50 -12.615 -39.431 -4.539 346 HA GLN 50 HA GLN 50 -13.233 -37.492 -2.383 347 1HB GLN 50 HB2 GLN 50 -10.901 -39.387 -2.738 348 2HB GLN 50 HB3 GLN 50 -10.830 -37.968 -1.644 349 1HG GLN 50 HG2 GLN 50 -12.930 -38.719 -0.573 350 2HG GLN 50 HG3 GLN 50 -12.910 -40.202 -1.544 351 1HE2 GLN 50 1HE2 GLN 50 -9.722 -41.083 0.384 352 2HE2 GLN 50 2HE2 GLN 50 -9.953 -40.563 -1.278 353 H GLN 51 H GLN 51 -12.497 -35.476 -2.549 354 HA GLN 51 HA GLN 51 -10.722 -34.795 -4.825 355 1HB GLN 51 HB2 GLN 51 -13.074 -33.004 -4.611 356 2HB GLN 51 HB3 GLN 51 -12.225 -33.623 -6.019 357 1HG GLN 51 HG2 GLN 51 -14.389 -34.483 -6.241 358 2HG GLN 51 HG3 GLN 51 -13.512 -35.865 -5.599 359 1HE2 GLN 51 1HE2 GLN 51 -16.238 -33.850 -3.213 360 2HE2 GLN 51 2HE2 GLN 51 -15.455 -32.997 -4.533 361 H THR 52 H THR 52 -10.005 -32.510 -4.712 362 HA THR 52 HA THR 52 -8.991 -31.781 -2.243 363 HB THR 52 HB THR 52 -9.690 -29.956 -4.597 364 HG1 THR 52 HG1 THR 52 -7.523 -31.773 -4.353 365 1HG2 THR 52 1HG2 THR 52 -7.499 -28.917 -4.053 366 2HG2 THR 52 2HG2 THR 52 -8.643 -28.817 -2.700 367 3HG2 THR 52 3HG2 THR 52 -7.330 -30.024 -2.668 368 H CYS 53 H CYS 53 -9.734 -30.417 -0.551 369 HA CYS 53 HA CYS 53 -12.556 -29.904 -0.393 370 1HB CYS 53 HB2 CYS 53 -11.132 -30.370 1.566 371 2HB CYS 53 HB3 CYS 53 -10.291 -28.842 1.310 372 HA PRO 54 HA PRO 54 -11.989 -26.019 -2.708 373 1HB PRO 54 HB2 PRO 54 -14.585 -25.183 -2.893 374 2HB PRO 54 HB3 PRO 54 -13.914 -26.530 -3.859 375 1HG PRO 54 HG2 PRO 54 -15.516 -26.727 -1.297 376 2HG PRO 54 HG3 PRO 54 -15.754 -27.633 -2.816 377 1HD PRO 54 HD2 PRO 54 -14.378 -28.679 -0.715 378 2HD PRO 54 HD3 PRO 54 -13.894 -29.013 -2.402 379 H HIS 55 H HIS 55 -13.998 -26.252 0.234 380 HA HIS 55 HA HIS 55 -14.299 -23.653 0.977 381 1HB HIS 55 HB2 HIS 55 -15.164 -25.734 2.106 382 2HB HIS 55 HB3 HIS 55 -13.599 -25.886 2.916 383 HD1 HIS 55 HD1 HIS 55 -13.812 -22.410 3.216 384 HD2 HIS 55 HD2 HIS 55 -16.128 -25.592 4.712 385 HE1 HIS 55 HE1 HIS 55 -15.063 -21.516 5.263 386 H CYS 56 H CYS 56 -11.300 -25.515 1.283 387 HA CYS 56 HA CYS 56 -9.860 -23.037 2.175 388 1HB CYS 56 HB2 CYS 56 -8.356 -24.512 3.446 389 2HB CYS 56 HB3 CYS 56 -10.000 -24.533 4.071 390 H GLN 57 H GLN 57 -10.417 -24.242 -0.535 391 HA GLN 57 HA GLN 57 -9.332 -24.907 -2.437 392 1HB GLN 57 HB2 GLN 57 -7.407 -22.812 -1.342 393 2HB GLN 57 HB3 GLN 57 -7.493 -23.325 -3.031 394 1HG GLN 57 HG2 GLN 57 -9.806 -22.002 -1.533 395 2HG GLN 57 HG3 GLN 57 -8.644 -21.174 -2.567 396 1HE2 GLN 57 1HE2 GLN 57 -11.683 -23.252 -4.309 397 2HE2 GLN 57 2HE2 GLN 57 -11.485 -23.275 -2.561 398 H GLY 58 H GLY 58 -8.837 -26.872 -0.615 399 1HA GLY 58 HA2 GLY 58 -7.493 -28.719 -0.385 400 2HA GLY 58 HA3 GLY 58 -6.459 -28.074 -1.670 401 H ARG 59 H ARG 59 -6.308 -25.617 0.532 402 HA ARG 59 HA ARG 59 -3.646 -26.360 1.337 403 1HB ARG 59 HB2 ARG 59 -5.421 -24.184 2.486 404 2HB ARG 59 HB3 ARG 59 -3.652 -24.318 2.577 405 1HG ARG 59 HG2 ARG 59 -3.469 -23.933 0.146 406 2HG ARG 59 HG3 ARG 59 -5.230 -23.929 0.001 407 1HD ARG 59 HD2 ARG 59 -4.926 -21.705 0.080 408 2HD ARG 59 HD3 ARG 59 -5.120 -21.971 1.804 409 HE ARG 59 HE ARG 59 -2.762 -21.139 0.287 410 1HH1 ARG 59 1HH1 ARG 59 -1.165 -19.992 1.475 411 2HH1 ARG 59 2HH1 ARG 59 -1.010 -20.300 3.177 412 1HH2 ARG 59 1HH2 ARG 59 -3.655 -22.570 3.477 413 2HH2 ARG 59 2HH2 ARG 59 -2.326 -21.775 4.253 414 H GLY 60 H GLY 60 -6.813 -26.682 2.758 415 1HA GLY 60 HA2 GLY 60 -7.395 -28.168 4.558 416 2HA GLY 60 HA3 GLY 60 -5.701 -28.181 5.041 417 H THR 61 H THR 61 -5.968 -25.025 4.618 418 HA THR 61 HA THR 61 -6.643 -24.459 7.453 419 HB THR 61 HB THR 61 -5.002 -22.545 6.832 420 HG1 THR 61 HG1 THR 61 -5.404 -22.867 4.592 421 1HG2 THR 61 1HG2 THR 61 -4.376 -24.624 8.108 422 2HG2 THR 61 2HG2 THR 61 -3.937 -25.395 6.566 423 3HG2 THR 61 3HG2 THR 61 -3.046 -23.962 7.122 424 H LEU 62 H LEU 62 -8.169 -22.980 7.917 425 HA LEU 62 HA LEU 62 -9.328 -21.266 5.777 426 1HB LEU 62 HB2 LEU 62 -10.280 -21.814 8.607 427 2HB LEU 62 HB3 LEU 62 -11.068 -20.764 7.435 428 HG LEU 62 HG LEU 62 -10.624 -23.755 7.047 429 1HD1 LEU 62 1HD1 LEU 62 -12.183 -23.307 8.894 430 2HD1 LEU 62 2HD1 LEU 62 -13.106 -22.186 7.869 431 3HD1 LEU 62 3HD1 LEU 62 -13.069 -23.918 7.482 432 1HD2 LEU 62 1HD2 LEU 62 -12.304 -21.735 5.486 433 2HD2 LEU 62 2HD2 LEU 62 -10.840 -22.535 4.884 434 3HD2 LEU 62 3HD2 LEU 62 -12.276 -23.498 5.221 435 H ILE 63 H ILE 63 -7.952 -19.680 5.483 436 HA ILE 63 HA ILE 63 -6.650 -18.205 7.680 437 HB ILE 63 HB ILE 63 -6.580 -18.108 4.649 438 1HG1 ILE 63 2HG1 ILE 63 -4.318 -18.558 6.624 439 2HG1 ILE 63 3HG1 ILE 63 -5.398 -19.896 6.214 440 1HG2 ILE 63 1HG2 ILE 63 -6.232 -15.804 5.223 441 2HG2 ILE 63 2HG2 ILE 63 -5.284 -16.231 6.663 442 3HG2 ILE 63 3HG2 ILE 63 -4.631 -16.477 5.030 443 1HD1 ILE 63 1HD1 ILE 63 -4.831 -19.861 3.931 444 2HD1 ILE 63 2HD1 ILE 63 -3.909 -18.352 4.083 445 3HD1 ILE 63 3HD1 ILE 63 -3.328 -19.823 4.889 446 H LYS 64 H LYS 64 -8.826 -17.912 8.616 447 HA LYS 64 HA LYS 64 -10.784 -16.256 7.414 448 1HB LYS 64 HB2 LYS 64 -11.673 -15.932 9.639 449 2HB LYS 64 HB3 LYS 64 -11.284 -17.631 9.336 450 1HG LYS 64 HG2 LYS 64 -9.208 -17.427 10.659 451 2HG LYS 64 HG3 LYS 64 -9.513 -15.718 10.947 452 1HD LYS 64 HD2 LYS 64 -11.308 -18.017 11.840 453 2HD LYS 64 HD3 LYS 64 -10.139 -17.172 12.864 454 1HE LYS 64 HE2 LYS 64 -12.681 -16.006 11.639 455 2HE LYS 64 HE3 LYS 64 -12.356 -16.340 13.339 456 1HZ LYS 64 HZ1 LYS 64 -10.967 -14.351 11.690 457 2HZ LYS 64 HZ2 LYS 64 -12.078 -14.048 12.866 458 3HZ LYS 64 HZ3 LYS 64 -10.615 -14.692 13.266 459 H ASP 65 H ASP 65 -7.751 -15.444 8.899 460 HA ASP 65 HA ASP 65 -8.253 -12.501 8.737 461 1HB ASP 65 HB2 ASP 65 -6.739 -12.336 10.650 462 2HB ASP 65 HB3 ASP 65 -8.183 -13.269 11.028 463 HA PRO 66 HA PRO 66 -5.038 -13.876 5.663 464 1HB PRO 66 HB2 PRO 66 -6.080 -11.320 4.423 465 2HB PRO 66 HB3 PRO 66 -5.566 -12.815 3.598 466 1HG PRO 66 HG2 PRO 66 -8.196 -12.328 3.975 467 2HG PRO 66 HG3 PRO 66 -7.555 -13.959 4.334 468 1HD PRO 66 HD2 PRO 66 -8.132 -11.715 6.286 469 2HD PRO 66 HD3 PRO 66 -8.548 -13.447 6.367 470 H CYS 67 H CYS 67 -2.940 -13.380 5.690 471 HA CYS 67 HA CYS 67 -1.876 -11.026 7.030 472 1HB CYS 67 HB2 CYS 67 -0.787 -13.201 7.132 473 2HB CYS 67 HB3 CYS 67 -0.600 -13.226 5.383 474 H ASN 68 H ASN 68 -2.798 -9.368 5.845 475 HA ASN 68 HA ASN 68 -3.090 -8.783 3.252 476 1HB ASN 68 HB2 ASN 68 -2.834 -6.445 3.739 477 2HB ASN 68 HB3 ASN 68 -3.651 -7.250 5.084 478 1HD2 ASN 68 1HD2 ASN 68 -0.959 -4.855 6.314 479 2HD2 ASN 68 2HD2 ASN 68 -2.265 -4.658 5.161 480 H LYS 69 H LYS 69 0.060 -8.391 4.887 481 HA LYS 69 HA LYS 69 1.662 -7.292 2.981 482 1HB LYS 69 HB2 LYS 69 2.349 -7.992 5.262 483 2HB LYS 69 HB3 LYS 69 2.437 -9.673 4.703 484 1HG LYS 69 HG2 LYS 69 4.159 -8.989 3.008 485 2HG LYS 69 HG3 LYS 69 4.054 -7.325 3.606 486 1HD LYS 69 HD2 LYS 69 4.832 -8.095 5.839 487 2HD LYS 69 HD3 LYS 69 4.905 -9.766 5.233 488 1HE LYS 69 HE2 LYS 69 6.572 -9.063 3.512 489 2HE LYS 69 HE3 LYS 69 6.506 -7.402 4.129 490 1HZ LYS 69 HZ1 LYS 69 7.402 -9.761 5.631 491 2HZ LYS 69 HZ2 LYS 69 8.364 -8.586 4.995 492 3HZ LYS 69 HZ3 LYS 69 7.326 -8.222 6.221 493 H CYS 70 H CYS 70 0.658 -10.729 3.056 494 HA CYS 70 HA CYS 70 1.834 -11.124 0.307 495 1HB CYS 70 HB2 CYS 70 2.117 -13.452 0.931 496 2HB CYS 70 HB3 CYS 70 2.996 -12.412 2.051 497 H HIS 71 H HIS 71 -0.885 -10.137 1.327 498 HA HIS 71 HA HIS 71 -3.113 -10.493 1.034 499 1HB HIS 71 HB2 HIS 71 -2.122 -11.764 -1.545 500 2HB HIS 71 HB3 HIS 71 -3.757 -11.167 -1.243 501 HD1 HIS 71 HD1 HIS 71 -1.639 -8.572 0.222 502 HD2 HIS 71 HD2 HIS 71 -2.677 -9.849 -3.661 503 HE1 HIS 71 HE1 HIS 71 -1.171 -6.623 -1.340 504 H GLY 72 H GLY 72 -1.957 -12.357 2.714 505 1HA GLY 72 HA2 GLY 72 -2.358 -14.309 3.754 506 2HA GLY 72 HA3 GLY 72 -3.931 -14.362 2.948 507 H HIS 73 H HIS 73 -1.241 -14.456 0.703 508 HA HIS 73 HA HIS 73 -1.877 -17.168 -0.082 509 1HB HIS 73 HB2 HIS 73 0.491 -15.368 -0.759 510 2HB HIS 73 HB3 HIS 73 0.137 -16.920 -1.518 511 HD1 HIS 73 HD1 HIS 73 -2.803 -14.495 -0.935 512 HD2 HIS 73 HD2 HIS 73 -0.099 -15.743 -3.921 513 HE1 HIS 73 HE1 HIS 73 -3.695 -13.619 -3.144 514 H GLY 74 H GLY 74 0.538 -15.621 1.861 515 1HA GLY 74 HA2 GLY 74 1.629 -16.409 3.724 516 2HA GLY 74 HA3 GLY 74 1.273 -18.070 3.322 517 H ARG 75 H ARG 75 2.575 -16.189 0.684 518 HA ARG 75 HA ARG 75 5.370 -16.599 1.374 519 1HB ARG 75 HB2 ARG 75 5.815 -17.820 -0.767 520 2HB ARG 75 HB3 ARG 75 4.975 -18.745 0.465 521 1HG ARG 75 HG2 ARG 75 2.952 -17.518 -1.215 522 2HG ARG 75 HG3 ARG 75 4.195 -18.199 -2.256 523 1HD ARG 75 HD2 ARG 75 2.525 -19.869 -1.900 524 2HD ARG 75 HD3 ARG 75 3.983 -20.398 -1.077 525 HE ARG 75 HE ARG 75 1.450 -19.311 0.121 526 1HH1 ARG 75 1HH1 ARG 75 4.559 -20.940 0.793 527 2HH1 ARG 75 2HH1 ARG 75 4.078 -21.330 2.426 528 1HH2 ARG 75 1HH2 ARG 75 0.906 -19.829 2.130 529 2HH2 ARG 75 2HH2 ARG 75 2.026 -20.583 3.260 530 H VAL 76 H VAL 76 6.778 -15.466 -0.075 531 HA VAL 76 HA VAL 76 5.490 -13.365 -1.744 532 HB VAL 76 HB VAL 76 7.064 -11.720 -0.777 533 1HG1 VAL 76 1HG1 VAL 76 5.296 -12.982 1.358 534 2HG1 VAL 76 2HG1 VAL 76 5.859 -11.302 1.293 535 3HG1 VAL 76 3HG1 VAL 76 4.728 -11.900 0.065 536 1HG2 VAL 76 1HG2 VAL 76 8.201 -12.156 1.362 537 2HG2 VAL 76 2HG2 VAL 76 7.690 -13.852 1.325 538 3HG2 VAL 76 3HG2 VAL 76 8.819 -13.228 0.101 539 H GLU 77 H GLU 77 6.899 -12.551 -3.395 540 HA GLU 77 HA GLU 77 8.506 -14.557 -4.615 541 1HB GLU 77 HB2 GLU 77 7.279 -12.886 -5.866 542 2HB GLU 77 HB3 GLU 77 8.317 -11.596 -5.196 543 1HG GLU 77 HG2 GLU 77 10.300 -12.819 -6.298 544 2HG GLU 77 HG3 GLU 77 9.104 -13.859 -7.085 545 H ARG 78 H ARG 78 10.683 -14.887 -4.674 546 HA ARG 78 HA ARG 78 12.339 -13.621 -2.608 547 1HB ARG 78 HB2 ARG 78 12.432 -16.098 -3.224 548 2HB ARG 78 HB3 ARG 78 13.194 -15.632 -4.737 549 1HG ARG 78 HG2 ARG 78 15.080 -14.616 -3.531 550 2HG ARG 78 HG3 ARG 78 14.274 -14.861 -1.985 551 1HD ARG 78 HD2 ARG 78 16.013 -16.532 -2.347 552 2HD ARG 78 HD3 ARG 78 14.437 -17.294 -2.230 553 HE ARG 78 HE ARG 78 16.062 -16.815 -4.715 554 1HH1 ARG 78 1HH1 ARG 78 15.669 -18.047 -6.509 555 2HH1 ARG 78 2HH1 ARG 78 14.513 -19.354 -6.499 556 1HH2 ARG 78 1HH2 ARG 78 13.338 -18.596 -3.207 557 2HH2 ARG 78 2HH2 ARG 78 13.102 -19.585 -4.611 558 H SER 79 H SER 79 11.656 -11.498 -3.931 559 HA SER 79 HA SER 79 12.890 -10.942 -6.413 560 1HB SER 79 HB2 SER 79 12.263 -8.942 -4.201 561 2HB SER 79 HB3 SER 79 12.294 -8.647 -5.953 562 HG SER 79 HG SER 79 10.509 -10.092 -6.130 Start of MODEL 12 1 H GLY 1 H GLY 1 11.786 -1.507 -6.621 2 1HA GLY 1 HA2 GLY 1 10.258 0.340 -7.603 3 2HA GLY 1 HA3 GLY 1 11.796 1.043 -8.151 4 H VAL 2 H VAL 2 13.306 -0.629 -9.180 5 HA VAL 2 HA VAL 2 12.217 -1.706 -11.564 6 HB VAL 2 HB VAL 2 14.807 -2.411 -10.106 7 1HG1 VAL 2 1HG1 VAL 2 15.616 -3.067 -12.380 8 2HG1 VAL 2 2HG1 VAL 2 14.327 -4.120 -11.795 9 3HG1 VAL 2 3HG1 VAL 2 13.965 -2.868 -13.004 10 1HG2 VAL 2 1HG2 VAL 2 14.223 -0.378 -12.310 11 2HG2 VAL 2 2HG2 VAL 2 14.667 0.007 -10.634 12 3HG2 VAL 2 3HG2 VAL 2 15.834 -0.791 -11.691 13 H THR 3 H THR 3 12.590 -3.029 -8.325 14 HA THR 3 HA THR 3 12.289 -5.752 -8.577 15 HB THR 3 HB THR 3 10.958 -5.358 -6.362 16 HG1 THR 3 HG1 THR 3 11.199 -3.269 -5.578 17 1HG2 THR 3 1HG2 THR 3 13.063 -4.811 -5.178 18 2HG2 THR 3 2HG2 THR 3 13.339 -6.009 -6.452 19 3HG2 THR 3 3HG2 THR 3 13.809 -4.315 -6.711 20 H LYS 4 H LYS 4 9.787 -3.199 -8.939 21 HA LYS 4 HA LYS 4 7.550 -5.016 -8.951 22 1HB LYS 4 HB2 LYS 4 7.806 -2.267 -10.213 23 2HB LYS 4 HB3 LYS 4 6.303 -3.132 -9.850 24 1HG LYS 4 HG2 LYS 4 6.991 -3.133 -7.402 25 2HG LYS 4 HG3 LYS 4 8.308 -2.036 -7.823 26 1HD LYS 4 HD2 LYS 4 5.309 -1.562 -8.110 27 2HD LYS 4 HD3 LYS 4 6.423 -0.735 -7.018 28 1HE LYS 4 HE2 LYS 4 6.308 -0.500 -10.064 29 2HE LYS 4 HE3 LYS 4 5.878 0.732 -8.877 30 1HZ LYS 4 HZ1 LYS 4 8.577 -0.366 -9.282 31 2HZ LYS 4 HZ2 LYS 4 8.036 1.105 -9.795 32 3HZ LYS 4 HZ3 LYS 4 8.155 0.791 -8.182 33 H GLU 5 H GLU 5 9.836 -3.957 -11.428 34 HA GLU 5 HA GLU 5 8.200 -5.016 -13.612 35 1HB GLU 5 HB2 GLU 5 10.888 -3.610 -13.584 36 2HB GLU 5 HB3 GLU 5 10.064 -4.170 -15.047 37 1HG GLU 5 HG2 GLU 5 8.859 -2.161 -13.081 38 2HG GLU 5 HG3 GLU 5 9.691 -1.742 -14.581 39 H ILE 6 H ILE 6 11.076 -5.810 -11.969 40 HA ILE 6 HA ILE 6 11.527 -8.197 -13.670 41 HB ILE 6 HB ILE 6 13.283 -8.841 -12.087 42 1HG1 ILE 6 2HG1 ILE 6 13.239 -6.109 -10.838 43 2HG1 ILE 6 3HG1 ILE 6 12.170 -7.339 -10.163 44 1HG2 ILE 6 1HG2 ILE 6 14.839 -7.047 -12.799 45 2HG2 ILE 6 2HG2 ILE 6 13.764 -7.556 -14.109 46 3HG2 ILE 6 3HG2 ILE 6 13.455 -6.032 -13.255 47 1HD1 ILE 6 1HD1 ILE 6 14.087 -8.853 -9.820 48 2HD1 ILE 6 2HD1 ILE 6 15.181 -7.631 -10.509 49 3HD1 ILE 6 3HD1 ILE 6 14.326 -7.304 -8.989 50 H ARG 7 H ARG 7 9.231 -8.769 -13.388 51 HA ARG 7 HA ARG 7 8.382 -10.017 -10.892 52 1HB ARG 7 HB2 ARG 7 7.160 -9.956 -13.673 53 2HB ARG 7 HB3 ARG 7 6.401 -10.676 -12.238 54 1HG ARG 7 HG2 ARG 7 6.522 -8.526 -11.046 55 2HG ARG 7 HG3 ARG 7 7.282 -7.762 -12.451 56 1HD ARG 7 HD2 ARG 7 4.548 -9.084 -12.581 57 2HD ARG 7 HD3 ARG 7 4.758 -7.399 -12.123 58 HE ARG 7 HE ARG 7 5.077 -8.584 -14.784 59 1HH1 ARG 7 1HH1 ARG 7 5.144 -7.118 -16.531 60 2HH1 ARG 7 2HH1 ARG 7 5.517 -5.435 -16.263 61 1HH2 ARG 7 1HH2 ARG 7 5.898 -4.648 -14.093 62 2HH2 ARG 7 2HH2 ARG 7 5.993 -5.787 -12.785 63 H ILE 8 H ILE 8 10.609 -11.180 -11.080 64 HA ILE 8 HA ILE 8 10.525 -13.723 -12.527 65 HB ILE 8 HB ILE 8 12.680 -12.829 -12.254 66 1HG1 ILE 8 2HG1 ILE 8 12.394 -15.062 -10.211 67 2HG1 ILE 8 3HG1 ILE 8 12.586 -15.203 -11.966 68 1HG2 ILE 8 1HG2 ILE 8 13.651 -12.328 -9.900 69 2HG2 ILE 8 2HG2 ILE 8 12.603 -11.169 -10.673 70 3HG2 ILE 8 3HG2 ILE 8 11.958 -12.208 -9.397 71 1HD1 ILE 8 1HD1 ILE 8 14.807 -14.029 -11.763 72 2HD1 ILE 8 2HD1 ILE 8 14.668 -14.244 -9.996 73 3HD1 ILE 8 3HD1 ILE 8 14.695 -15.652 -11.056 74 HA PRO 9 HA PRO 9 7.920 -15.406 -9.275 75 1HB PRO 9 HB2 PRO 9 7.868 -18.046 -9.868 76 2HB PRO 9 HB3 PRO 9 7.161 -16.799 -10.927 77 1HG PRO 9 HG2 PRO 9 9.928 -18.017 -11.154 78 2HG PRO 9 HG3 PRO 9 8.672 -17.931 -12.428 79 1HD PRO 9 HD2 PRO 9 10.622 -16.077 -12.278 80 2HD PRO 9 HD3 PRO 9 8.952 -15.577 -12.656 81 H THR 10 H THR 10 10.377 -14.646 -8.177 82 HA THR 10 HA THR 10 11.688 -16.907 -6.930 83 HB THR 10 HB THR 10 12.105 -14.163 -5.811 84 HG1 THR 10 HG1 THR 10 12.195 -13.198 -7.594 85 1HG2 THR 10 1HG2 THR 10 13.624 -16.107 -5.429 86 2HG2 THR 10 2HG2 THR 10 13.939 -16.157 -7.184 87 3HG2 THR 10 3HG2 THR 10 14.430 -14.741 -6.235 88 H LEU 11 H LEU 11 9.572 -17.797 -6.163 89 HA LEU 11 HA LEU 11 8.049 -16.359 -4.205 90 1HB LEU 11 HB2 LEU 11 8.106 -19.356 -4.630 91 2HB LEU 11 HB3 LEU 11 6.875 -18.408 -3.781 92 HG LEU 11 HG LEU 11 7.516 -18.421 -6.749 93 1HD1 LEU 11 1HD1 LEU 11 5.153 -19.035 -6.960 94 2HD1 LEU 11 2HD1 LEU 11 5.994 -20.161 -5.882 95 3HD1 LEU 11 3HD1 LEU 11 4.937 -18.906 -5.203 96 1HD2 LEU 11 1HD2 LEU 11 5.688 -16.661 -6.954 97 2HD2 LEU 11 2HD2 LEU 11 5.893 -16.369 -5.207 98 3HD2 LEU 11 3HD2 LEU 11 7.235 -16.090 -6.331 99 H GLU 12 H GLU 12 8.432 -15.933 -2.156 100 HA GLU 12 HA GLU 12 10.389 -17.583 -0.602 101 1HB GLU 12 HB2 GLU 12 9.908 -14.573 -0.572 102 2HB GLU 12 HB3 GLU 12 10.905 -15.452 0.600 103 1HG GLU 12 HG2 GLU 12 12.371 -16.259 -1.244 104 2HG GLU 12 HG3 GLU 12 11.405 -15.346 -2.411 105 H GLU 13 H GLU 13 9.806 -18.005 1.519 106 HA GLU 13 HA GLU 13 6.988 -18.147 2.007 107 1HB GLU 13 HB2 GLU 13 8.836 -19.806 2.722 108 2HB GLU 13 HB3 GLU 13 9.246 -18.644 3.994 109 1HG GLU 13 HG2 GLU 13 7.809 -20.280 4.971 110 2HG GLU 13 HG3 GLU 13 6.819 -18.834 4.784 111 H CYS 14 H CYS 14 5.663 -16.763 3.224 112 HA CYS 14 HA CYS 14 6.828 -14.233 4.098 113 1HB CYS 14 HB2 CYS 14 4.598 -14.466 2.985 114 2HB CYS 14 HB3 CYS 14 4.037 -15.276 4.440 115 H ASP 15 H ASP 15 8.280 -14.964 5.658 116 HA ASP 15 HA ASP 15 7.933 -16.557 7.890 117 1HB ASP 15 HB2 ASP 15 9.766 -15.390 8.890 118 2HB ASP 15 HB3 ASP 15 10.070 -15.459 7.151 119 H VAL 16 H VAL 16 6.851 -13.237 7.426 120 HA VAL 16 HA VAL 16 6.116 -12.461 9.994 121 HB VAL 16 HB VAL 16 4.766 -11.882 7.326 122 1HG1 VAL 16 1HG1 VAL 16 4.530 -10.396 9.961 123 2HG1 VAL 16 2HG1 VAL 16 3.926 -9.821 8.392 124 3HG1 VAL 16 3HG1 VAL 16 3.228 -11.274 9.109 125 1HG2 VAL 16 1HG2 VAL 16 6.946 -10.448 8.908 126 2HG2 VAL 16 2HG2 VAL 16 7.105 -11.177 7.295 127 3HG2 VAL 16 3HG2 VAL 16 6.104 -9.742 7.522 128 H CYS 17 H CYS 17 4.230 -14.513 7.696 129 HA CYS 17 HA CYS 17 2.271 -15.093 9.907 130 1HB CYS 17 HB2 CYS 17 0.877 -16.039 8.134 131 2HB CYS 17 HB3 CYS 17 1.176 -14.312 7.967 132 H HIS 18 H HIS 18 5.135 -16.146 9.275 133 HA HIS 18 HA HIS 18 6.263 -18.069 9.420 134 1HB HIS 18 HB2 HIS 18 3.851 -19.265 10.774 135 2HB HIS 18 HB3 HIS 18 5.560 -19.471 11.173 136 HD1 HIS 18 HD1 HIS 18 6.152 -16.215 11.350 137 HD2 HIS 18 HD2 HIS 18 2.791 -18.225 12.881 138 HE1 HIS 18 HE1 HIS 18 5.112 -14.679 13.088 139 H GLY 19 H GLY 19 4.805 -17.582 7.016 140 1HA GLY 19 HA2 GLY 19 4.465 -18.636 5.045 141 2HA GLY 19 HA3 GLY 19 4.943 -20.174 5.788 142 H SER 20 H SER 20 2.353 -19.147 7.698 143 HA SER 20 HA SER 20 0.643 -21.124 6.429 144 1HB SER 20 HB2 SER 20 -1.011 -20.488 8.105 145 2HB SER 20 HB3 SER 20 0.553 -20.798 8.856 146 HG SER 20 HG SER 20 0.836 -18.570 9.103 147 H GLY 21 H GLY 21 0.211 -17.736 7.085 148 1HA GLY 21 HA2 GLY 21 -0.460 -16.206 5.111 149 2HA GLY 21 HA3 GLY 21 -1.768 -17.369 4.870 150 H ALA 22 H ALA 22 -1.453 -17.637 8.118 151 HA ALA 22 HA ALA 22 -3.635 -15.769 8.649 152 1HB ALA 22 HB1 ALA 22 -2.150 -17.767 10.392 153 2HB ALA 22 HB2 ALA 22 -3.583 -16.842 10.881 154 3HB ALA 22 HB3 ALA 22 -3.704 -18.016 9.563 155 H LYS 23 H LYS 23 -3.433 -13.870 9.957 156 HA LYS 23 HA LYS 23 -1.034 -12.500 9.854 157 1HB LYS 23 HB2 LYS 23 -1.980 -10.913 11.493 158 2HB LYS 23 HB3 LYS 23 -3.104 -11.341 10.210 159 1HG LYS 23 HG2 LYS 23 -4.384 -12.715 11.612 160 2HG LYS 23 HG3 LYS 23 -3.155 -12.813 12.859 161 1HD LYS 23 HD2 LYS 23 -4.760 -10.321 12.147 162 2HD LYS 23 HD3 LYS 23 -5.042 -11.393 13.523 163 1HE LYS 23 HE2 LYS 23 -2.675 -9.524 13.107 164 2HE LYS 23 HE3 LYS 23 -3.891 -9.505 14.382 165 1HZ LYS 23 HZ1 LYS 23 -1.798 -11.526 14.000 166 2HZ LYS 23 HZ2 LYS 23 -1.914 -10.429 15.220 167 3HZ LYS 23 HZ3 LYS 23 -3.003 -11.664 15.102 168 HA PRO 24 HA PRO 24 2.127 -13.683 12.548 169 1HB PRO 24 HB2 PRO 24 1.547 -11.104 14.045 170 2HB PRO 24 HB3 PRO 24 3.142 -11.870 13.761 171 1HG PRO 24 HG2 PRO 24 2.278 -9.948 12.060 172 2HG PRO 24 HG3 PRO 24 3.008 -11.449 11.426 173 1HD PRO 24 HD2 PRO 24 0.139 -10.646 11.493 174 2HD PRO 24 HD3 PRO 24 1.002 -11.635 10.279 175 H GLY 25 H GLY 25 2.280 -15.164 14.099 176 1HA GLY 25 HA2 GLY 25 1.838 -16.476 15.863 177 2HA GLY 25 HA3 GLY 25 1.522 -14.979 16.748 178 H THR 26 H THR 26 -0.724 -15.496 14.118 179 HA THR 26 HA THR 26 -2.778 -16.442 16.084 180 HB THR 26 HB THR 26 -3.200 -14.951 13.495 181 HG1 THR 26 HG1 THR 26 -1.868 -13.751 15.036 182 1HG2 THR 26 1HG2 THR 26 -4.892 -15.259 16.019 183 2HG2 THR 26 2HG2 THR 26 -5.338 -14.331 14.573 184 3HG2 THR 26 3HG2 THR 26 -5.174 -16.095 14.474 185 H GLN 27 H GLN 27 -3.537 -18.410 15.758 186 HA GLN 27 HA GLN 27 -2.518 -20.064 13.708 187 1HB GLN 27 HB2 GLN 27 -3.850 -21.786 14.677 188 2HB GLN 27 HB3 GLN 27 -3.256 -20.778 15.995 189 1HG GLN 27 HG2 GLN 27 -6.068 -20.834 14.809 190 2HG GLN 27 HG3 GLN 27 -5.561 -21.423 16.389 191 1HE2 GLN 27 1HE2 GLN 27 -7.109 -17.862 16.411 192 2HE2 GLN 27 2HE2 GLN 27 -7.522 -19.217 15.365 193 HA PRO 28 HA PRO 28 -5.715 -19.360 10.564 194 1HB PRO 28 HB2 PRO 28 -5.426 -21.458 8.988 195 2HB PRO 28 HB3 PRO 28 -4.117 -20.245 9.069 196 1HG PRO 28 HG2 PRO 28 -4.239 -22.877 10.579 197 2HG PRO 28 HG3 PRO 28 -2.865 -22.229 9.632 198 1HD PRO 28 HD2 PRO 28 -3.065 -21.940 12.345 199 2HD PRO 28 HD3 PRO 28 -2.356 -20.649 11.325 200 H GLN 29 H GLN 29 -7.777 -20.576 9.901 201 HA GLN 29 HA GLN 29 -8.750 -22.090 12.296 202 1HB GLN 29 HB2 GLN 29 -9.979 -20.361 10.164 203 2HB GLN 29 HB3 GLN 29 -10.971 -21.527 11.038 204 1HG GLN 29 HG2 GLN 29 -10.799 -19.089 11.969 205 2HG GLN 29 HG3 GLN 29 -10.767 -20.469 13.063 206 1HE2 GLN 29 1HE2 GLN 29 -7.236 -18.363 12.643 207 2HE2 GLN 29 2HE2 GLN 29 -8.390 -18.291 11.317 208 H THR 30 H THR 30 -8.675 -24.265 12.212 209 HA THR 30 HA THR 30 -8.093 -25.865 10.080 210 HB THR 30 HB THR 30 -10.080 -26.600 12.275 211 HG1 THR 30 HG1 THR 30 -7.258 -26.308 12.496 212 1HG2 THR 30 1HG2 THR 30 -8.823 -28.733 12.283 213 2HG2 THR 30 2HG2 THR 30 -9.524 -28.405 10.690 214 3HG2 THR 30 3HG2 THR 30 -7.786 -28.142 10.967 215 H CYS 31 H CYS 31 -9.192 -26.411 8.171 216 HA CYS 31 HA CYS 31 -11.779 -25.358 7.660 217 1HB CYS 31 HB2 CYS 31 -10.089 -25.883 5.939 218 2HB CYS 31 HB3 CYS 31 -10.323 -27.602 6.251 219 HA PRO 32 HA PRO 32 -13.757 -28.774 9.900 220 1HB PRO 32 HB2 PRO 32 -16.340 -27.964 9.900 221 2HB PRO 32 HB3 PRO 32 -15.066 -27.161 10.873 222 1HG PRO 32 HG2 PRO 32 -16.122 -26.280 8.168 223 2HG PRO 32 HG3 PRO 32 -15.936 -25.295 9.646 224 1HD PRO 32 HD2 PRO 32 -14.043 -25.356 7.679 225 2HD PRO 32 HD3 PRO 32 -13.601 -25.192 9.403 226 H THR 33 H THR 33 -14.859 -27.518 6.718 227 HA THR 33 HA THR 33 -16.509 -29.444 5.799 228 HB THR 33 HB THR 33 -14.305 -28.283 4.073 229 HG1 THR 33 HG1 THR 33 -16.530 -26.903 5.169 230 1HG2 THR 33 1HG2 THR 33 -16.045 -29.631 2.951 231 2HG2 THR 33 2HG2 THR 33 -17.309 -28.598 3.648 232 3HG2 THR 33 3HG2 THR 33 -16.148 -27.923 2.486 233 H CYS 34 H CYS 34 -12.943 -29.710 5.977 234 HA CYS 34 HA CYS 34 -13.155 -32.595 5.137 235 1HB CYS 34 HB2 CYS 34 -10.808 -32.335 4.379 236 2HB CYS 34 HB3 CYS 34 -11.966 -31.447 3.410 237 H HIS 35 H HIS 35 -13.218 -31.030 7.863 238 HA HIS 35 HA HIS 35 -12.309 -31.207 9.950 239 1HB HIS 35 HB2 HIS 35 -11.807 -34.078 9.054 240 2HB HIS 35 HB3 HIS 35 -11.890 -33.498 10.716 241 HD1 HIS 35 HD1 HIS 35 -14.728 -31.852 9.095 242 HD2 HIS 35 HD2 HIS 35 -13.765 -35.729 10.429 243 HE1 HIS 35 HE1 HIS 35 -16.928 -33.085 9.404 244 H GLY 36 H GLY 36 -10.514 -29.934 8.366 245 1HA GLY 36 HA2 GLY 36 -8.305 -29.279 8.473 246 2HA GLY 36 HA3 GLY 36 -7.956 -30.593 9.600 247 H SER 37 H SER 37 -8.623 -32.838 8.082 248 HA SER 37 HA SER 37 -6.528 -33.787 6.942 249 1HB SER 37 HB2 SER 37 -9.149 -34.333 5.549 250 2HB SER 37 HB3 SER 37 -7.863 -35.459 6.038 251 HG SER 37 HG SER 37 -9.880 -34.210 7.536 252 H GLY 38 H GLY 38 -8.597 -31.659 5.020 253 1HA GLY 38 HA2 GLY 38 -7.747 -30.179 3.386 254 2HA GLY 38 HA3 GLY 38 -6.380 -31.236 3.088 255 H GLN 39 H GLN 39 -9.166 -33.191 3.008 256 HA GLN 39 HA GLN 39 -9.806 -32.609 0.201 257 1HB GLN 39 HB2 GLN 39 -9.379 -34.896 -0.532 258 2HB GLN 39 HB3 GLN 39 -7.909 -34.043 -0.077 259 1HG GLN 39 HG2 GLN 39 -9.348 -36.183 1.546 260 2HG GLN 39 HG3 GLN 39 -7.837 -36.373 0.648 261 1HE2 GLN 39 1HE2 GLN 39 -5.951 -34.349 3.077 262 2HE2 GLN 39 2HE2 GLN 39 -6.082 -34.547 1.328 263 H VAL 40 H VAL 40 -11.678 -33.582 -0.532 264 HA VAL 40 HA VAL 40 -13.637 -34.269 1.627 265 HB VAL 40 HB VAL 40 -15.283 -33.289 -0.020 266 1HG1 VAL 40 1HG1 VAL 40 -13.150 -31.391 1.042 267 2HG1 VAL 40 2HG1 VAL 40 -14.810 -30.954 0.591 268 3HG1 VAL 40 3HG1 VAL 40 -14.522 -32.039 1.964 269 1HG2 VAL 40 1HG2 VAL 40 -13.779 -33.380 -2.061 270 2HG2 VAL 40 2HG2 VAL 40 -14.509 -31.798 -1.775 271 3HG2 VAL 40 3HG2 VAL 40 -12.813 -32.076 -1.360 272 H GLN 41 H GLN 41 -14.728 -36.173 1.376 273 HA GLN 41 HA GLN 41 -14.179 -37.801 -1.048 274 1HB GLN 41 HB2 GLN 41 -13.238 -38.552 1.034 275 2HB GLN 41 HB3 GLN 41 -14.853 -38.654 1.761 276 1HG GLN 41 HG2 GLN 41 -15.486 -40.432 0.191 277 2HG GLN 41 HG3 GLN 41 -14.009 -40.196 -0.746 278 1HE2 GLN 41 1HE2 GLN 41 -12.670 -42.912 1.079 279 2HE2 GLN 41 2HE2 GLN 41 -13.248 -42.350 -0.487 280 H MET 42 H MET 42 -15.827 -37.046 -2.368 281 HA MET 42 HA MET 42 -18.541 -36.752 -1.315 282 1HB MET 42 HB2 MET 42 -17.469 -36.458 -4.141 283 2HB MET 42 HB3 MET 42 -19.051 -35.923 -3.555 284 1HG MET 42 HG2 MET 42 -16.319 -34.862 -2.738 285 2HG MET 42 HG3 MET 42 -17.563 -34.030 -3.675 286 1HE MET 42 HE1 MET 42 -20.220 -34.710 -1.899 287 2HE MET 42 HE2 MET 42 -19.841 -33.135 -2.646 288 3HE MET 42 HE3 MET 42 -20.242 -33.231 -0.916 289 H ARG 43 H ARG 43 -18.159 -39.232 -0.752 290 HA ARG 43 HA ARG 43 -20.334 -40.510 -1.664 291 1HB ARG 43 HB2 ARG 43 -18.158 -41.069 -3.551 292 2HB ARG 43 HB3 ARG 43 -18.954 -42.522 -2.912 293 1HG ARG 43 HG2 ARG 43 -21.042 -42.020 -3.736 294 2HG ARG 43 HG3 ARG 43 -20.734 -40.300 -3.858 295 1HD ARG 43 HD2 ARG 43 -18.978 -40.865 -5.664 296 2HD ARG 43 HD3 ARG 43 -19.649 -42.494 -5.654 297 HE ARG 43 HE ARG 43 -21.451 -41.712 -6.860 298 1HH1 ARG 43 1HH1 ARG 43 -20.759 -37.751 -6.234 299 2HH1 ARG 43 2HH1 ARG 43 -19.937 -38.909 -5.232 300 1HH2 ARG 43 1HH2 ARG 43 -22.587 -40.162 -8.074 301 2HH2 ARG 43 2HH2 ARG 43 -22.329 -38.460 -7.815 302 H GLN 44 H GLN 44 -20.441 -42.869 -0.901 303 HA GLN 44 HA GLN 44 -18.496 -43.674 1.069 304 1HB GLN 44 HB2 GLN 44 -19.812 -43.304 3.028 305 2HB GLN 44 HB3 GLN 44 -19.671 -41.757 2.190 306 1HG GLN 44 HG2 GLN 44 -22.137 -43.561 2.222 307 2HG GLN 44 HG3 GLN 44 -21.891 -42.081 3.133 308 1HE2 GLN 44 1HE2 GLN 44 -23.036 -41.843 -0.788 309 2HE2 GLN 44 2HE2 GLN 44 -22.520 -43.388 -0.101 310 H GLY 45 H GLY 45 -18.954 -45.819 1.769 311 1HA GLY 45 HA2 GLY 45 -19.636 -47.979 1.358 312 2HA GLY 45 HA3 GLY 45 -21.253 -47.318 1.661 313 H PHE 46 H PHE 46 -19.015 -46.631 -1.012 314 HA PHE 46 HA PHE 46 -20.153 -48.158 -3.074 315 1HB PHE 46 HB2 PHE 46 -22.132 -46.656 -2.693 316 2HB PHE 46 HB3 PHE 46 -21.084 -45.253 -2.826 317 HD1 PHE 46 HD1 PHE 46 -21.459 -48.376 -4.960 318 HD2 PHE 46 HD2 PHE 46 -21.818 -44.074 -4.739 319 HE1 PHE 46 HE1 PHE 46 -21.673 -48.256 -7.417 320 HE2 PHE 46 HE2 PHE 46 -22.072 -43.980 -7.197 321 HZ PHE 46 HZ PHE 46 -21.987 -46.067 -8.542 322 H PHE 47 H PHE 47 -19.495 -45.806 -4.982 323 HA PHE 47 HA PHE 47 -16.604 -46.160 -4.969 324 1HB PHE 47 HB2 PHE 47 -18.360 -44.358 -6.666 325 2HB PHE 47 HB3 PHE 47 -16.694 -44.819 -6.994 326 HD1 PHE 47 HD1 PHE 47 -17.483 -47.922 -6.096 327 HD2 PHE 47 HD2 PHE 47 -18.849 -45.022 -8.995 328 HE1 PHE 47 HE1 PHE 47 -18.304 -49.740 -7.535 329 HE2 PHE 47 HE2 PHE 47 -19.640 -46.865 -10.447 330 HZ PHE 47 HZ PHE 47 -19.383 -49.227 -9.715 331 H ALA 48 H ALA 48 -16.452 -45.285 -2.758 332 HA ALA 48 HA ALA 48 -16.910 -42.552 -2.081 333 1HB ALA 48 HB1 ALA 48 -14.968 -44.513 -0.837 334 2HB ALA 48 HB2 ALA 48 -15.668 -43.051 -0.096 335 3HB ALA 48 HB3 ALA 48 -16.709 -44.424 -0.494 336 H VAL 49 H VAL 49 -16.044 -41.688 -4.230 337 HA VAL 49 HA VAL 49 -13.153 -41.445 -4.432 338 HB VAL 49 HB VAL 49 -13.787 -39.946 -6.311 339 1HG1 VAL 49 1HG1 VAL 49 -13.252 -42.295 -6.550 340 2HG1 VAL 49 2HG1 VAL 49 -14.948 -42.742 -6.282 341 3HG1 VAL 49 3HG1 VAL 49 -14.489 -41.827 -7.743 342 1HG2 VAL 49 1HG2 VAL 49 -16.657 -40.829 -5.912 343 2HG2 VAL 49 2HG2 VAL 49 -16.040 -39.211 -5.514 344 3HG2 VAL 49 3HG2 VAL 49 -16.002 -39.799 -7.184 345 H GLN 50 H GLN 50 -12.101 -39.293 -4.574 346 HA GLN 50 HA GLN 50 -13.387 -37.249 -2.954 347 1HB GLN 50 HB2 GLN 50 -11.711 -37.376 -1.166 348 2HB GLN 50 HB3 GLN 50 -12.185 -39.045 -1.501 349 1HG GLN 50 HG2 GLN 50 -10.145 -39.168 -3.036 350 2HG GLN 50 HG3 GLN 50 -9.713 -37.555 -2.418 351 1HE2 GLN 50 1HE2 GLN 50 -9.605 -40.716 0.265 352 2HE2 GLN 50 2HE2 GLN 50 -10.816 -40.732 -1.003 353 H GLN 51 H GLN 51 -12.131 -35.264 -2.799 354 HA GLN 51 HA GLN 51 -10.043 -34.908 -4.856 355 1HB GLN 51 HB2 GLN 51 -12.208 -32.826 -4.823 356 2HB GLN 51 HB3 GLN 51 -11.085 -33.282 -6.093 357 1HG GLN 51 HG2 GLN 51 -13.154 -33.935 -6.935 358 2HG GLN 51 HG3 GLN 51 -12.492 -35.455 -6.347 359 1HE2 GLN 51 1HE2 GLN 51 -15.572 -33.563 -4.267 360 2HE2 GLN 51 2HE2 GLN 51 -14.401 -32.613 -5.157 361 H THR 52 H THR 52 -8.989 -32.745 -4.593 362 HA THR 52 HA THR 52 -8.270 -32.134 -1.975 363 HB THR 52 HB THR 52 -8.324 -30.289 -4.416 364 HG1 THR 52 HG1 THR 52 -6.297 -31.316 -4.864 365 1HG2 THR 52 1HG2 THR 52 -6.208 -29.421 -3.427 366 2HG2 THR 52 2HG2 THR 52 -7.595 -29.200 -2.344 367 3HG2 THR 52 3HG2 THR 52 -6.431 -30.515 -2.039 368 H CYS 53 H CYS 53 -9.112 -30.630 -0.423 369 HA CYS 53 HA CYS 53 -11.852 -29.843 -0.796 370 1HB CYS 53 HB2 CYS 53 -10.917 -30.393 1.402 371 2HB CYS 53 HB3 CYS 53 -9.871 -28.974 1.304 372 HA PRO 54 HA PRO 54 -10.546 -26.087 -2.999 373 1HB PRO 54 HB2 PRO 54 -12.983 -25.000 -3.586 374 2HB PRO 54 HB3 PRO 54 -12.325 -26.437 -4.419 375 1HG PRO 54 HG2 PRO 54 -14.296 -26.387 -2.121 376 2HG PRO 54 HG3 PRO 54 -14.406 -27.311 -3.643 377 1HD PRO 54 HD2 PRO 54 -13.471 -28.425 -1.345 378 2HD PRO 54 HD3 PRO 54 -12.778 -28.861 -2.935 379 H HIS 55 H HIS 55 -12.964 -26.028 -0.383 380 HA HIS 55 HA HIS 55 -13.119 -23.385 0.259 381 1HB HIS 55 HB2 HIS 55 -14.381 -25.317 1.231 382 2HB HIS 55 HB3 HIS 55 -12.977 -25.693 2.233 383 HD1 HIS 55 HD1 HIS 55 -14.864 -25.379 4.244 384 HD2 HIS 55 HD2 HIS 55 -13.738 -21.951 2.057 385 HE1 HIS 55 HE1 HIS 55 -15.626 -23.355 5.592 386 H CYS 56 H CYS 56 -10.519 -25.596 1.263 387 HA CYS 56 HA CYS 56 -8.927 -23.287 2.371 388 1HB CYS 56 HB2 CYS 56 -7.715 -25.006 3.646 389 2HB CYS 56 HB3 CYS 56 -9.399 -24.816 4.118 390 H GLN 57 H GLN 57 -9.232 -24.422 -0.498 391 HA GLN 57 HA GLN 57 -7.922 -25.044 -2.245 392 1HB GLN 57 HB2 GLN 57 -5.964 -23.162 -0.868 393 2HB GLN 57 HB3 GLN 57 -6.015 -23.580 -2.579 394 1HG GLN 57 HG2 GLN 57 -6.983 -21.446 -2.439 395 2HG GLN 57 HG3 GLN 57 -8.334 -22.551 -2.697 396 1HE2 GLN 57 1HE2 GLN 57 -9.988 -21.570 0.304 397 2HE2 GLN 57 2HE2 GLN 57 -10.031 -22.467 -1.193 398 H GLY 58 H GLY 58 -7.840 -27.069 -0.416 399 1HA GLY 58 HA2 GLY 58 -6.693 -29.006 -0.023 400 2HA GLY 58 HA3 GLY 58 -5.417 -28.436 -1.109 401 H ARG 59 H ARG 59 -5.440 -26.022 1.215 402 HA ARG 59 HA ARG 59 -3.023 -27.043 2.413 403 1HB ARG 59 HB2 ARG 59 -4.849 -24.776 3.290 404 2HB ARG 59 HB3 ARG 59 -3.217 -25.095 3.896 405 1HG ARG 59 HG2 ARG 59 -2.298 -24.717 1.607 406 2HG ARG 59 HG3 ARG 59 -3.925 -24.276 1.050 407 1HD ARG 59 HD2 ARG 59 -2.349 -22.906 3.285 408 2HD ARG 59 HD3 ARG 59 -2.595 -22.249 1.675 409 HE ARG 59 HE ARG 59 -4.547 -22.453 3.891 410 1HH1 ARG 59 1HH1 ARG 59 -6.732 -22.033 3.534 411 2HH1 ARG 59 2HH1 ARG 59 -7.234 -21.313 1.989 412 1HH2 ARG 59 1HH2 ARG 59 -4.085 -21.508 0.497 413 2HH2 ARG 59 2HH2 ARG 59 -5.777 -21.063 0.318 414 H GLY 60 H GLY 60 -6.384 -26.819 3.421 415 1HA GLY 60 HA2 GLY 60 -7.410 -28.417 4.989 416 2HA GLY 60 HA3 GLY 60 -5.857 -28.537 5.818 417 H THR 61 H THR 61 -5.560 -25.491 5.386 418 HA THR 61 HA THR 61 -6.963 -24.639 7.845 419 HB THR 61 HB THR 61 -4.963 -22.950 7.626 420 HG1 THR 61 HG1 THR 61 -4.546 -23.504 5.459 421 1HG2 THR 61 1HG2 THR 61 -3.375 -24.543 8.617 422 2HG2 THR 61 2HG2 THR 61 -4.999 -24.780 9.293 423 3HG2 THR 61 3HG2 THR 61 -4.368 -25.910 8.070 424 H LEU 62 H LEU 62 -8.313 -22.948 7.773 425 HA LEU 62 HA LEU 62 -8.748 -21.442 5.264 426 1HB LEU 62 HB2 LEU 62 -10.291 -21.440 7.888 427 2HB LEU 62 HB3 LEU 62 -10.729 -20.556 6.430 428 HG LEU 62 HG LEU 62 -10.522 -23.593 6.573 429 1HD1 LEU 62 1HD1 LEU 62 -13.003 -23.529 6.597 430 2HD1 LEU 62 2HD1 LEU 62 -12.309 -22.781 8.050 431 3HD1 LEU 62 3HD1 LEU 62 -12.955 -21.762 6.743 432 1HD2 LEU 62 1HD2 LEU 62 -11.783 -21.743 4.491 433 2HD2 LEU 62 2HD2 LEU 62 -10.271 -22.637 4.271 434 3HD2 LEU 62 3HD2 LEU 62 -11.785 -23.520 4.460 435 H ILE 63 H ILE 63 -7.729 -19.626 5.000 436 HA ILE 63 HA ILE 63 -6.309 -18.254 7.152 437 HB ILE 63 HB ILE 63 -6.657 -17.582 4.196 438 1HG1 ILE 63 2HG1 ILE 63 -5.631 -19.806 4.397 439 2HG1 ILE 63 3HG1 ILE 63 -4.504 -18.607 3.789 440 1HG2 ILE 63 1HG2 ILE 63 -4.376 -16.443 4.677 441 2HG2 ILE 63 2HG2 ILE 63 -5.856 -15.642 5.206 442 3HG2 ILE 63 3HG2 ILE 63 -4.857 -16.516 6.386 443 1HD1 ILE 63 1HD1 ILE 63 -4.596 -19.681 6.637 444 2HD1 ILE 63 2HD1 ILE 63 -3.397 -20.052 5.387 445 3HD1 ILE 63 3HD1 ILE 63 -3.489 -18.414 6.052 446 H LYS 64 H LYS 64 -8.570 -18.155 8.193 447 HA LYS 64 HA LYS 64 -10.540 -16.340 7.240 448 1HB LYS 64 HB2 LYS 64 -10.824 -18.106 9.006 449 2HB LYS 64 HB3 LYS 64 -9.940 -17.065 10.140 450 1HG LYS 64 HG2 LYS 64 -11.675 -15.297 9.829 451 2HG LYS 64 HG3 LYS 64 -12.533 -16.353 8.689 452 1HD LYS 64 HD2 LYS 64 -12.772 -18.064 10.512 453 2HD LYS 64 HD3 LYS 64 -12.012 -16.934 11.647 454 1HE LYS 64 HE2 LYS 64 -14.611 -16.454 10.106 455 2HE LYS 64 HE3 LYS 64 -14.487 -16.913 11.811 456 1HZ LYS 64 HZ1 LYS 64 -14.804 -14.583 11.576 457 2HZ LYS 64 HZ2 LYS 64 -13.311 -14.867 12.213 458 3HZ LYS 64 HZ3 LYS 64 -13.464 -14.427 10.632 459 H ASP 65 H ASP 65 -7.650 -15.854 9.175 460 HA ASP 65 HA ASP 65 -8.070 -12.911 9.430 461 1HB ASP 65 HB2 ASP 65 -6.558 -13.119 11.317 462 2HB ASP 65 HB3 ASP 65 -7.973 -14.145 11.510 463 HA PRO 66 HA PRO 66 -4.875 -13.943 6.213 464 1HB PRO 66 HB2 PRO 66 -5.380 -11.925 4.389 465 2HB PRO 66 HB3 PRO 66 -6.276 -13.465 4.467 466 1HG PRO 66 HG2 PRO 66 -7.032 -10.837 5.773 467 2HG PRO 66 HG3 PRO 66 -8.054 -11.875 4.729 468 1HD PRO 66 HD2 PRO 66 -8.258 -12.061 7.385 469 2HD PRO 66 HD3 PRO 66 -8.186 -13.558 6.406 470 H CYS 67 H CYS 67 -2.875 -13.439 6.138 471 HA CYS 67 HA CYS 67 -1.707 -11.127 7.448 472 1HB CYS 67 HB2 CYS 67 -0.655 -13.312 7.464 473 2HB CYS 67 HB3 CYS 67 -0.625 -13.365 5.703 474 H ASN 68 H ASN 68 -2.630 -9.408 6.324 475 HA ASN 68 HA ASN 68 -3.061 -8.833 3.735 476 1HB ASN 68 HB2 ASN 68 -3.498 -7.223 5.507 477 2HB ASN 68 HB3 ASN 68 -1.762 -6.994 5.779 478 1HD2 ASN 68 1HD2 ASN 68 -3.521 -5.268 2.466 479 2HD2 ASN 68 2HD2 ASN 68 -4.341 -6.593 3.270 480 H LYS 69 H LYS 69 0.185 -8.560 5.226 481 HA LYS 69 HA LYS 69 1.704 -7.483 3.236 482 1HB LYS 69 HB2 LYS 69 2.520 -8.162 5.459 483 2HB LYS 69 HB3 LYS 69 2.482 -9.863 4.954 484 1HG LYS 69 HG2 LYS 69 4.148 -9.380 3.175 485 2HG LYS 69 HG3 LYS 69 4.135 -7.665 3.632 486 1HD LYS 69 HD2 LYS 69 5.038 -8.229 5.852 487 2HD LYS 69 HD3 LYS 69 4.881 -9.959 5.500 488 1HE LYS 69 HE2 LYS 69 7.216 -9.258 5.237 489 2HE LYS 69 HE3 LYS 69 6.548 -9.782 3.684 490 1HZ LYS 69 HZ1 LYS 69 6.239 -7.485 3.112 491 2HZ LYS 69 HZ2 LYS 69 6.825 -6.993 4.572 492 3HZ LYS 69 HZ3 LYS 69 7.813 -7.767 3.506 493 H CYS 70 H CYS 70 0.644 -10.919 3.372 494 HA CYS 70 HA CYS 70 1.644 -11.287 0.551 495 1HB CYS 70 HB2 CYS 70 1.805 -13.638 1.052 496 2HB CYS 70 HB3 CYS 70 2.817 -12.744 2.172 497 H HIS 71 H HIS 71 -1.066 -10.348 1.930 498 HA HIS 71 HA HIS 71 -3.308 -10.654 1.618 499 1HB HIS 71 HB2 HIS 71 -2.378 -11.920 -0.986 500 2HB HIS 71 HB3 HIS 71 -4.009 -11.338 -0.649 501 HD1 HIS 71 HD1 HIS 71 -1.717 -8.751 0.664 502 HD2 HIS 71 HD2 HIS 71 -3.190 -9.989 -3.085 503 HE1 HIS 71 HE1 HIS 71 -1.380 -6.802 -0.932 504 H GLY 72 H GLY 72 -1.929 -12.701 3.152 505 1HA GLY 72 HA2 GLY 72 -2.308 -14.752 4.018 506 2HA GLY 72 HA3 GLY 72 -3.919 -14.702 3.279 507 H HIS 73 H HIS 73 -1.240 -14.495 1.003 508 HA HIS 73 HA HIS 73 -1.899 -17.126 -0.084 509 1HB HIS 73 HB2 HIS 73 0.186 -15.067 -0.906 510 2HB HIS 73 HB3 HIS 73 -0.195 -16.548 -1.774 511 HD1 HIS 73 HD1 HIS 73 -3.215 -14.563 -0.521 512 HD2 HIS 73 HD2 HIS 73 -0.807 -15.088 -3.941 513 HE1 HIS 73 HE1 HIS 73 -4.494 -13.569 -2.474 514 H GLY 74 H GLY 74 0.045 -16.239 2.471 515 1HA GLY 74 HA2 GLY 74 1.495 -17.561 3.725 516 2HA GLY 74 HA3 GLY 74 1.416 -18.821 2.495 517 H ARG 75 H ARG 75 2.333 -17.369 0.258 518 HA ARG 75 HA ARG 75 5.164 -16.707 0.965 519 1HB ARG 75 HB2 ARG 75 5.602 -17.437 -1.464 520 2HB ARG 75 HB3 ARG 75 5.334 -18.668 -0.240 521 1HG ARG 75 HG2 ARG 75 4.250 -19.173 -2.378 522 2HG ARG 75 HG3 ARG 75 3.137 -19.146 -1.013 523 1HD ARG 75 HD2 ARG 75 2.086 -18.179 -2.941 524 2HD ARG 75 HD3 ARG 75 2.273 -16.937 -1.737 525 HE ARG 75 HE ARG 75 4.210 -17.294 -4.004 526 1HH1 ARG 75 1HH1 ARG 75 3.905 -15.891 -5.782 527 2HH1 ARG 75 2HH1 ARG 75 3.056 -14.385 -5.578 528 1HH2 ARG 75 1HH2 ARG 75 2.323 -14.940 -2.176 529 2HH2 ARG 75 2HH2 ARG 75 1.956 -13.940 -3.558 530 H VAL 76 H VAL 76 6.241 -15.349 -0.713 531 HA VAL 76 HA VAL 76 4.478 -13.322 -1.980 532 HB VAL 76 HB VAL 76 6.035 -11.550 -1.249 533 1HG1 VAL 76 1HG1 VAL 76 4.819 -13.026 1.108 534 2HG1 VAL 76 2HG1 VAL 76 5.176 -11.291 1.009 535 3HG1 VAL 76 3HG1 VAL 76 3.917 -11.990 -0.027 536 1HG2 VAL 76 1HG2 VAL 76 7.549 -11.898 0.667 537 2HG2 VAL 76 2HG2 VAL 76 7.231 -13.639 0.634 538 3HG2 VAL 76 3HG2 VAL 76 8.065 -12.852 -0.724 539 H GLU 77 H GLU 77 5.329 -12.545 -3.930 540 HA GLU 77 HA GLU 77 7.511 -14.165 -5.084 541 1HB GLU 77 HB2 GLU 77 5.460 -13.838 -6.391 542 2HB GLU 77 HB3 GLU 77 5.687 -12.078 -6.355 543 1HG GLU 77 HG2 GLU 77 7.818 -12.297 -7.590 544 2HG GLU 77 HG3 GLU 77 7.705 -14.051 -7.505 545 H ARG 78 H ARG 78 9.504 -13.462 -4.446 546 HA ARG 78 HA ARG 78 10.064 -10.640 -4.043 547 1HB ARG 78 HB2 ARG 78 11.267 -12.010 -2.672 548 2HB ARG 78 HB3 ARG 78 11.695 -13.155 -3.925 549 1HG ARG 78 HG2 ARG 78 13.544 -11.653 -3.018 550 2HG ARG 78 HG3 ARG 78 13.435 -11.807 -4.766 551 1HD ARG 78 HD2 ARG 78 13.914 -9.492 -3.884 552 2HD ARG 78 HD3 ARG 78 12.608 -9.604 -5.039 553 HE ARG 78 HE ARG 78 12.155 -9.589 -2.074 554 1HH1 ARG 78 1HH1 ARG 78 10.587 -8.223 -1.258 555 2HH1 ARG 78 2HH1 ARG 78 9.721 -7.115 -2.284 556 1HH2 ARG 78 1HH2 ARG 78 11.402 -8.060 -5.261 557 2HH2 ARG 78 2HH2 ARG 78 10.185 -7.049 -4.550 558 H SER 79 H SER 79 9.225 -9.891 -5.888 559 HA SER 79 HA SER 79 10.060 -10.513 -8.557 560 1HB SER 79 HB2 SER 79 8.702 -8.015 -7.439 561 2HB SER 79 HB3 SER 79 8.667 -8.571 -9.116 562 HG SER 79 HG SER 79 7.634 -10.050 -6.881 Start of MODEL 13 1 H GLY 1 H GLY 1 23.525 -23.016 -16.980 2 1HA GLY 1 HA2 GLY 1 21.266 -23.767 -17.399 3 2HA GLY 1 HA3 GLY 1 21.889 -24.889 -18.621 4 H VAL 2 H VAL 2 23.360 -24.372 -15.425 5 HA VAL 2 HA VAL 2 23.214 -27.214 -14.807 6 HB VAL 2 HB VAL 2 24.057 -24.863 -13.048 7 1HG1 VAL 2 1HG1 VAL 2 25.395 -26.586 -11.855 8 2HG1 VAL 2 2HG1 VAL 2 23.670 -26.943 -11.754 9 3HG1 VAL 2 3HG1 VAL 2 24.695 -27.848 -12.888 10 1HG2 VAL 2 1HG2 VAL 2 26.381 -25.478 -13.724 11 2HG2 VAL 2 2HG2 VAL 2 25.719 -26.618 -14.914 12 3HG2 VAL 2 3HG2 VAL 2 25.440 -24.872 -15.086 13 H THR 3 H THR 3 21.843 -28.167 -13.214 14 HA THR 3 HA THR 3 19.241 -27.213 -13.034 15 HB THR 3 HB THR 3 19.886 -29.552 -12.689 16 HG1 THR 3 HG1 THR 3 18.294 -28.193 -10.818 17 1HG2 THR 3 1HG2 THR 3 20.664 -30.352 -10.521 18 2HG2 THR 3 2HG2 THR 3 21.863 -29.236 -11.193 19 3HG2 THR 3 3HG2 THR 3 20.776 -28.703 -9.891 20 H LYS 4 H LYS 4 21.920 -26.151 -11.093 21 HA LYS 4 HA LYS 4 20.507 -25.255 -8.785 22 1HB LYS 4 HB2 LYS 4 22.976 -25.566 -8.993 23 2HB LYS 4 HB3 LYS 4 23.048 -24.158 -10.070 24 1HG LYS 4 HG2 LYS 4 22.211 -22.712 -8.238 25 2HG LYS 4 HG3 LYS 4 22.035 -24.134 -7.192 26 1HD LYS 4 HD2 LYS 4 24.484 -24.527 -7.294 27 2HD LYS 4 HD3 LYS 4 24.663 -23.183 -8.432 28 1HE LYS 4 HE2 LYS 4 25.311 -22.462 -6.193 29 2HE LYS 4 HE3 LYS 4 23.863 -21.586 -6.713 30 1HZ LYS 4 HZ1 LYS 4 23.898 -23.925 -4.930 31 2HZ LYS 4 HZ2 LYS 4 23.710 -22.357 -4.458 32 3HZ LYS 4 HZ3 LYS 4 22.558 -23.080 -5.386 33 H GLU 5 H GLU 5 20.796 -24.001 -12.070 34 HA GLU 5 HA GLU 5 19.960 -21.279 -11.466 35 1HB GLU 5 HB2 GLU 5 20.032 -22.822 -14.090 36 2HB GLU 5 HB3 GLU 5 19.866 -21.071 -13.881 37 1HG GLU 5 HG2 GLU 5 22.122 -20.879 -13.013 38 2HG GLU 5 HG3 GLU 5 22.316 -22.635 -12.937 39 H ILE 6 H ILE 6 18.173 -22.329 -10.084 40 HA ILE 6 HA ILE 6 15.901 -23.528 -11.347 41 HB ILE 6 HB ILE 6 14.791 -23.120 -9.154 42 1HG1 ILE 6 2HG1 ILE 6 17.493 -22.170 -8.111 43 2HG1 ILE 6 3HG1 ILE 6 16.262 -21.014 -8.614 44 1HG2 ILE 6 1HG2 ILE 6 16.076 -25.168 -9.700 45 2HG2 ILE 6 2HG2 ILE 6 17.538 -24.429 -9.020 46 3HG2 ILE 6 3HG2 ILE 6 16.147 -24.780 -7.979 47 1HD1 ILE 6 1HD1 ILE 6 14.654 -22.005 -7.007 48 2HD1 ILE 6 2HD1 ILE 6 15.924 -23.113 -6.438 49 3HD1 ILE 6 3HD1 ILE 6 16.112 -21.364 -6.227 50 H ARG 7 H ARG 7 15.874 -21.837 -13.133 51 HA ARG 7 HA ARG 7 14.467 -19.331 -12.567 52 1HB ARG 7 HB2 ARG 7 14.927 -20.795 -15.200 53 2HB ARG 7 HB3 ARG 7 14.304 -19.148 -15.004 54 1HG ARG 7 HG2 ARG 7 16.462 -18.537 -13.833 55 2HG ARG 7 HG3 ARG 7 17.082 -20.145 -14.249 56 1HD ARG 7 HD2 ARG 7 16.591 -19.601 -16.698 57 2HD ARG 7 HD3 ARG 7 16.143 -17.978 -16.181 58 HE ARG 7 HE ARG 7 18.341 -17.410 -15.877 59 1HH1 ARG 7 1HH1 ARG 7 19.883 -21.131 -16.340 60 2HH1 ARG 7 2HH1 ARG 7 18.142 -20.939 -16.262 61 1HH2 ARG 7 1HH2 ARG 7 20.623 -17.727 -15.981 62 2HH2 ARG 7 2HH2 ARG 7 21.255 -19.356 -16.134 63 H ILE 8 H ILE 8 12.916 -20.807 -11.206 64 HA ILE 8 HA ILE 8 10.519 -21.521 -12.844 65 HB ILE 8 HB ILE 8 11.607 -22.946 -10.401 66 1HG1 ILE 8 2HG1 ILE 8 11.412 -23.827 -13.318 67 2HG1 ILE 8 3HG1 ILE 8 12.902 -23.457 -12.439 68 1HG2 ILE 8 1HG2 ILE 8 9.104 -22.842 -10.483 69 2HG2 ILE 8 2HG2 ILE 8 9.152 -23.547 -12.112 70 3HG2 ILE 8 3HG2 ILE 8 9.709 -24.473 -10.701 71 1HD1 ILE 8 1HD1 ILE 8 11.050 -25.796 -11.906 72 2HD1 ILE 8 2HD1 ILE 8 12.715 -25.815 -12.500 73 3HD1 ILE 8 3HD1 ILE 8 12.387 -25.308 -10.832 74 HA PRO 9 HA PRO 9 9.104 -18.233 -10.001 75 1HB PRO 9 HB2 PRO 9 6.385 -19.089 -11.032 76 2HB PRO 9 HB3 PRO 9 7.064 -17.447 -10.879 77 1HG PRO 9 HG2 PRO 9 6.939 -18.682 -13.284 78 2HG PRO 9 HG3 PRO 9 8.421 -17.790 -12.821 79 1HD PRO 9 HD2 PRO 9 7.923 -20.784 -12.615 80 2HD PRO 9 HD3 PRO 9 9.291 -19.884 -13.346 81 H THR 10 H THR 10 9.822 -19.851 -8.345 82 HA THR 10 HA THR 10 8.036 -21.783 -7.237 83 HB THR 10 HB THR 10 10.560 -20.527 -6.069 84 HG1 THR 10 HG1 THR 10 10.811 -21.463 -8.194 85 1HG2 THR 10 1HG2 THR 10 9.362 -21.886 -4.384 86 2HG2 THR 10 2HG2 THR 10 9.226 -23.226 -5.548 87 3HG2 THR 10 3HG2 THR 10 10.815 -22.723 -4.942 88 H LEU 11 H LEU 11 6.892 -21.764 -5.270 89 HA LEU 11 HA LEU 11 6.080 -19.089 -4.272 90 1HB LEU 11 HB2 LEU 11 4.909 -21.841 -3.762 91 2HB LEU 11 HB3 LEU 11 4.252 -20.281 -3.227 92 HG LEU 11 HG LEU 11 4.460 -21.333 -6.080 93 1HD1 LEU 11 1HD1 LEU 11 2.001 -21.232 -5.966 94 2HD1 LEU 11 2HD1 LEU 11 2.643 -22.250 -4.662 95 3HD1 LEU 11 3HD1 LEU 11 2.092 -20.598 -4.308 96 1HD2 LEU 11 1HD2 LEU 11 3.588 -18.584 -5.088 97 2HD2 LEU 11 2HD2 LEU 11 4.870 -18.972 -6.266 98 3HD2 LEU 11 3HD2 LEU 11 3.181 -19.239 -6.688 99 H GLU 12 H GLU 12 6.836 -18.391 -2.334 100 HA GLU 12 HA GLU 12 8.231 -20.309 -0.504 101 1HB GLU 12 HB2 GLU 12 8.842 -17.382 -1.075 102 2HB GLU 12 HB3 GLU 12 9.705 -18.405 0.076 103 1HG GLU 12 HG2 GLU 12 9.580 -18.863 -2.944 104 2HG GLU 12 HG3 GLU 12 10.914 -18.092 -2.078 105 H GLU 13 H GLU 13 7.904 -20.057 1.675 106 HA GLU 13 HA GLU 13 5.408 -19.262 2.622 107 1HB GLU 13 HB2 GLU 13 8.107 -19.539 4.040 108 2HB GLU 13 HB3 GLU 13 6.608 -19.177 4.883 109 1HG GLU 13 HG2 GLU 13 6.903 -21.467 5.128 110 2HG GLU 13 HG3 GLU 13 5.572 -21.240 3.990 111 H CYS 14 H CYS 14 4.512 -17.400 3.374 112 HA CYS 14 HA CYS 14 6.026 -14.875 3.207 113 1HB CYS 14 HB2 CYS 14 3.696 -14.911 2.588 114 2HB CYS 14 HB3 CYS 14 3.262 -15.650 4.100 115 H ASP 15 H ASP 15 7.590 -14.825 4.725 116 HA ASP 15 HA ASP 15 7.862 -16.166 7.103 117 1HB ASP 15 HB2 ASP 15 9.530 -14.539 7.717 118 2HB ASP 15 HB3 ASP 15 9.640 -14.834 5.979 119 H VAL 16 H VAL 16 6.257 -13.052 6.585 120 HA VAL 16 HA VAL 16 5.736 -12.294 9.211 121 HB VAL 16 HB VAL 16 4.080 -11.845 6.700 122 1HG1 VAL 16 1HG1 VAL 16 2.735 -11.337 8.703 123 2HG1 VAL 16 2HG1 VAL 16 4.055 -10.295 9.303 124 3HG1 VAL 16 3HG1 VAL 16 3.180 -9.876 7.816 125 1HG2 VAL 16 1HG2 VAL 16 6.315 -10.266 8.064 126 2HG2 VAL 16 2HG2 VAL 16 6.359 -10.977 6.438 127 3HG2 VAL 16 3HG2 VAL 16 5.293 -9.610 6.780 128 H CYS 17 H CYS 17 3.926 -14.733 7.259 129 HA CYS 17 HA CYS 17 2.234 -15.252 9.689 130 1HB CYS 17 HB2 CYS 17 0.722 -16.410 8.198 131 2HB CYS 17 HB3 CYS 17 0.852 -14.681 7.876 132 H HIS 18 H HIS 18 5.064 -16.283 8.311 133 HA HIS 18 HA HIS 18 6.324 -18.056 8.696 134 1HB HIS 18 HB2 HIS 18 4.325 -19.252 10.580 135 2HB HIS 18 HB3 HIS 18 6.084 -19.163 10.715 136 HD1 HIS 18 HD1 HIS 18 6.267 -15.900 10.570 137 HD2 HIS 18 HD2 HIS 18 3.381 -18.115 12.673 138 HE1 HIS 18 HE1 HIS 18 5.289 -14.341 12.325 139 H GLY 19 H GLY 19 4.406 -17.984 6.565 140 1HA GLY 19 HA2 GLY 19 3.978 -19.472 4.830 141 2HA GLY 19 HA3 GLY 19 4.416 -20.822 5.872 142 H SER 20 H SER 20 2.209 -19.433 7.872 143 HA SER 20 HA SER 20 0.273 -21.446 7.087 144 1HB SER 20 HB2 SER 20 -1.100 -20.609 8.915 145 2HB SER 20 HB3 SER 20 0.544 -20.938 9.445 146 HG SER 20 HG SER 20 0.932 -18.707 9.494 147 H GLY 21 H GLY 21 -0.277 -18.055 7.637 148 1HA GLY 21 HA2 GLY 21 -1.190 -16.778 5.473 149 2HA GLY 21 HA3 GLY 21 -2.527 -17.917 5.715 150 H ALA 22 H ALA 22 -1.922 -17.866 8.741 151 HA ALA 22 HA ALA 22 -3.742 -15.697 9.424 152 1HB ALA 22 HB1 ALA 22 -3.346 -16.587 11.729 153 2HB ALA 22 HB2 ALA 22 -3.838 -17.844 10.579 154 3HB ALA 22 HB3 ALA 22 -2.134 -17.698 11.045 155 H LYS 23 H LYS 23 -3.287 -13.887 10.734 156 HA LYS 23 HA LYS 23 -0.922 -12.556 9.994 157 1HB LYS 23 HB2 LYS 23 -1.730 -10.730 11.323 158 2HB LYS 23 HB3 LYS 23 -3.123 -11.565 10.653 159 1HG LYS 23 HG2 LYS 23 -3.327 -12.838 12.799 160 2HG LYS 23 HG3 LYS 23 -2.003 -11.836 13.448 161 1HD LYS 23 HD2 LYS 23 -3.438 -9.806 12.990 162 2HD LYS 23 HD3 LYS 23 -4.741 -10.915 12.505 163 1HE LYS 23 HE2 LYS 23 -4.966 -10.026 14.834 164 2HE LYS 23 HE3 LYS 23 -4.983 -11.787 14.716 165 1HZ LYS 23 HZ1 LYS 23 -3.615 -10.961 16.509 166 2HZ LYS 23 HZ2 LYS 23 -2.748 -11.852 15.433 167 3HZ LYS 23 HZ3 LYS 23 -2.618 -10.203 15.436 168 HA PRO 24 HA PRO 24 2.521 -13.494 12.417 169 1HB PRO 24 HB2 PRO 24 2.132 -10.955 14.034 170 2HB PRO 24 HB3 PRO 24 3.672 -11.682 13.474 171 1HG PRO 24 HG2 PRO 24 2.559 -9.722 11.990 172 2HG PRO 24 HG3 PRO 24 3.125 -11.216 11.187 173 1HD PRO 24 HD2 PRO 24 0.324 -10.451 11.961 174 2HD PRO 24 HD3 PRO 24 0.885 -11.201 10.433 175 H GLY 25 H GLY 25 2.796 -15.034 13.907 176 1HA GLY 25 HA2 GLY 25 2.453 -16.407 15.661 177 2HA GLY 25 HA3 GLY 25 2.343 -14.930 16.627 178 H THR 26 H THR 26 -0.145 -15.435 14.178 179 HA THR 26 HA THR 26 -2.125 -16.069 16.328 180 HB THR 26 HB THR 26 -2.508 -14.827 13.588 181 HG1 THR 26 HG1 THR 26 -1.177 -13.572 15.098 182 1HG2 THR 26 1HG2 THR 26 -4.332 -14.821 16.016 183 2HG2 THR 26 2HG2 THR 26 -4.615 -13.998 14.465 184 3HG2 THR 26 3HG2 THR 26 -4.578 -15.772 14.528 185 H GLN 27 H GLN 27 -3.275 -18.020 16.087 186 HA GLN 27 HA GLN 27 -2.236 -19.854 14.083 187 1HB GLN 27 HB2 GLN 27 -3.719 -21.496 15.110 188 2HB GLN 27 HB3 GLN 27 -2.663 -20.719 16.286 189 1HG GLN 27 HG2 GLN 27 -4.409 -19.595 17.343 190 2HG GLN 27 HG3 GLN 27 -5.461 -19.597 15.930 191 1HE2 GLN 27 1HE2 GLN 27 -6.651 -22.950 16.391 192 2HE2 GLN 27 2HE2 GLN 27 -6.204 -21.829 15.110 193 HA PRO 28 HA PRO 28 -5.675 -19.295 11.185 194 1HB PRO 28 HB2 PRO 28 -5.526 -21.490 9.720 195 2HB PRO 28 HB3 PRO 28 -4.211 -20.281 9.646 196 1HG PRO 28 HG2 PRO 28 -4.270 -22.850 11.265 197 2HG PRO 28 HG3 PRO 28 -2.955 -22.256 10.205 198 1HD PRO 28 HD2 PRO 28 -2.980 -21.870 12.903 199 2HD PRO 28 HD3 PRO 28 -2.287 -20.654 11.781 200 H GLN 29 H GLN 29 -7.539 -21.081 10.444 201 HA GLN 29 HA GLN 29 -8.442 -22.519 12.919 202 1HB GLN 29 HB2 GLN 29 -10.155 -20.885 11.003 203 2HB GLN 29 HB3 GLN 29 -10.662 -21.752 12.456 204 1HG GLN 29 HG2 GLN 29 -10.491 -19.592 13.272 205 2HG GLN 29 HG3 GLN 29 -8.908 -20.229 13.714 206 1HE2 GLN 29 1HE2 GLN 29 -7.398 -17.465 11.976 207 2HE2 GLN 29 2HE2 GLN 29 -7.246 -18.608 13.282 208 H THR 30 H THR 30 -8.681 -24.691 12.497 209 HA THR 30 HA THR 30 -8.052 -25.970 10.231 210 HB THR 30 HB THR 30 -10.333 -26.858 12.063 211 HG1 THR 30 HG1 THR 30 -8.627 -27.419 13.521 212 1HG2 THR 30 1HG2 THR 30 -9.226 -29.066 11.885 213 2HG2 THR 30 2HG2 THR 30 -9.659 -28.449 10.285 214 3HG2 THR 30 3HG2 THR 30 -7.971 -28.359 10.846 215 H CYS 31 H CYS 31 -8.960 -26.201 8.163 216 HA CYS 31 HA CYS 31 -11.490 -24.982 7.573 217 1HB CYS 31 HB2 CYS 31 -9.664 -25.182 5.903 218 2HB CYS 31 HB3 CYS 31 -9.849 -26.933 5.949 219 HA PRO 32 HA PRO 32 -13.648 -28.652 9.062 220 1HB PRO 32 HB2 PRO 32 -16.234 -27.863 8.810 221 2HB PRO 32 HB3 PRO 32 -15.115 -27.187 10.037 222 1HG PRO 32 HG2 PRO 32 -15.812 -25.981 7.340 223 2HG PRO 32 HG3 PRO 32 -15.849 -25.184 8.938 224 1HD PRO 32 HD2 PRO 32 -13.708 -24.979 7.271 225 2HD PRO 32 HD3 PRO 32 -13.496 -25.073 9.045 226 H THR 33 H THR 33 -14.435 -27.082 5.899 227 HA THR 33 HA THR 33 -15.899 -28.953 4.639 228 HB THR 33 HB THR 33 -13.599 -27.613 3.202 229 HG1 THR 33 HG1 THR 33 -14.835 -25.645 3.443 230 1HG2 THR 33 1HG2 THR 33 -15.340 -27.045 1.583 231 2HG2 THR 33 2HG2 THR 33 -15.415 -28.783 1.930 232 3HG2 THR 33 3HG2 THR 33 -16.601 -27.682 2.661 233 H CYS 34 H CYS 34 -12.335 -28.989 4.960 234 HA CYS 34 HA CYS 34 -12.245 -31.775 3.841 235 1HB CYS 34 HB2 CYS 34 -9.795 -31.302 3.657 236 2HB CYS 34 HB3 CYS 34 -10.833 -30.468 2.531 237 H HIS 35 H HIS 35 -12.858 -30.650 6.721 238 HA HIS 35 HA HIS 35 -12.343 -31.166 8.867 239 1HB HIS 35 HB2 HIS 35 -11.450 -33.851 7.776 240 2HB HIS 35 HB3 HIS 35 -12.201 -33.491 9.333 241 HD1 HIS 35 HD1 HIS 35 -14.628 -31.711 7.745 242 HD2 HIS 35 HD2 HIS 35 -13.257 -35.618 6.989 243 HE1 HIS 35 HE1 HIS 35 -16.498 -32.912 6.522 244 H GLY 36 H GLY 36 -10.281 -29.726 7.653 245 1HA GLY 36 HA2 GLY 36 -8.139 -29.060 8.117 246 2HA GLY 36 HA3 GLY 36 -8.059 -30.291 9.381 247 H SER 37 H SER 37 -8.729 -32.132 6.662 248 HA SER 37 HA SER 37 -6.034 -33.120 6.590 249 1HB SER 37 HB2 SER 37 -6.815 -34.645 4.917 250 2HB SER 37 HB3 SER 37 -8.087 -34.503 6.143 251 HG SER 37 HG SER 37 -9.276 -33.274 4.739 252 H GLY 38 H GLY 38 -7.730 -30.734 4.709 253 1HA GLY 38 HA2 GLY 38 -6.722 -29.164 3.209 254 2HA GLY 38 HA3 GLY 38 -5.338 -30.239 2.993 255 H GLN 39 H GLN 39 -8.046 -32.264 2.871 256 HA GLN 39 HA GLN 39 -8.629 -31.706 0.048 257 1HB GLN 39 HB2 GLN 39 -8.313 -34.186 -0.436 258 2HB GLN 39 HB3 GLN 39 -6.908 -33.139 -0.298 259 1HG GLN 39 HG2 GLN 39 -6.104 -34.881 0.833 260 2HG GLN 39 HG3 GLN 39 -6.783 -34.049 2.216 261 1HE2 GLN 39 1HE2 GLN 39 -9.446 -36.530 2.556 262 2HE2 GLN 39 2HE2 GLN 39 -9.125 -34.803 2.821 263 H VAL 40 H VAL 40 -10.602 -32.053 -0.555 264 HA VAL 40 HA VAL 40 -12.653 -32.670 1.504 265 HB VAL 40 HB VAL 40 -14.198 -31.989 -0.391 266 1HG1 VAL 40 1HG1 VAL 40 -13.792 -29.610 -0.246 267 2HG1 VAL 40 2HG1 VAL 40 -13.592 -30.386 1.345 268 3HG1 VAL 40 3HG1 VAL 40 -12.161 -29.893 0.406 269 1HG2 VAL 40 1HG2 VAL 40 -13.377 -30.855 -2.339 270 2HG2 VAL 40 2HG2 VAL 40 -11.697 -30.934 -1.796 271 3HG2 VAL 40 3HG2 VAL 40 -12.554 -32.418 -2.269 272 H GLN 41 H GLN 41 -14.354 -34.251 0.963 273 HA GLN 41 HA GLN 41 -13.464 -36.334 -0.981 274 1HB GLN 41 HB2 GLN 41 -13.576 -37.151 1.354 275 2HB GLN 41 HB3 GLN 41 -15.285 -36.717 1.369 276 1HG GLN 41 HG2 GLN 41 -15.597 -38.255 -0.669 277 2HG GLN 41 HG3 GLN 41 -13.898 -38.700 -0.517 278 1HE2 GLN 41 1HE2 GLN 41 -15.208 -41.465 1.302 279 2HE2 GLN 41 2HE2 GLN 41 -14.547 -40.941 -0.242 280 H MET 42 H MET 42 -14.544 -36.216 -2.812 281 HA MET 42 HA MET 42 -17.087 -34.756 -3.076 282 1HB MET 42 HB2 MET 42 -15.413 -34.701 -4.874 283 2HB MET 42 HB3 MET 42 -15.402 -36.466 -4.982 284 1HG MET 42 HG2 MET 42 -16.694 -35.458 -6.788 285 2HG MET 42 HG3 MET 42 -17.729 -36.452 -5.760 286 1HE MET 42 HE1 MET 42 -20.149 -33.691 -7.075 287 2HE MET 42 HE2 MET 42 -18.797 -34.447 -7.952 288 3HE MET 42 HE3 MET 42 -19.854 -35.438 -6.918 289 H ARG 43 H ARG 43 -18.407 -35.918 -1.646 290 HA ARG 43 HA ARG 43 -18.414 -38.692 -1.276 291 1HB ARG 43 HB2 ARG 43 -20.858 -36.974 -0.754 292 2HB ARG 43 HB3 ARG 43 -20.292 -38.355 0.178 293 1HG ARG 43 HG2 ARG 43 -19.062 -35.555 0.123 294 2HG ARG 43 HG3 ARG 43 -20.157 -36.198 1.328 295 1HD ARG 43 HD2 ARG 43 -18.527 -37.842 2.073 296 2HD ARG 43 HD3 ARG 43 -17.399 -37.319 0.805 297 HE ARG 43 HE ARG 43 -17.996 -34.981 2.082 298 1HH1 ARG 43 1HH1 ARG 43 -16.108 -35.007 5.019 299 2HH1 ARG 43 2HH1 ARG 43 -17.059 -34.059 3.905 300 1HH2 ARG 43 1HH2 ARG 43 -16.481 -38.013 3.169 301 2HH2 ARG 43 2HH2 ARG 43 -15.898 -37.306 4.652 302 H GLN 44 H GLN 44 -18.729 -38.508 -4.097 303 HA GLN 44 HA GLN 44 -21.505 -39.076 -4.808 304 1HB GLN 44 HB2 GLN 44 -20.644 -39.290 -7.070 305 2HB GLN 44 HB3 GLN 44 -20.043 -37.829 -6.276 306 1HG GLN 44 HG2 GLN 44 -17.921 -39.223 -5.710 307 2HG GLN 44 HG3 GLN 44 -18.535 -40.391 -6.890 308 1HE2 GLN 44 1HE2 GLN 44 -16.104 -38.435 -8.699 309 2HE2 GLN 44 2HE2 GLN 44 -16.190 -39.646 -7.407 310 H GLY 45 H GLY 45 -21.170 -40.714 -2.896 311 1HA GLY 45 HA2 GLY 45 -20.782 -42.854 -2.080 312 2HA GLY 45 HA3 GLY 45 -22.046 -43.131 -3.280 313 H PHE 46 H PHE 46 -21.531 -44.115 -5.221 314 HA PHE 46 HA PHE 46 -19.970 -46.284 -5.411 315 1HB PHE 46 HB2 PHE 46 -20.353 -44.385 -7.751 316 2HB PHE 46 HB3 PHE 46 -20.178 -46.128 -7.810 317 HD1 PHE 46 HD1 PHE 46 -22.044 -47.563 -6.679 318 HD2 PHE 46 HD2 PHE 46 -22.501 -43.366 -7.574 319 HE1 PHE 46 HE1 PHE 46 -24.507 -47.781 -6.471 320 HE2 PHE 46 HE2 PHE 46 -24.959 -43.591 -7.359 321 HZ PHE 46 HZ PHE 46 -25.966 -45.796 -6.808 322 H PHE 47 H PHE 47 -18.885 -42.979 -6.275 323 HA PHE 47 HA PHE 47 -16.043 -43.965 -6.218 324 1HB PHE 47 HB2 PHE 47 -17.074 -41.886 -8.165 325 2HB PHE 47 HB3 PHE 47 -15.513 -42.691 -8.155 326 HD1 PHE 47 HD1 PHE 47 -18.686 -42.589 -9.711 327 HD2 PHE 47 HD2 PHE 47 -15.756 -45.423 -8.292 328 HE1 PHE 47 HE1 PHE 47 -19.708 -44.355 -11.111 329 HE2 PHE 47 HE2 PHE 47 -16.780 -47.181 -9.701 330 HZ PHE 47 HZ PHE 47 -18.764 -46.656 -11.108 331 H ALA 48 H ALA 48 -17.057 -43.104 -3.953 332 HA ALA 48 HA ALA 48 -17.026 -40.291 -3.557 333 1HB ALA 48 HB1 ALA 48 -17.035 -40.849 -1.164 334 2HB ALA 48 HB2 ALA 48 -18.224 -41.787 -2.077 335 3HB ALA 48 HB3 ALA 48 -16.704 -42.551 -1.562 336 H VAL 49 H VAL 49 -15.005 -39.978 -4.840 337 HA VAL 49 HA VAL 49 -12.448 -40.644 -3.537 338 HB VAL 49 HB VAL 49 -11.399 -39.635 -5.520 339 1HG1 VAL 49 1HG1 VAL 49 -12.098 -41.364 -7.076 340 2HG1 VAL 49 2HG1 VAL 49 -12.001 -41.993 -5.417 341 3HG1 VAL 49 3HG1 VAL 49 -13.585 -41.646 -6.142 342 1HG2 VAL 49 1HG2 VAL 49 -12.719 -38.941 -7.449 343 2HG2 VAL 49 2HG2 VAL 49 -14.226 -39.141 -6.546 344 3HG2 VAL 49 3HG2 VAL 49 -13.065 -37.889 -6.068 345 H GLN 50 H GLN 50 -10.703 -38.932 -3.552 346 HA GLN 50 HA GLN 50 -11.735 -36.545 -2.156 347 1HB GLN 50 HB2 GLN 50 -9.221 -38.182 -1.744 348 2HB GLN 50 HB3 GLN 50 -9.515 -36.608 -0.964 349 1HG GLN 50 HG2 GLN 50 -11.592 -37.452 0.043 350 2HG GLN 50 HG3 GLN 50 -11.352 -39.043 -0.695 351 1HE2 GLN 50 1HE2 GLN 50 -8.569 -39.839 1.531 352 2HE2 GLN 50 2HE2 GLN 50 -8.965 -39.949 -0.174 353 H GLN 51 H GLN 51 -10.736 -34.549 -2.405 354 HA GLN 51 HA GLN 51 -8.981 -34.150 -4.777 355 1HB GLN 51 HB2 GLN 51 -11.346 -32.361 -4.217 356 2HB GLN 51 HB3 GLN 51 -10.424 -32.501 -5.700 357 1HG GLN 51 HG2 GLN 51 -11.563 -34.550 -6.304 358 2HG GLN 51 HG3 GLN 51 -12.334 -34.685 -4.713 359 1HE2 GLN 51 1HE2 GLN 51 -14.630 -31.939 -5.190 360 2HE2 GLN 51 2HE2 GLN 51 -13.554 -32.614 -3.990 361 H THR 52 H THR 52 -7.747 -32.105 -4.540 362 HA THR 52 HA THR 52 -7.126 -31.284 -1.919 363 HB THR 52 HB THR 52 -6.918 -29.653 -4.491 364 HG1 THR 52 HG1 THR 52 -5.226 -31.721 -3.523 365 1HG2 THR 52 1HG2 THR 52 -6.245 -28.446 -2.462 366 2HG2 THR 52 2HG2 THR 52 -5.193 -29.795 -1.977 367 3HG2 THR 52 3HG2 THR 52 -4.814 -28.844 -3.433 368 H CYS 53 H CYS 53 -7.984 -29.596 -0.578 369 HA CYS 53 HA CYS 53 -10.636 -28.664 -1.239 370 1HB CYS 53 HB2 CYS 53 -9.873 -29.119 1.057 371 2HB CYS 53 HB3 CYS 53 -8.792 -27.728 0.969 372 HA PRO 54 HA PRO 54 -8.780 -25.228 -3.565 373 1HB PRO 54 HB2 PRO 54 -11.033 -24.005 -4.507 374 2HB PRO 54 HB3 PRO 54 -10.422 -25.563 -5.139 375 1HG PRO 54 HG2 PRO 54 -12.621 -25.153 -3.091 376 2HG PRO 54 HG3 PRO 54 -12.646 -26.190 -4.542 377 1HD PRO 54 HD2 PRO 54 -12.060 -27.175 -2.075 378 2HD PRO 54 HD3 PRO 54 -11.252 -27.797 -3.542 379 H HIS 55 H HIS 55 -11.504 -24.714 -1.306 380 HA HIS 55 HA HIS 55 -11.416 -22.022 -0.911 381 1HB HIS 55 HB2 HIS 55 -13.032 -23.691 0.043 382 2HB HIS 55 HB3 HIS 55 -11.859 -24.036 1.322 383 HD1 HIS 55 HD1 HIS 55 -11.268 -20.604 1.306 384 HD2 HIS 55 HD2 HIS 55 -14.707 -22.909 2.091 385 HE1 HIS 55 HE1 HIS 55 -12.833 -19.143 2.708 386 H CYS 56 H CYS 56 -9.251 -24.373 0.674 387 HA CYS 56 HA CYS 56 -7.640 -22.093 1.790 388 1HB CYS 56 HB2 CYS 56 -6.818 -23.748 3.443 389 2HB CYS 56 HB3 CYS 56 -8.491 -23.248 3.627 390 H GLN 57 H GLN 57 -7.584 -23.466 -0.946 391 HA GLN 57 HA GLN 57 -6.063 -24.317 -2.402 392 1HB GLN 57 HB2 GLN 57 -4.205 -22.493 -0.805 393 2HB GLN 57 HB3 GLN 57 -3.969 -23.065 -2.459 394 1HG GLN 57 HG2 GLN 57 -4.755 -20.863 -2.669 395 2HG GLN 57 HG3 GLN 57 -6.123 -21.888 -3.108 396 1HE2 GLN 57 1HE2 GLN 57 -8.202 -20.538 -0.539 397 2HE2 GLN 57 2HE2 GLN 57 -8.071 -21.550 -1.961 398 H GLY 58 H GLY 58 -6.494 -26.240 -0.566 399 1HA GLY 58 HA2 GLY 58 -5.617 -28.251 0.043 400 2HA GLY 58 HA3 GLY 58 -4.098 -27.817 -0.739 401 H ARG 59 H ARG 59 -4.445 -25.354 1.495 402 HA ARG 59 HA ARG 59 -2.419 -26.466 3.192 403 1HB ARG 59 HB2 ARG 59 -4.192 -24.018 3.563 404 2HB ARG 59 HB3 ARG 59 -2.750 -24.411 4.509 405 1HG ARG 59 HG2 ARG 59 -1.318 -24.250 2.566 406 2HG ARG 59 HG3 ARG 59 -2.692 -23.958 1.487 407 1HD ARG 59 HD2 ARG 59 -2.026 -22.179 3.867 408 2HD ARG 59 HD3 ARG 59 -1.413 -21.883 2.230 409 HE ARG 59 HE ARG 59 -4.118 -22.130 1.829 410 1HH1 ARG 59 1HH1 ARG 59 -4.850 -18.694 2.345 411 2HH1 ARG 59 2HH1 ARG 59 -5.205 -20.068 1.311 412 1HH2 ARG 59 1HH2 ARG 59 -2.237 -20.102 4.125 413 2HH2 ARG 59 2HH2 ARG 59 -3.184 -18.678 3.730 414 H GLY 60 H GLY 60 -5.896 -26.521 3.374 415 1HA GLY 60 HA2 GLY 60 -7.285 -27.718 4.828 416 2HA GLY 60 HA3 GLY 60 -5.873 -28.242 5.748 417 H THR 61 H THR 61 -5.659 -24.896 5.436 418 HA THR 61 HA THR 61 -6.929 -24.357 8.088 419 HB THR 61 HB THR 61 -5.121 -22.574 8.005 420 HG1 THR 61 HG1 THR 61 -4.738 -22.783 5.771 421 1HG2 THR 61 1HG2 THR 61 -4.227 -25.497 8.015 422 2HG2 THR 61 2HG2 THR 61 -3.367 -24.139 8.763 423 3HG2 THR 61 3HG2 THR 61 -4.956 -24.638 9.392 424 H LEU 62 H LEU 62 -8.512 -22.941 8.085 425 HA LEU 62 HA LEU 62 -8.908 -21.027 5.832 426 1HB LEU 62 HB2 LEU 62 -10.595 -21.750 8.287 427 2HB LEU 62 HB3 LEU 62 -10.904 -20.343 7.275 428 HG LEU 62 HG LEU 62 -11.053 -23.227 6.365 429 1HD1 LEU 62 1HD1 LEU 62 -13.139 -21.022 6.746 430 2HD1 LEU 62 2HD1 LEU 62 -13.474 -22.660 6.138 431 3HD1 LEU 62 3HD1 LEU 62 -12.920 -22.426 7.810 432 1HD2 LEU 62 1HD2 LEU 62 -10.279 -21.981 4.473 433 2HD2 LEU 62 2HD2 LEU 62 -12.014 -22.207 4.277 434 3HD2 LEU 62 3HD2 LEU 62 -11.390 -20.630 4.830 435 H ILE 63 H ILE 63 -8.906 -18.810 6.302 436 HA ILE 63 HA ILE 63 -7.563 -18.040 8.847 437 HB ILE 63 HB ILE 63 -6.700 -16.986 6.134 438 1HG1 ILE 63 2HG1 ILE 63 -4.519 -18.290 6.925 439 2HG1 ILE 63 3HG1 ILE 63 -5.659 -19.372 7.707 440 1HG2 ILE 63 1HG2 ILE 63 -4.952 -16.052 7.494 441 2HG2 ILE 63 2HG2 ILE 63 -6.483 -15.656 8.260 442 3HG2 ILE 63 3HG2 ILE 63 -5.497 -16.962 8.930 443 1HD1 ILE 63 1HD1 ILE 63 -5.029 -20.167 5.471 444 2HD1 ILE 63 2HD1 ILE 63 -6.739 -19.708 5.414 445 3HD1 ILE 63 3HD1 ILE 63 -5.516 -18.621 4.747 446 H LYS 64 H LYS 64 -9.499 -17.282 9.645 447 HA LYS 64 HA LYS 64 -11.194 -15.463 8.271 448 1HB LYS 64 HB2 LYS 64 -11.799 -16.807 10.276 449 2HB LYS 64 HB3 LYS 64 -10.701 -15.816 11.257 450 1HG LYS 64 HG2 LYS 64 -12.092 -13.814 10.812 451 2HG LYS 64 HG3 LYS 64 -13.085 -14.737 9.686 452 1HD LYS 64 HD2 LYS 64 -14.220 -14.469 11.848 453 2HD LYS 64 HD3 LYS 64 -13.928 -16.169 11.468 454 1HE LYS 64 HE2 LYS 64 -13.495 -15.633 13.852 455 2HE LYS 64 HE3 LYS 64 -12.058 -16.267 13.047 456 1HZ LYS 64 HZ1 LYS 64 -11.575 -14.367 14.409 457 2HZ LYS 64 HZ2 LYS 64 -11.269 -14.021 12.828 458 3HZ LYS 64 HZ3 LYS 64 -12.623 -13.425 13.554 459 H ASP 65 H ASP 65 -8.172 -15.184 10.009 460 HA ASP 65 HA ASP 65 -8.061 -12.207 9.983 461 1HB ASP 65 HB2 ASP 65 -6.283 -12.543 11.623 462 2HB ASP 65 HB3 ASP 65 -7.773 -13.329 12.152 463 HA PRO 66 HA PRO 66 -5.462 -14.060 6.541 464 1HB PRO 66 HB2 PRO 66 -5.944 -12.233 4.530 465 2HB PRO 66 HB3 PRO 66 -6.982 -13.641 4.898 466 1HG PRO 66 HG2 PRO 66 -7.331 -10.796 5.894 467 2HG PRO 66 HG3 PRO 66 -8.554 -11.834 5.095 468 1HD PRO 66 HD2 PRO 66 -8.491 -11.661 7.770 469 2HD PRO 66 HD3 PRO 66 -8.688 -13.263 6.987 470 H CYS 67 H CYS 67 -3.323 -13.703 6.515 471 HA CYS 67 HA CYS 67 -2.054 -11.368 7.551 472 1HB CYS 67 HB2 CYS 67 -0.993 -13.513 7.605 473 2HB CYS 67 HB3 CYS 67 -1.109 -13.697 5.852 474 H ASN 68 H ASN 68 -2.917 -9.637 6.375 475 HA ASN 68 HA ASN 68 -3.549 -9.074 3.888 476 1HB ASN 68 HB2 ASN 68 -2.948 -6.770 4.190 477 2HB ASN 68 HB3 ASN 68 -3.579 -7.434 5.702 478 1HD2 ASN 68 1HD2 ASN 68 -0.486 -5.320 6.321 479 2HD2 ASN 68 2HD2 ASN 68 -1.970 -5.017 5.437 480 H LYS 69 H LYS 69 -0.097 -8.916 4.830 481 HA LYS 69 HA LYS 69 1.097 -8.075 2.523 482 1HB LYS 69 HB2 LYS 69 2.277 -8.551 4.607 483 2HB LYS 69 HB3 LYS 69 2.052 -10.295 4.378 484 1HG LYS 69 HG2 LYS 69 3.439 -10.248 2.350 485 2HG LYS 69 HG3 LYS 69 3.589 -8.484 2.455 486 1HD LYS 69 HD2 LYS 69 4.761 -8.674 4.600 487 2HD LYS 69 HD3 LYS 69 4.550 -10.434 4.599 488 1HE LYS 69 HE2 LYS 69 6.139 -8.856 2.518 489 2HE LYS 69 HE3 LYS 69 6.837 -9.714 3.901 490 1HZ LYS 69 HZ1 LYS 69 5.327 -10.957 1.715 491 2HZ LYS 69 HZ2 LYS 69 6.954 -11.028 1.948 492 3HZ LYS 69 HZ3 LYS 69 5.938 -11.747 3.027 493 H CYS 70 H CYS 70 0.025 -11.448 3.140 494 HA CYS 70 HA CYS 70 0.555 -12.094 0.239 495 1HB CYS 70 HB2 CYS 70 0.666 -14.419 0.934 496 2HB CYS 70 HB3 CYS 70 1.889 -13.484 1.776 497 H HIS 71 H HIS 71 -1.861 -10.855 1.867 498 HA HIS 71 HA HIS 71 -4.131 -10.999 1.889 499 1HB HIS 71 HB2 HIS 71 -3.730 -12.653 -0.626 500 2HB HIS 71 HB3 HIS 71 -5.199 -11.796 -0.159 501 HD1 HIS 71 HD1 HIS 71 -2.630 -9.332 0.586 502 HD2 HIS 71 HD2 HIS 71 -4.343 -10.962 -2.905 503 HE1 HIS 71 HE1 HIS 71 -2.181 -7.678 -1.293 504 H GLY 72 H GLY 72 -2.666 -12.980 3.405 505 1HA GLY 72 HA2 GLY 72 -3.080 -14.868 4.612 506 2HA GLY 72 HA3 GLY 72 -4.768 -14.803 4.089 507 H HIS 73 H HIS 73 -2.412 -15.028 1.492 508 HA HIS 73 HA HIS 73 -3.303 -17.697 0.790 509 1HB HIS 73 HB2 HIS 73 -2.859 -15.868 -0.843 510 2HB HIS 73 HB3 HIS 73 -1.136 -15.965 -0.439 511 HD1 HIS 73 HD1 HIS 73 0.232 -17.648 -1.834 512 HD2 HIS 73 HD2 HIS 73 -3.917 -18.368 -1.821 513 HE1 HIS 73 HE1 HIS 73 -0.184 -19.601 -3.438 514 H GLY 74 H GLY 74 -1.037 -16.638 3.002 515 1HA GLY 74 HA2 GLY 74 0.424 -17.901 4.312 516 2HA GLY 74 HA3 GLY 74 0.084 -19.307 3.311 517 H ARG 75 H ARG 75 0.936 -18.330 0.795 518 HA ARG 75 HA ARG 75 3.823 -17.729 1.178 519 1HB ARG 75 HB2 ARG 75 4.411 -19.533 -0.345 520 2HB ARG 75 HB3 ARG 75 3.582 -20.141 1.095 521 1HG ARG 75 HG2 ARG 75 1.441 -20.215 -0.346 522 2HG ARG 75 HG3 ARG 75 2.487 -19.866 -1.726 523 1HD ARG 75 HD2 ARG 75 2.346 -22.326 0.023 524 2HD ARG 75 HD3 ARG 75 2.325 -22.212 -1.722 525 HE ARG 75 HE ARG 75 4.680 -21.885 -1.796 526 1HH1 ARG 75 1HH1 ARG 75 6.755 -22.335 -1.026 527 2HH1 ARG 75 2HH1 ARG 75 6.971 -22.913 0.612 528 1HH2 ARG 75 1HH2 ARG 75 3.579 -22.642 1.512 529 2HH2 ARG 75 2HH2 ARG 75 5.187 -23.078 2.036 530 H VAL 76 H VAL 76 4.887 -16.932 -0.709 531 HA VAL 76 HA VAL 76 3.078 -15.682 -2.733 532 HB VAL 76 HB VAL 76 4.433 -13.629 -2.557 533 1HG1 VAL 76 1HG1 VAL 76 3.210 -14.423 0.112 534 2HG1 VAL 76 2HG1 VAL 76 3.453 -12.774 -0.494 535 3HG1 VAL 76 3HG1 VAL 76 2.298 -13.849 -1.303 536 1HG2 VAL 76 1HG2 VAL 76 5.903 -13.229 -0.630 537 2HG2 VAL 76 2HG2 VAL 76 5.692 -14.898 -0.075 538 3HG2 VAL 76 3HG2 VAL 76 6.528 -14.563 -1.607 539 H GLU 77 H GLU 77 4.192 -15.045 -4.699 540 HA GLU 77 HA GLU 77 5.974 -17.115 -5.585 541 1HB GLU 77 HB2 GLU 77 4.178 -15.912 -6.911 542 2HB GLU 77 HB3 GLU 77 5.270 -14.525 -7.027 543 1HG GLU 77 HG2 GLU 77 5.968 -17.361 -7.969 544 2HG GLU 77 HG3 GLU 77 5.189 -16.156 -8.997 545 H ARG 78 H ARG 78 8.151 -17.060 -5.944 546 HA ARG 78 HA ARG 78 9.774 -15.203 -4.448 547 1HB ARG 78 HB2 ARG 78 10.076 -17.688 -4.801 548 2HB ARG 78 HB3 ARG 78 10.600 -17.352 -6.450 549 1HG ARG 78 HG2 ARG 78 12.539 -16.074 -5.556 550 2HG ARG 78 HG3 ARG 78 11.921 -16.292 -3.903 551 1HD ARG 78 HD2 ARG 78 12.045 -18.758 -4.218 552 2HD ARG 78 HD3 ARG 78 12.783 -18.517 -5.809 553 HE ARG 78 HE ARG 78 14.499 -17.112 -4.393 554 1HH1 ARG 78 1HH1 ARG 78 16.349 -17.828 -3.330 555 2HH1 ARG 78 2HH1 ARG 78 16.398 -19.386 -2.553 556 1HH2 ARG 78 1HH2 ARG 78 13.069 -20.245 -3.399 557 2HH2 ARG 78 2HH2 ARG 78 14.538 -20.782 -2.648 558 H SER 79 H SER 79 8.516 -13.463 -6.039 559 HA SER 79 HA SER 79 9.499 -13.056 -8.647 560 1HB SER 79 HB2 SER 79 8.588 -10.914 -6.678 561 2HB SER 79 HB3 SER 79 8.479 -10.880 -8.449 562 HG SER 79 HG SER 79 7.166 -12.902 -8.113 Start of MODEL 14 1 H GLY 1 H GLY 1 12.131 -5.776 -7.271 2 1HA GLY 1 HA2 GLY 1 14.214 -4.243 -7.277 3 2HA GLY 1 HA3 GLY 1 13.647 -3.763 -8.891 4 H VAL 2 H VAL 2 11.076 -3.421 -8.790 5 HA VAL 2 HA VAL 2 10.555 -1.066 -7.221 6 HB VAL 2 HB VAL 2 8.639 -2.961 -8.665 7 1HG1 VAL 2 1HG1 VAL 2 7.395 -1.553 -7.080 8 2HG1 VAL 2 2HG1 VAL 2 8.238 -0.104 -7.671 9 3HG1 VAL 2 3HG1 VAL 2 7.117 -0.986 -8.729 10 1HG2 VAL 2 1HG2 VAL 2 9.970 -0.369 -9.581 11 2HG2 VAL 2 2HG2 VAL 2 10.313 -1.994 -10.212 12 3HG2 VAL 2 3HG2 VAL 2 8.728 -1.263 -10.482 13 H THR 3 H THR 3 10.108 -4.517 -6.752 14 HA THR 3 HA THR 3 9.814 -4.299 -3.926 15 HB THR 3 HB THR 3 7.466 -3.920 -4.448 16 HG1 THR 3 HG1 THR 3 6.638 -5.619 -3.328 17 1HG2 THR 3 1HG2 THR 3 6.122 -5.554 -5.749 18 2HG2 THR 3 2HG2 THR 3 7.340 -4.768 -6.759 19 3HG2 THR 3 3HG2 THR 3 7.599 -6.428 -6.192 20 H LYS 4 H LYS 4 9.243 -6.801 -3.356 21 HA LYS 4 HA LYS 4 11.355 -8.415 -4.705 22 1HB LYS 4 HB2 LYS 4 9.616 -8.944 -2.256 23 2HB LYS 4 HB3 LYS 4 10.828 -10.059 -2.892 24 1HG LYS 4 HG2 LYS 4 11.453 -7.241 -1.913 25 2HG LYS 4 HG3 LYS 4 11.613 -8.720 -0.951 26 1HD LYS 4 HD2 LYS 4 13.187 -9.640 -2.712 27 2HD LYS 4 HD3 LYS 4 13.178 -8.059 -3.496 28 1HE LYS 4 HE2 LYS 4 14.069 -8.617 -0.629 29 2HE LYS 4 HE3 LYS 4 15.130 -8.346 -2.021 30 1HZ LYS 4 HZ1 LYS 4 14.192 -6.159 -2.240 31 2HZ LYS 4 HZ2 LYS 4 13.227 -6.398 -0.925 32 3HZ LYS 4 HZ3 LYS 4 14.864 -6.367 -0.751 33 H GLU 5 H GLU 5 7.838 -8.195 -4.323 34 HA GLU 5 HA GLU 5 7.325 -10.741 -5.615 35 1HB GLU 5 HB2 GLU 5 5.407 -8.446 -5.057 36 2HB GLU 5 HB3 GLU 5 4.991 -10.123 -5.442 37 1HG GLU 5 HG2 GLU 5 6.389 -9.143 -2.917 38 2HG GLU 5 HG3 GLU 5 4.763 -9.817 -3.060 39 H ILE 6 H ILE 6 9.011 -9.574 -7.338 40 HA ILE 6 HA ILE 6 7.437 -8.454 -9.611 41 HB ILE 6 HB ILE 6 9.683 -8.506 -10.745 42 1HG1 ILE 6 2HG1 ILE 6 10.881 -8.966 -7.976 43 2HG1 ILE 6 3HG1 ILE 6 10.681 -10.295 -9.124 44 1HG2 ILE 6 1HG2 ILE 6 10.476 -6.531 -9.508 45 2HG2 ILE 6 2HG2 ILE 6 8.711 -6.535 -9.664 46 3HG2 ILE 6 3HG2 ILE 6 9.461 -7.004 -8.123 47 1HD1 ILE 6 1HD1 ILE 6 12.049 -9.031 -10.788 48 2HD1 ILE 6 2HD1 ILE 6 12.353 -7.790 -9.554 49 3HD1 ILE 6 3HD1 ILE 6 12.924 -9.446 -9.302 50 H ARG 7 H ARG 7 6.288 -10.542 -8.958 51 HA ARG 7 HA ARG 7 6.190 -12.877 -8.866 52 1HB ARG 7 HB2 ARG 7 5.094 -11.945 -11.531 53 2HB ARG 7 HB3 ARG 7 4.518 -13.311 -10.569 54 1HG ARG 7 HG2 ARG 7 4.304 -10.357 -9.829 55 2HG ARG 7 HG3 ARG 7 3.021 -11.464 -10.310 56 1HD ARG 7 HD2 ARG 7 3.660 -12.895 -8.273 57 2HD ARG 7 HD3 ARG 7 4.583 -11.509 -7.689 58 HE ARG 7 HE ARG 7 1.720 -11.915 -7.726 59 1HH1 ARG 7 1HH1 ARG 7 0.311 -10.345 -6.942 60 2HH1 ARG 7 2HH1 ARG 7 0.844 -8.709 -6.681 61 1HH2 ARG 7 1HH2 ARG 7 4.179 -9.320 -7.725 62 2HH2 ARG 7 2HH2 ARG 7 3.046 -8.117 -7.183 63 H ILE 8 H ILE 8 8.899 -12.748 -9.647 64 HA ILE 8 HA ILE 8 9.117 -14.804 -11.775 65 HB ILE 8 HB ILE 8 11.057 -13.063 -10.301 66 1HG1 ILE 8 2HG1 ILE 8 10.777 -13.680 -13.270 67 2HG1 ILE 8 3HG1 ILE 8 9.797 -12.451 -12.471 68 1HG2 ILE 8 1HG2 ILE 8 12.124 -15.290 -10.223 69 2HG2 ILE 8 2HG2 ILE 8 11.802 -15.513 -11.957 70 3HG2 ILE 8 3HG2 ILE 8 12.932 -14.269 -11.400 71 1HD1 ILE 8 1HD1 ILE 8 11.683 -11.364 -13.489 72 2HD1 ILE 8 2HD1 ILE 8 11.867 -11.279 -11.727 73 3HD1 ILE 8 3HD1 ILE 8 12.834 -12.434 -12.675 74 HA PRO 9 HA PRO 9 8.542 -18.062 -8.750 75 1HB PRO 9 HB2 PRO 9 10.605 -19.403 -10.520 76 2HB PRO 9 HB3 PRO 9 9.158 -20.119 -9.750 77 1HG PRO 9 HG2 PRO 9 9.033 -19.332 -12.329 78 2HG PRO 9 HG3 PRO 9 7.710 -18.862 -11.217 79 1HD PRO 9 HD2 PRO 9 10.041 -17.178 -12.155 80 2HD PRO 9 HD3 PRO 9 8.303 -16.766 -11.985 81 H THR 10 H THR 10 9.412 -17.227 -6.868 82 HA THR 10 HA THR 10 11.913 -18.414 -5.984 83 HB THR 10 HB THR 10 11.582 -15.378 -5.829 84 HG1 THR 10 HG1 THR 10 12.718 -17.005 -7.738 85 1HG2 THR 10 1HG2 THR 10 13.948 -15.419 -5.097 86 2HG2 THR 10 2HG2 THR 10 12.934 -16.315 -3.962 87 3HG2 THR 10 3HG2 THR 10 13.941 -17.193 -5.135 88 H LEU 11 H LEU 11 9.752 -19.402 -5.288 89 HA LEU 11 HA LEU 11 8.223 -17.995 -3.353 90 1HB LEU 11 HB2 LEU 11 8.335 -20.893 -4.159 91 2HB LEU 11 HB3 LEU 11 7.260 -20.313 -2.878 92 HG LEU 11 HG LEU 11 7.287 -19.151 -5.703 93 1HD1 LEU 11 1HD1 LEU 11 5.225 -20.359 -6.059 94 2HD1 LEU 11 2HD1 LEU 11 6.548 -21.493 -5.704 95 3HD1 LEU 11 3HD1 LEU 11 5.349 -21.103 -4.440 96 1HD2 LEU 11 1HD2 LEU 11 5.491 -18.750 -3.260 97 2HD2 LEU 11 2HD2 LEU 11 6.359 -17.523 -4.195 98 3HD2 LEU 11 3HD2 LEU 11 4.971 -18.336 -4.905 99 H GLU 12 H GLU 12 8.617 -17.496 -1.398 100 HA GLU 12 HA GLU 12 10.276 -19.280 0.333 101 1HB GLU 12 HB2 GLU 12 10.396 -16.237 0.184 102 2HB GLU 12 HB3 GLU 12 11.159 -17.259 1.421 103 1HG GLU 12 HG2 GLU 12 12.471 -18.417 -0.376 104 2HG GLU 12 HG3 GLU 12 11.772 -17.309 -1.567 105 H GLU 13 H GLU 13 9.657 -19.282 2.507 106 HA GLU 13 HA GLU 13 6.867 -19.226 2.941 107 1HB GLU 13 HB2 GLU 13 8.559 -20.687 4.110 108 2HB GLU 13 HB3 GLU 13 9.097 -19.261 5.023 109 1HG GLU 13 HG2 GLU 13 6.727 -19.021 5.892 110 2HG GLU 13 HG3 GLU 13 6.326 -20.527 5.042 111 H CYS 14 H CYS 14 5.495 -17.720 3.835 112 HA CYS 14 HA CYS 14 6.497 -14.992 4.282 113 1HB CYS 14 HB2 CYS 14 4.339 -15.464 3.122 114 2HB CYS 14 HB3 CYS 14 3.736 -16.138 4.640 115 H ASP 15 H ASP 15 7.882 -15.368 6.023 116 HA ASP 15 HA ASP 15 7.491 -16.671 8.429 117 1HB ASP 15 HB2 ASP 15 9.188 -15.231 9.347 118 2HB ASP 15 HB3 ASP 15 9.607 -15.574 7.665 119 H VAL 16 H VAL 16 6.290 -13.496 7.466 120 HA VAL 16 HA VAL 16 5.377 -12.433 9.872 121 HB VAL 16 HB VAL 16 4.174 -12.274 7.078 122 1HG1 VAL 16 1HG1 VAL 16 2.480 -11.571 8.708 123 2HG1 VAL 16 2HG1 VAL 16 3.658 -10.459 9.456 124 3HG1 VAL 16 3HG1 VAL 16 3.101 -10.194 7.793 125 1HG2 VAL 16 1HG2 VAL 16 6.490 -11.435 7.188 126 2HG2 VAL 16 2HG2 VAL 16 5.368 -10.076 7.041 127 3HG2 VAL 16 3HG2 VAL 16 6.087 -10.458 8.614 128 H CYS 17 H CYS 17 3.538 -14.661 7.668 129 HA CYS 17 HA CYS 17 1.579 -15.113 9.887 130 1HB CYS 17 HB2 CYS 17 0.288 -16.341 8.236 131 2HB CYS 17 HB3 CYS 17 0.560 -14.658 7.791 132 H HIS 18 H HIS 18 4.507 -16.136 9.630 133 HA HIS 18 HA HIS 18 5.662 -18.004 10.103 134 1HB HIS 18 HB2 HIS 18 3.158 -19.039 11.435 135 2HB HIS 18 HB3 HIS 18 4.838 -19.218 11.955 136 HD1 HIS 18 HD1 HIS 18 5.369 -15.902 11.711 137 HD2 HIS 18 HD2 HIS 18 2.137 -17.885 13.541 138 HE1 HIS 18 HE1 HIS 18 4.343 -14.263 13.365 139 H GLY 19 H GLY 19 4.422 -17.934 7.546 140 1HA GLY 19 HA2 GLY 19 4.266 -19.312 5.745 141 2HA GLY 19 HA3 GLY 19 4.671 -20.694 6.770 142 H SER 20 H SER 20 1.875 -19.174 8.078 143 HA SER 20 HA SER 20 0.247 -21.395 7.000 144 1HB SER 20 HB2 SER 20 -1.353 -20.823 8.650 145 2HB SER 20 HB3 SER 20 0.232 -20.986 9.392 146 HG SER 20 HG SER 20 0.380 -18.758 9.560 147 H GLY 21 H GLY 21 -0.837 -18.130 7.654 148 1HA GLY 21 HA2 GLY 21 -1.222 -17.087 5.102 149 2HA GLY 21 HA3 GLY 21 -2.601 -18.165 5.324 150 H ALA 22 H ALA 22 -2.133 -17.133 8.435 151 HA ALA 22 HA ALA 22 -3.786 -14.659 8.027 152 1HB ALA 22 HB1 ALA 22 -4.849 -15.125 10.157 153 2HB ALA 22 HB2 ALA 22 -5.090 -16.486 9.054 154 3HB ALA 22 HB3 ALA 22 -3.874 -16.586 10.353 155 H LYS 23 H LYS 23 -3.501 -12.955 9.617 156 HA LYS 23 HA LYS 23 -0.916 -12.116 9.589 157 1HB LYS 23 HB2 LYS 23 -1.641 -10.258 10.987 158 2HB LYS 23 HB3 LYS 23 -2.948 -10.730 9.920 159 1HG LYS 23 HG2 LYS 23 -4.085 -11.891 11.669 160 2HG LYS 23 HG3 LYS 23 -2.730 -11.823 12.769 161 1HD LYS 23 HD2 LYS 23 -4.120 -9.305 11.802 162 2HD LYS 23 HD3 LYS 23 -4.674 -10.226 13.207 163 1HE LYS 23 HE2 LYS 23 -1.892 -8.990 12.936 164 2HE LYS 23 HE3 LYS 23 -3.239 -8.367 13.898 165 1HZ LYS 23 HZ1 LYS 23 -1.848 -9.558 15.312 166 2HZ LYS 23 HZ2 LYS 23 -3.191 -10.495 15.109 167 3HZ LYS 23 HZ3 LYS 23 -1.789 -10.885 14.347 168 HA PRO 24 HA PRO 24 1.688 -13.667 12.723 169 1HB PRO 24 HB2 PRO 24 1.705 -10.978 14.123 170 2HB PRO 24 HB3 PRO 24 3.093 -12.049 13.770 171 1HG PRO 24 HG2 PRO 24 2.588 -9.910 12.183 172 2HG PRO 24 HG3 PRO 24 3.009 -11.477 11.448 173 1HD PRO 24 HD2 PRO 24 0.310 -10.230 11.823 174 2HD PRO 24 HD3 PRO 24 0.931 -11.067 10.371 175 H GLY 25 H GLY 25 1.393 -14.874 14.584 176 1HA GLY 25 HA2 GLY 25 0.559 -15.528 16.622 177 2HA GLY 25 HA3 GLY 25 -0.119 -13.915 16.873 178 H THR 26 H THR 26 -2.003 -13.539 15.018 179 HA THR 26 HA THR 26 -4.136 -15.329 15.773 180 HB THR 26 HB THR 26 -4.256 -13.233 13.589 181 HG1 THR 26 HG1 THR 26 -4.126 -12.851 16.386 182 1HG2 THR 26 1HG2 THR 26 -6.499 -12.842 14.467 183 2HG2 THR 26 2HG2 THR 26 -6.303 -14.543 14.015 184 3HG2 THR 26 3HG2 THR 26 -6.254 -14.069 15.731 185 H GLN 27 H GLN 27 -2.738 -17.192 14.855 186 HA GLN 27 HA GLN 27 -2.437 -17.606 12.116 187 1HB GLN 27 HB2 GLN 27 -2.207 -20.022 12.740 188 2HB GLN 27 HB3 GLN 27 -1.231 -18.939 13.727 189 1HG GLN 27 HG2 GLN 27 -2.472 -19.308 15.644 190 2HG GLN 27 HG3 GLN 27 -3.977 -19.632 14.786 191 1HE2 GLN 27 1HE2 GLN 27 -3.344 -23.097 14.242 192 2HE2 GLN 27 2HE2 GLN 27 -4.203 -21.710 13.583 193 HA PRO 28 HA PRO 28 -6.430 -18.880 10.512 194 1HB PRO 28 HB2 PRO 28 -5.011 -21.336 9.516 195 2HB PRO 28 HB3 PRO 28 -6.067 -20.233 8.576 196 1HG PRO 28 HG2 PRO 28 -3.435 -20.107 8.211 197 2HG PRO 28 HG3 PRO 28 -4.321 -18.584 8.489 198 1HD PRO 28 HD2 PRO 28 -2.855 -20.267 10.556 199 2HD PRO 28 HD3 PRO 28 -2.673 -18.520 10.213 200 H GLN 29 H GLN 29 -7.896 -20.991 10.419 201 HA GLN 29 HA GLN 29 -7.389 -22.687 12.872 202 1HB GLN 29 HB2 GLN 29 -10.031 -21.705 11.750 203 2HB GLN 29 HB3 GLN 29 -9.821 -22.770 13.145 204 1HG GLN 29 HG2 GLN 29 -8.759 -19.896 12.985 205 2HG GLN 29 HG3 GLN 29 -10.281 -20.384 13.719 206 1HE2 GLN 29 1HE2 GLN 29 -6.789 -21.195 15.738 207 2HE2 GLN 29 2HE2 GLN 29 -6.692 -20.831 14.024 208 H THR 30 H THR 30 -7.083 -24.821 12.433 209 HA THR 30 HA THR 30 -6.832 -25.959 10.021 210 HB THR 30 HB THR 30 -8.058 -27.402 12.411 211 HG1 THR 30 HG1 THR 30 -5.913 -27.340 13.258 212 1HG2 THR 30 1HG2 THR 30 -7.503 -28.778 10.427 213 2HG2 THR 30 2HG2 THR 30 -5.837 -28.149 10.450 214 3HG2 THR 30 3HG2 THR 30 -6.430 -29.161 11.784 215 H CYS 31 H CYS 31 -8.226 -26.503 8.299 216 HA CYS 31 HA CYS 31 -11.054 -26.085 8.568 217 1HB CYS 31 HB2 CYS 31 -9.826 -25.855 6.429 218 2HB CYS 31 HB3 CYS 31 -9.510 -27.587 6.457 219 HA PRO 32 HA PRO 32 -11.503 -30.155 10.497 220 1HB PRO 32 HB2 PRO 32 -14.150 -30.143 11.114 221 2HB PRO 32 HB3 PRO 32 -12.936 -29.140 11.968 222 1HG PRO 32 HG2 PRO 32 -14.766 -28.265 9.711 223 2HG PRO 32 HG3 PRO 32 -14.498 -27.459 11.282 224 1HD PRO 32 HD2 PRO 32 -13.161 -26.718 9.028 225 2HD PRO 32 HD3 PRO 32 -12.373 -26.683 10.632 226 H THR 33 H THR 33 -13.692 -29.001 7.881 227 HA THR 33 HA THR 33 -14.914 -31.250 7.035 228 HB THR 33 HB THR 33 -13.651 -29.285 5.098 229 HG1 THR 33 HG1 THR 33 -15.825 -28.728 6.828 230 1HG2 THR 33 1HG2 THR 33 -15.879 -29.342 4.056 231 2HG2 THR 33 2HG2 THR 33 -15.204 -30.978 4.174 232 3HG2 THR 33 3HG2 THR 33 -16.464 -30.456 5.311 233 H CYS 34 H CYS 34 -11.554 -30.310 6.270 234 HA CYS 34 HA CYS 34 -11.102 -32.970 4.942 235 1HB CYS 34 HB2 CYS 34 -9.239 -31.868 3.829 236 2HB CYS 34 HB3 CYS 34 -10.771 -31.175 3.367 237 H HIS 35 H HIS 35 -10.956 -32.010 7.923 238 HA HIS 35 HA HIS 35 -9.565 -32.221 9.713 239 1HB HIS 35 HB2 HIS 35 -8.483 -34.570 8.113 240 2HB HIS 35 HB3 HIS 35 -8.398 -34.358 9.861 241 HD1 HIS 35 HD1 HIS 35 -11.819 -33.386 9.257 242 HD2 HIS 35 HD2 HIS 35 -9.639 -36.988 9.088 243 HE1 HIS 35 HE1 HIS 35 -13.509 -35.273 9.467 244 H GLY 36 H GLY 36 -8.646 -30.262 7.994 245 1HA GLY 36 HA2 GLY 36 -6.837 -28.889 7.853 246 2HA GLY 36 HA3 GLY 36 -5.905 -30.023 8.827 247 H SER 37 H SER 37 -6.954 -31.824 6.107 248 HA SER 37 HA SER 37 -4.260 -31.873 5.111 249 1HB SER 37 HB2 SER 37 -5.096 -33.447 3.491 250 2HB SER 37 HB3 SER 37 -5.857 -33.793 5.054 251 HG SER 37 HG SER 37 -7.427 -33.819 3.439 252 H GLY 38 H GLY 38 -7.232 -30.962 3.574 253 1HA GLY 38 HA2 GLY 38 -7.468 -28.722 2.400 254 2HA GLY 38 HA3 GLY 38 -5.897 -29.062 1.659 255 H GLN 39 H GLN 39 -7.802 -31.967 2.084 256 HA GLN 39 HA GLN 39 -9.057 -31.697 -0.579 257 1HB GLN 39 HB2 GLN 39 -8.183 -33.933 -1.229 258 2HB GLN 39 HB3 GLN 39 -6.988 -32.644 -1.165 259 1HG GLN 39 HG2 GLN 39 -5.951 -34.585 -0.290 260 2HG GLN 39 HG3 GLN 39 -6.190 -33.479 1.056 261 1HE2 GLN 39 1HE2 GLN 39 -8.434 -36.971 0.832 262 2HE2 GLN 39 2HE2 GLN 39 -7.842 -36.205 -0.644 263 H VAL 40 H VAL 40 -10.769 -33.112 -0.962 264 HA VAL 40 HA VAL 40 -11.947 -34.442 1.449 265 HB VAL 40 HB VAL 40 -14.149 -33.774 0.429 266 1HG1 VAL 40 1HG1 VAL 40 -12.377 -31.471 1.310 267 2HG1 VAL 40 2HG1 VAL 40 -14.156 -31.509 1.334 268 3HG1 VAL 40 3HG1 VAL 40 -13.233 -32.608 2.379 269 1HG2 VAL 40 1HG2 VAL 40 -12.513 -31.781 -1.208 270 2HG2 VAL 40 2HG2 VAL 40 -13.307 -33.218 -1.870 271 3HG2 VAL 40 3HG2 VAL 40 -14.277 -31.929 -1.148 272 H GLN 41 H GLN 41 -12.975 -36.410 1.004 273 HA GLN 41 HA GLN 41 -12.502 -37.529 -1.712 274 1HB GLN 41 HB2 GLN 41 -11.341 -38.580 0.188 275 2HB GLN 41 HB3 GLN 41 -12.923 -39.030 0.858 276 1HG GLN 41 HG2 GLN 41 -13.412 -40.271 -1.300 277 2HG GLN 41 HG3 GLN 41 -11.817 -39.810 -1.900 278 1HE2 GLN 41 1HE2 GLN 41 -11.059 -43.120 -0.760 279 2HE2 GLN 41 2HE2 GLN 41 -11.633 -42.203 -2.152 280 H MET 42 H MET 42 -14.322 -37.346 -2.921 281 HA MET 42 HA MET 42 -16.981 -37.274 -1.675 282 1HB MET 42 HB2 MET 42 -16.487 -35.895 -3.619 283 2HB MET 42 HB3 MET 42 -16.179 -37.328 -4.615 284 1HG MET 42 HG2 MET 42 -18.444 -38.026 -4.492 285 2HG MET 42 HG3 MET 42 -18.796 -37.024 -3.092 286 1HE MET 42 HE1 MET 42 -19.394 -34.660 -3.025 287 2HE MET 42 HE2 MET 42 -17.849 -34.144 -3.733 288 3HE MET 42 HE3 MET 42 -19.374 -33.529 -4.404 289 H ARG 43 H ARG 43 -17.094 -39.248 -0.652 290 HA ARG 43 HA ARG 43 -16.583 -41.788 -1.981 291 1HB ARG 43 HB2 ARG 43 -17.968 -41.182 0.651 292 2HB ARG 43 HB3 ARG 43 -17.505 -42.789 0.050 293 1HG ARG 43 HG2 ARG 43 -15.137 -41.963 -0.178 294 2HG ARG 43 HG3 ARG 43 -15.609 -40.460 0.622 295 1HD ARG 43 HD2 ARG 43 -16.154 -41.668 2.662 296 2HD ARG 43 HD3 ARG 43 -15.839 -43.229 1.855 297 HE ARG 43 HE ARG 43 -13.548 -41.610 1.512 298 1HH1 ARG 43 1HH1 ARG 43 -11.660 -42.730 4.158 299 2HH1 ARG 43 2HH1 ARG 43 -11.713 -41.974 2.571 300 1HH2 ARG 43 1HH2 ARG 43 -13.745 -43.486 5.091 301 2HH2 ARG 43 2HH2 ARG 43 -15.209 -43.210 4.184 302 H GLN 44 H GLN 44 -17.902 -41.098 -3.908 303 HA GLN 44 HA GLN 44 -20.786 -41.145 -3.662 304 1HB GLN 44 HB2 GLN 44 -20.864 -41.000 -6.051 305 2HB GLN 44 HB3 GLN 44 -19.797 -39.792 -5.368 306 1HG GLN 44 HG2 GLN 44 -18.621 -42.396 -6.414 307 2HG GLN 44 HG3 GLN 44 -19.192 -41.195 -7.558 308 1HE2 GLN 44 1HE2 GLN 44 -16.707 -38.707 -6.571 309 2HE2 GLN 44 2HE2 GLN 44 -18.438 -38.791 -6.839 310 H GLY 45 H GLY 45 -20.033 -43.432 -2.413 311 1HA GLY 45 HA2 GLY 45 -20.616 -45.610 -2.209 312 2HA GLY 45 HA3 GLY 45 -21.786 -45.325 -3.499 313 H PHE 46 H PHE 46 -20.794 -45.387 -5.781 314 HA PHE 46 HA PHE 46 -19.588 -48.011 -6.105 315 1HB PHE 46 HB2 PHE 46 -19.718 -47.532 -8.516 316 2HB PHE 46 HB3 PHE 46 -21.246 -47.378 -7.670 317 HD1 PHE 46 HD1 PHE 46 -22.340 -45.164 -7.364 318 HD2 PHE 46 HD2 PHE 46 -18.711 -45.620 -9.652 319 HE1 PHE 46 HE1 PHE 46 -22.636 -42.893 -8.289 320 HE2 PHE 46 HE2 PHE 46 -19.052 -43.370 -10.624 321 HZ PHE 46 HZ PHE 46 -20.992 -41.984 -9.920 322 H PHE 47 H PHE 47 -18.487 -44.672 -6.504 323 HA PHE 47 HA PHE 47 -15.637 -45.612 -6.546 324 1HB PHE 47 HB2 PHE 47 -16.864 -43.190 -7.922 325 2HB PHE 47 HB3 PHE 47 -15.139 -43.509 -7.811 326 HD1 PHE 47 HD1 PHE 47 -15.710 -46.697 -8.474 327 HD2 PHE 47 HD2 PHE 47 -16.425 -42.865 -10.339 328 HE1 PHE 47 HE1 PHE 47 -15.834 -47.786 -10.670 329 HE2 PHE 47 HE2 PHE 47 -16.522 -43.976 -12.551 330 HZ PHE 47 HZ PHE 47 -16.255 -46.442 -12.720 331 H ALA 48 H ALA 48 -14.193 -43.807 -5.744 332 HA ALA 48 HA ALA 48 -15.433 -42.021 -3.783 333 1HB ALA 48 HB1 ALA 48 -15.188 -44.125 -2.508 334 2HB ALA 48 HB2 ALA 48 -13.479 -44.229 -2.984 335 3HB ALA 48 HB3 ALA 48 -14.032 -42.913 -1.931 336 H VAL 49 H VAL 49 -14.545 -40.824 -5.783 337 HA VAL 49 HA VAL 49 -11.617 -40.505 -5.745 338 HB VAL 49 HB VAL 49 -11.982 -38.836 -7.500 339 1HG1 VAL 49 1HG1 VAL 49 -11.611 -41.197 -7.942 340 2HG1 VAL 49 2HG1 VAL 49 -13.361 -41.503 -7.922 341 3HG1 VAL 49 3HG1 VAL 49 -12.653 -40.468 -9.188 342 1HG2 VAL 49 1HG2 VAL 49 -14.090 -38.405 -8.513 343 2HG2 VAL 49 2HG2 VAL 49 -14.918 -39.570 -7.480 344 3HG2 VAL 49 3HG2 VAL 49 -14.287 -38.057 -6.786 345 H GLN 50 H GLN 50 -10.893 -38.016 -5.872 346 HA GLN 50 HA GLN 50 -12.107 -36.629 -3.581 347 1HB GLN 50 HB2 GLN 50 -10.049 -36.535 -2.378 348 2HB GLN 50 HB3 GLN 50 -10.081 -38.188 -2.996 349 1HG GLN 50 HG2 GLN 50 -8.631 -37.388 -4.921 350 2HG GLN 50 HG3 GLN 50 -8.592 -35.788 -4.141 351 1HE2 GLN 50 1HE2 GLN 50 -6.329 -38.812 -2.555 352 2HE2 GLN 50 2HE2 GLN 50 -7.513 -39.175 -3.797 353 H GLN 51 H GLN 51 -11.444 -34.431 -3.317 354 HA GLN 51 HA GLN 51 -10.380 -33.099 -5.735 355 1HB GLN 51 HB2 GLN 51 -12.904 -32.015 -4.459 356 2HB GLN 51 HB3 GLN 51 -12.192 -31.655 -6.023 357 1HG GLN 51 HG2 GLN 51 -14.128 -32.871 -6.538 358 2HG GLN 51 HG3 GLN 51 -12.828 -34.045 -6.740 359 1HE2 GLN 51 1HE2 GLN 51 -15.274 -34.352 -3.381 360 2HE2 GLN 51 2HE2 GLN 51 -14.843 -32.765 -3.989 361 H THR 52 H THR 52 -9.946 -30.752 -5.219 362 HA THR 52 HA THR 52 -8.600 -30.409 -2.741 363 HB THR 52 HB THR 52 -9.667 -28.305 -4.688 364 HG1 THR 52 HG1 THR 52 -7.314 -29.881 -4.847 365 1HG2 THR 52 1HG2 THR 52 -8.658 -27.352 -2.679 366 2HG2 THR 52 2HG2 THR 52 -7.214 -28.375 -2.878 367 3HG2 THR 52 3HG2 THR 52 -7.581 -27.102 -4.065 368 H CYS 53 H CYS 53 -9.336 -29.332 -0.804 369 HA CYS 53 HA CYS 53 -12.182 -29.336 -0.382 370 1HB CYS 53 HB2 CYS 53 -10.552 -29.855 1.380 371 2HB CYS 53 HB3 CYS 53 -9.970 -28.189 1.326 372 HA PRO 54 HA PRO 54 -12.431 -25.114 -2.088 373 1HB PRO 54 HB2 PRO 54 -15.133 -24.709 -1.976 374 2HB PRO 54 HB3 PRO 54 -14.349 -25.769 -3.182 375 1HG PRO 54 HG2 PRO 54 -15.664 -26.599 -0.584 376 2HG PRO 54 HG3 PRO 54 -15.895 -27.304 -2.207 377 1HD PRO 54 HD2 PRO 54 -14.190 -28.399 -0.393 378 2HD PRO 54 HD3 PRO 54 -13.812 -28.395 -2.140 379 H HIS 55 H HIS 55 -14.101 -26.110 0.904 380 HA HIS 55 HA HIS 55 -14.752 -23.723 2.046 381 1HB HIS 55 HB2 HIS 55 -15.176 -26.077 2.875 382 2HB HIS 55 HB3 HIS 55 -13.565 -26.044 3.604 383 HD1 HIS 55 HD1 HIS 55 -14.220 -22.785 4.488 384 HD2 HIS 55 HD2 HIS 55 -16.230 -26.381 5.357 385 HE1 HIS 55 HE1 HIS 55 -15.604 -22.367 6.604 386 H CYS 56 H CYS 56 -11.485 -25.067 1.856 387 HA CYS 56 HA CYS 56 -10.381 -22.553 3.081 388 1HB CYS 56 HB2 CYS 56 -8.520 -23.934 3.904 389 2HB CYS 56 HB3 CYS 56 -10.056 -24.306 4.673 390 H GLN 57 H GLN 57 -10.994 -23.479 0.200 391 HA GLN 57 HA GLN 57 -9.978 -23.563 -1.843 392 1HB GLN 57 HB2 GLN 57 -8.313 -21.383 -0.508 393 2HB GLN 57 HB3 GLN 57 -8.476 -21.616 -2.251 394 1HG GLN 57 HG2 GLN 57 -10.812 -20.961 -0.391 395 2HG GLN 57 HG3 GLN 57 -9.892 -19.795 -1.340 396 1HE2 GLN 57 1HE2 GLN 57 -12.729 -22.043 -3.211 397 2HE2 GLN 57 2HE2 GLN 57 -12.361 -22.325 -1.514 398 H GLY 58 H GLY 58 -9.017 -25.658 -0.323 399 1HA GLY 58 HA2 GLY 58 -7.384 -27.259 -0.456 400 2HA GLY 58 HA3 GLY 58 -6.582 -26.299 -1.708 401 H ARG 59 H ARG 59 -6.750 -24.250 0.947 402 HA ARG 59 HA ARG 59 -3.918 -24.624 1.502 403 1HB ARG 59 HB2 ARG 59 -5.904 -22.714 2.798 404 2HB ARG 59 HB3 ARG 59 -4.138 -22.602 2.814 405 1HG ARG 59 HG2 ARG 59 -4.151 -22.348 0.320 406 2HG ARG 59 HG3 ARG 59 -5.916 -22.409 0.345 407 1HD ARG 59 HD2 ARG 59 -5.906 -20.369 1.838 408 2HD ARG 59 HD3 ARG 59 -4.166 -20.233 1.497 409 HE ARG 59 HE ARG 59 -5.897 -20.572 -0.845 410 1HH1 ARG 59 1HH1 ARG 59 -5.915 -19.017 -2.431 411 2HH1 ARG 59 2HH1 ARG 59 -5.038 -17.533 -2.214 412 1HH2 ARG 59 1HH2 ARG 59 -4.392 -18.095 1.224 413 2HH2 ARG 59 2HH2 ARG 59 -4.473 -16.854 -0.001 414 H GLY 60 H GLY 60 -6.625 -26.202 2.690 415 1HA GLY 60 HA2 GLY 60 -6.956 -27.632 4.470 416 2HA GLY 60 HA3 GLY 60 -5.254 -27.434 4.876 417 H THR 61 H THR 61 -6.079 -24.314 4.967 418 HA THR 61 HA THR 61 -6.879 -24.320 7.825 419 HB THR 61 HB THR 61 -5.407 -22.166 7.572 420 HG1 THR 61 HG1 THR 61 -4.247 -23.773 5.540 421 1HG2 THR 61 1HG2 THR 61 -4.835 -24.051 9.044 422 2HG2 THR 61 2HG2 THR 61 -4.179 -24.953 7.658 423 3HG2 THR 61 3HG2 THR 61 -3.393 -23.454 8.204 424 H LEU 62 H LEU 62 -8.529 -23.067 8.365 425 HA LEU 62 HA LEU 62 -9.988 -21.459 6.398 426 1HB LEU 62 HB2 LEU 62 -10.314 -21.680 9.421 427 2HB LEU 62 HB3 LEU 62 -11.429 -20.895 8.308 428 HG LEU 62 HG LEU 62 -10.756 -23.869 8.279 429 1HD1 LEU 62 1HD1 LEU 62 -13.019 -24.125 9.288 430 2HD1 LEU 62 2HD1 LEU 62 -11.917 -23.219 10.342 431 3HD1 LEU 62 3HD1 LEU 62 -13.152 -22.355 9.403 432 1HD2 LEU 62 1HD2 LEU 62 -12.792 -24.024 6.853 433 2HD2 LEU 62 2HD2 LEU 62 -12.897 -22.246 6.834 434 3HD2 LEU 62 3HD2 LEU 62 -11.524 -23.074 6.070 435 H ILE 63 H ILE 63 -8.894 -19.728 5.785 436 HA ILE 63 HA ILE 63 -6.954 -18.282 7.335 437 HB ILE 63 HB ILE 63 -8.405 -17.511 4.775 438 1HG1 ILE 63 2HG1 ILE 63 -7.395 -19.631 4.319 439 2HG1 ILE 63 3HG1 ILE 63 -6.388 -18.379 3.608 440 1HG2 ILE 63 1HG2 ILE 63 -5.822 -16.516 6.040 441 2HG2 ILE 63 2HG2 ILE 63 -6.303 -16.195 4.360 442 3HG2 ILE 63 3HG2 ILE 63 -7.299 -15.600 5.686 443 1HD1 ILE 63 1HD1 ILE 63 -4.954 -20.025 4.612 444 2HD1 ILE 63 2HD1 ILE 63 -4.849 -18.564 5.610 445 3HD1 ILE 63 3HD1 ILE 63 -5.817 -19.953 6.152 446 H LYS 64 H LYS 64 -8.270 -18.079 9.223 447 HA LYS 64 HA LYS 64 -10.589 -16.849 9.714 448 1HB LYS 64 HB2 LYS 64 -9.076 -17.794 11.441 449 2HB LYS 64 HB3 LYS 64 -7.950 -16.463 11.182 450 1HG LYS 64 HG2 LYS 64 -8.923 -15.883 13.142 451 2HG LYS 64 HG3 LYS 64 -9.838 -14.887 12.032 452 1HD LYS 64 HD2 LYS 64 -10.700 -17.543 13.300 453 2HD LYS 64 HD3 LYS 64 -11.202 -15.934 13.813 454 1HE LYS 64 HE2 LYS 64 -12.004 -17.370 11.256 455 2HE LYS 64 HE3 LYS 64 -13.014 -16.905 12.615 456 1HZ LYS 64 HZ1 LYS 64 -13.294 -15.389 10.834 457 2HZ LYS 64 HZ2 LYS 64 -12.590 -14.606 12.099 458 3HZ LYS 64 HZ3 LYS 64 -11.693 -15.025 10.780 459 H ASP 65 H ASP 65 -7.551 -15.160 9.006 460 HA ASP 65 HA ASP 65 -8.973 -12.816 8.040 461 1HB ASP 65 HB2 ASP 65 -7.545 -11.239 9.240 462 2HB ASP 65 HB3 ASP 65 -8.416 -12.234 10.411 463 HA PRO 66 HA PRO 66 -5.673 -13.914 5.214 464 1HB PRO 66 HB2 PRO 66 -5.821 -11.980 3.340 465 2HB PRO 66 HB3 PRO 66 -7.193 -13.083 3.650 466 1HG PRO 66 HG2 PRO 66 -6.822 -10.258 4.695 467 2HG PRO 66 HG3 PRO 66 -8.272 -10.967 3.936 468 1HD PRO 66 HD2 PRO 66 -7.888 -10.811 6.688 469 2HD PRO 66 HD3 PRO 66 -8.861 -12.085 5.892 470 H CYS 67 H CYS 67 -3.479 -13.799 5.569 471 HA CYS 67 HA CYS 67 -2.187 -11.428 6.640 472 1HB CYS 67 HB2 CYS 67 -1.277 -13.646 7.035 473 2HB CYS 67 HB3 CYS 67 -1.106 -13.938 5.308 474 H ASN 68 H ASN 68 -3.031 -9.910 5.090 475 HA ASN 68 HA ASN 68 -3.225 -9.825 2.442 476 1HB ASN 68 HB2 ASN 68 -3.780 -7.925 3.878 477 2HB ASN 68 HB3 ASN 68 -2.058 -7.567 4.108 478 1HD2 ASN 68 1HD2 ASN 68 -2.359 -5.316 1.381 479 2HD2 ASN 68 2HD2 ASN 68 -1.988 -5.513 3.083 480 H LYS 69 H LYS 69 -0.084 -9.246 4.050 481 HA LYS 69 HA LYS 69 1.559 -8.507 1.999 482 1HB LYS 69 HB2 LYS 69 2.242 -8.816 4.356 483 2HB LYS 69 HB3 LYS 69 2.208 -10.576 4.137 484 1HG LYS 69 HG2 LYS 69 3.981 -10.383 2.389 485 2HG LYS 69 HG3 LYS 69 3.987 -8.624 2.600 486 1HD LYS 69 HD2 LYS 69 4.725 -8.911 4.944 487 2HD LYS 69 HD3 LYS 69 4.642 -10.678 4.761 488 1HE LYS 69 HE2 LYS 69 6.358 -10.560 2.945 489 2HE LYS 69 HE3 LYS 69 6.459 -8.803 3.170 490 1HZ LYS 69 HZ1 LYS 69 8.191 -9.933 4.321 491 2HZ LYS 69 HZ2 LYS 69 7.194 -9.208 5.413 492 3HZ LYS 69 HZ3 LYS 69 7.119 -10.838 5.181 493 H CYS 70 H CYS 70 0.347 -11.823 2.580 494 HA CYS 70 HA CYS 70 1.576 -12.706 -0.026 495 1HB CYS 70 HB2 CYS 70 1.812 -14.894 0.980 496 2HB CYS 70 HB3 CYS 70 2.604 -13.696 2.015 497 H HIS 71 H HIS 71 -1.177 -11.523 0.840 498 HA HIS 71 HA HIS 71 -3.417 -11.954 0.636 499 1HB HIS 71 HB2 HIS 71 -2.329 -13.344 -1.831 500 2HB HIS 71 HB3 HIS 71 -4.041 -12.972 -1.567 501 HD1 HIS 71 HD1 HIS 71 -2.174 -10.025 -0.342 502 HD2 HIS 71 HD2 HIS 71 -3.289 -11.670 -4.062 503 HE1 HIS 71 HE1 HIS 71 -2.051 -8.145 -2.036 504 H GLY 72 H GLY 72 -2.225 -13.493 2.474 505 1HA GLY 72 HA2 GLY 72 -2.342 -15.309 3.725 506 2HA GLY 72 HA3 GLY 72 -4.033 -15.445 3.204 507 H HIS 73 H HIS 73 -1.277 -15.947 0.941 508 HA HIS 73 HA HIS 73 -2.099 -18.755 0.546 509 1HB HIS 73 HB2 HIS 73 0.201 -17.137 -0.617 510 2HB HIS 73 HB3 HIS 73 -0.227 -18.791 -1.069 511 HD1 HIS 73 HD1 HIS 73 -1.548 -15.226 -1.388 512 HD2 HIS 73 HD2 HIS 73 -2.441 -19.150 -2.591 513 HE1 HIS 73 HE1 HIS 73 -3.425 -15.054 -3.140 514 H GLY 74 H GLY 74 0.496 -16.935 1.985 515 1HA GLY 74 HA2 GLY 74 1.616 -17.458 3.938 516 2HA GLY 74 HA3 GLY 74 1.312 -19.165 3.766 517 H ARG 75 H ARG 75 2.362 -17.935 0.774 518 HA ARG 75 HA ARG 75 5.220 -17.898 1.387 519 1HB ARG 75 HB2 ARG 75 5.692 -19.424 -0.518 520 2HB ARG 75 HB3 ARG 75 4.969 -20.209 0.877 521 1HG ARG 75 HG2 ARG 75 2.859 -19.377 -0.990 522 2HG ARG 75 HG3 ARG 75 4.110 -20.288 -1.827 523 1HD ARG 75 HD2 ARG 75 2.440 -21.824 -1.099 524 2HD ARG 75 HD3 ARG 75 3.893 -22.143 -0.173 525 HE ARG 75 HE ARG 75 1.342 -20.847 0.737 526 1HH1 ARG 75 1HH1 ARG 75 0.711 -21.102 2.799 527 2HH1 ARG 75 2HH1 ARG 75 1.814 -21.642 4.055 528 1HH2 ARG 75 1HH2 ARG 75 4.485 -22.177 1.773 529 2HH2 ARG 75 2HH2 ARG 75 3.943 -22.373 3.422 530 H VAL 76 H VAL 76 6.398 -16.754 -0.246 531 HA VAL 76 HA VAL 76 4.732 -15.160 -2.144 532 HB VAL 76 HB VAL 76 6.068 -13.173 -1.374 533 1HG1 VAL 76 1HG1 VAL 76 4.649 -12.688 0.536 534 2HG1 VAL 76 2HG1 VAL 76 3.721 -13.563 -0.697 535 3HG1 VAL 76 3HG1 VAL 76 4.310 -14.418 0.749 536 1HG2 VAL 76 1HG2 VAL 76 7.900 -14.376 -0.158 537 2HG2 VAL 76 2HG2 VAL 76 7.092 -13.142 0.816 538 3HG2 VAL 76 3HG2 VAL 76 6.726 -14.856 1.082 539 H GLU 77 H GLU 77 5.751 -14.519 -4.009 540 HA GLU 77 HA GLU 77 8.168 -15.993 -4.799 541 1HB GLU 77 HB2 GLU 77 6.347 -14.038 -6.254 542 2HB GLU 77 HB3 GLU 77 7.831 -14.725 -6.938 543 1HG GLU 77 HG2 GLU 77 6.951 -17.003 -6.646 544 2HG GLU 77 HG3 GLU 77 5.408 -16.316 -6.073 545 H ARG 78 H ARG 78 9.470 -15.063 -3.138 546 HA ARG 78 HA ARG 78 9.914 -12.217 -2.989 547 1HB ARG 78 HB2 ARG 78 9.960 -13.971 -1.165 548 2HB ARG 78 HB3 ARG 78 11.552 -14.452 -1.748 549 1HG ARG 78 HG2 ARG 78 12.405 -12.152 -1.310 550 2HG ARG 78 HG3 ARG 78 10.781 -11.626 -0.827 551 1HD ARG 78 HD2 ARG 78 12.444 -13.765 0.535 552 2HD ARG 78 HD3 ARG 78 12.228 -12.118 1.133 553 HE ARG 78 HE ARG 78 9.678 -12.792 0.987 554 1HH1 ARG 78 1HH1 ARG 78 8.372 -13.878 2.470 555 2HH1 ARG 78 2HH1 ARG 78 9.009 -15.185 3.438 556 1HH2 ARG 78 1HH2 ARG 78 12.297 -14.904 2.194 557 2HH2 ARG 78 2HH2 ARG 78 11.288 -15.595 3.434 558 H SER 79 H SER 79 10.344 -12.366 -5.520 559 HA SER 79 HA SER 79 13.247 -12.779 -6.102 560 1HB SER 79 HB2 SER 79 12.282 -12.279 -8.479 561 2HB SER 79 HB3 SER 79 12.042 -13.865 -7.755 562 HG SER 79 HG SER 79 10.011 -13.577 -7.869 Start of MODEL 15 1 H GLY 1 H GLY 1 18.165 -20.521 -20.099 2 1HA GLY 1 HA2 GLY 1 20.165 -21.406 -18.121 3 2HA GLY 1 HA3 GLY 1 20.237 -19.708 -18.642 4 H VAL 2 H VAL 2 17.683 -22.075 -17.868 5 HA VAL 2 HA VAL 2 15.631 -20.490 -17.127 6 HB VAL 2 HB VAL 2 14.815 -22.295 -15.669 7 1HG1 VAL 2 1HG1 VAL 2 16.006 -23.265 -18.303 8 2HG1 VAL 2 2HG1 VAL 2 14.618 -23.949 -17.441 9 3HG1 VAL 2 3HG1 VAL 2 14.512 -22.322 -18.128 10 1HG2 VAL 2 1HG2 VAL 2 17.522 -23.612 -16.198 11 2HG2 VAL 2 2HG2 VAL 2 16.852 -23.146 -14.618 12 3HG2 VAL 2 3HG2 VAL 2 16.089 -24.427 -15.553 13 H THR 3 H THR 3 18.280 -21.391 -14.886 14 HA THR 3 HA THR 3 17.383 -20.229 -12.517 15 HB THR 3 HB THR 3 19.999 -20.017 -12.237 16 HG1 THR 3 HG1 THR 3 21.081 -21.237 -13.841 17 1HG2 THR 3 1HG2 THR 3 18.687 -22.706 -12.873 18 2HG2 THR 3 2HG2 THR 3 20.186 -22.470 -11.952 19 3HG2 THR 3 3HG2 THR 3 18.649 -21.874 -11.304 20 H LYS 4 H LYS 4 19.125 -18.735 -15.268 21 HA LYS 4 HA LYS 4 19.325 -16.133 -13.947 22 1HB LYS 4 HB2 LYS 4 20.969 -16.960 -15.639 23 2HB LYS 4 HB3 LYS 4 19.687 -16.921 -16.864 24 1HG LYS 4 HG2 LYS 4 19.446 -14.449 -16.499 25 2HG LYS 4 HG3 LYS 4 20.694 -14.530 -15.258 26 1HD LYS 4 HD2 LYS 4 21.611 -13.701 -17.376 27 2HD LYS 4 HD3 LYS 4 22.378 -15.216 -16.893 28 1HE LYS 4 HE2 LYS 4 21.879 -15.086 -19.336 29 2HE LYS 4 HE3 LYS 4 21.115 -16.473 -18.559 30 1HZ LYS 4 HZ1 LYS 4 19.789 -13.926 -19.190 31 2HZ LYS 4 HZ2 LYS 4 19.634 -15.332 -20.039 32 3HZ LYS 4 HZ3 LYS 4 19.072 -15.237 -18.493 33 H GLU 5 H GLU 5 17.280 -17.730 -16.394 34 HA GLU 5 HA GLU 5 15.800 -15.492 -17.167 35 1HB GLU 5 HB2 GLU 5 14.930 -18.386 -17.086 36 2HB GLU 5 HB3 GLU 5 14.055 -17.120 -17.937 37 1HG GLU 5 HG2 GLU 5 15.786 -16.768 -19.521 38 2HG GLU 5 HG3 GLU 5 16.987 -17.643 -18.573 39 H ILE 6 H ILE 6 15.241 -17.578 -14.524 40 HA ILE 6 HA ILE 6 12.729 -16.286 -13.746 41 HB ILE 6 HB ILE 6 12.761 -17.589 -11.709 42 1HG1 ILE 6 2HG1 ILE 6 15.224 -19.080 -12.647 43 2HG1 ILE 6 3HG1 ILE 6 15.373 -17.721 -11.542 44 1HG2 ILE 6 1HG2 ILE 6 13.318 -19.227 -14.215 45 2HG2 ILE 6 2HG2 ILE 6 12.393 -19.751 -12.796 46 3HG2 ILE 6 3HG2 ILE 6 11.784 -18.437 -13.804 47 1HD1 ILE 6 1HD1 ILE 6 15.296 -19.794 -10.300 48 2HD1 ILE 6 2HD1 ILE 6 13.850 -18.832 -9.946 49 3HD1 ILE 6 3HD1 ILE 6 13.745 -20.238 -11.030 50 H ARG 7 H ARG 7 14.128 -14.180 -14.073 51 HA ARG 7 HA ARG 7 15.756 -13.213 -12.006 52 1HB ARG 7 HB2 ARG 7 13.869 -11.669 -13.822 53 2HB ARG 7 HB3 ARG 7 15.177 -10.950 -12.868 54 1HG ARG 7 HG2 ARG 7 16.858 -12.210 -14.130 55 2HG ARG 7 HG3 ARG 7 15.602 -13.082 -15.008 56 1HD ARG 7 HD2 ARG 7 14.762 -10.876 -15.927 57 2HD ARG 7 HD3 ARG 7 16.137 -10.096 -15.144 58 HE ARG 7 HE ARG 7 17.515 -10.838 -16.805 59 1HH1 ARG 7 1HH1 ARG 7 17.970 -11.734 -18.840 60 2HH1 ARG 7 2HH1 ARG 7 16.902 -12.908 -19.562 61 1HH2 ARG 7 1HH2 ARG 7 14.620 -12.884 -16.857 62 2HH2 ARG 7 2HH2 ARG 7 14.931 -13.522 -18.443 63 H ILE 8 H ILE 8 12.370 -13.231 -12.286 64 HA ILE 8 HA ILE 8 12.030 -12.275 -9.527 65 HB ILE 8 HB ILE 8 9.713 -11.746 -11.305 66 1HG1 ILE 8 2HG1 ILE 8 10.812 -9.397 -11.658 67 2HG1 ILE 8 3HG1 ILE 8 12.348 -10.243 -11.535 68 1HG2 ILE 8 1HG2 ILE 8 11.054 -10.110 -9.142 69 2HG2 ILE 8 2HG2 ILE 8 9.437 -9.872 -9.837 70 3HG2 ILE 8 3HG2 ILE 8 9.768 -11.296 -8.844 71 1HD1 ILE 8 1HD1 ILE 8 11.602 -9.966 -13.875 72 2HD1 ILE 8 2HD1 ILE 8 11.576 -11.694 -13.494 73 3HD1 ILE 8 3HD1 ILE 8 10.064 -10.769 -13.512 74 HA PRO 9 HA PRO 9 8.392 -15.419 -10.250 75 1HB PRO 9 HB2 PRO 9 9.957 -17.164 -12.153 76 2HB PRO 9 HB3 PRO 9 8.186 -16.962 -12.010 77 1HG PRO 9 HG2 PRO 9 9.517 -15.566 -13.926 78 2HG PRO 9 HG3 PRO 9 8.377 -14.662 -12.869 79 1HD PRO 9 HD2 PRO 9 11.376 -14.915 -12.509 80 2HD PRO 9 HD3 PRO 9 10.371 -13.438 -12.525 81 H THR 10 H THR 10 9.486 -15.552 -8.026 82 HA THR 10 HA THR 10 9.760 -18.416 -7.506 83 HB THR 10 HB THR 10 11.907 -16.621 -6.331 84 HG1 THR 10 HG1 THR 10 11.796 -17.907 -8.832 85 1HG2 THR 10 1HG2 THR 10 11.685 -19.608 -6.918 86 2HG2 THR 10 2HG2 THR 10 13.029 -18.816 -6.068 87 3HG2 THR 10 3HG2 THR 10 11.417 -18.873 -5.313 88 H LEU 11 H LEU 11 8.233 -18.738 -6.020 89 HA LEU 11 HA LEU 11 7.232 -16.492 -4.441 90 1HB LEU 11 HB2 LEU 11 6.217 -19.318 -4.646 91 2HB LEU 11 HB3 LEU 11 5.438 -17.916 -3.876 92 HG LEU 11 HG LEU 11 5.946 -18.395 -6.832 93 1HD1 LEU 11 1HD1 LEU 11 3.491 -18.167 -6.899 94 2HD1 LEU 11 2HD1 LEU 11 3.965 -19.402 -5.706 95 3HD1 LEU 11 3HD1 LEU 11 3.485 -17.778 -5.158 96 1HD2 LEU 11 1HD2 LEU 11 5.070 -15.802 -5.483 97 2HD2 LEU 11 2HD2 LEU 11 6.453 -16.048 -6.584 98 3HD2 LEU 11 3HD2 LEU 11 4.808 -16.169 -7.200 99 H GLU 12 H GLU 12 8.419 -16.008 -2.840 100 HA GLU 12 HA GLU 12 9.927 -17.842 -1.157 101 1HB GLU 12 HB2 GLU 12 9.379 -14.863 -0.816 102 2HB GLU 12 HB3 GLU 12 10.610 -15.817 0.028 103 1HG GLU 12 HG2 GLU 12 11.648 -16.344 -2.223 104 2HG GLU 12 HG3 GLU 12 10.488 -15.224 -2.963 105 H GLU 13 H GLU 13 9.248 -18.766 0.674 106 HA GLU 13 HA GLU 13 6.575 -18.713 1.531 107 1HB GLU 13 HB2 GLU 13 8.293 -20.525 1.848 108 2HB GLU 13 HB3 GLU 13 8.978 -19.581 3.183 109 1HG GLU 13 HG2 GLU 13 6.913 -19.761 4.445 110 2HG GLU 13 HG3 GLU 13 6.037 -20.380 3.028 111 H CYS 14 H CYS 14 5.432 -17.332 2.840 112 HA CYS 14 HA CYS 14 6.784 -14.977 3.871 113 1HB CYS 14 HB2 CYS 14 4.505 -14.940 2.900 114 2HB CYS 14 HB3 CYS 14 3.962 -15.918 4.265 115 H ASP 15 H ASP 15 8.250 -15.793 5.359 116 HA ASP 15 HA ASP 15 7.964 -17.610 7.418 117 1HB ASP 15 HB2 ASP 15 9.832 -16.552 8.479 118 2HB ASP 15 HB3 ASP 15 10.084 -16.455 6.733 119 H VAL 16 H VAL 16 6.950 -14.228 7.373 120 HA VAL 16 HA VAL 16 6.305 -13.760 10.039 121 HB VAL 16 HB VAL 16 4.767 -12.805 7.588 122 1HG1 VAL 16 1HG1 VAL 16 4.246 -10.845 8.986 123 2HG1 VAL 16 2HG1 VAL 16 3.597 -12.335 9.677 124 3HG1 VAL 16 3HG1 VAL 16 5.069 -11.612 10.366 125 1HG2 VAL 16 1HG2 VAL 16 6.280 -10.782 7.827 126 2HG2 VAL 16 2HG2 VAL 16 7.279 -11.726 8.946 127 3HG2 VAL 16 3HG2 VAL 16 7.105 -12.230 7.248 128 H CYS 17 H CYS 17 4.338 -15.534 7.610 129 HA CYS 17 HA CYS 17 2.380 -16.247 9.794 130 1HB CYS 17 HB2 CYS 17 0.854 -16.800 8.033 131 2HB CYS 17 HB3 CYS 17 1.343 -15.102 7.998 132 H HIS 18 H HIS 18 5.168 -17.366 8.962 133 HA HIS 18 HA HIS 18 6.214 -19.347 8.666 134 1HB HIS 18 HB2 HIS 18 3.778 -20.444 10.113 135 2HB HIS 18 HB3 HIS 18 5.367 -21.206 9.999 136 HD1 HIS 18 HD1 HIS 18 6.371 -17.830 10.685 137 HD2 HIS 18 HD2 HIS 18 4.395 -20.852 12.858 138 HE1 HIS 18 HE1 HIS 18 6.656 -17.266 13.149 139 H GLY 19 H GLY 19 4.742 -18.466 6.438 140 1HA GLY 19 HA2 GLY 19 4.297 -19.285 4.360 141 2HA GLY 19 HA3 GLY 19 4.623 -20.921 4.932 142 H SER 20 H SER 20 2.188 -19.894 7.011 143 HA SER 20 HA SER 20 0.295 -21.587 5.612 144 1HB SER 20 HB2 SER 20 -1.212 -21.114 7.448 145 2HB SER 20 HB3 SER 20 0.393 -21.522 8.068 146 HG SER 20 HG SER 20 0.727 -19.392 8.590 147 H GLY 21 H GLY 21 -0.008 -18.321 6.741 148 1HA GLY 21 HA2 GLY 21 -0.635 -16.543 4.909 149 2HA GLY 21 HA3 GLY 21 -2.048 -17.588 4.704 150 H ALA 22 H ALA 22 -1.420 -18.062 7.917 151 HA ALA 22 HA ALA 22 -3.556 -16.295 8.735 152 1HB ALA 22 HB1 ALA 22 -1.672 -17.989 10.418 153 2HB ALA 22 HB2 ALA 22 -3.280 -17.382 10.871 154 3HB ALA 22 HB3 ALA 22 -3.117 -18.601 9.592 155 H LYS 23 H LYS 23 -3.388 -14.358 9.924 156 HA LYS 23 HA LYS 23 -1.092 -12.810 9.729 157 1HB LYS 23 HB2 LYS 23 -2.096 -11.274 11.348 158 2HB LYS 23 HB3 LYS 23 -3.300 -11.873 10.200 159 1HG LYS 23 HG2 LYS 23 -4.022 -13.552 11.881 160 2HG LYS 23 HG3 LYS 23 -2.904 -12.887 13.065 161 1HD LYS 23 HD2 LYS 23 -5.149 -11.286 11.755 162 2HD LYS 23 HD3 LYS 23 -5.263 -12.106 13.324 163 1HE LYS 23 HE2 LYS 23 -3.347 -10.754 14.171 164 2HE LYS 23 HE3 LYS 23 -3.332 -9.846 12.642 165 1HZ LYS 23 HZ1 LYS 23 -5.572 -9.169 13.104 166 2HZ LYS 23 HZ2 LYS 23 -5.574 -10.008 14.523 167 3HZ LYS 23 HZ3 LYS 23 -4.562 -8.724 14.328 168 HA PRO 24 HA PRO 24 1.937 -14.383 12.431 169 1HB PRO 24 HB2 PRO 24 2.919 -12.055 13.702 170 2HB PRO 24 HB3 PRO 24 3.435 -12.751 12.147 171 1HG PRO 24 HG2 PRO 24 1.422 -10.561 12.643 172 2HG PRO 24 HG3 PRO 24 2.681 -10.625 11.379 173 1HD PRO 24 HD2 PRO 24 0.134 -11.195 10.794 174 2HD PRO 24 HD3 PRO 24 1.399 -12.253 10.119 175 H GLY 25 H GLY 25 -0.341 -12.109 13.993 176 1HA GLY 25 HA2 GLY 25 0.191 -13.238 16.662 177 2HA GLY 25 HA3 GLY 25 -0.873 -11.903 16.239 178 H THR 26 H THR 26 -1.597 -14.741 14.247 179 HA THR 26 HA THR 26 -3.379 -15.876 16.274 180 HB THR 26 HB THR 26 -4.654 -14.610 13.826 181 HG1 THR 26 HG1 THR 26 -4.144 -13.519 16.348 182 1HG2 THR 26 1HG2 THR 26 -6.730 -14.815 15.147 183 2HG2 THR 26 2HG2 THR 26 -6.001 -16.394 14.843 184 3HG2 THR 26 3HG2 THR 26 -5.834 -15.635 16.441 185 H GLN 27 H GLN 27 -4.242 -17.891 15.668 186 HA GLN 27 HA GLN 27 -2.799 -19.210 13.460 187 1HB GLN 27 HB2 GLN 27 -4.183 -21.231 14.364 188 2HB GLN 27 HB3 GLN 27 -2.827 -20.602 15.288 189 1HG GLN 27 HG2 GLN 27 -4.785 -21.228 16.658 190 2HG GLN 27 HG3 GLN 27 -4.248 -19.573 16.895 191 1HE2 GLN 27 1HE2 GLN 27 -7.859 -20.111 14.897 192 2HE2 GLN 27 2HE2 GLN 27 -6.577 -21.229 14.530 193 HA PRO 28 HA PRO 28 -6.412 -19.058 10.774 194 1HB PRO 28 HB2 PRO 28 -6.091 -21.078 9.112 195 2HB PRO 28 HB3 PRO 28 -4.907 -19.758 9.125 196 1HG PRO 28 HG2 PRO 28 -4.663 -22.432 10.548 197 2HG PRO 28 HG3 PRO 28 -3.429 -21.642 9.522 198 1HD PRO 28 HD2 PRO 28 -3.494 -21.500 12.268 199 2HD PRO 28 HD3 PRO 28 -2.851 -20.172 11.277 200 H GLN 29 H GLN 29 -8.346 -20.540 10.156 201 HA GLN 29 HA GLN 29 -9.004 -22.135 12.610 202 1HB GLN 29 HB2 GLN 29 -11.058 -21.250 10.613 203 2HB GLN 29 HB3 GLN 29 -11.196 -21.591 12.336 204 1HG GLN 29 HG2 GLN 29 -10.099 -19.150 10.941 205 2HG GLN 29 HG3 GLN 29 -11.405 -19.230 12.126 206 1HE2 GLN 29 1HE2 GLN 29 -7.763 -18.220 13.392 207 2HE2 GLN 29 2HE2 GLN 29 -8.420 -17.933 11.816 208 H THR 30 H THR 30 -8.768 -24.355 12.422 209 HA THR 30 HA THR 30 -8.192 -25.833 10.257 210 HB THR 30 HB THR 30 -10.144 -26.780 12.393 211 HG1 THR 30 HG1 THR 30 -8.261 -26.939 13.717 212 1HG2 THR 30 1HG2 THR 30 -8.750 -28.829 12.305 213 2HG2 THR 30 2HG2 THR 30 -9.409 -28.452 10.705 214 3HG2 THR 30 3HG2 THR 30 -7.710 -28.083 11.074 215 H CYS 31 H CYS 31 -9.229 -26.323 8.318 216 HA CYS 31 HA CYS 31 -11.879 -25.401 7.820 217 1HB CYS 31 HB2 CYS 31 -10.161 -25.674 6.079 218 2HB CYS 31 HB3 CYS 31 -10.253 -27.423 6.280 219 HA PRO 32 HA PRO 32 -13.655 -29.030 9.859 220 1HB PRO 32 HB2 PRO 32 -16.284 -28.375 9.870 221 2HB PRO 32 HB3 PRO 32 -15.065 -27.539 10.885 222 1HG PRO 32 HG2 PRO 32 -16.149 -26.617 8.205 223 2HG PRO 32 HG3 PRO 32 -16.034 -25.680 9.720 224 1HD PRO 32 HD2 PRO 32 -14.128 -25.549 7.775 225 2HD PRO 32 HD3 PRO 32 -13.707 -25.437 9.508 226 H THR 33 H THR 33 -14.848 -27.751 6.709 227 HA THR 33 HA THR 33 -16.376 -29.751 5.739 228 HB THR 33 HB THR 33 -14.223 -28.420 4.067 229 HG1 THR 33 HG1 THR 33 -16.528 -27.137 5.098 230 1HG2 THR 33 1HG2 THR 33 -16.071 -28.102 2.474 231 2HG2 THR 33 2HG2 THR 33 -15.892 -29.818 2.888 232 3HG2 THR 33 3HG2 THR 33 -17.208 -28.865 3.606 233 H CYS 34 H CYS 34 -12.825 -29.753 5.909 234 HA CYS 34 HA CYS 34 -12.740 -32.598 4.928 235 1HB CYS 34 HB2 CYS 34 -10.424 -32.083 4.295 236 2HB CYS 34 HB3 CYS 34 -11.644 -31.235 3.348 237 H HIS 35 H HIS 35 -12.969 -31.139 7.769 238 HA HIS 35 HA HIS 35 -12.110 -31.400 9.864 239 1HB HIS 35 HB2 HIS 35 -11.398 -34.188 8.855 240 2HB HIS 35 HB3 HIS 35 -11.578 -33.687 10.534 241 HD1 HIS 35 HD1 HIS 35 -14.469 -32.164 8.906 242 HD2 HIS 35 HD2 HIS 35 -13.279 -36.034 10.065 243 HE1 HIS 35 HE1 HIS 35 -16.588 -33.559 9.075 244 H GLY 36 H GLY 36 -10.362 -30.030 8.202 245 1HA GLY 36 HA2 GLY 36 -8.203 -29.264 8.246 246 2HA GLY 36 HA3 GLY 36 -7.825 -30.407 9.534 247 H SER 37 H SER 37 -8.932 -32.459 7.190 248 HA SER 37 HA SER 37 -6.345 -33.408 6.533 249 1HB SER 37 HB2 SER 37 -8.910 -34.151 5.090 250 2HB SER 37 HB3 SER 37 -7.470 -35.142 5.390 251 HG SER 37 HG SER 37 -9.496 -34.296 7.168 252 H GLY 38 H GLY 38 -7.993 -30.827 5.140 253 1HA GLY 38 HA2 GLY 38 -7.617 -29.511 3.291 254 2HA GLY 38 HA3 GLY 38 -6.071 -30.345 3.110 255 H GLN 39 H GLN 39 -8.846 -32.450 3.007 256 HA GLN 39 HA GLN 39 -9.072 -32.301 0.079 257 1HB GLN 39 HB2 GLN 39 -8.494 -34.626 -0.218 258 2HB GLN 39 HB3 GLN 39 -7.165 -33.793 0.595 259 1HG GLN 39 HG2 GLN 39 -8.344 -34.653 2.814 260 2HG GLN 39 HG3 GLN 39 -9.146 -35.789 1.728 261 1HE2 GLN 39 1HE2 GLN 39 -5.109 -36.095 2.553 262 2HE2 GLN 39 2HE2 GLN 39 -5.963 -34.594 2.889 263 H VAL 40 H VAL 40 -10.988 -33.032 -0.683 264 HA VAL 40 HA VAL 40 -13.128 -33.746 1.283 265 HB VAL 40 HB VAL 40 -14.602 -33.124 -0.729 266 1HG1 VAL 40 1HG1 VAL 40 -14.546 -30.736 -0.171 267 2HG1 VAL 40 2HG1 VAL 40 -14.456 -31.771 1.271 268 3HG1 VAL 40 3HG1 VAL 40 -12.986 -30.966 0.664 269 1HG2 VAL 40 1HG2 VAL 40 -12.120 -31.598 -1.630 270 2HG2 VAL 40 2HG2 VAL 40 -12.679 -33.095 -2.372 271 3HG2 VAL 40 3HG2 VAL 40 -13.713 -31.660 -2.414 272 H GLN 41 H GLN 41 -14.043 -35.730 1.080 273 HA GLN 41 HA GLN 41 -12.907 -37.545 -0.948 274 1HB GLN 41 HB2 GLN 41 -12.712 -37.921 1.445 275 2HB GLN 41 HB3 GLN 41 -14.469 -38.183 1.526 276 1HG GLN 41 HG2 GLN 41 -14.227 -40.079 -0.099 277 2HG GLN 41 HG3 GLN 41 -12.495 -39.727 -0.248 278 1HE2 GLN 41 1HE2 GLN 41 -12.179 -42.387 2.101 279 2HE2 GLN 41 2HE2 GLN 41 -12.120 -41.979 0.387 280 H MET 42 H MET 42 -14.008 -37.635 -2.770 281 HA MET 42 HA MET 42 -16.816 -37.053 -3.037 282 1HB MET 42 HB2 MET 42 -14.684 -37.077 -4.776 283 2HB MET 42 HB3 MET 42 -15.432 -38.589 -5.220 284 1HG MET 42 HG2 MET 42 -16.736 -35.845 -5.137 285 2HG MET 42 HG3 MET 42 -16.314 -36.780 -6.574 286 1HE MET 42 HE1 MET 42 -20.235 -36.634 -6.645 287 2HE MET 42 HE2 MET 42 -18.732 -36.264 -7.526 288 3HE MET 42 HE3 MET 42 -19.139 -35.370 -6.038 289 H ARG 43 H ARG 43 -17.826 -38.455 -1.559 290 HA ARG 43 HA ARG 43 -17.445 -41.296 -1.614 291 1HB ARG 43 HB2 ARG 43 -18.156 -39.920 0.370 292 2HB ARG 43 HB3 ARG 43 -19.707 -39.646 -0.419 293 1HG ARG 43 HG2 ARG 43 -20.021 -41.295 1.233 294 2HG ARG 43 HG3 ARG 43 -20.144 -42.142 -0.303 295 1HD ARG 43 HD2 ARG 43 -17.626 -42.036 1.432 296 2HD ARG 43 HD3 ARG 43 -18.823 -43.317 1.547 297 HE ARG 43 HE ARG 43 -16.783 -42.974 -0.476 298 1HH1 ARG 43 1HH1 ARG 43 -16.581 -44.569 -2.136 299 2HH1 ARG 43 2HH1 ARG 43 -17.825 -45.782 -2.299 300 1HH2 ARG 43 1HH2 ARG 43 -19.967 -44.452 0.126 301 2HH2 ARG 43 2HH2 ARG 43 -19.735 -45.662 -1.132 302 H GLN 44 H GLN 44 -17.726 -41.154 -4.119 303 HA GLN 44 HA GLN 44 -20.417 -40.993 -5.183 304 1HB GLN 44 HB2 GLN 44 -19.352 -41.561 -7.295 305 2HB GLN 44 HB3 GLN 44 -18.460 -40.299 -6.456 306 1HG GLN 44 HG2 GLN 44 -16.569 -41.504 -6.567 307 2HG GLN 44 HG3 GLN 44 -17.302 -42.774 -5.590 308 1HE2 GLN 44 1HE2 GLN 44 -17.402 -43.200 -9.703 309 2HE2 GLN 44 2HE2 GLN 44 -17.441 -41.590 -9.007 310 H GLY 45 H GLY 45 -20.534 -42.899 -3.147 311 1HA GLY 45 HA2 GLY 45 -21.509 -44.945 -2.796 312 2HA GLY 45 HA3 GLY 45 -21.680 -45.149 -4.542 313 H PHE 46 H PHE 46 -19.377 -45.495 -5.650 314 HA PHE 46 HA PHE 46 -18.309 -47.928 -4.387 315 1HB PHE 46 HB2 PHE 46 -17.745 -46.855 -7.169 316 2HB PHE 46 HB3 PHE 46 -17.427 -48.458 -6.541 317 HD1 PHE 46 HD1 PHE 46 -19.922 -46.158 -7.930 318 HD2 PHE 46 HD2 PHE 46 -19.399 -49.975 -5.982 319 HE1 PHE 46 HE1 PHE 46 -22.217 -46.813 -8.588 320 HE2 PHE 46 HE2 PHE 46 -21.697 -50.624 -6.650 321 HZ PHE 46 HZ PHE 46 -23.110 -49.046 -7.953 322 H PHE 47 H PHE 47 -16.518 -45.490 -6.343 323 HA PHE 47 HA PHE 47 -14.117 -46.098 -4.805 324 1HB PHE 47 HB2 PHE 47 -14.515 -44.175 -7.110 325 2HB PHE 47 HB3 PHE 47 -12.992 -44.814 -6.507 326 HD1 PHE 47 HD1 PHE 47 -12.893 -47.521 -6.409 327 HD2 PHE 47 HD2 PHE 47 -15.460 -45.225 -9.012 328 HE1 PHE 47 HE1 PHE 47 -13.246 -49.515 -7.833 329 HE2 PHE 47 HE2 PHE 47 -15.824 -47.228 -10.413 330 HZ PHE 47 HZ PHE 47 -14.723 -49.380 -9.828 331 H ALA 48 H ALA 48 -14.212 -45.197 -2.777 332 HA ALA 48 HA ALA 48 -15.092 -42.472 -2.278 333 1HB ALA 48 HB1 ALA 48 -13.440 -44.322 -0.500 334 2HB ALA 48 HB2 ALA 48 -14.434 -42.936 0.000 335 3HB ALA 48 HB3 ALA 48 -15.195 -44.406 -0.620 336 H VAL 49 H VAL 49 -13.431 -41.891 -4.231 337 HA VAL 49 HA VAL 49 -10.696 -41.380 -3.183 338 HB VAL 49 HB VAL 49 -10.423 -40.303 -5.504 339 1HG1 VAL 49 1HG1 VAL 49 -9.941 -42.514 -6.476 340 2HG1 VAL 49 2HG1 VAL 49 -9.381 -42.346 -4.798 341 3HG1 VAL 49 3HG1 VAL 49 -10.856 -43.281 -5.149 342 1HG2 VAL 49 1HG2 VAL 49 -11.854 -40.987 -7.278 343 2HG2 VAL 49 2HG2 VAL 49 -12.834 -42.010 -6.222 344 3HG2 VAL 49 3HG2 VAL 49 -12.894 -40.238 -6.053 345 H GLN 50 H GLN 50 -9.747 -39.228 -3.414 346 HA GLN 50 HA GLN 50 -11.742 -37.163 -2.668 347 1HB GLN 50 HB2 GLN 50 -10.074 -36.285 -1.110 348 2HB GLN 50 HB3 GLN 50 -10.337 -37.995 -0.767 349 1HG GLN 50 HG2 GLN 50 -8.097 -37.191 -2.651 350 2HG GLN 50 HG3 GLN 50 -7.915 -36.914 -0.930 351 1HE2 GLN 50 1HE2 GLN 50 -7.308 -40.314 -0.160 352 2HE2 GLN 50 2HE2 GLN 50 -7.441 -38.658 0.427 353 H GLN 51 H GLN 51 -10.831 -34.953 -2.657 354 HA GLN 51 HA GLN 51 -9.140 -34.293 -4.984 355 1HB GLN 51 HB2 GLN 51 -11.773 -32.827 -4.473 356 2HB GLN 51 HB3 GLN 51 -10.659 -32.675 -5.818 357 1HG GLN 51 HG2 GLN 51 -12.085 -33.958 -6.937 358 2HG GLN 51 HG3 GLN 51 -11.390 -35.328 -6.097 359 1HE2 GLN 51 1HE2 GLN 51 -14.386 -35.125 -3.732 360 2HE2 GLN 51 2HE2 GLN 51 -12.676 -34.960 -3.427 361 H THR 52 H THR 52 -8.149 -32.123 -4.586 362 HA THR 52 HA THR 52 -7.564 -31.568 -1.891 363 HB THR 52 HB THR 52 -7.522 -29.645 -4.270 364 HG1 THR 52 HG1 THR 52 -5.657 -31.665 -3.568 365 1HG2 THR 52 1HG2 THR 52 -5.722 -29.925 -1.821 366 2HG2 THR 52 2HG2 THR 52 -5.450 -28.809 -3.178 367 3HG2 THR 52 3HG2 THR 52 -6.878 -28.611 -2.146 368 H CYS 53 H CYS 53 -8.587 -30.180 -0.355 369 HA CYS 53 HA CYS 53 -11.325 -29.484 -0.874 370 1HB CYS 53 HB2 CYS 53 -10.527 -30.061 1.364 371 2HB CYS 53 HB3 CYS 53 -9.526 -28.603 1.381 372 HA PRO 54 HA PRO 54 -10.022 -25.642 -2.910 373 1HB PRO 54 HB2 PRO 54 -12.444 -24.662 -3.701 374 2HB PRO 54 HB3 PRO 54 -11.655 -26.063 -4.479 375 1HG PRO 54 HG2 PRO 54 -13.811 -26.121 -2.351 376 2HG PRO 54 HG3 PRO 54 -13.759 -27.028 -3.887 377 1HD PRO 54 HD2 PRO 54 -12.963 -28.136 -1.537 378 2HD PRO 54 HD3 PRO 54 -12.128 -28.514 -3.072 379 H HIS 55 H HIS 55 -12.646 -25.747 -0.493 380 HA HIS 55 HA HIS 55 -12.963 -23.109 0.132 381 1HB HIS 55 HB2 HIS 55 -14.218 -25.101 1.025 382 2HB HIS 55 HB3 HIS 55 -12.910 -25.347 2.191 383 HD1 HIS 55 HD1 HIS 55 -12.977 -21.828 2.322 384 HD2 HIS 55 HD2 HIS 55 -15.720 -24.843 3.385 385 HE1 HIS 55 HE1 HIS 55 -14.628 -20.779 3.977 386 H CYS 56 H CYS 56 -10.332 -25.197 1.271 387 HA CYS 56 HA CYS 56 -8.975 -22.833 2.538 388 1HB CYS 56 HB2 CYS 56 -7.792 -24.513 3.916 389 2HB CYS 56 HB3 CYS 56 -9.514 -24.402 4.253 390 H GLN 57 H GLN 57 -8.980 -24.031 -0.340 391 HA GLN 57 HA GLN 57 -7.485 -24.550 -1.968 392 1HB GLN 57 HB2 GLN 57 -5.722 -22.610 -0.402 393 2HB GLN 57 HB3 GLN 57 -5.631 -22.997 -2.122 394 1HG GLN 57 HG2 GLN 57 -6.713 -20.911 -2.009 395 2HG GLN 57 HG3 GLN 57 -7.993 -22.072 -2.374 396 1HE2 GLN 57 1HE2 GLN 57 -9.866 -21.191 0.528 397 2HE2 GLN 57 2HE2 GLN 57 -9.802 -22.030 -1.006 398 H GLY 58 H GLY 58 -7.490 -26.582 -0.128 399 1HA GLY 58 HA2 GLY 58 -6.297 -28.481 0.335 400 2HA GLY 58 HA3 GLY 58 -4.942 -27.838 -0.599 401 H ARG 59 H ARG 59 -5.316 -25.443 1.680 402 HA ARG 59 HA ARG 59 -3.049 -26.427 3.195 403 1HB ARG 59 HB2 ARG 59 -4.785 -23.940 3.504 404 2HB ARG 59 HB3 ARG 59 -3.299 -24.268 4.401 405 1HG ARG 59 HG2 ARG 59 -1.989 -24.359 2.347 406 2HG ARG 59 HG3 ARG 59 -3.427 -24.067 1.355 407 1HD ARG 59 HD2 ARG 59 -2.480 -22.134 3.519 408 2HD ARG 59 HD3 ARG 59 -1.952 -22.050 1.830 409 HE ARG 59 HE ARG 59 -4.786 -22.147 1.856 410 1HH1 ARG 59 1HH1 ARG 59 -5.097 -18.659 1.430 411 2HH1 ARG 59 2HH1 ARG 59 -5.890 -20.196 1.191 412 1HH2 ARG 59 1HH2 ARG 59 -2.187 -19.933 2.925 413 2HH2 ARG 59 2HH2 ARG 59 -3.027 -18.511 2.356 414 H GLY 60 H GLY 60 -6.335 -27.094 3.537 415 1HA GLY 60 HA2 GLY 60 -7.555 -28.124 5.227 416 2HA GLY 60 HA3 GLY 60 -6.027 -28.400 6.061 417 H THR 61 H THR 61 -6.190 -25.074 5.551 418 HA THR 61 HA THR 61 -7.512 -24.511 8.150 419 HB THR 61 HB THR 61 -5.458 -22.864 8.217 420 HG1 THR 61 HG1 THR 61 -4.338 -25.016 6.748 421 1HG2 THR 61 1HG2 THR 61 -5.889 -24.541 9.931 422 2HG2 THR 61 2HG2 THR 61 -5.234 -25.827 8.886 423 3HG2 THR 61 3HG2 THR 61 -4.167 -24.552 9.506 424 H LEU 62 H LEU 62 -8.789 -22.800 8.116 425 HA LEU 62 HA LEU 62 -9.192 -21.290 5.631 426 1HB LEU 62 HB2 LEU 62 -10.646 -21.242 8.303 427 2HB LEU 62 HB3 LEU 62 -11.129 -20.352 6.861 428 HG LEU 62 HG LEU 62 -10.951 -23.396 7.003 429 1HD1 LEU 62 1HD1 LEU 62 -13.343 -21.521 7.248 430 2HD1 LEU 62 2HD1 LEU 62 -13.438 -23.287 7.102 431 3HD1 LEU 62 3HD1 LEU 62 -12.677 -22.559 8.529 432 1HD2 LEU 62 1HD2 LEU 62 -12.174 -21.493 4.955 433 2HD2 LEU 62 2HD2 LEU 62 -10.756 -22.520 4.689 434 3HD2 LEU 62 3HD2 LEU 62 -12.335 -23.268 4.939 435 H ILE 63 H ILE 63 -8.114 -19.524 5.294 436 HA ILE 63 HA ILE 63 -6.642 -18.094 7.355 437 HB ILE 63 HB ILE 63 -7.087 -17.454 4.406 438 1HG1 ILE 63 2HG1 ILE 63 -6.115 -19.700 4.523 439 2HG1 ILE 63 3HG1 ILE 63 -4.983 -18.497 3.924 440 1HG2 ILE 63 1HG2 ILE 63 -4.766 -16.375 4.757 441 2HG2 ILE 63 2HG2 ILE 63 -6.174 -15.538 5.402 442 3HG2 ILE 63 3HG2 ILE 63 -5.123 -16.464 6.495 443 1HD1 ILE 63 1HD1 ILE 63 -4.982 -19.662 6.730 444 2HD1 ILE 63 2HD1 ILE 63 -3.837 -20.012 5.422 445 3HD1 ILE 63 3HD1 ILE 63 -3.880 -18.395 6.136 446 H LYS 64 H LYS 64 -8.944 -17.939 8.426 447 HA LYS 64 HA LYS 64 -10.790 -15.982 7.463 448 1HB LYS 64 HB2 LYS 64 -11.278 -17.709 9.204 449 2HB LYS 64 HB3 LYS 64 -10.194 -16.870 10.316 450 1HG LYS 64 HG2 LYS 64 -12.547 -16.385 10.800 451 2HG LYS 64 HG3 LYS 64 -11.639 -14.929 10.407 452 1HD LYS 64 HD2 LYS 64 -13.873 -14.911 9.410 453 2HD LYS 64 HD3 LYS 64 -12.629 -14.840 8.165 454 1HE LYS 64 HE2 LYS 64 -12.950 -17.259 7.684 455 2HE LYS 64 HE3 LYS 64 -14.111 -17.381 9.021 456 1HZ LYS 64 HZ1 LYS 64 -15.182 -17.168 6.912 457 2HZ LYS 64 HZ2 LYS 64 -15.515 -15.852 7.844 458 3HZ LYS 64 HZ3 LYS 64 -14.428 -15.735 6.611 459 H ASP 65 H ASP 65 -7.901 -15.864 9.376 460 HA ASP 65 HA ASP 65 -7.881 -12.920 9.794 461 1HB ASP 65 HB2 ASP 65 -6.262 -13.542 11.562 462 2HB ASP 65 HB3 ASP 65 -7.860 -14.234 11.804 463 HA PRO 66 HA PRO 66 -4.878 -14.071 6.431 464 1HB PRO 66 HB2 PRO 66 -5.184 -11.915 4.751 465 2HB PRO 66 HB3 PRO 66 -6.304 -13.305 4.784 466 1HG PRO 66 HG2 PRO 66 -6.602 -10.679 6.272 467 2HG PRO 66 HG3 PRO 66 -7.803 -11.474 5.207 468 1HD PRO 66 HD2 PRO 66 -7.940 -11.806 7.865 469 2HD PRO 66 HD3 PRO 66 -8.162 -13.214 6.783 470 H CYS 67 H CYS 67 -2.827 -13.742 6.286 471 HA CYS 67 HA CYS 67 -1.416 -11.639 7.723 472 1HB CYS 67 HB2 CYS 67 -0.529 -13.930 7.493 473 2HB CYS 67 HB3 CYS 67 -0.544 -13.779 5.741 474 H ASN 68 H ASN 68 -2.343 -9.808 6.753 475 HA ASN 68 HA ASN 68 -2.790 -9.119 4.181 476 1HB ASN 68 HB2 ASN 68 -3.066 -7.731 6.314 477 2HB ASN 68 HB3 ASN 68 -1.414 -7.164 6.059 478 1HD2 ASN 68 1HD2 ASN 68 -2.862 -5.695 2.770 479 2HD2 ASN 68 2HD2 ASN 68 -1.818 -7.087 2.943 480 H LYS 69 H LYS 69 0.449 -9.097 5.711 481 HA LYS 69 HA LYS 69 1.992 -7.822 3.824 482 1HB LYS 69 HB2 LYS 69 2.778 -8.761 5.998 483 2HB LYS 69 HB3 LYS 69 2.779 -10.380 5.266 484 1HG LYS 69 HG2 LYS 69 4.416 -9.574 3.548 485 2HG LYS 69 HG3 LYS 69 4.391 -7.970 4.300 486 1HD LYS 69 HD2 LYS 69 5.283 -8.962 6.401 487 2HD LYS 69 HD3 LYS 69 5.282 -10.568 5.633 488 1HE LYS 69 HE2 LYS 69 6.857 -9.732 3.889 489 2HE LYS 69 HE3 LYS 69 6.865 -8.136 4.663 490 1HZ LYS 69 HZ1 LYS 69 8.745 -9.424 5.297 491 2HZ LYS 69 HZ2 LYS 69 7.790 -9.166 6.614 492 3HZ LYS 69 HZ3 LYS 69 7.799 -10.640 5.876 493 H CYS 70 H CYS 70 0.678 -11.140 3.609 494 HA CYS 70 HA CYS 70 1.642 -11.300 0.765 495 1HB CYS 70 HB2 CYS 70 1.918 -13.672 1.066 496 2HB CYS 70 HB3 CYS 70 2.876 -12.829 2.289 497 H HIS 71 H HIS 71 -0.919 -10.288 2.102 498 HA HIS 71 HA HIS 71 -3.167 -10.544 2.009 499 1HB HIS 71 HB2 HIS 71 -2.362 -9.902 -0.304 500 2HB HIS 71 HB3 HIS 71 -2.576 -11.582 -0.785 501 HD1 HIS 71 HD1 HIS 71 -5.376 -12.305 0.130 502 HD2 HIS 71 HD2 HIS 71 -4.305 -8.452 -1.167 503 HE1 HIS 71 HE1 HIS 71 -7.551 -11.143 -0.616 504 H GLY 72 H GLY 72 -1.985 -12.732 3.353 505 1HA GLY 72 HA2 GLY 72 -2.434 -14.804 4.096 506 2HA GLY 72 HA3 GLY 72 -4.074 -14.586 3.467 507 H HIS 73 H HIS 73 -1.466 -14.541 1.089 508 HA HIS 73 HA HIS 73 -2.465 -16.969 -0.163 509 1HB HIS 73 HB2 HIS 73 -0.049 -15.201 -0.739 510 2HB HIS 73 HB3 HIS 73 -0.540 -16.588 -1.708 511 HD1 HIS 73 HD1 HIS 73 -3.318 -14.247 -0.479 512 HD2 HIS 73 HD2 HIS 73 -0.928 -15.036 -3.858 513 HE1 HIS 73 HE1 HIS 73 -4.405 -13.049 -2.446 514 H GLY 74 H GLY 74 0.295 -16.069 1.819 515 1HA GLY 74 HA2 GLY 74 1.242 -17.696 3.366 516 2HA GLY 74 HA3 GLY 74 1.075 -18.955 2.142 517 H ARG 75 H ARG 75 2.049 -16.849 0.025 518 HA ARG 75 HA ARG 75 4.836 -16.492 0.821 519 1HB ARG 75 HB2 ARG 75 5.650 -17.772 -1.196 520 2HB ARG 75 HB3 ARG 75 4.953 -18.721 0.123 521 1HG ARG 75 HG2 ARG 75 2.831 -18.943 -1.180 522 2HG ARG 75 HG3 ARG 75 3.612 -18.070 -2.511 523 1HD ARG 75 HD2 ARG 75 3.742 -20.512 -2.841 524 2HD ARG 75 HD3 ARG 75 5.361 -19.869 -2.612 525 HE ARG 75 HE ARG 75 3.733 -21.406 -0.650 526 1HH1 ARG 75 1HH1 ARG 75 4.774 -22.462 0.999 527 2HH1 ARG 75 2HH1 ARG 75 6.485 -22.324 1.265 528 1HH2 ARG 75 1HH2 ARG 75 7.018 -20.175 -1.547 529 2HH2 ARG 75 2HH2 ARG 75 7.758 -21.083 -0.273 530 H VAL 76 H VAL 76 6.068 -15.272 -0.743 531 HA VAL 76 HA VAL 76 4.374 -13.458 -2.413 532 HB VAL 76 HB VAL 76 5.765 -11.589 -1.603 533 1HG1 VAL 76 1HG1 VAL 76 4.444 -13.078 0.689 534 2HG1 VAL 76 2HG1 VAL 76 4.691 -11.326 0.563 535 3HG1 VAL 76 3HG1 VAL 76 3.569 -12.140 -0.545 536 1HG2 VAL 76 1HG2 VAL 76 7.128 -11.804 0.438 537 2HG2 VAL 76 2HG2 VAL 76 6.884 -13.556 0.463 538 3HG2 VAL 76 3HG2 VAL 76 7.804 -12.795 -0.856 539 H GLU 77 H GLU 77 5.367 -12.659 -4.302 540 HA GLU 77 HA GLU 77 7.415 -14.371 -5.372 541 1HB GLU 77 HB2 GLU 77 5.575 -13.295 -6.704 542 2HB GLU 77 HB3 GLU 77 6.398 -11.734 -6.493 543 1HG GLU 77 HG2 GLU 77 8.412 -12.668 -7.621 544 2HG GLU 77 HG3 GLU 77 7.592 -14.224 -7.810 545 H ARG 78 H ARG 78 9.570 -14.028 -5.625 546 HA ARG 78 HA ARG 78 11.013 -12.258 -3.927 547 1HB ARG 78 HB2 ARG 78 11.772 -14.492 -4.739 548 2HB ARG 78 HB3 ARG 78 11.930 -13.825 -6.368 549 1HG ARG 78 HG2 ARG 78 13.704 -12.310 -5.603 550 2HG ARG 78 HG3 ARG 78 13.430 -12.760 -3.921 551 1HD ARG 78 HD2 ARG 78 15.438 -13.887 -5.018 552 2HD ARG 78 HD3 ARG 78 14.278 -14.952 -4.226 553 HE ARG 78 HE ARG 78 13.934 -16.014 -6.187 554 1HH1 ARG 78 1HH1 ARG 78 13.562 -16.268 -8.393 555 2HH1 ARG 78 2HH1 ARG 78 14.253 -15.161 -9.546 556 1HH2 ARG 78 1HH2 ARG 78 15.163 -12.811 -7.000 557 2HH2 ARG 78 2HH2 ARG 78 14.881 -12.987 -8.716 558 H SER 79 H SER 79 9.787 -10.351 -4.608 559 HA SER 79 HA SER 79 10.040 -9.088 -7.137 560 1HB SER 79 HB2 SER 79 9.454 -7.879 -4.401 561 2HB SER 79 HB3 SER 79 9.061 -7.171 -5.976 562 HG SER 79 HG SER 79 8.078 -9.688 -5.002 Start of MODEL 16 1 H GLY 1 H GLY 1 23.247 -12.479 -2.890 2 1HA GLY 1 HA2 GLY 1 25.332 -10.885 -2.917 3 2HA GLY 1 HA3 GLY 1 26.157 -12.366 -3.451 4 H VAL 2 H VAL 2 25.066 -13.546 -5.297 5 HA VAL 2 HA VAL 2 24.739 -11.914 -7.580 6 HB VAL 2 HB VAL 2 23.889 -13.927 -8.700 7 1HG1 VAL 2 1HG1 VAL 2 26.319 -13.593 -8.369 8 2HG1 VAL 2 2HG1 VAL 2 26.247 -14.538 -6.866 9 3HG1 VAL 2 3HG1 VAL 2 25.876 -15.306 -8.420 10 1HG2 VAL 2 1HG2 VAL 2 23.713 -16.076 -7.502 11 2HG2 VAL 2 2HG2 VAL 2 23.930 -15.256 -5.948 12 3HG2 VAL 2 3HG2 VAL 2 22.491 -14.934 -6.941 13 H THR 3 H THR 3 22.434 -12.990 -5.167 14 HA THR 3 HA THR 3 19.936 -12.563 -6.289 15 HB THR 3 HB THR 3 19.437 -11.932 -3.820 16 HG1 THR 3 HG1 THR 3 21.154 -12.301 -2.428 17 1HG2 THR 3 1HG2 THR 3 20.898 -14.550 -4.435 18 2HG2 THR 3 2HG2 THR 3 19.799 -14.259 -3.072 19 3HG2 THR 3 3HG2 THR 3 19.178 -14.227 -4.730 20 H LYS 4 H LYS 4 22.347 -10.151 -5.204 21 HA LYS 4 HA LYS 4 20.551 -7.895 -5.174 22 1HB LYS 4 HB2 LYS 4 23.556 -8.088 -5.615 23 2HB LYS 4 HB3 LYS 4 22.650 -6.594 -5.307 24 1HG LYS 4 HG2 LYS 4 22.078 -7.272 -3.081 25 2HG LYS 4 HG3 LYS 4 22.642 -8.926 -3.349 26 1HD LYS 4 HD2 LYS 4 24.220 -7.643 -1.997 27 2HD LYS 4 HD3 LYS 4 24.956 -8.234 -3.488 28 1HE LYS 4 HE2 LYS 4 23.825 -5.407 -3.323 29 2HE LYS 4 HE3 LYS 4 25.428 -5.788 -2.679 30 1HZ LYS 4 HZ1 LYS 4 24.625 -6.237 -5.465 31 2HZ LYS 4 HZ2 LYS 4 25.575 -5.020 -4.902 32 3HZ LYS 4 HZ3 LYS 4 26.090 -6.580 -4.804 33 H GLU 5 H GLU 5 22.348 -9.590 -7.702 34 HA GLU 5 HA GLU 5 21.910 -7.454 -9.667 35 1HB GLU 5 HB2 GLU 5 23.279 -10.120 -10.107 36 2HB GLU 5 HB3 GLU 5 23.416 -8.637 -11.059 37 1HG GLU 5 HG2 GLU 5 24.500 -9.157 -8.249 38 2HG GLU 5 HG3 GLU 5 25.421 -8.903 -9.730 39 H ILE 6 H ILE 6 21.269 -10.798 -9.357 40 HA ILE 6 HA ILE 6 19.354 -10.800 -11.607 41 HB ILE 6 HB ILE 6 18.938 -13.164 -11.065 42 1HG1 ILE 6 2HG1 ILE 6 21.384 -13.280 -9.340 43 2HG1 ILE 6 3HG1 ILE 6 19.876 -12.790 -8.554 44 1HG2 ILE 6 1HG2 ILE 6 21.835 -12.349 -11.517 45 2HG2 ILE 6 2HG2 ILE 6 21.126 -13.926 -11.916 46 3HG2 ILE 6 3HG2 ILE 6 20.565 -12.470 -12.751 47 1HD1 ILE 6 1HD1 ILE 6 20.271 -15.345 -10.162 48 2HD1 ILE 6 2HD1 ILE 6 20.221 -15.214 -8.392 49 3HD1 ILE 6 3HD1 ILE 6 18.771 -14.844 -9.346 50 H ARG 7 H ARG 7 18.153 -9.021 -10.608 51 HA ARG 7 HA ARG 7 16.352 -9.554 -8.389 52 1HB ARG 7 HB2 ARG 7 16.223 -7.394 -10.531 53 2HB ARG 7 HB3 ARG 7 15.300 -7.436 -9.029 54 1HG ARG 7 HG2 ARG 7 18.303 -7.054 -9.335 55 2HG ARG 7 HG3 ARG 7 17.111 -5.899 -8.739 56 1HD ARG 7 HD2 ARG 7 18.078 -8.436 -7.414 57 2HD ARG 7 HD3 ARG 7 18.333 -6.782 -6.856 58 HE ARG 7 HE ARG 7 15.658 -6.843 -6.819 59 1HH1 ARG 7 1HH1 ARG 7 14.337 -7.455 -5.009 60 2HH1 ARG 7 2HH1 ARG 7 14.830 -8.786 -4.020 61 1HH2 ARG 7 1HH2 ARG 7 17.979 -9.258 -5.557 62 2HH2 ARG 7 2HH2 ARG 7 16.958 -9.655 -4.198 63 H ILE 8 H ILE 8 15.905 -11.736 -9.607 64 HA ILE 8 HA ILE 8 13.740 -11.669 -11.555 65 HB ILE 8 HB ILE 8 15.016 -13.855 -9.852 66 1HG1 ILE 8 2HG1 ILE 8 15.304 -13.227 -12.829 67 2HG1 ILE 8 3HG1 ILE 8 16.484 -12.797 -11.588 68 1HG2 ILE 8 1HG2 ILE 8 13.119 -14.274 -12.197 69 2HG2 ILE 8 2HG2 ILE 8 13.875 -15.521 -11.189 70 3HG2 ILE 8 3HG2 ILE 8 12.661 -14.470 -10.488 71 1HD1 ILE 8 1HD1 ILE 8 15.738 -15.611 -12.441 72 2HD1 ILE 8 2HD1 ILE 8 17.277 -14.768 -12.649 73 3HD1 ILE 8 3HD1 ILE 8 16.742 -15.225 -11.021 74 HA PRO 9 HA PRO 9 10.691 -11.096 -8.260 75 1HB PRO 9 HB2 PRO 9 8.383 -11.893 -9.479 76 2HB PRO 9 HB3 PRO 9 9.249 -10.392 -9.906 77 1HG PRO 9 HG2 PRO 9 9.469 -13.085 -11.277 78 2HG PRO 9 HG3 PRO 9 9.146 -11.497 -12.039 79 1HD PRO 9 HD2 PRO 9 11.634 -12.527 -11.977 80 2HD PRO 9 HD3 PRO 9 11.395 -10.784 -11.677 81 H THR 10 H THR 10 11.945 -12.750 -7.157 82 HA THR 10 HA THR 10 11.129 -15.556 -7.274 83 HB THR 10 HB THR 10 13.131 -14.148 -5.459 84 HG1 THR 10 HG1 THR 10 13.647 -13.757 -7.608 85 1HG2 THR 10 1HG2 THR 10 14.196 -16.366 -5.381 86 2HG2 THR 10 2HG2 THR 10 12.533 -16.474 -4.778 87 3HG2 THR 10 3HG2 THR 10 12.923 -17.039 -6.418 88 H LEU 11 H LEU 11 9.107 -15.849 -6.370 89 HA LEU 11 HA LEU 11 8.306 -14.460 -3.922 90 1HB LEU 11 HB2 LEU 11 6.944 -16.730 -5.391 91 2HB LEU 11 HB3 LEU 11 6.277 -15.727 -4.089 92 HG LEU 11 HG LEU 11 6.974 -14.860 -6.921 93 1HD1 LEU 11 1HD1 LEU 11 4.378 -14.926 -5.322 94 2HD1 LEU 11 2HD1 LEU 11 4.546 -14.419 -7.019 95 3HD1 LEU 11 3HD1 LEU 11 4.852 -16.108 -6.561 96 1HD2 LEU 11 1HD2 LEU 11 6.110 -13.159 -4.538 97 2HD2 LEU 11 2HD2 LEU 11 7.588 -12.990 -5.518 98 3HD2 LEU 11 3HD2 LEU 11 6.017 -12.631 -6.234 99 H GLU 12 H GLU 12 8.889 -15.098 -1.970 100 HA GLU 12 HA GLU 12 9.703 -17.926 -1.440 101 1HB GLU 12 HB2 GLU 12 10.787 -15.320 -0.294 102 2HB GLU 12 HB3 GLU 12 11.280 -16.950 0.205 103 1HG GLU 12 HG2 GLU 12 11.988 -17.414 -2.175 104 2HG GLU 12 HG3 GLU 12 11.631 -15.724 -2.571 105 H GLU 13 H GLU 13 9.332 -18.668 0.690 106 HA GLU 13 HA GLU 13 6.763 -18.443 1.610 107 1HB GLU 13 HB2 GLU 13 8.487 -20.230 2.146 108 2HB GLU 13 HB3 GLU 13 9.177 -19.120 3.348 109 1HG GLU 13 HG2 GLU 13 6.883 -19.044 4.449 110 2HG GLU 13 HG3 GLU 13 6.365 -20.274 3.275 111 H CYS 14 H CYS 14 5.605 -17.046 2.861 112 HA CYS 14 HA CYS 14 6.883 -14.624 3.885 113 1HB CYS 14 HB2 CYS 14 4.604 -14.652 2.866 114 2HB CYS 14 HB3 CYS 14 4.061 -15.614 4.240 115 H ASP 15 H ASP 15 8.341 -15.421 5.397 116 HA ASP 15 HA ASP 15 8.005 -17.220 7.473 117 1HB ASP 15 HB2 ASP 15 9.840 -16.139 8.574 118 2HB ASP 15 HB3 ASP 15 10.144 -16.090 6.834 119 H VAL 16 H VAL 16 6.980 -13.841 7.350 120 HA VAL 16 HA VAL 16 6.241 -13.342 9.998 121 HB VAL 16 HB VAL 16 4.954 -12.384 7.409 122 1HG1 VAL 16 1HG1 VAL 16 3.467 -11.889 9.267 123 2HG1 VAL 16 2HG1 VAL 16 4.832 -11.203 10.197 124 3HG1 VAL 16 3HG1 VAL 16 4.254 -10.410 8.716 125 1HG2 VAL 16 1HG2 VAL 16 7.234 -11.301 9.124 126 2HG2 VAL 16 2HG2 VAL 16 7.329 -11.822 7.429 127 3HG2 VAL 16 3HG2 VAL 16 6.431 -10.366 7.857 128 H CYS 17 H CYS 17 4.539 -15.388 7.646 129 HA CYS 17 HA CYS 17 2.540 -16.072 9.798 130 1HB CYS 17 HB2 CYS 17 0.949 -16.534 8.046 131 2HB CYS 17 HB3 CYS 17 1.406 -14.830 8.103 132 H HIS 18 H HIS 18 5.289 -17.123 8.906 133 HA HIS 18 HA HIS 18 6.349 -19.008 8.321 134 1HB HIS 18 HB2 HIS 18 5.362 -19.384 10.633 135 2HB HIS 18 HB3 HIS 18 4.156 -20.425 9.869 136 HD1 HIS 18 HD1 HIS 18 5.806 -22.199 8.010 137 HD2 HIS 18 HD2 HIS 18 7.192 -20.840 11.739 138 HE1 HIS 18 HE1 HIS 18 7.698 -23.795 8.724 139 H GLY 19 H GLY 19 4.798 -18.139 6.210 140 1HA GLY 19 HA2 GLY 19 4.284 -18.941 4.122 141 2HA GLY 19 HA3 GLY 19 4.631 -20.582 4.671 142 H SER 20 H SER 20 2.267 -19.586 6.824 143 HA SER 20 HA SER 20 0.306 -21.221 5.421 144 1HB SER 20 HB2 SER 20 -1.145 -20.783 7.302 145 2HB SER 20 HB3 SER 20 0.461 -21.264 7.866 146 HG SER 20 HG SER 20 0.873 -19.157 8.457 147 H GLY 21 H GLY 21 0.084 -18.013 6.722 148 1HA GLY 21 HA2 GLY 21 -0.482 -16.110 4.998 149 2HA GLY 21 HA3 GLY 21 -1.887 -17.127 4.677 150 H ALA 22 H ALA 22 -1.307 -17.837 7.872 151 HA ALA 22 HA ALA 22 -3.448 -16.130 8.793 152 1HB ALA 22 HB1 ALA 22 -1.596 -18.027 10.281 153 2HB ALA 22 HB2 ALA 22 -3.145 -18.448 9.514 154 3HB ALA 22 HB3 ALA 22 -3.113 -17.334 10.888 155 H LYS 23 H LYS 23 -3.213 -14.144 9.731 156 HA LYS 23 HA LYS 23 -0.873 -12.708 9.664 157 1HB LYS 23 HB2 LYS 23 -2.036 -10.974 10.882 158 2HB LYS 23 HB3 LYS 23 -3.159 -11.790 9.810 159 1HG LYS 23 HG2 LYS 23 -4.041 -13.112 11.654 160 2HG LYS 23 HG3 LYS 23 -2.900 -12.410 12.793 161 1HD LYS 23 HD2 LYS 23 -4.640 -10.486 11.268 162 2HD LYS 23 HD3 LYS 23 -5.412 -11.497 12.494 163 1HE LYS 23 HE2 LYS 23 -4.703 -9.356 13.462 164 2HE LYS 23 HE3 LYS 23 -3.908 -10.735 14.236 165 1HZ LYS 23 HZ1 LYS 23 -2.399 -8.945 13.796 166 2HZ LYS 23 HZ2 LYS 23 -1.969 -10.288 12.945 167 3HZ LYS 23 HZ3 LYS 23 -2.702 -9.025 12.176 168 HA PRO 24 HA PRO 24 2.053 -13.430 12.773 169 1HB PRO 24 HB2 PRO 24 1.278 -10.713 13.896 170 2HB PRO 24 HB3 PRO 24 2.910 -11.453 13.829 171 1HG PRO 24 HG2 PRO 24 2.196 -9.782 11.842 172 2HG PRO 24 HG3 PRO 24 2.913 -11.373 11.439 173 1HD PRO 24 HD2 PRO 24 0.024 -10.559 11.381 174 2HD PRO 24 HD3 PRO 24 0.937 -11.539 10.194 175 H GLY 25 H GLY 25 2.097 -14.603 14.590 176 1HA GLY 25 HA2 GLY 25 1.469 -15.706 16.465 177 2HA GLY 25 HA3 GLY 25 0.954 -14.124 17.065 178 H THR 26 H THR 26 -0.748 -15.361 14.220 179 HA THR 26 HA THR 26 -3.020 -16.240 15.945 180 HB THR 26 HB THR 26 -3.222 -14.753 13.314 181 HG1 THR 26 HG1 THR 26 -2.169 -13.437 14.911 182 1HG2 THR 26 1HG2 THR 26 -5.185 -15.124 15.625 183 2HG2 THR 26 2HG2 THR 26 -5.500 -14.255 14.110 184 3HG2 THR 26 3HG2 THR 26 -5.242 -16.011 14.084 185 H GLN 27 H GLN 27 -4.050 -18.104 15.204 186 HA GLN 27 HA GLN 27 -2.585 -19.639 13.148 187 1HB GLN 27 HB2 GLN 27 -3.894 -21.535 13.986 188 2HB GLN 27 HB3 GLN 27 -2.978 -20.755 15.268 189 1HG GLN 27 HG2 GLN 27 -4.893 -19.918 16.319 190 2HG GLN 27 HG3 GLN 27 -5.885 -19.958 14.861 191 1HE2 GLN 27 1HE2 GLN 27 -6.670 -23.443 15.059 192 2HE2 GLN 27 2HE2 GLN 27 -6.359 -22.170 13.885 193 HA PRO 28 HA PRO 28 -6.004 -19.156 10.237 194 1HB PRO 28 HB2 PRO 28 -5.823 -21.342 8.709 195 2HB PRO 28 HB3 PRO 28 -4.542 -20.100 8.668 196 1HG PRO 28 HG2 PRO 28 -4.522 -22.669 10.284 197 2HG PRO 28 HG3 PRO 28 -3.234 -22.061 9.199 198 1HD PRO 28 HD2 PRO 28 -3.191 -21.667 11.888 199 2HD PRO 28 HD3 PRO 28 -2.607 -20.403 10.779 200 H GLN 29 H GLN 29 -8.078 -20.442 9.658 201 HA GLN 29 HA GLN 29 -8.961 -21.890 12.129 202 1HB GLN 29 HB2 GLN 29 -10.534 -20.643 9.858 203 2HB GLN 29 HB3 GLN 29 -11.215 -21.544 11.228 204 1HG GLN 29 HG2 GLN 29 -10.118 -19.929 12.802 205 2HG GLN 29 HG3 GLN 29 -9.538 -18.998 11.410 206 1HE2 GLN 29 1HE2 GLN 29 -12.487 -17.109 12.241 207 2HE2 GLN 29 2HE2 GLN 29 -10.774 -17.236 12.598 208 H THR 30 H THR 30 -8.884 -24.095 12.114 209 HA THR 30 HA THR 30 -8.193 -25.711 9.996 210 HB THR 30 HB THR 30 -10.144 -26.478 12.215 211 HG1 THR 30 HG1 THR 30 -7.334 -26.092 12.431 212 1HG2 THR 30 1HG2 THR 30 -7.785 -27.948 10.933 213 2HG2 THR 30 2HG2 THR 30 -8.798 -28.559 12.259 214 3HG2 THR 30 3HG2 THR 30 -9.510 -28.284 10.659 215 H CYS 31 H CYS 31 -9.300 -26.320 8.108 216 HA CYS 31 HA CYS 31 -11.887 -25.286 7.580 217 1HB CYS 31 HB2 CYS 31 -10.229 -25.860 5.847 218 2HB CYS 31 HB3 CYS 31 -10.453 -27.566 6.219 219 HA PRO 32 HA PRO 32 -13.868 -28.594 9.967 220 1HB PRO 32 HB2 PRO 32 -16.449 -27.766 9.955 221 2HB PRO 32 HB3 PRO 32 -15.157 -26.938 10.883 222 1HG PRO 32 HG2 PRO 32 -16.225 -26.159 8.151 223 2HG PRO 32 HG3 PRO 32 -16.023 -25.116 9.586 224 1HD PRO 32 HD2 PRO 32 -14.140 -25.259 7.621 225 2HD PRO 32 HD3 PRO 32 -13.687 -25.056 9.336 226 H THR 33 H THR 33 -15.020 -27.502 6.744 227 HA THR 33 HA THR 33 -16.696 -29.462 5.949 228 HB THR 33 HB THR 33 -14.491 -28.410 4.151 229 HG1 THR 33 HG1 THR 33 -16.698 -26.955 5.178 230 1HG2 THR 33 1HG2 THR 33 -16.247 -29.800 3.104 231 2HG2 THR 33 2HG2 THR 33 -17.501 -28.725 3.754 232 3HG2 THR 33 3HG2 THR 33 -16.341 -28.117 2.554 233 H CYS 34 H CYS 34 -13.155 -29.728 6.127 234 HA CYS 34 HA CYS 34 -13.311 -32.641 5.390 235 1HB CYS 34 HB2 CYS 34 -10.957 -32.347 4.658 236 2HB CYS 34 HB3 CYS 34 -12.138 -31.517 3.651 237 H HIS 35 H HIS 35 -13.356 -30.920 8.070 238 HA HIS 35 HA HIS 35 -12.434 -31.010 10.154 239 1HB HIS 35 HB2 HIS 35 -11.918 -33.921 9.413 240 2HB HIS 35 HB3 HIS 35 -12.008 -33.249 11.040 241 HD1 HIS 35 HD1 HIS 35 -14.857 -31.710 9.343 242 HD2 HIS 35 HD2 HIS 35 -13.868 -35.512 10.862 243 HE1 HIS 35 HE1 HIS 35 -17.050 -32.939 9.716 244 H GLY 36 H GLY 36 -10.681 -29.928 8.299 245 1HA GLY 36 HA2 GLY 36 -8.493 -29.258 8.195 246 2HA GLY 36 HA3 GLY 36 -8.126 -30.264 9.596 247 H SER 37 H SER 37 -9.380 -32.520 7.523 248 HA SER 37 HA SER 37 -6.871 -33.681 6.971 249 1HB SER 37 HB2 SER 37 -9.461 -34.370 5.540 250 2HB SER 37 HB3 SER 37 -8.094 -35.423 5.940 251 HG SER 37 HG SER 37 -10.076 -34.315 7.621 252 H GLY 38 H GLY 38 -8.491 -31.235 5.225 253 1HA GLY 38 HA2 GLY 38 -7.903 -30.097 3.302 254 2HA GLY 38 HA3 GLY 38 -6.476 -31.125 3.157 255 H GLN 39 H GLN 39 -9.264 -33.127 3.342 256 HA GLN 39 HA GLN 39 -9.866 -32.994 0.471 257 1HB GLN 39 HB2 GLN 39 -9.487 -35.441 0.244 258 2HB GLN 39 HB3 GLN 39 -8.009 -34.484 0.404 259 1HG GLN 39 HG2 GLN 39 -7.621 -35.237 2.638 260 2HG GLN 39 HG3 GLN 39 -9.284 -35.824 2.823 261 1HE2 GLN 39 1HE2 GLN 39 -7.031 -38.105 0.235 262 2HE2 GLN 39 2HE2 GLN 39 -6.961 -36.351 0.099 263 H VAL 40 H VAL 40 -11.665 -34.220 -0.128 264 HA VAL 40 HA VAL 40 -13.657 -34.754 2.043 265 HB VAL 40 HB VAL 40 -15.281 -34.204 0.121 266 1HG1 VAL 40 1HG1 VAL 40 -14.965 -32.744 2.045 267 2HG1 VAL 40 2HG1 VAL 40 -13.582 -31.952 1.251 268 3HG1 VAL 40 3HG1 VAL 40 -15.218 -31.801 0.563 269 1HG2 VAL 40 1HG2 VAL 40 -13.547 -34.209 -1.745 270 2HG2 VAL 40 2HG2 VAL 40 -14.547 -32.753 -1.673 271 3HG2 VAL 40 3HG2 VAL 40 -12.889 -32.710 -1.066 272 H GLN 41 H GLN 41 -14.775 -36.732 1.826 273 HA GLN 41 HA GLN 41 -14.149 -38.361 -0.565 274 1HB GLN 41 HB2 GLN 41 -12.783 -39.125 1.265 275 2HB GLN 41 HB3 GLN 41 -14.224 -39.482 2.237 276 1HG GLN 41 HG2 GLN 41 -14.913 -41.246 0.808 277 2HG GLN 41 HG3 GLN 41 -14.018 -40.630 -0.578 278 1HE2 GLN 41 1HE2 GLN 41 -12.077 -43.539 0.283 279 2HE2 GLN 41 2HE2 GLN 41 -13.599 -43.125 -0.496 280 H MET 42 H MET 42 -15.843 -38.664 -1.688 281 HA MET 42 HA MET 42 -18.541 -38.260 -0.650 282 1HB MET 42 HB2 MET 42 -17.493 -39.191 -3.351 283 2HB MET 42 HB3 MET 42 -19.173 -38.728 -2.991 284 1HG MET 42 HG2 MET 42 -18.302 -36.420 -2.415 285 2HG MET 42 HG3 MET 42 -16.691 -36.970 -2.893 286 1HE MET 42 HE1 MET 42 -20.274 -37.513 -4.615 287 2HE MET 42 HE2 MET 42 -20.199 -35.817 -4.072 288 3HE MET 42 HE3 MET 42 -20.172 -36.201 -5.808 289 H ARG 43 H ARG 43 -20.208 -40.001 -1.102 290 HA ARG 43 HA ARG 43 -19.141 -42.753 -0.646 291 1HB ARG 43 HB2 ARG 43 -20.946 -43.019 1.103 292 2HB ARG 43 HB3 ARG 43 -19.545 -42.043 1.513 293 1HG ARG 43 HG2 ARG 43 -21.537 -41.031 2.397 294 2HG ARG 43 HG3 ARG 43 -20.792 -39.958 1.216 295 1HD ARG 43 HD2 ARG 43 -22.495 -40.630 -0.466 296 2HD ARG 43 HD3 ARG 43 -23.180 -41.787 0.703 297 HE ARG 43 HE ARG 43 -23.126 -39.201 1.876 298 1HH1 ARG 43 1HH1 ARG 43 -25.028 -37.939 1.984 299 2HH1 ARG 43 2HH1 ARG 43 -26.375 -38.264 0.931 300 1HH2 ARG 43 1HH2 ARG 43 -26.227 -40.029 -0.626 301 2HH2 ARG 43 2HH2 ARG 43 -24.768 -40.981 -0.686 302 H GLN 44 H GLN 44 -19.862 -41.991 -3.127 303 HA GLN 44 HA GLN 44 -22.622 -42.879 -3.612 304 1HB GLN 44 HB2 GLN 44 -22.176 -42.616 -5.947 305 2HB GLN 44 HB3 GLN 44 -21.874 -41.143 -5.034 306 1HG GLN 44 HG2 GLN 44 -19.619 -42.982 -5.888 307 2HG GLN 44 HG3 GLN 44 -20.294 -41.775 -6.964 308 1HE2 GLN 44 1HE2 GLN 44 -18.444 -39.116 -5.582 309 2HE2 GLN 44 2HE2 GLN 44 -19.469 -39.689 -6.885 310 H GLY 45 H GLY 45 -22.015 -44.716 -2.225 311 1HA GLY 45 HA2 GLY 45 -21.460 -46.889 -1.806 312 2HA GLY 45 HA3 GLY 45 -22.405 -47.140 -3.276 313 H PHE 46 H PHE 46 -21.407 -47.939 -5.038 314 HA PHE 46 HA PHE 46 -19.115 -49.420 -4.953 315 1HB PHE 46 HB2 PHE 46 -20.147 -48.025 -7.443 316 2HB PHE 46 HB3 PHE 46 -19.264 -49.537 -7.365 317 HD1 PHE 46 HD1 PHE 46 -20.406 -51.477 -5.951 318 HD2 PHE 46 HD2 PHE 46 -22.519 -48.068 -7.549 319 HE1 PHE 46 HE1 PHE 46 -22.554 -52.698 -5.732 320 HE2 PHE 46 HE2 PHE 46 -24.659 -49.294 -7.322 321 HZ PHE 46 HZ PHE 46 -24.682 -51.609 -6.414 322 H PHE 47 H PHE 47 -19.313 -45.942 -5.780 323 HA PHE 47 HA PHE 47 -16.317 -45.954 -6.152 324 1HB PHE 47 HB2 PHE 47 -18.258 -44.132 -7.571 325 2HB PHE 47 HB3 PHE 47 -16.556 -44.398 -7.917 326 HD1 PHE 47 HD1 PHE 47 -19.795 -45.082 -9.060 327 HD2 PHE 47 HD2 PHE 47 -16.054 -47.111 -8.334 328 HE1 PHE 47 HE1 PHE 47 -20.492 -46.918 -10.566 329 HE2 PHE 47 HE2 PHE 47 -16.766 -48.948 -9.831 330 HZ PHE 47 HZ PHE 47 -18.989 -48.863 -10.944 331 H ALA 48 H ALA 48 -16.987 -45.648 -3.645 332 HA ALA 48 HA ALA 48 -17.613 -42.953 -2.817 333 1HB ALA 48 HB1 ALA 48 -18.019 -44.909 -1.402 334 2HB ALA 48 HB2 ALA 48 -16.281 -45.272 -1.360 335 3HB ALA 48 HB3 ALA 48 -16.894 -43.793 -0.597 336 H VAL 49 H VAL 49 -16.019 -42.095 -4.523 337 HA VAL 49 HA VAL 49 -13.179 -42.198 -3.818 338 HB VAL 49 HB VAL 49 -12.860 -40.789 -5.822 339 1HG1 VAL 49 1HG1 VAL 49 -14.588 -43.253 -6.223 340 2HG1 VAL 49 2HG1 VAL 49 -13.451 -42.548 -7.396 341 3HG1 VAL 49 3HG1 VAL 49 -12.849 -43.227 -5.867 342 1HG2 VAL 49 1HG2 VAL 49 -15.879 -40.999 -6.234 343 2HG2 VAL 49 2HG2 VAL 49 -15.004 -39.522 -5.784 344 3HG2 VAL 49 3HG2 VAL 49 -14.687 -40.303 -7.341 345 H GLN 50 H GLN 50 -11.857 -40.180 -3.897 346 HA GLN 50 HA GLN 50 -13.121 -38.043 -2.316 347 1HB GLN 50 HB2 GLN 50 -11.337 -38.152 -0.684 348 2HB GLN 50 HB3 GLN 50 -11.755 -39.840 -1.024 349 1HG GLN 50 HG2 GLN 50 -9.836 -39.898 -2.662 350 2HG GLN 50 HG3 GLN 50 -9.464 -38.226 -2.187 351 1HE2 GLN 50 1HE2 GLN 50 -8.881 -40.559 1.083 352 2HE2 GLN 50 2HE2 GLN 50 -10.500 -40.458 0.457 353 H GLN 51 H GLN 51 -12.030 -36.019 -2.281 354 HA GLN 51 HA GLN 51 -10.161 -35.502 -4.513 355 1HB GLN 51 HB2 GLN 51 -12.601 -33.728 -4.173 356 2HB GLN 51 HB3 GLN 51 -11.438 -33.791 -5.490 357 1HG GLN 51 HG2 GLN 51 -13.307 -34.750 -6.453 358 2HG GLN 51 HG3 GLN 51 -12.386 -36.174 -5.982 359 1HE2 GLN 51 1HE2 GLN 51 -15.806 -35.107 -3.843 360 2HE2 GLN 51 2HE2 GLN 51 -14.804 -33.862 -4.563 361 H THR 52 H THR 52 -9.219 -33.295 -4.312 362 HA THR 52 HA THR 52 -8.441 -32.619 -1.686 363 HB THR 52 HB THR 52 -8.468 -30.869 -4.193 364 HG1 THR 52 HG1 THR 52 -6.459 -31.932 -4.619 365 1HG2 THR 52 1HG2 THR 52 -6.330 -30.011 -3.240 366 2HG2 THR 52 2HG2 THR 52 -7.706 -29.727 -2.160 367 3HG2 THR 52 3HG2 THR 52 -6.566 -31.053 -1.817 368 H CYS 53 H CYS 53 -9.255 -30.962 -0.256 369 HA CYS 53 HA CYS 53 -12.024 -30.241 -0.648 370 1HB CYS 53 HB2 CYS 53 -11.101 -30.657 1.573 371 2HB CYS 53 HB3 CYS 53 -10.025 -29.265 1.392 372 HA PRO 54 HA PRO 54 -10.724 -26.601 -3.060 373 1HB PRO 54 HB2 PRO 54 -13.168 -25.570 -3.729 374 2HB PRO 54 HB3 PRO 54 -12.478 -27.035 -4.486 375 1HG PRO 54 HG2 PRO 54 -14.487 -26.906 -2.223 376 2HG PRO 54 HG3 PRO 54 -14.553 -27.906 -3.699 377 1HD PRO 54 HD2 PRO 54 -13.643 -28.889 -1.331 378 2HD PRO 54 HD3 PRO 54 -12.921 -29.394 -2.886 379 H HIS 55 H HIS 55 -13.219 -26.402 -0.511 380 HA HIS 55 HA HIS 55 -13.378 -23.740 0.002 381 1HB HIS 55 HB2 HIS 55 -14.644 -25.584 1.098 382 2HB HIS 55 HB3 HIS 55 -13.228 -25.944 2.090 383 HD1 HIS 55 HD1 HIS 55 -15.008 -25.510 4.152 384 HD2 HIS 55 HD2 HIS 55 -13.979 -22.200 1.749 385 HE1 HIS 55 HE1 HIS 55 -15.698 -23.419 5.433 386 H CYS 56 H CYS 56 -10.712 -25.855 1.056 387 HA CYS 56 HA CYS 56 -9.183 -23.436 1.981 388 1HB CYS 56 HB2 CYS 56 -8.025 -24.951 3.528 389 2HB CYS 56 HB3 CYS 56 -9.744 -24.815 3.874 390 H GLN 57 H GLN 57 -9.390 -24.830 -0.743 391 HA GLN 57 HA GLN 57 -8.022 -25.641 -2.389 392 1HB GLN 57 HB2 GLN 57 -6.144 -23.647 -1.048 393 2HB GLN 57 HB3 GLN 57 -5.980 -24.246 -2.703 394 1HG GLN 57 HG2 GLN 57 -8.387 -22.649 -1.698 395 2HG GLN 57 HG3 GLN 57 -6.988 -21.981 -2.535 396 1HE2 GLN 57 1HE2 GLN 57 -9.850 -23.894 -4.715 397 2HE2 GLN 57 2HE2 GLN 57 -9.961 -23.845 -2.959 398 H GLY 58 H GLY 58 -8.055 -27.477 -0.345 399 1HA GLY 58 HA2 GLY 58 -6.964 -29.393 0.249 400 2HA GLY 58 HA3 GLY 58 -5.654 -28.965 -0.857 401 H ARG 59 H ARG 59 -5.703 -26.346 1.201 402 HA ARG 59 HA ARG 59 -3.355 -27.346 2.596 403 1HB ARG 59 HB2 ARG 59 -4.777 -24.681 2.920 404 2HB ARG 59 HB3 ARG 59 -3.125 -25.097 3.397 405 1HG ARG 59 HG2 ARG 59 -2.642 -25.569 0.918 406 2HG ARG 59 HG3 ARG 59 -4.237 -24.883 0.567 407 1HD ARG 59 HD2 ARG 59 -2.701 -23.111 0.261 408 2HD ARG 59 HD3 ARG 59 -3.544 -22.797 1.794 409 HE ARG 59 HE ARG 59 -1.069 -24.291 2.134 410 1HH1 ARG 59 1HH1 ARG 59 0.739 -23.242 3.071 411 2HH1 ARG 59 2HH1 ARG 59 0.821 -21.501 3.164 412 1HH2 ARG 59 1HH2 ARG 59 -2.347 -21.024 1.632 413 2HH2 ARG 59 2HH2 ARG 59 -1.101 -20.262 2.589 414 H GLY 60 H GLY 60 -6.586 -27.762 3.295 415 1HA GLY 60 HA2 GLY 60 -7.706 -28.499 5.174 416 2HA GLY 60 HA3 GLY 60 -6.137 -28.692 5.950 417 H THR 61 H THR 61 -5.982 -25.512 5.215 418 HA THR 61 HA THR 61 -7.274 -24.595 7.726 419 HB THR 61 HB THR 61 -5.136 -23.055 7.568 420 HG1 THR 61 HG1 THR 61 -4.207 -25.362 6.184 421 1HG2 THR 61 1HG2 THR 61 -4.969 -25.984 8.404 422 2HG2 THR 61 2HG2 THR 61 -3.865 -24.690 8.917 423 3HG2 THR 61 3HG2 THR 61 -5.572 -24.637 9.399 424 H LEU 62 H LEU 62 -8.430 -22.790 7.621 425 HA LEU 62 HA LEU 62 -8.756 -21.402 5.024 426 1HB LEU 62 HB2 LEU 62 -10.359 -21.309 7.605 427 2HB LEU 62 HB3 LEU 62 -10.747 -20.440 6.117 428 HG LEU 62 HG LEU 62 -10.592 -23.476 6.252 429 1HD1 LEU 62 1HD1 LEU 62 -12.309 -22.657 7.819 430 2HD1 LEU 62 2HD1 LEU 62 -13.005 -21.637 6.543 431 3HD1 LEU 62 3HD1 LEU 62 -13.058 -23.406 6.395 432 1HD2 LEU 62 1HD2 LEU 62 -11.939 -23.315 4.184 433 2HD2 LEU 62 2HD2 LEU 62 -11.897 -21.540 4.274 434 3HD2 LEU 62 3HD2 LEU 62 -10.410 -22.456 3.971 435 H ILE 63 H ILE 63 -7.670 -19.595 4.745 436 HA ILE 63 HA ILE 63 -6.300 -18.199 6.906 437 HB ILE 63 HB ILE 63 -6.583 -17.523 3.946 438 1HG1 ILE 63 2HG1 ILE 63 -5.573 -19.764 4.169 439 2HG1 ILE 63 3HG1 ILE 63 -4.440 -18.563 3.566 440 1HG2 ILE 63 1HG2 ILE 63 -4.808 -16.475 6.168 441 2HG2 ILE 63 2HG2 ILE 63 -4.306 -16.396 4.467 442 3HG2 ILE 63 3HG2 ILE 63 -5.773 -15.575 4.984 443 1HD1 ILE 63 1HD1 ILE 63 -4.555 -19.632 6.409 444 2HD1 ILE 63 2HD1 ILE 63 -3.334 -19.989 5.176 445 3HD1 ILE 63 3HD1 ILE 63 -3.455 -18.354 5.845 446 H LYS 64 H LYS 64 -8.609 -18.047 7.901 447 HA LYS 64 HA LYS 64 -10.378 -16.029 6.841 448 1HB LYS 64 HB2 LYS 64 -10.119 -17.289 9.587 449 2HB LYS 64 HB3 LYS 64 -11.395 -16.138 9.175 450 1HG LYS 64 HG2 LYS 64 -10.924 -18.710 7.611 451 2HG LYS 64 HG3 LYS 64 -12.018 -18.595 8.987 452 1HD LYS 64 HD2 LYS 64 -13.344 -16.853 7.861 453 2HD LYS 64 HD3 LYS 64 -12.306 -16.962 6.426 454 1HE LYS 64 HE2 LYS 64 -12.915 -19.319 6.115 455 2HE LYS 64 HE3 LYS 64 -13.924 -19.276 7.578 456 1HZ LYS 64 HZ1 LYS 64 -15.284 -17.637 6.503 457 2HZ LYS 64 HZ2 LYS 64 -14.338 -17.674 5.152 458 3HZ LYS 64 HZ3 LYS 64 -15.200 -19.007 5.591 459 H ASP 65 H ASP 65 -7.519 -15.951 8.825 460 HA ASP 65 HA ASP 65 -7.757 -13.043 9.439 461 1HB ASP 65 HB2 ASP 65 -6.215 -13.535 11.228 462 2HB ASP 65 HB3 ASP 65 -7.640 -14.561 11.357 463 HA PRO 66 HA PRO 66 -4.683 -13.862 6.019 464 1HB PRO 66 HB2 PRO 66 -5.126 -11.618 4.467 465 2HB PRO 66 HB3 PRO 66 -6.059 -13.138 4.364 466 1HG PRO 66 HG2 PRO 66 -6.753 -10.662 5.969 467 2HG PRO 66 HG3 PRO 66 -7.803 -11.553 4.823 468 1HD PRO 66 HD2 PRO 66 -7.992 -12.027 7.450 469 2HD PRO 66 HD3 PRO 66 -7.973 -13.410 6.310 470 H CYS 67 H CYS 67 -2.657 -13.468 6.181 471 HA CYS 67 HA CYS 67 -1.430 -11.370 7.740 472 1HB CYS 67 HB2 CYS 67 -0.431 -13.597 7.491 473 2HB CYS 67 HB3 CYS 67 -0.406 -13.421 5.746 474 H ASN 68 H ASN 68 -2.194 -9.477 6.864 475 HA ASN 68 HA ASN 68 -2.626 -8.533 4.404 476 1HB ASN 68 HB2 ASN 68 -2.103 -6.311 5.155 477 2HB ASN 68 HB3 ASN 68 -2.892 -7.211 6.455 478 1HD2 ASN 68 1HD2 ASN 68 0.125 -5.244 7.717 479 2HD2 ASN 68 2HD2 ASN 68 -1.230 -4.783 6.703 480 H LYS 69 H LYS 69 0.663 -8.613 5.801 481 HA LYS 69 HA LYS 69 2.175 -7.426 3.863 482 1HB LYS 69 HB2 LYS 69 2.951 -8.412 6.033 483 2HB LYS 69 HB3 LYS 69 2.932 -10.013 5.267 484 1HG LYS 69 HG2 LYS 69 4.581 -9.175 3.567 485 2HG LYS 69 HG3 LYS 69 4.579 -7.600 4.379 486 1HD LYS 69 HD2 LYS 69 5.461 -8.638 6.438 487 2HD LYS 69 HD3 LYS 69 5.325 -10.247 5.704 488 1HE LYS 69 HE2 LYS 69 7.651 -9.490 5.636 489 2HE LYS 69 HE3 LYS 69 7.008 -9.651 3.995 490 1HZ LYS 69 HZ1 LYS 69 6.686 -7.287 3.954 491 2HZ LYS 69 HZ2 LYS 69 7.252 -7.135 5.496 492 3HZ LYS 69 HZ3 LYS 69 8.257 -7.643 4.293 493 H CYS 70 H CYS 70 0.784 -10.710 3.642 494 HA CYS 70 HA CYS 70 1.722 -10.890 0.786 495 1HB CYS 70 HB2 CYS 70 1.853 -13.284 1.086 496 2HB CYS 70 HB3 CYS 70 2.900 -12.487 2.257 497 H HIS 71 H HIS 71 -0.869 -9.937 2.322 498 HA HIS 71 HA HIS 71 -3.105 -10.191 2.234 499 1HB HIS 71 HB2 HIS 71 -2.380 -9.425 -0.088 500 2HB HIS 71 HB3 HIS 71 -2.640 -11.084 -0.632 501 HD1 HIS 71 HD1 HIS 71 -5.339 -11.901 0.198 502 HD2 HIS 71 HD2 HIS 71 -4.404 -7.865 -0.507 503 HE1 HIS 71 HE1 HIS 71 -7.572 -10.690 -0.255 504 H GLY 72 H GLY 72 -1.808 -12.465 3.381 505 1HA GLY 72 HA2 GLY 72 -2.357 -14.542 4.092 506 2HA GLY 72 HA3 GLY 72 -3.928 -14.367 3.301 507 H HIS 73 H HIS 73 -1.400 -14.035 0.946 508 HA HIS 73 HA HIS 73 -2.097 -16.480 -0.336 509 1HB HIS 73 HB2 HIS 73 -1.269 -14.457 -1.479 510 2HB HIS 73 HB3 HIS 73 0.306 -14.640 -0.698 511 HD1 HIS 73 HD1 HIS 73 -0.323 -18.054 -1.560 512 HD2 HIS 73 HD2 HIS 73 0.593 -14.512 -3.636 513 HE1 HIS 73 HE1 HIS 73 0.673 -18.763 -3.808 514 H GLY 74 H GLY 74 0.656 -15.481 1.625 515 1HA GLY 74 HA2 GLY 74 1.685 -16.999 3.212 516 2HA GLY 74 HA3 GLY 74 1.465 -18.333 2.084 517 H ARG 75 H ARG 75 2.523 -15.615 0.259 518 HA ARG 75 HA ARG 75 5.359 -16.035 0.851 519 1HB ARG 75 HB2 ARG 75 5.933 -16.676 -1.421 520 2HB ARG 75 HB3 ARG 75 4.867 -17.867 -0.671 521 1HG ARG 75 HG2 ARG 75 2.930 -16.660 -1.900 522 2HG ARG 75 HG3 ARG 75 4.187 -15.822 -2.819 523 1HD ARG 75 HD2 ARG 75 3.625 -18.811 -2.658 524 2HD ARG 75 HD3 ARG 75 3.466 -17.750 -4.077 525 HE ARG 75 HE ARG 75 6.166 -17.677 -3.176 526 1HH1 ARG 75 1HH1 ARG 75 7.803 -18.853 -4.247 527 2HH1 ARG 75 2HH1 ARG 75 7.390 -20.249 -5.206 528 1HH2 ARG 75 1HH2 ARG 75 3.900 -19.928 -4.661 529 2HH2 ARG 75 2HH2 ARG 75 5.131 -20.866 -5.463 530 H VAL 76 H VAL 76 6.762 -14.508 -0.143 531 HA VAL 76 HA VAL 76 5.502 -12.050 -1.232 532 HB VAL 76 HB VAL 76 6.908 -10.692 0.286 533 1HG1 VAL 76 1HG1 VAL 76 4.541 -11.188 0.876 534 2HG1 VAL 76 2HG1 VAL 76 5.112 -12.567 1.851 535 3HG1 VAL 76 3HG1 VAL 76 5.573 -10.917 2.295 536 1HG2 VAL 76 1HG2 VAL 76 7.529 -13.315 1.730 537 2HG2 VAL 76 2HG2 VAL 76 8.693 -12.308 0.843 538 3HG2 VAL 76 3HG2 VAL 76 7.924 -11.687 2.306 539 H GLU 77 H GLU 77 7.067 -10.687 -2.366 540 HA GLU 77 HA GLU 77 8.976 -12.288 -3.818 541 1HB GLU 77 HB2 GLU 77 7.585 -10.261 -4.626 542 2HB GLU 77 HB3 GLU 77 8.844 -9.262 -3.889 543 1HG GLU 77 HG2 GLU 77 9.245 -11.401 -6.052 544 2HG GLU 77 HG3 GLU 77 9.138 -9.664 -6.342 545 H ARG 78 H ARG 78 11.165 -12.336 -3.660 546 HA ARG 78 HA ARG 78 12.492 -11.952 -1.197 547 1HB ARG 78 HB2 ARG 78 12.972 -13.599 -3.021 548 2HB ARG 78 HB3 ARG 78 13.552 -12.265 -4.014 549 1HG ARG 78 HG2 ARG 78 15.296 -11.905 -2.027 550 2HG ARG 78 HG3 ARG 78 14.790 -13.516 -1.529 551 1HD ARG 78 HD2 ARG 78 16.748 -13.688 -2.982 552 2HD ARG 78 HD3 ARG 78 15.335 -14.339 -3.839 553 HE ARG 78 HE ARG 78 15.727 -11.506 -4.318 554 1HH1 ARG 78 1HH1 ARG 78 16.337 -10.791 -6.369 555 2HH1 ARG 78 2HH1 ARG 78 17.026 -11.881 -7.542 556 1HH2 ARG 78 1HH2 ARG 78 16.695 -14.723 -5.441 557 2HH2 ARG 78 2HH2 ARG 78 17.121 -14.169 -7.039 558 H SER 79 H SER 79 11.708 -9.541 -1.032 559 HA SER 79 HA SER 79 14.040 -7.796 -1.597 560 1HB SER 79 HB2 SER 79 11.144 -7.132 -2.320 561 2HB SER 79 HB3 SER 79 12.431 -5.924 -2.149 562 HG SER 79 HG SER 79 12.299 -8.036 -4.023 Start of MODEL 17 1 H GLY 1 H GLY 1 22.834 -18.227 -17.358 2 1HA GLY 1 HA2 GLY 1 20.530 -18.023 -16.932 3 2HA GLY 1 HA3 GLY 1 20.181 -18.574 -18.582 4 H VAL 2 H VAL 2 22.436 -20.168 -16.362 5 HA VAL 2 HA VAL 2 21.177 -22.721 -16.800 6 HB VAL 2 HB VAL 2 22.897 -23.629 -15.345 7 1HG1 VAL 2 1HG1 VAL 2 23.436 -23.079 -17.703 8 2HG1 VAL 2 2HG1 VAL 2 24.060 -21.499 -17.188 9 3HG1 VAL 2 3HG1 VAL 2 24.848 -22.987 -16.637 10 1HG2 VAL 2 1HG2 VAL 2 22.997 -21.895 -13.599 11 2HG2 VAL 2 2HG2 VAL 2 24.596 -22.212 -14.285 12 3HG2 VAL 2 3HG2 VAL 2 23.716 -20.750 -14.751 13 H THR 3 H THR 3 20.676 -24.249 -14.951 14 HA THR 3 HA THR 3 18.426 -23.287 -13.468 15 HB THR 3 HB THR 3 18.489 -25.713 -12.686 16 HG1 THR 3 HG1 THR 3 20.714 -25.991 -12.843 17 1HG2 THR 3 1HG2 THR 3 17.249 -25.051 -14.734 18 2HG2 THR 3 2HG2 THR 3 18.721 -25.272 -15.705 19 3HG2 THR 3 3HG2 THR 3 17.978 -26.660 -14.892 20 H LYS 4 H LYS 4 19.836 -21.662 -12.501 21 HA LYS 4 HA LYS 4 20.285 -22.073 -9.670 22 1HB LYS 4 HB2 LYS 4 22.633 -21.183 -11.421 23 2HB LYS 4 HB3 LYS 4 22.552 -21.090 -9.659 24 1HG LYS 4 HG2 LYS 4 22.223 -23.625 -9.648 25 2HG LYS 4 HG3 LYS 4 22.701 -23.612 -11.352 26 1HD LYS 4 HD2 LYS 4 24.373 -22.552 -9.025 27 2HD LYS 4 HD3 LYS 4 24.579 -24.121 -9.816 28 1HE LYS 4 HE2 LYS 4 25.063 -22.973 -11.975 29 2HE LYS 4 HE3 LYS 4 24.926 -21.399 -11.165 30 1HZ LYS 4 HZ1 LYS 4 27.178 -22.103 -11.339 31 2HZ LYS 4 HZ2 LYS 4 26.734 -22.034 -9.754 32 3HZ LYS 4 HZ3 LYS 4 26.870 -23.493 -10.510 33 H GLU 5 H GLU 5 20.622 -20.105 -12.640 34 HA GLU 5 HA GLU 5 20.239 -17.540 -11.349 35 1HB GLU 5 HB2 GLU 5 20.054 -18.474 -14.247 36 2HB GLU 5 HB3 GLU 5 20.014 -16.787 -13.716 37 1HG GLU 5 HG2 GLU 5 22.279 -16.990 -12.776 38 2HG GLU 5 HG3 GLU 5 22.337 -18.712 -13.178 39 H ILE 6 H ILE 6 18.385 -18.189 -10.060 40 HA ILE 6 HA ILE 6 15.854 -18.899 -11.266 41 HB ILE 6 HB ILE 6 14.964 -18.396 -8.963 42 1HG1 ILE 6 2HG1 ILE 6 17.879 -18.162 -8.099 43 2HG1 ILE 6 3HG1 ILE 6 16.903 -16.726 -8.428 44 1HG2 ILE 6 1HG2 ILE 6 15.987 -20.405 -7.992 45 2HG2 ILE 6 2HG2 ILE 6 15.662 -20.634 -9.712 46 3HG2 ILE 6 3HG2 ILE 6 17.317 -20.319 -9.162 47 1HD1 ILE 6 1HD1 ILE 6 15.260 -17.426 -6.732 48 2HD1 ILE 6 2HD1 ILE 6 16.250 -18.856 -6.353 49 3HD1 ILE 6 3HD1 ILE 6 16.886 -17.230 -6.055 50 H ARG 7 H ARG 7 16.265 -17.044 -12.909 51 HA ARG 7 HA ARG 7 15.685 -14.354 -12.285 52 1HB ARG 7 HB2 ARG 7 15.129 -16.026 -14.760 53 2HB ARG 7 HB3 ARG 7 14.839 -14.287 -14.716 54 1HG ARG 7 HG2 ARG 7 17.025 -13.723 -14.851 55 2HG ARG 7 HG3 ARG 7 17.572 -15.046 -13.813 56 1HD ARG 7 HD2 ARG 7 16.627 -15.459 -16.681 57 2HD ARG 7 HD3 ARG 7 18.328 -15.234 -16.213 58 HE ARG 7 HE ARG 7 17.485 -17.222 -14.525 59 1HH1 ARG 7 1HH1 ARG 7 17.846 -19.319 -14.776 60 2HH1 ARG 7 2HH1 ARG 7 18.190 -20.033 -16.354 61 1HH2 ARG 7 1HH2 ARG 7 17.563 -16.965 -18.059 62 2HH2 ARG 7 2HH2 ARG 7 17.845 -18.677 -18.270 63 H ILE 8 H ILE 8 13.614 -17.012 -12.805 64 HA ILE 8 HA ILE 8 11.132 -15.797 -13.112 65 HB ILE 8 HB ILE 8 10.126 -17.904 -12.266 66 1HG1 ILE 8 2HG1 ILE 8 13.010 -18.697 -11.649 67 2HG1 ILE 8 3HG1 ILE 8 11.719 -18.423 -10.470 68 1HG2 ILE 8 1HG2 ILE 8 10.964 -17.580 -14.615 69 2HG2 ILE 8 2HG2 ILE 8 12.478 -18.382 -14.148 70 3HG2 ILE 8 3HG2 ILE 8 10.936 -19.263 -14.095 71 1HD1 ILE 8 1HD1 ILE 8 10.414 -20.293 -11.497 72 2HD1 ILE 8 2HD1 ILE 8 11.824 -20.657 -12.524 73 3HD1 ILE 8 3HD1 ILE 8 11.955 -20.781 -10.765 74 HA PRO 9 HA PRO 9 10.415 -13.766 -9.238 75 1HB PRO 9 HB2 PRO 9 7.674 -13.573 -9.204 76 2HB PRO 9 HB3 PRO 9 8.731 -12.609 -10.271 77 1HG PRO 9 HG2 PRO 9 7.279 -15.188 -10.921 78 2HG PRO 9 HG3 PRO 9 7.288 -13.672 -11.872 79 1HD PRO 9 HD2 PRO 9 8.927 -15.718 -12.500 80 2HD PRO 9 HD3 PRO 9 9.544 -14.038 -12.568 81 H THR 10 H THR 10 11.312 -15.493 -8.081 82 HA THR 10 HA THR 10 10.143 -17.875 -7.399 83 HB THR 10 HB THR 10 12.044 -16.520 -5.492 84 HG1 THR 10 HG1 THR 10 12.556 -16.885 -8.265 85 1HG2 THR 10 1HG2 THR 10 13.279 -18.626 -5.753 86 2HG2 THR 10 2HG2 THR 10 11.583 -18.966 -5.362 87 3HG2 THR 10 3HG2 THR 10 12.169 -19.156 -7.033 88 H LEU 11 H LEU 11 8.799 -18.615 -5.762 89 HA LEU 11 HA LEU 11 7.453 -16.592 -4.078 90 1HB LEU 11 HB2 LEU 11 6.940 -19.572 -4.368 91 2HB LEU 11 HB3 LEU 11 5.951 -18.393 -3.501 92 HG LEU 11 HG LEU 11 6.407 -18.561 -6.511 93 1HD1 LEU 11 1HD1 LEU 11 4.777 -20.146 -5.506 94 2HD1 LEU 11 2HD1 LEU 11 3.893 -18.771 -4.803 95 3HD1 LEU 11 3HD1 LEU 11 3.992 -18.958 -6.567 96 1HD2 LEU 11 1HD2 LEU 11 4.983 -16.396 -4.896 97 2HD2 LEU 11 2HD2 LEU 11 6.340 -16.209 -6.037 98 3HD2 LEU 11 3HD2 LEU 11 4.746 -16.657 -6.639 99 H GLU 12 H GLU 12 8.047 -16.236 -2.033 100 HA GLU 12 HA GLU 12 9.939 -18.133 -0.689 101 1HB GLU 12 HB2 GLU 12 9.563 -15.149 -0.288 102 2HB GLU 12 HB3 GLU 12 10.760 -16.183 0.505 103 1HG GLU 12 HG2 GLU 12 11.782 -16.670 -1.723 104 2HG GLU 12 HG3 GLU 12 10.595 -15.612 -2.503 105 H GLU 13 H GLU 13 9.137 -19.167 1.034 106 HA GLU 13 HA GLU 13 6.515 -19.062 1.912 107 1HB GLU 13 HB2 GLU 13 8.278 -20.880 2.340 108 2HB GLU 13 HB3 GLU 13 8.901 -19.844 3.632 109 1HG GLU 13 HG2 GLU 13 7.507 -21.324 4.768 110 2HG GLU 13 HG3 GLU 13 6.443 -19.935 4.592 111 H CYS 14 H CYS 14 5.347 -17.661 3.179 112 HA CYS 14 HA CYS 14 6.749 -15.377 4.351 113 1HB CYS 14 HB2 CYS 14 4.577 -15.226 3.113 114 2HB CYS 14 HB3 CYS 14 3.839 -16.082 4.467 115 H ASP 15 H ASP 15 8.003 -16.343 5.940 116 HA ASP 15 HA ASP 15 7.302 -18.087 7.988 117 1HB ASP 15 HB2 ASP 15 9.152 -17.207 9.230 118 2HB ASP 15 HB3 ASP 15 9.603 -17.211 7.521 119 H VAL 16 H VAL 16 6.689 -14.618 7.760 120 HA VAL 16 HA VAL 16 5.764 -13.960 10.316 121 HB VAL 16 HB VAL 16 4.787 -13.008 7.595 122 1HG1 VAL 16 1HG1 VAL 16 4.546 -11.650 10.289 123 2HG1 VAL 16 2HG1 VAL 16 4.163 -10.913 8.721 124 3HG1 VAL 16 3HG1 VAL 16 3.208 -12.282 9.281 125 1HG2 VAL 16 1HG2 VAL 16 7.009 -12.018 9.431 126 2HG2 VAL 16 2HG2 VAL 16 7.191 -12.642 7.777 127 3HG2 VAL 16 3HG2 VAL 16 6.385 -11.097 8.054 128 H CYS 17 H CYS 17 4.014 -15.808 7.797 129 HA CYS 17 HA CYS 17 1.791 -16.235 9.797 130 1HB CYS 17 HB2 CYS 17 0.332 -16.606 7.916 131 2HB CYS 17 HB3 CYS 17 0.966 -14.962 7.966 132 H HIS 18 H HIS 18 4.468 -17.634 9.245 133 HA HIS 18 HA HIS 18 5.327 -19.674 8.949 134 1HB HIS 18 HB2 HIS 18 4.357 -21.409 10.316 135 2HB HIS 18 HB3 HIS 18 4.309 -19.855 11.144 136 HD1 HIS 18 HD1 HIS 18 1.893 -22.057 9.099 137 HD2 HIS 18 HD2 HIS 18 1.977 -19.225 12.200 138 HE1 HIS 18 HE1 HIS 18 -0.499 -21.951 10.079 139 H GLY 19 H GLY 19 4.211 -18.798 6.618 140 1HA GLY 19 HA2 GLY 19 3.894 -19.679 4.533 141 2HA GLY 19 HA3 GLY 19 3.951 -21.300 5.214 142 H SER 20 H SER 20 1.442 -19.839 6.933 143 HA SER 20 HA SER 20 -0.488 -21.339 5.310 144 1HB SER 20 HB2 SER 20 -2.115 -20.684 6.972 145 2HB SER 20 HB3 SER 20 -0.679 -21.383 7.729 146 HG SER 20 HG SER 20 -0.056 -19.308 8.381 147 H GLY 21 H GLY 21 -0.523 -18.103 6.565 148 1HA GLY 21 HA2 GLY 21 -0.677 -16.210 4.728 149 2HA GLY 21 HA3 GLY 21 -2.145 -17.074 4.296 150 H ALA 22 H ALA 22 -1.952 -17.594 7.633 151 HA ALA 22 HA ALA 22 -3.930 -15.474 8.050 152 1HB ALA 22 HB1 ALA 22 -2.934 -17.463 10.073 153 2HB ALA 22 HB2 ALA 22 -4.461 -16.552 10.055 154 3HB ALA 22 HB3 ALA 22 -4.193 -17.830 8.862 155 H LYS 23 H LYS 23 -3.694 -13.690 9.361 156 HA LYS 23 HA LYS 23 -1.303 -12.375 9.648 157 1HB LYS 23 HB2 LYS 23 -3.540 -11.394 9.894 158 2HB LYS 23 HB3 LYS 23 -3.747 -12.248 11.432 159 1HG LYS 23 HG2 LYS 23 -1.820 -10.899 12.374 160 2HG LYS 23 HG3 LYS 23 -1.835 -9.962 10.853 161 1HD LYS 23 HD2 LYS 23 -4.217 -9.368 11.306 162 2HD LYS 23 HD3 LYS 23 -4.150 -10.308 12.813 163 1HE LYS 23 HE2 LYS 23 -2.344 -8.828 13.664 164 2HE LYS 23 HE3 LYS 23 -2.420 -7.872 12.169 165 1HZ LYS 23 HZ1 LYS 23 -3.678 -6.882 13.928 166 2HZ LYS 23 HZ2 LYS 23 -4.686 -7.341 12.707 167 3HZ LYS 23 HZ3 LYS 23 -4.610 -8.231 14.093 168 HA PRO 24 HA PRO 24 1.355 -14.244 12.740 169 1HB PRO 24 HB2 PRO 24 1.215 -11.405 13.827 170 2HB PRO 24 HB3 PRO 24 2.616 -12.523 13.843 171 1HG PRO 24 HG2 PRO 24 2.413 -10.731 11.836 172 2HG PRO 24 HG3 PRO 24 2.789 -12.444 11.490 173 1HD PRO 24 HD2 PRO 24 0.189 -10.997 11.123 174 2HD PRO 24 HD3 PRO 24 0.917 -12.276 10.113 175 H GLY 25 H GLY 25 0.913 -15.384 14.615 176 1HA GLY 25 HA2 GLY 25 0.078 -15.963 16.670 177 2HA GLY 25 HA3 GLY 25 -0.558 -14.325 16.873 178 H THR 26 H THR 26 -2.223 -14.135 14.689 179 HA THR 26 HA THR 26 -4.609 -15.456 15.532 180 HB THR 26 HB THR 26 -4.253 -13.860 12.966 181 HG1 THR 26 HG1 THR 26 -3.101 -12.652 14.452 182 1HG2 THR 26 1HG2 THR 26 -6.412 -12.890 13.721 183 2HG2 THR 26 2HG2 THR 26 -6.501 -14.650 13.496 184 3HG2 THR 26 3HG2 THR 26 -6.394 -13.956 15.137 185 H GLN 27 H GLN 27 -3.493 -17.595 15.233 186 HA GLN 27 HA GLN 27 -2.700 -18.653 12.813 187 1HB GLN 27 HB2 GLN 27 -3.163 -20.921 13.918 188 2HB GLN 27 HB3 GLN 27 -2.099 -19.791 14.737 189 1HG GLN 27 HG2 GLN 27 -3.534 -20.934 16.318 190 2HG GLN 27 HG3 GLN 27 -3.837 -19.205 16.358 191 1HE2 GLN 27 1HE2 GLN 27 -6.745 -21.553 14.558 192 2HE2 GLN 27 2HE2 GLN 27 -5.084 -21.928 14.232 193 HA PRO 28 HA PRO 28 -6.275 -19.350 10.417 194 1HB PRO 28 HB2 PRO 28 -5.720 -21.507 8.912 195 2HB PRO 28 HB3 PRO 28 -4.842 -19.975 8.667 196 1HG PRO 28 HG2 PRO 28 -3.926 -22.363 10.308 197 2HG PRO 28 HG3 PRO 28 -2.982 -21.463 9.088 198 1HD PRO 28 HD2 PRO 28 -2.744 -20.948 11.728 199 2HD PRO 28 HD3 PRO 28 -2.716 -19.616 10.551 200 H GLN 29 H GLN 29 -8.192 -20.605 10.423 201 HA GLN 29 HA GLN 29 -8.361 -22.429 12.745 202 1HB GLN 29 HB2 GLN 29 -10.572 -21.513 10.881 203 2HB GLN 29 HB3 GLN 29 -10.744 -22.312 12.443 204 1HG GLN 29 HG2 GLN 29 -9.598 -19.528 11.925 205 2HG GLN 29 HG3 GLN 29 -11.150 -19.914 12.655 206 1HE2 GLN 29 1HE2 GLN 29 -7.850 -19.763 15.036 207 2HE2 GLN 29 2HE2 GLN 29 -7.707 -19.387 13.349 208 H THR 30 H THR 30 -8.753 -24.643 12.679 209 HA THR 30 HA THR 30 -7.847 -26.141 10.513 210 HB THR 30 HB THR 30 -9.903 -27.028 12.596 211 HG1 THR 30 HG1 THR 30 -7.118 -26.583 12.955 212 1HG2 THR 30 1HG2 THR 30 -7.468 -28.404 11.385 213 2HG2 THR 30 2HG2 THR 30 -8.576 -29.105 12.585 214 3HG2 THR 30 3HG2 THR 30 -9.170 -28.722 10.956 215 H CYS 31 H CYS 31 -8.866 -26.602 8.494 216 HA CYS 31 HA CYS 31 -11.550 -25.712 8.031 217 1HB CYS 31 HB2 CYS 31 -9.848 -25.956 6.256 218 2HB CYS 31 HB3 CYS 31 -9.892 -27.706 6.467 219 HA PRO 32 HA PRO 32 -13.166 -29.466 10.045 220 1HB PRO 32 HB2 PRO 32 -15.849 -28.997 9.942 221 2HB PRO 32 HB3 PRO 32 -14.735 -28.132 11.047 222 1HG PRO 32 HG2 PRO 32 -15.763 -27.163 8.364 223 2HG PRO 32 HG3 PRO 32 -15.757 -26.286 9.919 224 1HD PRO 32 HD2 PRO 32 -13.795 -25.940 8.064 225 2HD PRO 32 HD3 PRO 32 -13.434 -25.916 9.814 226 H THR 33 H THR 33 -14.417 -28.216 6.930 227 HA THR 33 HA THR 33 -15.762 -30.302 5.883 228 HB THR 33 HB THR 33 -13.824 -28.717 4.194 229 HG1 THR 33 HG1 THR 33 -16.117 -27.664 5.488 230 1HG2 THR 33 1HG2 THR 33 -15.778 -28.453 2.738 231 2HG2 THR 33 2HG2 THR 33 -15.525 -30.172 3.097 232 3HG2 THR 33 3HG2 THR 33 -16.813 -29.278 3.921 233 H CYS 34 H CYS 34 -12.202 -30.002 5.991 234 HA CYS 34 HA CYS 34 -11.971 -32.850 5.066 235 1HB CYS 34 HB2 CYS 34 -9.777 -32.264 4.145 236 2HB CYS 34 HB3 CYS 34 -11.095 -31.502 3.277 237 H HIS 35 H HIS 35 -12.317 -31.643 7.762 238 HA HIS 35 HA HIS 35 -11.430 -31.757 9.844 239 1HB HIS 35 HB2 HIS 35 -10.190 -34.337 8.872 240 2HB HIS 35 HB3 HIS 35 -10.890 -33.989 10.455 241 HD1 HIS 35 HD1 HIS 35 -13.696 -32.767 8.916 242 HD2 HIS 35 HD2 HIS 35 -11.686 -36.424 8.336 243 HE1 HIS 35 HE1 HIS 35 -15.358 -34.350 7.834 244 H GLY 36 H GLY 36 -9.795 -30.096 8.356 245 1HA GLY 36 HA2 GLY 36 -7.855 -28.947 8.764 246 2HA GLY 36 HA3 GLY 36 -7.366 -30.190 9.919 247 H SER 37 H SER 37 -7.867 -31.966 7.129 248 HA SER 37 HA SER 37 -4.955 -32.081 6.760 249 1HB SER 37 HB2 SER 37 -5.454 -33.938 5.227 250 2HB SER 37 HB3 SER 37 -6.120 -34.153 6.857 251 HG SER 37 HG SER 37 -8.154 -33.564 6.072 252 H GLY 38 H GLY 38 -7.590 -31.763 4.368 253 1HA GLY 38 HA2 GLY 38 -7.094 -29.466 3.050 254 2HA GLY 38 HA3 GLY 38 -5.706 -30.402 2.503 255 H GLN 39 H GLN 39 -8.067 -32.768 2.700 256 HA GLN 39 HA GLN 39 -9.133 -32.107 0.008 257 1HB GLN 39 HB2 GLN 39 -8.527 -34.141 -0.944 258 2HB GLN 39 HB3 GLN 39 -7.079 -33.453 -0.225 259 1HG GLN 39 HG2 GLN 39 -8.733 -35.795 0.797 260 2HG GLN 39 HG3 GLN 39 -7.125 -35.835 0.063 261 1HE2 GLN 39 1HE2 GLN 39 -7.574 -34.890 4.032 262 2HE2 GLN 39 2HE2 GLN 39 -8.960 -35.016 2.957 263 H VAL 40 H VAL 40 -11.167 -32.598 -0.384 264 HA VAL 40 HA VAL 40 -12.855 -33.518 1.857 265 HB VAL 40 HB VAL 40 -14.661 -33.367 0.048 266 1HG1 VAL 40 1HG1 VAL 40 -13.115 -30.860 0.759 267 2HG1 VAL 40 2HG1 VAL 40 -14.805 -30.932 0.195 268 3HG1 VAL 40 3HG1 VAL 40 -14.351 -31.679 1.743 269 1HG2 VAL 40 1HG2 VAL 40 -14.263 -32.144 -1.970 270 2HG2 VAL 40 2HG2 VAL 40 -12.584 -31.799 -1.539 271 3HG2 VAL 40 3HG2 VAL 40 -13.081 -33.458 -1.941 272 H GLN 41 H GLN 41 -13.744 -35.588 1.994 273 HA GLN 41 HA GLN 41 -12.980 -37.509 -0.151 274 1HB GLN 41 HB2 GLN 41 -11.721 -37.811 1.922 275 2HB GLN 41 HB3 GLN 41 -13.252 -38.082 2.783 276 1HG GLN 41 HG2 GLN 41 -13.715 -40.015 1.159 277 2HG GLN 41 HG3 GLN 41 -12.137 -39.731 0.442 278 1HE2 GLN 41 1HE2 GLN 41 -11.129 -42.331 2.632 279 2HE2 GLN 41 2HE2 GLN 41 -11.616 -41.943 0.983 280 H MET 42 H MET 42 -14.691 -38.054 -1.266 281 HA MET 42 HA MET 42 -17.432 -37.733 -0.257 282 1HB MET 42 HB2 MET 42 -16.402 -38.902 -2.881 283 2HB MET 42 HB3 MET 42 -18.069 -38.473 -2.474 284 1HG MET 42 HG2 MET 42 -16.892 -36.098 -1.905 285 2HG MET 42 HG3 MET 42 -15.682 -36.731 -3.020 286 1HE MET 42 HE1 MET 42 -20.052 -35.622 -3.978 287 2HE MET 42 HE2 MET 42 -19.655 -37.008 -2.938 288 3HE MET 42 HE3 MET 42 -19.222 -35.366 -2.422 289 H ARG 43 H ARG 43 -16.936 -39.139 1.561 290 HA ARG 43 HA ARG 43 -16.489 -41.976 1.276 291 1HB ARG 43 HB2 ARG 43 -17.491 -40.325 3.621 292 2HB ARG 43 HB3 ARG 43 -17.179 -42.067 3.672 293 1HG ARG 43 HG2 ARG 43 -14.839 -41.635 2.870 294 2HG ARG 43 HG3 ARG 43 -15.123 -39.899 3.099 295 1HD ARG 43 HD2 ARG 43 -15.526 -41.970 5.303 296 2HD ARG 43 HD3 ARG 43 -13.969 -41.230 5.010 297 HE ARG 43 HE ARG 43 -16.396 -39.966 6.102 298 1HH1 ARG 43 1HH1 ARG 43 -12.912 -37.913 5.747 299 2HH1 ARG 43 2HH1 ARG 43 -13.090 -39.392 4.839 300 1HH2 ARG 43 1HH2 ARG 43 -14.610 -37.140 7.142 301 2HH2 ARG 43 2HH2 ARG 43 -16.108 -38.032 7.229 302 H GLN 44 H GLN 44 -18.193 -41.987 -0.529 303 HA GLN 44 HA GLN 44 -20.968 -42.353 0.280 304 1HB GLN 44 HB2 GLN 44 -21.326 -42.815 -2.082 305 2HB GLN 44 HB3 GLN 44 -20.322 -41.383 -1.857 306 1HG GLN 44 HG2 GLN 44 -18.344 -43.244 -2.139 307 2HG GLN 44 HG3 GLN 44 -19.622 -44.053 -3.037 308 1HE2 GLN 44 1HE2 GLN 44 -17.963 -40.557 -4.480 309 2HE2 GLN 44 2HE2 GLN 44 -17.734 -41.007 -2.794 310 H GLY 45 H GLY 45 -19.646 -43.934 1.949 311 1HA GLY 45 HA2 GLY 45 -19.707 -46.037 2.828 312 2HA GLY 45 HA3 GLY 45 -20.715 -46.551 1.471 313 H PHE 46 H PHE 46 -19.363 -46.668 -0.690 314 HA PHE 46 HA PHE 46 -17.065 -48.484 -0.127 315 1HB PHE 46 HB2 PHE 46 -17.566 -49.319 -2.453 316 2HB PHE 46 HB3 PHE 46 -18.700 -49.694 -1.171 317 HD1 PHE 46 HD1 PHE 46 -18.403 -48.295 -4.480 318 HD2 PHE 46 HD2 PHE 46 -20.892 -48.437 -0.960 319 HE1 PHE 46 HE1 PHE 46 -20.291 -47.345 -5.765 320 HE2 PHE 46 HE2 PHE 46 -22.757 -47.444 -2.244 321 HZ PHE 46 HZ PHE 46 -22.456 -46.874 -4.646 322 H PHE 47 H PHE 47 -17.895 -46.343 -2.932 323 HA PHE 47 HA PHE 47 -15.052 -46.031 -3.511 324 1HB PHE 47 HB2 PHE 47 -17.444 -44.544 -4.638 325 2HB PHE 47 HB3 PHE 47 -15.811 -44.510 -5.285 326 HD1 PHE 47 HD1 PHE 47 -18.446 -45.223 -6.708 327 HD2 PHE 47 HD2 PHE 47 -15.257 -47.606 -5.020 328 HE1 PHE 47 HE1 PHE 47 -18.925 -47.039 -8.323 329 HE2 PHE 47 HE2 PHE 47 -15.778 -49.417 -6.601 330 HZ PHE 47 HZ PHE 47 -17.618 -49.152 -8.251 331 H ALA 48 H ALA 48 -14.650 -45.291 -1.224 332 HA ALA 48 HA ALA 48 -15.320 -42.566 -0.523 333 1HB ALA 48 HB1 ALA 48 -13.244 -44.480 0.616 334 2HB ALA 48 HB2 ALA 48 -13.818 -42.988 1.383 335 3HB ALA 48 HB3 ALA 48 -14.936 -44.339 1.140 336 H VAL 49 H VAL 49 -14.515 -42.005 -2.869 337 HA VAL 49 HA VAL 49 -11.649 -41.505 -3.127 338 HB VAL 49 HB VAL 49 -12.253 -40.444 -5.259 339 1HG1 VAL 49 1HG1 VAL 49 -11.897 -42.856 -4.992 340 2HG1 VAL 49 2HG1 VAL 49 -13.640 -43.102 -4.758 341 3HG1 VAL 49 3HG1 VAL 49 -13.030 -42.495 -6.318 342 1HG2 VAL 49 1HG2 VAL 49 -15.168 -41.039 -4.545 343 2HG2 VAL 49 2HG2 VAL 49 -14.436 -39.425 -4.650 344 3HG2 VAL 49 3HG2 VAL 49 -14.552 -40.443 -6.092 345 H GLN 50 H GLN 50 -10.943 -39.179 -3.837 346 HA GLN 50 HA GLN 50 -12.279 -37.168 -2.202 347 1HB GLN 50 HB2 GLN 50 -10.356 -36.877 -0.716 348 2HB GLN 50 HB3 GLN 50 -10.654 -38.622 -0.835 349 1HG GLN 50 HG2 GLN 50 -8.875 -38.675 -2.661 350 2HG GLN 50 HG3 GLN 50 -8.538 -36.979 -2.266 351 1HE2 GLN 50 1HE2 GLN 50 -7.722 -38.858 1.167 352 2HE2 GLN 50 2HE2 GLN 50 -9.348 -38.418 0.684 353 H GLN 51 H GLN 51 -11.385 -35.014 -2.397 354 HA GLN 51 HA GLN 51 -9.695 -34.495 -4.770 355 1HB GLN 51 HB2 GLN 51 -12.300 -32.968 -4.426 356 2HB GLN 51 HB3 GLN 51 -11.190 -32.984 -5.787 357 1HG GLN 51 HG2 GLN 51 -12.973 -34.211 -6.602 358 2HG GLN 51 HG3 GLN 51 -11.869 -35.484 -6.091 359 1HE2 GLN 51 1HE2 GLN 51 -15.307 -34.682 -3.862 360 2HE2 GLN 51 2HE2 GLN 51 -14.496 -33.389 -4.720 361 H THR 52 H THR 52 -8.872 -32.205 -4.718 362 HA THR 52 HA THR 52 -8.024 -31.344 -2.216 363 HB THR 52 HB THR 52 -8.560 -29.618 -4.678 364 HG1 THR 52 HG1 THR 52 -6.361 -31.326 -4.119 365 1HG2 THR 52 1HG2 THR 52 -6.429 -29.489 -2.497 366 2HG2 THR 52 2HG2 THR 52 -6.503 -28.440 -3.931 367 3HG2 THR 52 3HG2 THR 52 -7.782 -28.353 -2.707 368 H CYS 53 H CYS 53 -8.928 -30.003 -0.604 369 HA CYS 53 HA CYS 53 -11.765 -29.505 -0.762 370 1HB CYS 53 HB2 CYS 53 -10.609 -30.133 1.314 371 2HB CYS 53 HB3 CYS 53 -9.716 -28.609 1.267 372 HA PRO 54 HA PRO 54 -10.884 -25.516 -2.774 373 1HB PRO 54 HB2 PRO 54 -13.430 -24.629 -3.218 374 2HB PRO 54 HB3 PRO 54 -12.669 -25.941 -4.162 375 1HG PRO 54 HG2 PRO 54 -14.557 -26.226 -1.811 376 2HG PRO 54 HG3 PRO 54 -14.632 -27.056 -3.389 377 1HD PRO 54 HD2 PRO 54 -13.519 -28.225 -1.201 378 2HD PRO 54 HD3 PRO 54 -12.844 -28.484 -2.836 379 H HIS 55 H HIS 55 -13.209 -25.851 -0.101 380 HA HIS 55 HA HIS 55 -13.606 -23.312 0.785 381 1HB HIS 55 HB2 HIS 55 -14.597 -25.408 1.673 382 2HB HIS 55 HB3 HIS 55 -13.070 -25.777 2.483 383 HD1 HIS 55 HD1 HIS 55 -14.656 -25.881 4.717 384 HD2 HIS 55 HD2 HIS 55 -14.198 -22.132 2.839 385 HE1 HIS 55 HE1 HIS 55 -15.422 -24.115 6.389 386 H CYS 56 H CYS 56 -10.728 -25.291 1.478 387 HA CYS 56 HA CYS 56 -9.332 -22.891 2.636 388 1HB CYS 56 HB2 CYS 56 -7.951 -24.522 3.850 389 2HB CYS 56 HB3 CYS 56 -9.650 -24.600 4.324 390 H GLN 57 H GLN 57 -9.603 -23.918 -0.255 391 HA GLN 57 HA GLN 57 -8.302 -24.343 -2.063 392 1HB GLN 57 HB2 GLN 57 -6.452 -22.393 -0.633 393 2HB GLN 57 HB3 GLN 57 -6.546 -22.701 -2.366 394 1HG GLN 57 HG2 GLN 57 -7.681 -20.671 -2.042 395 2HG GLN 57 HG3 GLN 57 -8.948 -21.868 -2.315 396 1HE2 GLN 57 1HE2 GLN 57 -10.536 -21.205 0.808 397 2HE2 GLN 57 2HE2 GLN 57 -10.582 -22.002 -0.744 398 H GLY 58 H GLY 58 -7.995 -26.458 -0.369 399 1HA GLY 58 HA2 GLY 58 -6.690 -28.322 -0.204 400 2HA GLY 58 HA3 GLY 58 -5.489 -27.555 -1.238 401 H ARG 59 H ARG 59 -5.705 -25.404 1.348 402 HA ARG 59 HA ARG 59 -3.181 -26.414 2.423 403 1HB ARG 59 HB2 ARG 59 -4.935 -24.144 3.365 404 2HB ARG 59 HB3 ARG 59 -3.230 -24.402 3.768 405 1HG ARG 59 HG2 ARG 59 -2.588 -24.007 1.404 406 2HG ARG 59 HG3 ARG 59 -4.285 -23.647 1.017 407 1HD ARG 59 HD2 ARG 59 -2.543 -22.168 3.049 408 2HD ARG 59 HD3 ARG 59 -3.047 -21.545 1.487 409 HE ARG 59 HE ARG 59 -4.720 -22.026 3.912 410 1HH1 ARG 59 1HH1 ARG 59 -6.973 -21.825 3.735 411 2HH1 ARG 59 2HH1 ARG 59 -7.652 -20.991 2.322 412 1HH2 ARG 59 1HH2 ARG 59 -4.605 -20.512 0.700 413 2HH2 ARG 59 2HH2 ARG 59 -6.353 -20.311 0.651 414 H GLY 60 H GLY 60 -6.412 -27.105 3.203 415 1HA GLY 60 HA2 GLY 60 -7.393 -28.219 5.023 416 2HA GLY 60 HA3 GLY 60 -5.789 -28.411 5.706 417 H THR 61 H THR 61 -5.804 -25.178 5.248 418 HA THR 61 HA THR 61 -6.832 -24.524 7.948 419 HB THR 61 HB THR 61 -4.827 -22.834 7.570 420 HG1 THR 61 HG1 THR 61 -3.932 -25.043 6.041 421 1HG2 THR 61 1HG2 THR 61 -4.931 -24.536 9.373 422 2HG2 THR 61 2HG2 THR 61 -4.409 -25.788 8.225 423 3HG2 THR 61 3HG2 THR 61 -3.308 -24.464 8.659 424 H LEU 62 H LEU 62 -8.116 -22.858 8.190 425 HA LEU 62 HA LEU 62 -8.982 -21.293 5.834 426 1HB LEU 62 HB2 LEU 62 -10.087 -21.553 8.650 427 2HB LEU 62 HB3 LEU 62 -10.795 -20.558 7.376 428 HG LEU 62 HG LEU 62 -10.462 -23.588 7.199 429 1HD1 LEU 62 1HD1 LEU 62 -12.876 -21.858 7.894 430 2HD1 LEU 62 2HD1 LEU 62 -12.924 -23.611 7.603 431 3HD1 LEU 62 3HD1 LEU 62 -12.021 -22.966 8.988 432 1HD2 LEU 62 1HD2 LEU 62 -10.580 -22.461 4.968 433 2HD2 LEU 62 2HD2 LEU 62 -12.049 -23.375 5.310 434 3HD2 LEU 62 3HD2 LEU 62 -12.042 -21.606 5.487 435 H ILE 63 H ILE 63 -8.137 -19.438 5.492 436 HA ILE 63 HA ILE 63 -6.324 -18.053 7.257 437 HB ILE 63 HB ILE 63 -7.622 -17.221 4.636 438 1HG1 ILE 63 2HG1 ILE 63 -6.424 -19.358 4.391 439 2HG1 ILE 63 3HG1 ILE 63 -5.642 -18.043 3.519 440 1HG2 ILE 63 1HG2 ILE 63 -6.692 -15.264 5.662 441 2HG2 ILE 63 2HG2 ILE 63 -5.231 -16.126 6.157 442 3HG2 ILE 63 3HG2 ILE 63 -5.535 -15.796 4.438 443 1HD1 ILE 63 1HD1 ILE 63 -4.735 -19.263 6.166 444 2HD1 ILE 63 2HD1 ILE 63 -3.982 -19.442 4.573 445 3HD1 ILE 63 3HD1 ILE 63 -3.985 -17.864 5.364 446 H LYS 64 H LYS 64 -7.694 -17.883 9.085 447 HA LYS 64 HA LYS 64 -10.102 -16.732 9.469 448 1HB LYS 64 HB2 LYS 64 -8.634 -17.642 11.224 449 2HB LYS 64 HB3 LYS 64 -7.590 -16.221 11.143 450 1HG LYS 64 HG2 LYS 64 -9.338 -14.780 11.962 451 2HG LYS 64 HG3 LYS 64 -10.563 -16.056 11.811 452 1HD LYS 64 HD2 LYS 64 -9.478 -17.397 13.531 453 2HD LYS 64 HD3 LYS 64 -8.137 -16.263 13.662 454 1HE LYS 64 HE2 LYS 64 -11.066 -15.656 14.317 455 2HE LYS 64 HE3 LYS 64 -9.799 -16.025 15.498 456 1HZ LYS 64 HZ1 LYS 64 -8.628 -14.072 14.762 457 2HZ LYS 64 HZ2 LYS 64 -9.833 -13.706 13.699 458 3HZ LYS 64 HZ3 LYS 64 -10.133 -13.695 15.317 459 H ASP 65 H ASP 65 -7.043 -14.869 9.184 460 HA ASP 65 HA ASP 65 -8.456 -12.646 7.982 461 1HB ASP 65 HB2 ASP 65 -7.545 -10.946 9.444 462 2HB ASP 65 HB3 ASP 65 -8.619 -12.037 10.324 463 HA PRO 66 HA PRO 66 -4.876 -13.505 5.651 464 1HB PRO 66 HB2 PRO 66 -4.862 -11.491 3.780 465 2HB PRO 66 HB3 PRO 66 -6.067 -12.810 3.827 466 1HG PRO 66 HG2 PRO 66 -6.334 -10.035 5.019 467 2HG PRO 66 HG3 PRO 66 -7.486 -10.870 3.932 468 1HD PRO 66 HD2 PRO 66 -7.831 -10.897 6.613 469 2HD PRO 66 HD3 PRO 66 -8.133 -12.384 5.660 470 H CYS 67 H CYS 67 -2.787 -13.269 5.729 471 HA CYS 67 HA CYS 67 -1.440 -11.212 7.261 472 1HB CYS 67 HB2 CYS 67 -0.693 -13.541 7.247 473 2HB CYS 67 HB3 CYS 67 -0.507 -13.507 5.497 474 H ASN 68 H ASN 68 -1.992 -9.326 6.153 475 HA ASN 68 HA ASN 68 -2.121 -8.584 3.579 476 1HB ASN 68 HB2 ASN 68 -2.454 -7.039 5.424 477 2HB ASN 68 HB3 ASN 68 -0.722 -7.022 5.789 478 1HD2 ASN 68 1HD2 ASN 68 0.058 -4.700 3.206 479 2HD2 ASN 68 2HD2 ASN 68 0.705 -5.755 4.446 480 H LYS 69 H LYS 69 0.991 -8.911 5.301 481 HA LYS 69 HA LYS 69 2.836 -7.973 3.511 482 1HB LYS 69 HB2 LYS 69 3.345 -8.884 5.728 483 2HB LYS 69 HB3 LYS 69 3.030 -10.528 5.139 484 1HG LYS 69 HG2 LYS 69 4.899 -10.354 3.549 485 2HG LYS 69 HG3 LYS 69 5.168 -8.663 4.019 486 1HD LYS 69 HD2 LYS 69 5.798 -9.357 6.284 487 2HD LYS 69 HD3 LYS 69 5.306 -11.025 5.942 488 1HE LYS 69 HE2 LYS 69 7.756 -10.810 5.845 489 2HE LYS 69 HE3 LYS 69 7.095 -11.267 4.269 490 1HZ LYS 69 HZ1 LYS 69 8.750 -9.557 4.105 491 2HZ LYS 69 HZ2 LYS 69 7.293 -8.988 3.592 492 3HZ LYS 69 HZ3 LYS 69 7.875 -8.548 5.071 493 H CYS 70 H CYS 70 1.095 -11.088 3.261 494 HA CYS 70 HA CYS 70 2.246 -11.491 0.509 495 1HB CYS 70 HB2 CYS 70 2.138 -13.885 0.949 496 2HB CYS 70 HB3 CYS 70 3.198 -13.108 2.121 497 H HIS 71 H HIS 71 -0.280 -10.123 1.557 498 HA HIS 71 HA HIS 71 -2.521 -10.124 1.270 499 1HB HIS 71 HB2 HIS 71 -1.494 -9.861 -1.046 500 2HB HIS 71 HB3 HIS 71 -1.920 -11.547 -1.348 501 HD1 HIS 71 HD1 HIS 71 -4.776 -11.881 -0.694 502 HD2 HIS 71 HD2 HIS 71 -3.228 -8.197 -1.995 503 HE1 HIS 71 HE1 HIS 71 -6.763 -10.534 -1.639 504 H GLY 72 H GLY 72 -1.588 -12.309 2.852 505 1HA GLY 72 HA2 GLY 72 -2.249 -14.217 3.773 506 2HA GLY 72 HA3 GLY 72 -3.875 -13.922 3.131 507 H HIS 73 H HIS 73 -1.161 -14.384 0.876 508 HA HIS 73 HA HIS 73 -2.374 -16.781 -0.215 509 1HB HIS 73 HB2 HIS 73 -1.234 -15.122 -1.613 510 2HB HIS 73 HB3 HIS 73 0.276 -15.368 -0.726 511 HD1 HIS 73 HD1 HIS 73 -1.430 -18.616 -1.516 512 HD2 HIS 73 HD2 HIS 73 1.392 -15.957 -3.140 513 HE1 HIS 73 HE1 HIS 73 -0.230 -19.884 -3.385 514 H GLY 74 H GLY 74 0.427 -15.996 1.761 515 1HA GLY 74 HA2 GLY 74 1.119 -17.557 3.534 516 2HA GLY 74 HA3 GLY 74 0.948 -18.883 2.388 517 H ARG 75 H ARG 75 2.169 -16.663 0.358 518 HA ARG 75 HA ARG 75 4.962 -16.703 1.236 519 1HB ARG 75 HB2 ARG 75 5.663 -17.765 -0.938 520 2HB ARG 75 HB3 ARG 75 4.861 -18.810 0.222 521 1HG ARG 75 HG2 ARG 75 2.679 -18.075 -1.268 522 2HG ARG 75 HG3 ARG 75 3.914 -17.807 -2.470 523 1HD ARG 75 HD2 ARG 75 2.906 -20.110 -2.567 524 2HD ARG 75 HD3 ARG 75 4.646 -20.145 -2.279 525 HE ARG 75 HE ARG 75 4.309 -21.170 -0.289 526 1HH1 ARG 75 1HH1 ARG 75 3.499 -21.319 1.787 527 2HH1 ARG 75 2HH1 ARG 75 1.845 -20.969 2.168 528 1HH2 ARG 75 1HH2 ARG 75 1.269 -19.682 -1.151 529 2HH2 ARG 75 2HH2 ARG 75 0.512 -19.846 0.410 530 H VAL 76 H VAL 76 6.227 -15.184 0.220 531 HA VAL 76 HA VAL 76 4.689 -13.056 -1.194 532 HB VAL 76 HB VAL 76 6.565 -11.597 -0.714 533 1HG1 VAL 76 1HG1 VAL 76 4.707 -11.770 0.886 534 2HG1 VAL 76 2HG1 VAL 76 5.589 -13.027 1.790 535 3HG1 VAL 76 3HG1 VAL 76 6.233 -11.376 1.690 536 1HG2 VAL 76 1HG2 VAL 76 8.462 -13.141 -0.647 537 2HG2 VAL 76 2HG2 VAL 76 8.352 -12.228 0.857 538 3HG2 VAL 76 3HG2 VAL 76 7.813 -13.913 0.826 539 H GLU 77 H GLU 77 5.169 -12.478 -3.275 540 HA GLU 77 HA GLU 77 6.843 -14.337 -4.827 541 1HB GLU 77 HB2 GLU 77 4.578 -13.741 -5.609 542 2HB GLU 77 HB3 GLU 77 5.036 -12.026 -5.660 543 1HG GLU 77 HG2 GLU 77 6.773 -12.539 -7.353 544 2HG GLU 77 HG3 GLU 77 6.333 -14.254 -7.298 545 H ARG 78 H ARG 78 8.916 -13.873 -5.289 546 HA ARG 78 HA ARG 78 10.215 -11.411 -4.586 547 1HB ARG 78 HB2 ARG 78 11.242 -13.717 -4.616 548 2HB ARG 78 HB3 ARG 78 11.169 -13.669 -6.382 549 1HG ARG 78 HG2 ARG 78 12.560 -11.484 -6.196 550 2HG ARG 78 HG3 ARG 78 12.760 -11.885 -4.487 551 1HD ARG 78 HD2 ARG 78 14.707 -12.700 -5.766 552 2HD ARG 78 HD3 ARG 78 13.793 -14.051 -5.098 553 HE ARG 78 HE ARG 78 13.412 -14.834 -7.202 554 1HH1 ARG 78 1HH1 ARG 78 14.204 -11.392 -7.492 555 2HH1 ARG 78 2HH1 ARG 78 14.095 -11.380 -9.234 556 1HH2 ARG 78 1HH2 ARG 78 13.320 -14.830 -9.462 557 2HH2 ARG 78 2HH2 ARG 78 13.534 -13.385 -10.386 558 H SER 79 H SER 79 8.615 -10.088 -5.743 559 HA SER 79 HA SER 79 8.828 -9.865 -8.694 560 1HB SER 79 HB2 SER 79 6.879 -8.247 -8.186 561 2HB SER 79 HB3 SER 79 6.592 -9.973 -7.917 562 HG SER 79 HG SER 79 6.834 -9.692 -5.719 Start of MODEL 18 1 H GLY 1 H GLY 1 20.219 -27.838 -8.812 2 1HA GLY 1 HA2 GLY 1 18.442 -27.112 -7.117 3 2HA GLY 1 HA3 GLY 1 19.289 -25.548 -7.106 4 H VAL 2 H VAL 2 19.837 -24.871 -9.537 5 HA VAL 2 HA VAL 2 17.313 -24.425 -10.915 6 HB VAL 2 HB VAL 2 18.681 -23.277 -12.588 7 1HG1 VAL 2 1HG1 VAL 2 19.526 -21.484 -11.169 8 2HG1 VAL 2 2HG1 VAL 2 17.996 -22.097 -10.521 9 3HG1 VAL 2 3HG1 VAL 2 19.532 -22.548 -9.752 10 1HG2 VAL 2 1HG2 VAL 2 21.106 -23.019 -12.341 11 2HG2 VAL 2 2HG2 VAL 2 21.128 -24.151 -10.980 12 3HG2 VAL 2 3HG2 VAL 2 20.696 -24.717 -12.607 13 H THR 3 H THR 3 19.571 -26.990 -10.843 14 HA THR 3 HA THR 3 19.473 -28.047 -13.473 15 HB THR 3 HB THR 3 20.320 -30.056 -12.083 16 HG1 THR 3 HG1 THR 3 19.225 -29.505 -10.196 17 1HG2 THR 3 1HG2 THR 3 21.701 -27.369 -11.594 18 2HG2 THR 3 2HG2 THR 3 22.433 -28.976 -11.456 19 3HG2 THR 3 3HG2 THR 3 21.891 -28.386 -13.038 20 H LYS 4 H LYS 4 17.012 -27.630 -13.639 21 HA LYS 4 HA LYS 4 15.624 -30.149 -13.478 22 1HB LYS 4 HB2 LYS 4 13.728 -29.306 -12.088 23 2HB LYS 4 HB3 LYS 4 15.226 -29.469 -11.176 24 1HG LYS 4 HG2 LYS 4 15.627 -27.085 -11.205 25 2HG LYS 4 HG3 LYS 4 14.331 -26.806 -12.373 26 1HD LYS 4 HD2 LYS 4 13.641 -26.153 -10.143 27 2HD LYS 4 HD3 LYS 4 12.634 -27.483 -10.740 28 1HE LYS 4 HE2 LYS 4 13.859 -29.086 -9.332 29 2HE LYS 4 HE3 LYS 4 15.023 -27.834 -8.864 30 1HZ LYS 4 HZ1 LYS 4 13.380 -28.189 -7.193 31 2HZ LYS 4 HZ2 LYS 4 13.247 -26.663 -7.797 32 3HZ LYS 4 HZ3 LYS 4 12.158 -27.821 -8.236 33 H GLU 5 H GLU 5 13.071 -29.231 -13.960 34 HA GLU 5 HA GLU 5 13.193 -28.346 -16.649 35 1HB GLU 5 HB2 GLU 5 10.824 -28.071 -14.742 36 2HB GLU 5 HB3 GLU 5 10.780 -28.201 -16.505 37 1HG GLU 5 HG2 GLU 5 11.538 -30.387 -14.506 38 2HG GLU 5 HG3 GLU 5 10.128 -30.327 -15.560 39 H ILE 6 H ILE 6 13.055 -26.305 -17.558 40 HA ILE 6 HA ILE 6 13.690 -24.037 -15.860 41 HB ILE 6 HB ILE 6 13.783 -22.794 -18.012 42 1HG1 ILE 6 2HG1 ILE 6 13.456 -25.508 -19.379 43 2HG1 ILE 6 3HG1 ILE 6 12.127 -24.349 -19.239 44 1HG2 ILE 6 1HG2 ILE 6 15.412 -25.363 -17.844 45 2HG2 ILE 6 2HG2 ILE 6 15.886 -23.863 -18.671 46 3HG2 ILE 6 3HG2 ILE 6 15.705 -23.882 -16.913 47 1HD1 ILE 6 1HD1 ILE 6 14.776 -23.856 -20.657 48 2HD1 ILE 6 2HD1 ILE 6 13.185 -24.099 -21.396 49 3HD1 ILE 6 3HD1 ILE 6 13.492 -22.645 -20.428 50 H ARG 7 H ARG 7 11.522 -24.680 -14.786 51 HA ARG 7 HA ARG 7 9.810 -22.387 -15.131 52 1HB ARG 7 HB2 ARG 7 8.914 -24.200 -16.785 53 2HB ARG 7 HB3 ARG 7 8.513 -25.143 -15.351 54 1HG ARG 7 HG2 ARG 7 6.536 -24.022 -16.031 55 2HG ARG 7 HG3 ARG 7 7.077 -23.156 -14.588 56 1HD ARG 7 HD2 ARG 7 8.051 -21.377 -16.028 57 2HD ARG 7 HD3 ARG 7 7.597 -22.307 -17.475 58 HE ARG 7 HE ARG 7 5.288 -21.885 -15.871 59 1HH1 ARG 7 1HH1 ARG 7 3.771 -20.275 -16.426 60 2HH1 ARG 7 2HH1 ARG 7 4.213 -18.953 -17.470 61 1HH2 ARG 7 1HH2 ARG 7 7.553 -20.072 -17.878 62 2HH2 ARG 7 2HH2 ARG 7 6.409 -18.832 -18.315 63 H ILE 8 H ILE 8 11.656 -23.126 -13.270 64 HA ILE 8 HA ILE 8 10.926 -24.754 -11.196 65 HB ILE 8 HB ILE 8 13.107 -23.991 -11.282 66 1HG1 ILE 8 2HG1 ILE 8 11.907 -22.711 -8.802 67 2HG1 ILE 8 3HG1 ILE 8 12.159 -24.439 -9.054 68 1HG2 ILE 8 1HG2 ILE 8 13.850 -21.655 -10.951 69 2HG2 ILE 8 2HG2 ILE 8 12.945 -21.888 -12.431 70 3HG2 ILE 8 3HG2 ILE 8 12.170 -21.116 -11.049 71 1HD1 ILE 8 1HD1 ILE 8 14.624 -23.979 -9.365 72 2HD1 ILE 8 2HD1 ILE 8 14.308 -22.298 -8.871 73 3HD1 ILE 8 3HD1 ILE 8 13.982 -23.624 -7.750 74 HA PRO 9 HA PRO 9 7.378 -22.382 -9.575 75 1HB PRO 9 HB2 PRO 9 6.448 -24.167 -7.762 76 2HB PRO 9 HB3 PRO 9 6.280 -24.433 -9.522 77 1HG PRO 9 HG2 PRO 9 8.402 -25.569 -7.683 78 2HG PRO 9 HG3 PRO 9 7.406 -26.448 -8.877 79 1HD PRO 9 HD2 PRO 9 9.936 -25.584 -9.409 80 2HD PRO 9 HD3 PRO 9 8.675 -25.603 -10.680 81 H THR 10 H THR 10 9.162 -20.996 -8.907 82 HA THR 10 HA THR 10 10.567 -21.407 -6.448 83 HB THR 10 HB THR 10 10.381 -18.748 -7.903 84 HG1 THR 10 HG1 THR 10 10.741 -20.492 -9.464 85 1HG2 THR 10 1HG2 THR 10 12.759 -18.674 -7.271 86 2HG2 THR 10 2HG2 THR 10 11.797 -19.007 -5.805 87 3HG2 THR 10 3HG2 THR 10 12.670 -20.325 -6.632 88 H LEU 11 H LEU 11 8.408 -21.833 -5.340 89 HA LEU 11 HA LEU 11 7.009 -19.432 -4.348 90 1HB LEU 11 HB2 LEU 11 6.659 -22.375 -3.678 91 2HB LEU 11 HB3 LEU 11 5.614 -21.054 -3.137 92 HG LEU 11 HG LEU 11 6.013 -21.969 -6.025 93 1HD1 LEU 11 1HD1 LEU 11 3.601 -22.115 -4.167 94 2HD1 LEU 11 2HD1 LEU 11 3.668 -22.669 -5.853 95 3HD1 LEU 11 3HD1 LEU 11 4.648 -23.479 -4.619 96 1HD2 LEU 11 1HD2 LEU 11 4.111 -20.362 -6.487 97 2HD2 LEU 11 2HD2 LEU 11 4.352 -19.688 -4.861 98 3HD2 LEU 11 3HD2 LEU 11 5.641 -19.580 -6.090 99 H GLU 12 H GLU 12 7.057 -18.668 -2.311 100 HA GLU 12 HA GLU 12 9.171 -19.645 -0.450 101 1HB GLU 12 HB2 GLU 12 8.213 -16.793 -0.932 102 2HB GLU 12 HB3 GLU 12 9.515 -17.311 0.150 103 1HG GLU 12 HG2 GLU 12 10.780 -18.160 -1.851 104 2HG GLU 12 HG3 GLU 12 9.489 -17.545 -2.900 105 H GLU 13 H GLU 13 8.423 -20.042 1.569 106 HA GLU 13 HA GLU 13 5.594 -20.018 2.137 107 1HB GLU 13 HB2 GLU 13 7.272 -21.699 3.017 108 2HB GLU 13 HB3 GLU 13 7.975 -20.408 4.014 109 1HG GLU 13 HG2 GLU 13 5.691 -20.095 5.070 110 2HG GLU 13 HG3 GLU 13 5.145 -21.513 4.143 111 H CYS 14 H CYS 14 4.407 -18.317 3.116 112 HA CYS 14 HA CYS 14 5.833 -15.841 3.667 113 1HB CYS 14 HB2 CYS 14 3.516 -15.945 2.736 114 2HB CYS 14 HB3 CYS 14 2.996 -16.556 4.313 115 H ASP 15 H ASP 15 7.296 -16.495 5.299 116 HA ASP 15 HA ASP 15 6.894 -17.870 7.660 117 1HB ASP 15 HB2 ASP 15 8.819 -16.750 8.543 118 2HB ASP 15 HB3 ASP 15 9.085 -17.001 6.813 119 H VAL 16 H VAL 16 6.117 -14.484 7.006 120 HA VAL 16 HA VAL 16 5.433 -13.524 9.542 121 HB VAL 16 HB VAL 16 4.278 -12.928 6.789 122 1HG1 VAL 16 1HG1 VAL 16 3.586 -10.730 7.771 123 2HG1 VAL 16 2HG1 VAL 16 2.650 -12.115 8.324 124 3HG1 VAL 16 3HG1 VAL 16 3.900 -11.407 9.386 125 1HG2 VAL 16 1HG2 VAL 16 6.404 -11.548 8.486 126 2HG2 VAL 16 2HG2 VAL 16 6.683 -12.436 6.974 127 3HG2 VAL 16 3HG2 VAL 16 5.767 -10.927 6.954 128 H CYS 17 H CYS 17 3.531 -15.768 7.525 129 HA CYS 17 HA CYS 17 1.556 -15.945 9.791 130 1HB CYS 17 HB2 CYS 17 -0.108 -16.595 8.134 131 2HB CYS 17 HB3 CYS 17 0.445 -14.930 7.916 132 H HIS 18 H HIS 18 4.148 -17.316 9.224 133 HA HIS 18 HA HIS 18 5.069 -19.365 9.073 134 1HB HIS 18 HB2 HIS 18 4.262 -20.956 10.701 135 2HB HIS 18 HB3 HIS 18 4.227 -19.318 11.350 136 HD1 HIS 18 HD1 HIS 18 1.734 -21.790 9.758 137 HD2 HIS 18 HD2 HIS 18 1.965 -18.632 12.517 138 HE1 HIS 18 HE1 HIS 18 -0.580 -21.630 10.907 139 H GLY 19 H GLY 19 3.735 -18.792 6.758 140 1HA GLY 19 HA2 GLY 19 3.292 -19.912 4.813 141 2HA GLY 19 HA3 GLY 19 3.449 -21.445 5.672 142 H SER 20 H SER 20 1.039 -19.872 7.393 143 HA SER 20 HA SER 20 -0.959 -21.579 6.083 144 1HB SER 20 HB2 SER 20 -2.440 -20.901 7.845 145 2HB SER 20 HB3 SER 20 -0.908 -21.492 8.495 146 HG SER 20 HG SER 20 -0.310 -19.318 8.912 147 H GLY 21 H GLY 21 -1.162 -18.254 7.163 148 1HA GLY 21 HA2 GLY 21 -1.513 -16.614 5.076 149 2HA GLY 21 HA3 GLY 21 -2.997 -17.529 4.935 150 H ALA 22 H ALA 22 -2.618 -17.627 8.239 151 HA ALA 22 HA ALA 22 -4.404 -15.309 8.575 152 1HB ALA 22 HB1 ALA 22 -4.841 -17.461 9.711 153 2HB ALA 22 HB2 ALA 22 -4.670 -16.105 10.831 154 3HB ALA 22 HB3 ALA 22 -3.328 -17.244 10.636 155 H LYS 23 H LYS 23 -3.788 -13.341 9.556 156 HA LYS 23 HA LYS 23 -1.137 -12.565 9.402 157 1HB LYS 23 HB2 LYS 23 -1.816 -10.466 10.502 158 2HB LYS 23 HB3 LYS 23 -2.948 -11.041 9.309 159 1HG LYS 23 HG2 LYS 23 -4.228 -10.172 11.053 160 2HG LYS 23 HG3 LYS 23 -4.401 -11.920 11.109 161 1HD LYS 23 HD2 LYS 23 -4.259 -10.978 13.345 162 2HD LYS 23 HD3 LYS 23 -2.880 -12.024 13.065 163 1HE LYS 23 HE2 LYS 23 -1.455 -10.008 12.630 164 2HE LYS 23 HE3 LYS 23 -2.874 -8.977 12.929 165 1HZ LYS 23 HZ1 LYS 23 -2.955 -9.988 15.138 166 2HZ LYS 23 HZ2 LYS 23 -1.582 -10.835 14.793 167 3HZ LYS 23 HZ3 LYS 23 -1.533 -9.187 14.867 168 HA PRO 24 HA PRO 24 1.385 -14.077 12.482 169 1HB PRO 24 HB2 PRO 24 2.460 -11.776 13.781 170 2HB PRO 24 HB3 PRO 24 3.092 -12.655 12.365 171 1HG PRO 24 HG2 PRO 24 1.289 -10.237 12.426 172 2HG PRO 24 HG3 PRO 24 2.686 -10.546 11.350 173 1HD PRO 24 HD2 PRO 24 0.246 -10.912 10.400 174 2HD PRO 24 HD3 PRO 24 1.419 -12.213 10.124 175 H GLY 25 H GLY 25 1.350 -14.860 14.561 176 1HA GLY 25 HA2 GLY 25 0.791 -15.110 16.771 177 2HA GLY 25 HA3 GLY 25 0.105 -13.479 16.797 178 H THR 26 H THR 26 -1.941 -13.427 15.099 179 HA THR 26 HA THR 26 -3.901 -15.105 16.387 180 HB THR 26 HB THR 26 -4.501 -13.432 13.949 181 HG1 THR 26 HG1 THR 26 -3.783 -12.543 16.546 182 1HG2 THR 26 1HG2 THR 26 -5.883 -13.887 16.643 183 2HG2 THR 26 2HG2 THR 26 -6.491 -12.882 15.316 184 3HG2 THR 26 3HG2 THR 26 -6.326 -14.639 15.095 185 H GLN 27 H GLN 27 -3.048 -17.151 15.881 186 HA GLN 27 HA GLN 27 -2.506 -18.255 13.409 187 1HB GLN 27 HB2 GLN 27 -2.989 -20.452 14.556 188 2HB GLN 27 HB3 GLN 27 -1.977 -19.374 15.507 189 1HG GLN 27 HG2 GLN 27 -3.622 -19.006 17.102 190 2HG GLN 27 HG3 GLN 27 -4.965 -19.262 15.990 191 1HE2 GLN 27 1HE2 GLN 27 -4.947 -22.840 16.256 192 2HE2 GLN 27 2HE2 GLN 27 -5.240 -21.560 15.085 193 HA PRO 28 HA PRO 28 -6.441 -18.976 11.385 194 1HB PRO 28 HB2 PRO 28 -6.009 -21.209 9.941 195 2HB PRO 28 HB3 PRO 28 -5.102 -19.720 9.571 196 1HG PRO 28 HG2 PRO 28 -4.199 -22.042 11.314 197 2HG PRO 28 HG3 PRO 28 -3.313 -21.319 9.940 198 1HD PRO 28 HD2 PRO 28 -2.791 -20.590 12.443 199 2HD PRO 28 HD3 PRO 28 -2.852 -19.357 11.166 200 H GLN 29 H GLN 29 -7.938 -21.129 10.954 201 HA GLN 29 HA GLN 29 -7.988 -22.750 13.512 202 1HB GLN 29 HB2 GLN 29 -10.360 -21.738 11.908 203 2HB GLN 29 HB3 GLN 29 -10.439 -22.773 13.335 204 1HG GLN 29 HG2 GLN 29 -9.298 -19.929 13.334 205 2HG GLN 29 HG3 GLN 29 -10.955 -20.357 13.741 206 1HE2 GLN 29 1HE2 GLN 29 -7.984 -21.234 16.454 207 2HE2 GLN 29 2HE2 GLN 29 -7.534 -20.929 14.785 208 H THR 30 H THR 30 -8.786 -25.017 13.229 209 HA THR 30 HA THR 30 -7.642 -26.193 10.914 210 HB THR 30 HB THR 30 -9.753 -27.425 12.737 211 HG1 THR 30 HG1 THR 30 -6.982 -27.052 13.243 212 1HG2 THR 30 1HG2 THR 30 -7.286 -28.592 11.359 213 2HG2 THR 30 2HG2 THR 30 -8.389 -29.469 12.439 214 3HG2 THR 30 3HG2 THR 30 -8.977 -28.868 10.882 215 H CYS 31 H CYS 31 -8.561 -26.658 8.841 216 HA CYS 31 HA CYS 31 -11.266 -25.711 8.318 217 1HB CYS 31 HB2 CYS 31 -9.450 -25.598 6.619 218 2HB CYS 31 HB3 CYS 31 -9.426 -27.361 6.594 219 HA PRO 32 HA PRO 32 -12.818 -29.740 9.697 220 1HB PRO 32 HB2 PRO 32 -15.499 -29.300 9.603 221 2HB PRO 32 HB3 PRO 32 -14.437 -28.584 10.854 222 1HG PRO 32 HG2 PRO 32 -15.417 -27.256 8.310 223 2HG PRO 32 HG3 PRO 32 -15.470 -26.614 9.975 224 1HD PRO 32 HD2 PRO 32 -13.473 -25.971 8.246 225 2HD PRO 32 HD3 PRO 32 -13.163 -26.190 9.995 226 H THR 33 H THR 33 -13.993 -28.016 6.771 227 HA THR 33 HA THR 33 -15.286 -29.929 5.375 228 HB THR 33 HB THR 33 -13.262 -28.105 4.050 229 HG1 THR 33 HG1 THR 33 -15.682 -27.319 5.301 230 1HG2 THR 33 1HG2 THR 33 -15.112 -27.679 2.490 231 2HG2 THR 33 2HG2 THR 33 -14.769 -29.417 2.592 232 3HG2 THR 33 3HG2 THR 33 -16.181 -28.741 3.431 233 H CYS 34 H CYS 34 -11.751 -29.663 5.719 234 HA CYS 34 HA CYS 34 -11.422 -32.270 4.257 235 1HB CYS 34 HB2 CYS 34 -9.189 -31.479 3.676 236 2HB CYS 34 HB3 CYS 34 -10.441 -30.504 2.935 237 H HIS 35 H HIS 35 -11.882 -31.497 7.221 238 HA HIS 35 HA HIS 35 -11.040 -31.977 9.281 239 1HB HIS 35 HB2 HIS 35 -9.987 -34.431 7.828 240 2HB HIS 35 HB3 HIS 35 -10.290 -34.277 9.561 241 HD1 HIS 35 HD1 HIS 35 -13.261 -32.720 8.190 242 HD2 HIS 35 HD2 HIS 35 -11.727 -36.637 8.423 243 HE1 HIS 35 HE1 HIS 35 -15.235 -34.295 7.919 244 H GLY 36 H GLY 36 -9.418 -30.138 8.081 245 1HA GLY 36 HA2 GLY 36 -7.435 -29.106 8.497 246 2HA GLY 36 HA3 GLY 36 -6.994 -30.421 9.582 247 H SER 37 H SER 37 -7.545 -31.932 6.581 248 HA SER 37 HA SER 37 -4.709 -32.357 6.263 249 1HB SER 37 HB2 SER 37 -5.314 -33.677 4.313 250 2HB SER 37 HB3 SER 37 -6.359 -34.086 5.683 251 HG SER 37 HG SER 37 -8.037 -33.091 4.716 252 H GLY 38 H GLY 38 -7.051 -31.021 4.059 253 1HA GLY 38 HA2 GLY 38 -6.572 -28.683 3.086 254 2HA GLY 38 HA3 GLY 38 -5.002 -29.356 2.631 255 H GLN 39 H GLN 39 -7.440 -31.827 2.414 256 HA GLN 39 HA GLN 39 -8.033 -31.134 -0.415 257 1HB GLN 39 HB2 GLN 39 -7.602 -33.508 -0.998 258 2HB GLN 39 HB3 GLN 39 -6.161 -32.555 -0.615 259 1HG GLN 39 HG2 GLN 39 -5.876 -33.633 1.517 260 2HG GLN 39 HG3 GLN 39 -7.503 -34.332 1.469 261 1HE2 GLN 39 1HE2 GLN 39 -4.976 -35.994 -1.328 262 2HE2 GLN 39 2HE2 GLN 39 -5.022 -34.247 -1.154 263 H VAL 40 H VAL 40 -9.892 -31.955 -1.256 264 HA VAL 40 HA VAL 40 -11.911 -33.036 0.680 265 HB VAL 40 HB VAL 40 -13.555 -32.042 -0.942 266 1HG1 VAL 40 1HG1 VAL 40 -11.670 -30.072 0.388 267 2HG1 VAL 40 2HG1 VAL 40 -13.344 -29.748 -0.120 268 3HG1 VAL 40 3HG1 VAL 40 -13.019 -30.932 1.162 269 1HG2 VAL 40 1HG2 VAL 40 -12.879 -30.337 -2.528 270 2HG2 VAL 40 2HG2 VAL 40 -11.175 -30.504 -2.080 271 3HG2 VAL 40 3HG2 VAL 40 -12.007 -31.821 -2.922 272 H GLN 41 H GLN 41 -13.158 -34.795 -0.050 273 HA GLN 41 HA GLN 41 -12.215 -36.105 -2.553 274 1HB GLN 41 HB2 GLN 41 -11.818 -37.336 -0.449 275 2HB GLN 41 HB3 GLN 41 -13.576 -37.407 -0.205 276 1HG GLN 41 HG2 GLN 41 -13.768 -38.564 -2.465 277 2HG GLN 41 HG3 GLN 41 -12.008 -38.505 -2.605 278 1HE2 GLN 41 1HE2 GLN 41 -12.342 -41.855 -1.402 279 2HE2 GLN 41 2HE2 GLN 41 -12.271 -40.881 -2.868 280 H MET 42 H MET 42 -13.595 -35.709 -4.176 281 HA MET 42 HA MET 42 -16.384 -34.937 -3.731 282 1HB MET 42 HB2 MET 42 -15.055 -33.932 -5.527 283 2HB MET 42 HB3 MET 42 -14.780 -35.511 -6.266 284 1HG MET 42 HG2 MET 42 -16.528 -34.123 -7.382 285 2HG MET 42 HG3 MET 42 -17.096 -35.708 -6.881 286 1HE MET 42 HE1 MET 42 -17.180 -31.864 -6.154 287 2HE MET 42 HE2 MET 42 -18.300 -31.779 -4.773 288 3HE MET 42 HE3 MET 42 -16.687 -32.491 -4.558 289 H ARG 43 H ARG 43 -16.734 -36.887 -2.448 290 HA ARG 43 HA ARG 43 -16.695 -39.521 -3.555 291 1HB ARG 43 HB2 ARG 43 -16.489 -38.843 -1.161 292 2HB ARG 43 HB3 ARG 43 -18.236 -38.565 -1.130 293 1HG ARG 43 HG2 ARG 43 -18.642 -40.940 -1.680 294 2HG ARG 43 HG3 ARG 43 -16.905 -41.224 -1.887 295 1HD ARG 43 HD2 ARG 43 -18.230 -40.329 0.703 296 2HD ARG 43 HD3 ARG 43 -17.786 -42.004 0.307 297 HE ARG 43 HE ARG 43 -15.458 -40.487 -0.050 298 1HH1 ARG 43 1HH1 ARG 43 -17.614 -41.341 2.610 299 2HH1 ARG 43 2HH1 ARG 43 -16.379 -41.217 3.835 300 1HH2 ARG 43 1HH2 ARG 43 -14.177 -40.626 3.191 301 2HH2 ARG 43 2HH2 ARG 43 -13.844 -40.324 1.501 302 H GLN 44 H GLN 44 -17.850 -38.547 -5.573 303 HA GLN 44 HA GLN 44 -20.755 -38.415 -5.492 304 1HB GLN 44 HB2 GLN 44 -20.577 -38.051 -7.891 305 2HB GLN 44 HB3 GLN 44 -19.444 -37.043 -6.986 306 1HG GLN 44 HG2 GLN 44 -17.720 -38.979 -7.504 307 2HG GLN 44 HG3 GLN 44 -18.857 -39.405 -8.783 308 1HE2 GLN 44 1HE2 GLN 44 -16.186 -36.696 -9.680 309 2HE2 GLN 44 2HE2 GLN 44 -16.021 -38.043 -8.551 310 H GLY 45 H GLY 45 -20.426 -40.636 -4.263 311 1HA GLY 45 HA2 GLY 45 -21.162 -42.792 -4.178 312 2HA GLY 45 HA3 GLY 45 -21.758 -42.627 -5.833 313 H PHE 46 H PHE 46 -19.965 -42.668 -7.539 314 HA PHE 46 HA PHE 46 -18.311 -45.095 -7.020 315 1HB PHE 46 HB2 PHE 46 -19.016 -43.845 -9.697 316 2HB PHE 46 HB3 PHE 46 -18.329 -45.428 -9.386 317 HD1 PHE 46 HD1 PHE 46 -21.375 -43.537 -9.805 318 HD2 PHE 46 HD2 PHE 46 -19.765 -47.095 -7.963 319 HE1 PHE 46 HE1 PHE 46 -23.658 -44.474 -9.609 320 HE2 PHE 46 HE2 PHE 46 -22.055 -48.026 -7.776 321 HZ PHE 46 HZ PHE 46 -24.005 -46.718 -8.598 322 H PHE 47 H PHE 47 -17.945 -42.122 -9.007 323 HA PHE 47 HA PHE 47 -15.079 -42.445 -9.121 324 1HB PHE 47 HB2 PHE 47 -16.647 -40.016 -10.001 325 2HB PHE 47 HB3 PHE 47 -15.141 -40.644 -10.651 326 HD1 PHE 47 HD1 PHE 47 -15.370 -43.226 -11.529 327 HD2 PHE 47 HD2 PHE 47 -18.638 -40.423 -11.183 328 HE1 PHE 47 HE1 PHE 47 -16.790 -44.695 -12.933 329 HE2 PHE 47 HE2 PHE 47 -20.046 -41.901 -12.577 330 HZ PHE 47 HZ PHE 47 -19.135 -44.047 -13.439 331 H ALA 48 H ALA 48 -15.207 -42.445 -6.596 332 HA ALA 48 HA ALA 48 -15.383 -39.910 -5.264 333 1HB ALA 48 HB1 ALA 48 -14.736 -41.174 -3.279 334 2HB ALA 48 HB2 ALA 48 -15.944 -42.074 -4.213 335 3HB ALA 48 HB3 ALA 48 -14.234 -42.551 -4.287 336 H VAL 49 H VAL 49 -13.808 -39.025 -7.011 337 HA VAL 49 HA VAL 49 -10.959 -39.322 -6.337 338 HB VAL 49 HB VAL 49 -10.587 -37.681 -8.118 339 1HG1 VAL 49 1HG1 VAL 49 -12.534 -39.879 -8.883 340 2HG1 VAL 49 2HG1 VAL 49 -11.312 -39.116 -9.930 341 3HG1 VAL 49 3HG1 VAL 49 -10.807 -40.082 -8.522 342 1HG2 VAL 49 1HG2 VAL 49 -13.623 -37.573 -8.443 343 2HG2 VAL 49 2HG2 VAL 49 -12.598 -36.261 -7.828 344 3HG2 VAL 49 3HG2 VAL 49 -12.410 -36.826 -9.495 345 H GLN 50 H GLN 50 -9.790 -36.943 -6.291 346 HA GLN 50 HA GLN 50 -11.200 -35.330 -4.285 347 1HB GLN 50 HB2 GLN 50 -9.490 -35.645 -2.632 348 2HB GLN 50 HB3 GLN 50 -9.820 -37.262 -3.283 349 1HG GLN 50 HG2 GLN 50 -7.798 -37.005 -4.756 350 2HG GLN 50 HG3 GLN 50 -7.543 -35.390 -4.050 351 1HE2 GLN 50 1HE2 GLN 50 -7.166 -37.754 -0.865 352 2HE2 GLN 50 2HE2 GLN 50 -8.726 -37.430 -1.608 353 H GLN 51 H GLN 51 -10.159 -33.322 -3.762 354 HA GLN 51 HA GLN 51 -8.273 -32.273 -5.789 355 1HB GLN 51 HB2 GLN 51 -10.781 -30.697 -5.133 356 2HB GLN 51 HB3 GLN 51 -9.613 -30.452 -6.422 357 1HG GLN 51 HG2 GLN 51 -11.490 -31.246 -7.546 358 2HG GLN 51 HG3 GLN 51 -10.465 -32.675 -7.435 359 1HE2 GLN 51 1HE2 GLN 51 -13.839 -32.406 -5.004 360 2HE2 GLN 51 2HE2 GLN 51 -12.944 -30.951 -5.402 361 H THR 52 H THR 52 -7.541 -30.021 -5.091 362 HA THR 52 HA THR 52 -6.801 -29.953 -2.345 363 HB THR 52 HB THR 52 -6.930 -27.668 -4.373 364 HG1 THR 52 HG1 THR 52 -4.964 -29.688 -4.048 365 1HG2 THR 52 1HG2 THR 52 -4.875 -26.907 -3.195 366 2HG2 THR 52 2HG2 THR 52 -6.286 -26.950 -2.123 367 3HG2 THR 52 3HG2 THR 52 -5.058 -28.237 -2.030 368 H CYS 53 H CYS 53 -7.763 -28.745 -0.595 369 HA CYS 53 HA CYS 53 -10.573 -28.186 -0.886 370 1HB CYS 53 HB2 CYS 53 -9.533 -29.121 1.154 371 2HB CYS 53 HB3 CYS 53 -8.708 -27.583 1.412 372 HA PRO 54 HA PRO 54 -9.532 -23.941 -2.217 373 1HB PRO 54 HB2 PRO 54 -12.036 -22.992 -2.765 374 2HB PRO 54 HB3 PRO 54 -11.176 -24.147 -3.823 375 1HG PRO 54 HG2 PRO 54 -13.269 -24.780 -1.727 376 2HG PRO 54 HG3 PRO 54 -13.190 -25.360 -3.413 377 1HD PRO 54 HD2 PRO 54 -12.273 -26.854 -1.337 378 2HD PRO 54 HD3 PRO 54 -11.446 -26.859 -2.922 379 H HIS 55 H HIS 55 -12.076 -24.715 0.135 380 HA HIS 55 HA HIS 55 -12.606 -22.354 1.369 381 1HB HIS 55 HB2 HIS 55 -13.579 -24.641 1.799 382 2HB HIS 55 HB3 HIS 55 -12.159 -25.007 2.784 383 HD1 HIS 55 HD1 HIS 55 -14.191 -25.454 4.657 384 HD2 HIS 55 HD2 HIS 55 -13.499 -21.487 3.393 385 HE1 HIS 55 HE1 HIS 55 -15.348 -23.929 6.331 386 H CYS 56 H CYS 56 -9.638 -24.238 1.730 387 HA CYS 56 HA CYS 56 -8.455 -22.058 3.417 388 1HB CYS 56 HB2 CYS 56 -7.119 -23.867 4.500 389 2HB CYS 56 HB3 CYS 56 -8.831 -23.862 4.916 390 H GLN 57 H GLN 57 -8.445 -22.739 0.398 391 HA GLN 57 HA GLN 57 -6.938 -22.909 -1.318 392 1HB GLN 57 HB2 GLN 57 -5.278 -21.225 0.608 393 2HB GLN 57 HB3 GLN 57 -5.065 -21.300 -1.144 394 1HG GLN 57 HG2 GLN 57 -7.590 -20.264 0.237 395 2HG GLN 57 HG3 GLN 57 -6.262 -19.278 -0.364 396 1HE2 GLN 57 1HE2 GLN 57 -8.977 -20.736 -3.034 397 2HE2 GLN 57 2HE2 GLN 57 -9.078 -21.215 -1.344 398 H GLY 58 H GLY 58 -6.834 -25.229 0.225 399 1HA GLY 58 HA2 GLY 58 -5.568 -27.134 0.341 400 2HA GLY 58 HA3 GLY 58 -4.294 -26.321 -0.577 401 H ARG 59 H ARG 59 -4.884 -24.463 2.206 402 HA ARG 59 HA ARG 59 -2.386 -25.340 3.443 403 1HB ARG 59 HB2 ARG 59 -4.457 -23.299 4.348 404 2HB ARG 59 HB3 ARG 59 -2.808 -23.435 4.934 405 1HG ARG 59 HG2 ARG 59 -3.448 -22.740 2.023 406 2HG ARG 59 HG3 ARG 59 -3.323 -21.564 3.320 407 1HD ARG 59 HD2 ARG 59 -1.198 -21.571 2.350 408 2HD ARG 59 HD3 ARG 59 -1.024 -22.481 3.854 409 HE ARG 59 HE ARG 59 -1.613 -24.174 1.572 410 1HH1 ARG 59 1HH1 ARG 59 0.035 -25.375 0.592 411 2HH1 ARG 59 2HH1 ARG 59 1.716 -25.061 0.938 412 1HH2 ARG 59 1HH2 ARG 59 2.272 -23.337 2.446 413 2HH2 ARG 59 2HH2 ARG 59 1.007 -22.428 3.228 414 H GLY 60 H GLY 60 -5.599 -26.403 3.736 415 1HA GLY 60 HA2 GLY 60 -6.660 -27.776 5.284 416 2HA GLY 60 HA3 GLY 60 -5.121 -27.946 6.121 417 H THR 61 H THR 61 -5.429 -24.673 6.027 418 HA THR 61 HA THR 61 -6.755 -24.484 8.663 419 HB THR 61 HB THR 61 -5.041 -22.494 8.616 420 HG1 THR 61 HG1 THR 61 -3.682 -24.457 7.073 421 1HG2 THR 61 1HG2 THR 61 -5.096 -24.249 10.327 422 2HG2 THR 61 2HG2 THR 61 -4.321 -25.398 9.211 423 3HG2 THR 61 3HG2 THR 61 -3.422 -23.984 9.805 424 H LEU 62 H LEU 62 -8.374 -23.171 8.821 425 HA LEU 62 HA LEU 62 -9.428 -21.513 6.700 426 1HB LEU 62 HB2 LEU 62 -10.099 -21.546 9.671 427 2HB LEU 62 HB3 LEU 62 -11.045 -20.774 8.397 428 HG LEU 62 HG LEU 62 -10.541 -23.742 8.741 429 1HD1 LEU 62 1HD1 LEU 62 -12.972 -23.807 9.285 430 2HD1 LEU 62 2HD1 LEU 62 -12.065 -22.798 10.421 431 3HD1 LEU 62 3HD1 LEU 62 -13.039 -22.040 9.143 432 1HD2 LEU 62 1HD2 LEU 62 -12.189 -22.212 6.669 433 2HD2 LEU 62 2HD2 LEU 62 -10.809 -23.283 6.346 434 3HD2 LEU 62 3HD2 LEU 62 -12.326 -23.959 6.945 435 H ILE 63 H ILE 63 -8.582 -19.681 6.184 436 HA ILE 63 HA ILE 63 -6.641 -18.222 7.713 437 HB ILE 63 HB ILE 63 -8.122 -17.490 5.151 438 1HG1 ILE 63 2HG1 ILE 63 -7.089 -19.619 4.727 439 2HG1 ILE 63 3HG1 ILE 63 -6.098 -18.370 3.994 440 1HG2 ILE 63 1HG2 ILE 63 -7.034 -15.553 6.039 441 2HG2 ILE 63 2HG2 ILE 63 -5.583 -16.463 6.454 442 3HG2 ILE 63 3HG2 ILE 63 -5.996 -16.166 4.750 443 1HD1 ILE 63 1HD1 ILE 63 -4.604 -18.490 6.064 444 2HD1 ILE 63 2HD1 ILE 63 -5.520 -19.922 6.551 445 3HD1 ILE 63 3HD1 ILE 63 -4.621 -19.928 5.027 446 H LYS 64 H LYS 64 -7.993 -18.065 9.581 447 HA LYS 64 HA LYS 64 -10.312 -16.779 10.089 448 1HB LYS 64 HB2 LYS 64 -8.808 -17.838 11.731 449 2HB LYS 64 HB3 LYS 64 -7.677 -16.483 11.590 450 1HG LYS 64 HG2 LYS 64 -9.445 -14.955 12.472 451 2HG LYS 64 HG3 LYS 64 -10.528 -16.350 12.676 452 1HD LYS 64 HD2 LYS 64 -8.878 -17.411 14.203 453 2HD LYS 64 HD3 LYS 64 -7.755 -16.078 13.944 454 1HE LYS 64 HE2 LYS 64 -10.504 -15.883 15.271 455 2HE LYS 64 HE3 LYS 64 -8.932 -15.829 16.085 456 1HZ LYS 64 HZ1 LYS 64 -8.451 -13.836 14.778 457 2HZ LYS 64 HZ2 LYS 64 -9.984 -13.856 14.188 458 3HZ LYS 64 HZ3 LYS 64 -9.733 -13.648 15.801 459 H ASP 65 H ASP 65 -7.186 -15.080 9.633 460 HA ASP 65 HA ASP 65 -8.582 -12.556 8.927 461 1HB ASP 65 HB2 ASP 65 -6.783 -11.445 10.486 462 2HB ASP 65 HB3 ASP 65 -8.371 -11.954 11.051 463 HA PRO 66 HA PRO 66 -5.584 -13.752 5.728 464 1HB PRO 66 HB2 PRO 66 -6.735 -11.141 4.732 465 2HB PRO 66 HB3 PRO 66 -6.236 -12.566 3.773 466 1HG PRO 66 HG2 PRO 66 -8.839 -12.270 4.434 467 2HG PRO 66 HG3 PRO 66 -8.066 -13.866 4.658 468 1HD PRO 66 HD2 PRO 66 -8.642 -11.751 6.733 469 2HD PRO 66 HD3 PRO 66 -8.832 -13.528 6.844 470 H CYS 67 H CYS 67 -3.515 -13.529 5.792 471 HA CYS 67 HA CYS 67 -2.047 -11.282 6.883 472 1HB CYS 67 HB2 CYS 67 -1.274 -13.589 7.121 473 2HB CYS 67 HB3 CYS 67 -1.267 -13.798 5.374 474 H ASN 68 H ASN 68 -2.689 -9.565 5.618 475 HA ASN 68 HA ASN 68 -3.082 -9.132 3.009 476 1HB ASN 68 HB2 ASN 68 -2.358 -6.856 3.269 477 2HB ASN 68 HB3 ASN 68 -3.200 -7.385 4.730 478 1HD2 ASN 68 1HD2 ASN 68 -0.017 -5.466 5.564 479 2HD2 ASN 68 2HD2 ASN 68 -1.351 -5.110 4.482 480 H LYS 69 H LYS 69 0.205 -9.223 4.397 481 HA LYS 69 HA LYS 69 1.824 -8.611 2.297 482 1HB LYS 69 HB2 LYS 69 2.543 -9.207 4.581 483 2HB LYS 69 HB3 LYS 69 2.250 -10.920 4.224 484 1HG LYS 69 HG2 LYS 69 3.967 -10.857 2.439 485 2HG LYS 69 HG3 LYS 69 4.203 -9.120 2.723 486 1HD LYS 69 HD2 LYS 69 5.002 -9.578 5.009 487 2HD LYS 69 HD3 LYS 69 4.617 -11.297 4.822 488 1HE LYS 69 HE2 LYS 69 7.021 -10.951 4.542 489 2HE LYS 69 HE3 LYS 69 6.306 -11.514 3.026 490 1HZ LYS 69 HZ1 LYS 69 7.837 -9.714 2.702 491 2HZ LYS 69 HZ2 LYS 69 6.322 -9.257 2.251 492 3HZ LYS 69 HZ3 LYS 69 6.954 -8.721 3.676 493 H CYS 70 H CYS 70 0.191 -11.772 2.743 494 HA CYS 70 HA CYS 70 1.049 -12.580 -0.034 495 1HB CYS 70 HB2 CYS 70 0.873 -14.887 0.750 496 2HB CYS 70 HB3 CYS 70 2.065 -14.011 1.705 497 H HIS 71 H HIS 71 -1.400 -11.079 1.240 498 HA HIS 71 HA HIS 71 -3.663 -11.043 1.085 499 1HB HIS 71 HB2 HIS 71 -3.181 -12.687 -1.429 500 2HB HIS 71 HB3 HIS 71 -4.622 -11.740 -1.056 501 HD1 HIS 71 HD1 HIS 71 -1.888 -9.516 -0.082 502 HD2 HIS 71 HD2 HIS 71 -3.588 -10.888 -3.686 503 HE1 HIS 71 HE1 HIS 71 -1.227 -7.849 -1.883 504 H GLY 72 H GLY 72 -2.552 -13.109 2.749 505 1HA GLY 72 HA2 GLY 72 -3.223 -14.903 3.932 506 2HA GLY 72 HA3 GLY 72 -4.848 -14.700 3.258 507 H HIS 73 H HIS 73 -2.337 -15.260 0.869 508 HA HIS 73 HA HIS 73 -3.488 -17.822 0.188 509 1HB HIS 73 HB2 HIS 73 -2.634 -16.165 -1.457 510 2HB HIS 73 HB3 HIS 73 -0.990 -16.440 -0.862 511 HD1 HIS 73 HD1 HIS 73 0.268 -18.023 -2.450 512 HD2 HIS 73 HD2 HIS 73 -3.857 -18.832 -2.142 513 HE1 HIS 73 HE1 HIS 73 -0.213 -20.016 -3.982 514 H GLY 74 H GLY 74 -0.763 -16.785 2.083 515 1HA GLY 74 HA2 GLY 74 0.305 -18.104 3.727 516 2HA GLY 74 HA3 GLY 74 -0.166 -19.577 2.881 517 H ARG 75 H ARG 75 0.816 -18.655 0.253 518 HA ARG 75 HA ARG 75 3.739 -18.570 0.698 519 1HB ARG 75 HB2 ARG 75 4.134 -20.289 -0.932 520 2HB ARG 75 HB3 ARG 75 3.241 -20.923 0.445 521 1HG ARG 75 HG2 ARG 75 2.033 -20.284 -2.295 522 2HG ARG 75 HG3 ARG 75 2.558 -21.865 -1.711 523 1HD ARG 75 HD2 ARG 75 0.874 -21.492 0.250 524 2HD ARG 75 HD3 ARG 75 0.174 -20.255 -0.811 525 HE ARG 75 HE ARG 75 0.543 -22.742 -2.199 526 1HH1 ARG 75 1HH1 ARG 75 -1.687 -21.058 0.069 527 2HH1 ARG 75 2HH1 ARG 75 -2.931 -22.276 -0.179 528 1HH2 ARG 75 1HH2 ARG 75 -1.247 -24.214 -2.488 529 2HH2 ARG 75 2HH2 ARG 75 -2.713 -23.930 -1.552 530 H VAL 76 H VAL 76 4.894 -17.517 -0.902 531 HA VAL 76 HA VAL 76 3.277 -16.085 -2.979 532 HB VAL 76 HB VAL 76 4.658 -14.095 -2.518 533 1HG1 VAL 76 1HG1 VAL 76 3.180 -15.081 -0.051 534 2HG1 VAL 76 2HG1 VAL 76 3.492 -13.391 -0.496 535 3HG1 VAL 76 3HG1 VAL 76 2.405 -14.381 -1.491 536 1HG2 VAL 76 1HG2 VAL 76 6.635 -15.117 -1.429 537 2HG2 VAL 76 2HG2 VAL 76 5.909 -13.875 -0.408 538 3HG2 VAL 76 3HG2 VAL 76 5.644 -15.580 -0.022 539 H GLU 77 H GLU 77 4.342 -15.707 -4.954 540 HA GLU 77 HA GLU 77 6.565 -17.539 -5.466 541 1HB GLU 77 HB2 GLU 77 4.669 -17.264 -7.051 542 2HB GLU 77 HB3 GLU 77 5.186 -15.591 -7.354 543 1HG GLU 77 HG2 GLU 77 7.327 -16.377 -8.260 544 2HG GLU 77 HG3 GLU 77 6.961 -18.044 -7.780 545 H ARG 78 H ARG 78 8.661 -16.987 -5.818 546 HA ARG 78 HA ARG 78 9.697 -14.524 -4.781 547 1HB ARG 78 HB2 ARG 78 10.793 -16.787 -4.728 548 2HB ARG 78 HB3 ARG 78 11.091 -16.647 -6.460 549 1HG ARG 78 HG2 ARG 78 12.478 -14.633 -6.086 550 2HG ARG 78 HG3 ARG 78 12.074 -14.643 -4.361 551 1HD ARG 78 HD2 ARG 78 13.246 -16.826 -4.097 552 2HD ARG 78 HD3 ARG 78 13.552 -16.862 -5.834 553 HE ARG 78 HE ARG 78 15.277 -15.411 -5.630 554 1HH1 ARG 78 1HH1 ARG 78 13.435 -15.301 -2.585 555 2HH1 ARG 78 2HH1 ARG 78 14.622 -14.328 -1.768 556 1HH2 ARG 78 1HH2 ARG 78 16.808 -14.145 -4.549 557 2HH2 ARG 78 2HH2 ARG 78 16.563 -13.661 -2.894 558 H SER 79 H SER 79 8.293 -13.209 -6.145 559 HA SER 79 HA SER 79 8.554 -12.958 -8.962 560 1HB SER 79 HB2 SER 79 7.579 -10.923 -6.906 561 2HB SER 79 HB3 SER 79 7.193 -10.954 -8.635 562 HG SER 79 HG SER 79 6.545 -13.024 -6.751 Start of MODEL 19 1 H GLY 1 H GLY 1 25.063 -13.292 -7.509 2 1HA GLY 1 HA2 GLY 1 26.243 -14.149 -9.624 3 2HA GLY 1 HA3 GLY 1 26.370 -15.693 -8.754 4 H VAL 2 H VAL 2 24.084 -16.142 -7.581 5 HA VAL 2 HA VAL 2 22.141 -16.678 -9.651 6 HB VAL 2 HB VAL 2 20.696 -17.425 -7.821 7 1HG1 VAL 2 1HG1 VAL 2 23.570 -18.377 -7.445 8 2HG1 VAL 2 2HG1 VAL 2 22.092 -19.254 -7.013 9 3HG1 VAL 2 3HG1 VAL 2 22.456 -18.924 -8.715 10 1HG2 VAL 2 1HG2 VAL 2 21.453 -17.406 -5.480 11 2HG2 VAL 2 2HG2 VAL 2 22.861 -16.423 -5.909 12 3HG2 VAL 2 3HG2 VAL 2 21.220 -15.760 -6.077 13 H THR 3 H THR 3 22.854 -13.949 -7.637 14 HA THR 3 HA THR 3 20.361 -12.534 -7.701 15 HB THR 3 HB THR 3 22.038 -10.707 -7.015 16 HG1 THR 3 HG1 THR 3 23.772 -11.538 -8.162 17 1HG2 THR 3 1HG2 THR 3 22.633 -11.721 -4.865 18 2HG2 THR 3 2HG2 THR 3 20.971 -12.165 -5.302 19 3HG2 THR 3 3HG2 THR 3 22.287 -13.345 -5.483 20 H LYS 4 H LYS 4 20.143 -13.151 -10.133 21 HA LYS 4 HA LYS 4 21.167 -10.887 -11.781 22 1HB LYS 4 HB2 LYS 4 21.731 -12.367 -13.611 23 2HB LYS 4 HB3 LYS 4 22.662 -12.760 -12.174 24 1HG LYS 4 HG2 LYS 4 21.152 -14.651 -11.660 25 2HG LYS 4 HG3 LYS 4 20.230 -14.353 -13.136 26 1HD LYS 4 HD2 LYS 4 23.203 -15.038 -12.965 27 2HD LYS 4 HD3 LYS 4 21.901 -16.176 -13.335 28 1HE LYS 4 HE2 LYS 4 21.321 -14.813 -15.372 29 2HE LYS 4 HE3 LYS 4 22.731 -13.781 -15.045 30 1HZ LYS 4 HZ1 LYS 4 24.116 -15.701 -15.242 31 2HZ LYS 4 HZ2 LYS 4 22.815 -16.663 -15.560 32 3HZ LYS 4 HZ3 LYS 4 23.235 -15.470 -16.616 33 H GLU 5 H GLU 5 19.843 -12.174 -14.150 34 HA GLU 5 HA GLU 5 17.264 -10.931 -13.804 35 1HB GLU 5 HB2 GLU 5 18.428 -12.600 -16.075 36 2HB GLU 5 HB3 GLU 5 16.946 -11.646 -16.148 37 1HG GLU 5 HG2 GLU 5 18.262 -9.573 -15.665 38 2HG GLU 5 HG3 GLU 5 19.753 -10.526 -15.666 39 H ILE 6 H ILE 6 17.002 -12.636 -11.845 40 HA ILE 6 HA ILE 6 15.926 -15.225 -12.689 41 HB ILE 6 HB ILE 6 15.387 -15.499 -10.282 42 1HG1 ILE 6 2HG1 ILE 6 16.974 -12.933 -9.810 43 2HG1 ILE 6 3HG1 ILE 6 15.208 -12.982 -9.764 44 1HG2 ILE 6 1HG2 ILE 6 18.258 -14.734 -10.947 45 2HG2 ILE 6 2HG2 ILE 6 17.734 -15.846 -9.663 46 3HG2 ILE 6 3HG2 ILE 6 17.475 -16.274 -11.351 47 1HD1 ILE 6 1HD1 ILE 6 17.095 -14.551 -7.958 48 2HD1 ILE 6 2HD1 ILE 6 16.082 -13.172 -7.520 49 3HD1 ILE 6 3HD1 ILE 6 15.323 -14.713 -7.971 50 H ARG 7 H ARG 7 14.539 -13.807 -14.237 51 HA ARG 7 HA ARG 7 12.003 -12.864 -13.077 52 1HB ARG 7 HB2 ARG 7 12.947 -13.267 -15.943 53 2HB ARG 7 HB3 ARG 7 11.339 -12.679 -15.483 54 1HG ARG 7 HG2 ARG 7 12.381 -10.805 -14.217 55 2HG ARG 7 HG3 ARG 7 13.980 -11.315 -14.788 56 1HD ARG 7 HD2 ARG 7 11.638 -10.598 -16.615 57 2HD ARG 7 HD3 ARG 7 12.860 -9.438 -16.130 58 HE ARG 7 HE ARG 7 13.130 -11.700 -18.004 59 1HH1 ARG 7 1HH1 ARG 7 14.884 -9.228 -16.136 60 2HH1 ARG 7 2HH1 ARG 7 16.290 -9.298 -17.183 61 1HH2 ARG 7 1HH2 ARG 7 16.378 -10.725 -18.921 62 2HH2 ARG 7 2HH2 ARG 7 15.024 -11.767 -19.311 63 H ILE 8 H ILE 8 11.991 -15.019 -11.899 64 HA ILE 8 HA ILE 8 10.209 -16.912 -13.328 65 HB ILE 8 HB ILE 8 11.365 -18.728 -11.936 66 1HG1 ILE 8 2HG1 ILE 8 13.711 -16.801 -11.890 67 2HG1 ILE 8 3HG1 ILE 8 12.625 -17.014 -10.513 68 1HG2 ILE 8 1HG2 ILE 8 11.599 -18.471 -14.406 69 2HG2 ILE 8 2HG2 ILE 8 13.013 -17.429 -14.151 70 3HG2 ILE 8 3HG2 ILE 8 13.055 -19.133 -13.657 71 1HD1 ILE 8 1HD1 ILE 8 14.581 -18.400 -10.209 72 2HD1 ILE 8 2HD1 ILE 8 13.164 -19.438 -10.456 73 3HD1 ILE 8 3HD1 ILE 8 14.335 -19.192 -11.775 74 HA PRO 9 HA PRO 9 7.786 -16.129 -9.741 75 1HB PRO 9 HB2 PRO 9 6.176 -18.292 -9.504 76 2HB PRO 9 HB3 PRO 9 6.108 -17.192 -10.907 77 1HG PRO 9 HG2 PRO 9 7.637 -19.800 -10.703 78 2HG PRO 9 HG3 PRO 9 6.477 -19.318 -11.980 79 1HD PRO 9 HD2 PRO 9 9.155 -19.015 -12.302 80 2HD PRO 9 HD3 PRO 9 8.019 -17.775 -12.904 81 H THR 10 H THR 10 9.934 -16.196 -8.500 82 HA THR 10 HA THR 10 10.635 -18.586 -7.061 83 HB THR 10 HB THR 10 11.463 -15.780 -6.288 84 HG1 THR 10 HG1 THR 10 11.843 -15.728 -8.389 85 1HG2 THR 10 1HG2 THR 10 12.960 -18.436 -6.350 86 2HG2 THR 10 2HG2 THR 10 13.585 -16.881 -5.762 87 3HG2 THR 10 3HG2 THR 10 12.269 -17.687 -4.892 88 H LEU 11 H LEU 11 8.236 -18.852 -6.401 89 HA LEU 11 HA LEU 11 7.227 -17.228 -4.255 90 1HB LEU 11 HB2 LEU 11 6.491 -20.007 -5.210 91 2HB LEU 11 HB3 LEU 11 5.660 -19.175 -3.893 92 HG LEU 11 HG LEU 11 5.832 -18.187 -6.773 93 1HD1 LEU 11 1HD1 LEU 11 4.351 -20.142 -6.402 94 2HD1 LEU 11 2HD1 LEU 11 3.515 -19.256 -5.108 95 3HD1 LEU 11 3HD1 LEU 11 3.418 -18.683 -6.788 96 1HD2 LEU 11 1HD2 LEU 11 4.073 -16.524 -5.926 97 2HD2 LEU 11 2HD2 LEU 11 4.560 -16.969 -4.275 98 3HD2 LEU 11 3HD2 LEU 11 5.719 -16.219 -5.386 99 H GLU 12 H GLU 12 7.861 -17.111 -2.241 100 HA GLU 12 HA GLU 12 9.010 -19.523 -0.901 101 1HB GLU 12 HB2 GLU 12 10.040 -16.664 -0.747 102 2HB GLU 12 HB3 GLU 12 10.512 -18.008 0.318 103 1HG GLU 12 HG2 GLU 12 11.289 -19.301 -1.689 104 2HG GLU 12 HG3 GLU 12 10.949 -17.883 -2.694 105 H GLU 13 H GLU 13 8.642 -19.655 1.273 106 HA GLU 13 HA GLU 13 6.077 -19.077 2.151 107 1HB GLU 13 HB2 GLU 13 6.765 -20.015 4.239 108 2HB GLU 13 HB3 GLU 13 7.594 -20.894 2.959 109 1HG GLU 13 HG2 GLU 13 8.741 -18.845 4.912 110 2HG GLU 13 HG3 GLU 13 9.108 -20.558 4.801 111 H CYS 14 H CYS 14 5.089 -17.383 3.220 112 HA CYS 14 HA CYS 14 6.663 -14.956 3.785 113 1HB CYS 14 HB2 CYS 14 4.385 -14.742 2.955 114 2HB CYS 14 HB3 CYS 14 3.806 -15.728 4.290 115 H ASP 15 H ASP 15 8.096 -15.376 5.391 116 HA ASP 15 HA ASP 15 8.002 -17.153 7.493 117 1HB ASP 15 HB2 ASP 15 9.755 -15.852 8.519 118 2HB ASP 15 HB3 ASP 15 10.002 -15.863 6.769 119 H VAL 16 H VAL 16 6.746 -13.847 7.420 120 HA VAL 16 HA VAL 16 6.024 -13.467 10.111 121 HB VAL 16 HB VAL 16 4.643 -12.457 7.591 122 1HG1 VAL 16 1HG1 VAL 16 4.668 -11.349 10.418 123 2HG1 VAL 16 2HG1 VAL 16 3.947 -10.565 8.992 124 3HG1 VAL 16 3HG1 VAL 16 3.284 -12.094 9.580 125 1HG2 VAL 16 1HG2 VAL 16 6.960 -11.335 9.236 126 2HG2 VAL 16 2HG2 VAL 16 7.025 -11.850 7.539 127 3HG2 VAL 16 3HG2 VAL 16 6.084 -10.428 7.992 128 H CYS 17 H CYS 17 4.353 -15.449 7.661 129 HA CYS 17 HA CYS 17 2.389 -16.234 9.804 130 1HB CYS 17 HB2 CYS 17 0.832 -16.771 8.076 131 2HB CYS 17 HB3 CYS 17 1.244 -15.053 8.076 132 H HIS 18 H HIS 18 5.207 -17.200 8.892 133 HA HIS 18 HA HIS 18 6.311 -19.137 8.583 134 1HB HIS 18 HB2 HIS 18 3.941 -20.331 10.057 135 2HB HIS 18 HB3 HIS 18 5.573 -21.001 9.960 136 HD1 HIS 18 HD1 HIS 18 6.431 -17.595 10.620 137 HD2 HIS 18 HD2 HIS 18 4.488 -20.632 12.801 138 HE1 HIS 18 HE1 HIS 18 6.640 -16.978 13.077 139 H GLY 19 H GLY 19 4.747 -18.387 6.333 140 1HA GLY 19 HA2 GLY 19 4.376 -19.368 4.274 141 2HA GLY 19 HA3 GLY 19 4.740 -20.942 4.953 142 H SER 20 H SER 20 2.246 -19.744 6.916 143 HA SER 20 HA SER 20 0.391 -21.596 5.613 144 1HB SER 20 HB2 SER 20 -1.096 -21.120 7.457 145 2HB SER 20 HB3 SER 20 0.520 -21.502 8.058 146 HG SER 20 HG SER 20 0.830 -19.367 8.564 147 H GLY 21 H GLY 21 0.000 -18.330 6.713 148 1HA GLY 21 HA2 GLY 21 -0.723 -16.578 4.864 149 2HA GLY 21 HA3 GLY 21 -2.106 -17.674 4.726 150 H ALA 22 H ALA 22 -1.369 -18.122 7.878 151 HA ALA 22 HA ALA 22 -3.505 -16.466 8.827 152 1HB ALA 22 HB1 ALA 22 -2.958 -17.533 10.973 153 2HB ALA 22 HB2 ALA 22 -3.011 -18.721 9.649 154 3HB ALA 22 HB3 ALA 22 -1.449 -18.167 10.290 155 H LYS 23 H LYS 23 -3.388 -14.464 9.618 156 HA LYS 23 HA LYS 23 -1.326 -12.714 9.540 157 1HB LYS 23 HB2 LYS 23 -3.694 -12.207 9.854 158 2HB LYS 23 HB3 LYS 23 -3.639 -12.834 11.506 159 1HG LYS 23 HG2 LYS 23 -2.027 -10.965 12.078 160 2HG LYS 23 HG3 LYS 23 -2.347 -10.293 10.457 161 1HD LYS 23 HD2 LYS 23 -4.398 -10.810 12.657 162 2HD LYS 23 HD3 LYS 23 -3.713 -9.242 12.214 163 1HE LYS 23 HE2 LYS 23 -4.680 -9.525 9.889 164 2HE LYS 23 HE3 LYS 23 -5.494 -10.997 10.451 165 1HZ LYS 23 HZ1 LYS 23 -6.922 -9.123 10.567 166 2HZ LYS 23 HZ2 LYS 23 -6.624 -9.692 12.084 167 3HZ LYS 23 HZ3 LYS 23 -5.884 -8.316 11.560 168 HA PRO 24 HA PRO 24 1.656 -13.833 12.612 169 1HB PRO 24 HB2 PRO 24 2.538 -11.336 13.492 170 2HB PRO 24 HB3 PRO 24 3.077 -12.201 12.030 171 1HG PRO 24 HG2 PRO 24 0.939 -10.073 12.261 172 2HG PRO 24 HG3 PRO 24 2.248 -10.170 11.048 173 1HD PRO 24 HD2 PRO 24 -0.219 -10.978 10.439 174 2HD PRO 24 HD3 PRO 24 1.127 -12.012 9.927 175 H GLY 25 H GLY 25 1.710 -14.156 14.864 176 1HA GLY 25 HA2 GLY 25 0.883 -14.355 16.981 177 2HA GLY 25 HA3 GLY 25 0.498 -12.629 16.885 178 H THR 26 H THR 26 -1.005 -14.861 14.591 179 HA THR 26 HA THR 26 -3.508 -15.037 16.142 180 HB THR 26 HB THR 26 -3.451 -14.234 13.225 181 HG1 THR 26 HG1 THR 26 -2.319 -12.611 14.394 182 1HG2 THR 26 1HG2 THR 26 -5.499 -13.839 15.451 183 2HG2 THR 26 2HG2 THR 26 -5.664 -13.224 13.800 184 3HG2 THR 26 3HG2 THR 26 -5.648 -14.968 14.083 185 H GLN 27 H GLN 27 -4.969 -16.728 14.825 186 HA GLN 27 HA GLN 27 -3.228 -18.736 13.514 187 1HB GLN 27 HB2 GLN 27 -4.429 -20.497 14.863 188 2HB GLN 27 HB3 GLN 27 -3.268 -19.488 15.716 189 1HG GLN 27 HG2 GLN 27 -5.136 -19.830 17.149 190 2HG GLN 27 HG3 GLN 27 -5.112 -18.134 16.693 191 1HE2 GLN 27 1HE2 GLN 27 -8.105 -20.574 15.120 192 2HE2 GLN 27 2HE2 GLN 27 -6.511 -21.241 15.361 193 HA PRO 28 HA PRO 28 -6.791 -19.050 10.813 194 1HB PRO 28 HB2 PRO 28 -6.200 -21.135 9.353 195 2HB PRO 28 HB3 PRO 28 -5.098 -19.728 9.319 196 1HG PRO 28 HG2 PRO 28 -4.769 -22.293 10.922 197 2HG PRO 28 HG3 PRO 28 -3.531 -21.459 9.939 198 1HD PRO 28 HD2 PRO 28 -3.857 -21.155 12.688 199 2HD PRO 28 HD3 PRO 28 -3.138 -19.912 11.638 200 H GLN 29 H GLN 29 -8.558 -20.708 10.281 201 HA GLN 29 HA GLN 29 -9.048 -22.381 12.743 202 1HB GLN 29 HB2 GLN 29 -11.149 -21.488 10.776 203 2HB GLN 29 HB3 GLN 29 -11.329 -22.097 12.416 204 1HG GLN 29 HG2 GLN 29 -10.281 -19.411 11.478 205 2HG GLN 29 HG3 GLN 29 -11.723 -19.711 12.451 206 1HE2 GLN 29 1HE2 GLN 29 -8.651 -18.467 14.466 207 2HE2 GLN 29 2HE2 GLN 29 -9.240 -17.967 12.903 208 H THR 30 H THR 30 -8.974 -24.593 12.556 209 HA THR 30 HA THR 30 -8.228 -25.961 10.316 210 HB THR 30 HB THR 30 -10.168 -27.042 12.412 211 HG1 THR 30 HG1 THR 30 -8.290 -27.203 13.742 212 1HG2 THR 30 1HG2 THR 30 -9.385 -28.623 10.672 213 2HG2 THR 30 2HG2 THR 30 -7.695 -28.228 11.068 214 3HG2 THR 30 3HG2 THR 30 -8.726 -29.047 12.261 215 H CYS 31 H CYS 31 -9.278 -26.373 8.334 216 HA CYS 31 HA CYS 31 -11.981 -25.578 7.910 217 1HB CYS 31 HB2 CYS 31 -10.256 -25.698 6.128 218 2HB CYS 31 HB3 CYS 31 -10.253 -27.451 6.289 219 HA PRO 32 HA PRO 32 -13.499 -29.402 9.813 220 1HB PRO 32 HB2 PRO 32 -16.177 -28.945 9.817 221 2HB PRO 32 HB3 PRO 32 -15.031 -28.081 10.891 222 1HG PRO 32 HG2 PRO 32 -16.153 -27.096 8.249 223 2HG PRO 32 HG3 PRO 32 -16.116 -26.235 9.813 224 1HD PRO 32 HD2 PRO 32 -14.211 -25.859 7.904 225 2HD PRO 32 HD3 PRO 32 -13.803 -25.828 9.644 226 H THR 33 H THR 33 -14.773 -28.084 6.717 227 HA THR 33 HA THR 33 -16.141 -30.152 5.658 228 HB THR 33 HB THR 33 -14.130 -28.578 4.029 229 HG1 THR 33 HG1 THR 33 -16.509 -27.524 5.151 230 1HG2 THR 33 1HG2 THR 33 -17.082 -29.226 3.597 231 2HG2 THR 33 2HG2 THR 33 -16.026 -28.333 2.482 232 3HG2 THR 33 3HG2 THR 33 -15.714 -30.047 2.818 233 H CYS 34 H CYS 34 -12.580 -29.878 5.802 234 HA CYS 34 HA CYS 34 -12.333 -32.675 4.714 235 1HB CYS 34 HB2 CYS 34 -10.052 -31.982 4.067 236 2HB CYS 34 HB3 CYS 34 -11.308 -31.179 3.156 237 H HIS 35 H HIS 35 -12.698 -31.463 7.578 238 HA HIS 35 HA HIS 35 -11.825 -31.718 9.666 239 1HB HIS 35 HB2 HIS 35 -10.831 -34.355 8.515 240 2HB HIS 35 HB3 HIS 35 -11.108 -33.985 10.217 241 HD1 HIS 35 HD1 HIS 35 -14.083 -32.575 8.712 242 HD2 HIS 35 HD2 HIS 35 -12.576 -36.453 9.382 243 HE1 HIS 35 HE1 HIS 35 -16.074 -34.154 8.648 244 H GLY 36 H GLY 36 -10.204 -30.101 8.115 245 1HA GLY 36 HA2 GLY 36 -8.164 -29.088 8.228 246 2HA GLY 36 HA3 GLY 36 -7.729 -30.178 9.548 247 H SER 37 H SER 37 -8.418 -32.280 6.991 248 HA SER 37 HA SER 37 -5.643 -32.909 6.680 249 1HB SER 37 HB2 SER 37 -6.365 -34.500 5.008 250 2HB SER 37 HB3 SER 37 -7.468 -34.571 6.394 251 HG SER 37 HG SER 37 -9.019 -33.581 5.210 252 H GLY 38 H GLY 38 -7.964 -31.302 4.620 253 1HA GLY 38 HA2 GLY 38 -7.338 -29.367 3.221 254 2HA GLY 38 HA3 GLY 38 -5.812 -30.172 2.850 255 H GLN 39 H GLN 39 -8.289 -32.571 2.946 256 HA GLN 39 HA GLN 39 -8.966 -32.147 0.089 257 1HB GLN 39 HB2 GLN 39 -8.521 -34.518 -0.368 258 2HB GLN 39 HB3 GLN 39 -7.064 -33.588 0.005 259 1HG GLN 39 HG2 GLN 39 -7.003 -34.500 2.280 260 2HG GLN 39 HG3 GLN 39 -8.529 -35.364 2.007 261 1HE2 GLN 39 1HE2 GLN 39 -6.047 -37.969 1.515 262 2HE2 GLN 39 2HE2 GLN 39 -6.842 -37.099 2.818 263 H VAL 40 H VAL 40 -10.835 -32.913 -0.592 264 HA VAL 40 HA VAL 40 -12.882 -33.764 1.421 265 HB VAL 40 HB VAL 40 -14.444 -33.164 -0.492 266 1HG1 VAL 40 1HG1 VAL 40 -14.316 -30.751 -0.241 267 2HG1 VAL 40 2HG1 VAL 40 -14.119 -31.579 1.323 268 3HG1 VAL 40 3HG1 VAL 40 -12.702 -30.888 0.496 269 1HG2 VAL 40 1HG2 VAL 40 -12.055 -31.751 -1.745 270 2HG2 VAL 40 2HG2 VAL 40 -12.624 -33.342 -2.292 271 3HG2 VAL 40 3HG2 VAL 40 -13.690 -31.920 -2.382 272 H GLN 41 H GLN 41 -14.491 -35.352 0.442 273 HA GLN 41 HA GLN 41 -13.327 -37.159 -1.593 274 1HB GLN 41 HB2 GLN 41 -13.076 -38.160 0.701 275 2HB GLN 41 HB3 GLN 41 -14.848 -38.146 0.836 276 1HG GLN 41 HG2 GLN 41 -14.963 -39.496 -1.297 277 2HG GLN 41 HG3 GLN 41 -13.198 -39.559 -1.333 278 1HE2 GLN 41 1HE2 GLN 41 -13.095 -41.734 1.637 279 2HE2 GLN 41 2HE2 GLN 41 -12.318 -40.264 1.076 280 H MET 42 H MET 42 -14.600 -37.118 -3.297 281 HA MET 42 HA MET 42 -17.468 -36.342 -3.002 282 1HB MET 42 HB2 MET 42 -16.027 -34.840 -4.308 283 2HB MET 42 HB3 MET 42 -15.570 -36.176 -5.381 284 1HG MET 42 HG2 MET 42 -17.936 -36.397 -6.093 285 2HG MET 42 HG3 MET 42 -18.392 -35.100 -4.972 286 1HE MET 42 HE1 MET 42 -18.941 -33.464 -8.462 287 2HE MET 42 HE2 MET 42 -19.242 -35.158 -8.004 288 3HE MET 42 HE3 MET 42 -19.662 -33.841 -6.879 289 H ARG 43 H ARG 43 -19.000 -37.753 -3.674 290 HA ARG 43 HA ARG 43 -18.197 -40.440 -4.639 291 1HB ARG 43 HB2 ARG 43 -19.492 -40.375 -2.596 292 2HB ARG 43 HB3 ARG 43 -20.759 -39.416 -3.385 293 1HG ARG 43 HG2 ARG 43 -21.325 -41.253 -4.865 294 2HG ARG 43 HG3 ARG 43 -19.917 -42.194 -4.341 295 1HD ARG 43 HD2 ARG 43 -22.008 -43.011 -3.298 296 2HD ARG 43 HD3 ARG 43 -20.827 -42.457 -2.119 297 HE ARG 43 HE ARG 43 -22.175 -40.726 -1.471 298 1HH1 ARG 43 1HH1 ARG 43 -24.111 -39.578 -1.318 299 2HH1 ARG 43 2HH1 ARG 43 -25.368 -39.773 -2.509 300 1HH2 ARG 43 1HH2 ARG 43 -23.566 -42.142 -4.441 301 2HH2 ARG 43 2HH2 ARG 43 -25.056 -41.258 -4.285 302 H GLN 44 H GLN 44 -18.313 -40.695 -6.824 303 HA GLN 44 HA GLN 44 -19.948 -38.862 -8.485 304 1HB GLN 44 HB2 GLN 44 -18.954 -40.055 -10.372 305 2HB GLN 44 HB3 GLN 44 -17.739 -39.364 -9.303 306 1HG GLN 44 HG2 GLN 44 -16.827 -41.381 -8.792 307 2HG GLN 44 HG3 GLN 44 -18.404 -42.149 -8.574 308 1HE2 GLN 44 1HE2 GLN 44 -18.848 -43.200 -11.943 309 2HE2 GLN 44 2HE2 GLN 44 -19.732 -42.462 -10.612 310 H GLY 45 H GLY 45 -21.706 -39.892 -6.937 311 1HA GLY 45 HA2 GLY 45 -23.740 -40.986 -6.972 312 2HA GLY 45 HA3 GLY 45 -23.369 -41.648 -8.572 313 H PHE 46 H PHE 46 -21.433 -43.284 -8.474 314 HA PHE 46 HA PHE 46 -22.036 -45.295 -6.347 315 1HB PHE 46 HB2 PHE 46 -20.985 -46.890 -8.005 316 2HB PHE 46 HB3 PHE 46 -22.588 -46.268 -8.326 317 HD1 PHE 46 HD1 PHE 46 -19.370 -46.800 -9.777 318 HD2 PHE 46 HD2 PHE 46 -22.924 -44.363 -9.997 319 HE1 PHE 46 HE1 PHE 46 -18.892 -46.301 -12.147 320 HE2 PHE 46 HE2 PHE 46 -22.406 -43.827 -12.353 321 HZ PHE 46 HZ PHE 46 -20.413 -44.831 -13.451 322 H PHE 47 H PHE 47 -19.089 -44.762 -8.377 323 HA PHE 47 HA PHE 47 -17.420 -45.529 -6.136 324 1HB PHE 47 HB2 PHE 47 -16.576 -44.055 -8.649 325 2HB PHE 47 HB3 PHE 47 -15.544 -44.995 -7.585 326 HD1 PHE 47 HD1 PHE 47 -16.158 -45.162 -10.709 327 HD2 PHE 47 HD2 PHE 47 -17.230 -47.505 -7.237 328 HE1 PHE 47 HE1 PHE 47 -16.271 -47.200 -12.104 329 HE2 PHE 47 HE2 PHE 47 -17.404 -49.516 -8.658 330 HZ PHE 47 HZ PHE 47 -16.929 -49.374 -11.093 331 H ALA 48 H ALA 48 -15.460 -43.994 -5.506 332 HA ALA 48 HA ALA 48 -16.274 -41.195 -5.347 333 1HB ALA 48 HB1 ALA 48 -15.660 -42.877 -2.862 334 2HB ALA 48 HB2 ALA 48 -15.972 -41.130 -2.889 335 3HB ALA 48 HB3 ALA 48 -17.271 -42.269 -3.295 336 H VAL 49 H VAL 49 -14.565 -39.780 -4.830 337 HA VAL 49 HA VAL 49 -11.850 -40.867 -4.635 338 HB VAL 49 HB VAL 49 -11.375 -39.029 -6.590 339 1HG1 VAL 49 1HG1 VAL 49 -11.905 -41.976 -7.042 340 2HG1 VAL 49 2HG1 VAL 49 -10.957 -40.896 -8.090 341 3HG1 VAL 49 3HG1 VAL 49 -10.404 -41.227 -6.438 342 1HG2 VAL 49 1HG2 VAL 49 -13.801 -38.691 -7.077 343 2HG2 VAL 49 2HG2 VAL 49 -12.857 -39.266 -8.463 344 3HG2 VAL 49 3HG2 VAL 49 -13.905 -40.394 -7.589 345 H GLN 50 H GLN 50 -10.291 -39.243 -4.172 346 HA GLN 50 HA GLN 50 -11.437 -37.203 -2.469 347 1HB GLN 50 HB2 GLN 50 -9.356 -36.932 -1.504 348 2HB GLN 50 HB3 GLN 50 -9.462 -38.665 -1.815 349 1HG GLN 50 HG2 GLN 50 -7.984 -36.608 -3.540 350 2HG GLN 50 HG3 GLN 50 -7.255 -37.636 -2.318 351 1HE2 GLN 50 1HE2 GLN 50 -8.212 -39.313 -5.947 352 2HE2 GLN 50 2HE2 GLN 50 -8.906 -37.754 -5.507 353 H GLN 51 H GLN 51 -10.697 -34.909 -2.566 354 HA GLN 51 HA GLN 51 -9.439 -34.022 -5.076 355 1HB GLN 51 HB2 GLN 51 -11.933 -32.552 -4.236 356 2HB GLN 51 HB3 GLN 51 -11.078 -32.497 -5.760 357 1HG GLN 51 HG2 GLN 51 -11.966 -34.676 -6.416 358 2HG GLN 51 HG3 GLN 51 -12.740 -34.893 -4.834 359 1HE2 GLN 51 1HE2 GLN 51 -15.273 -32.377 -5.358 360 2HE2 GLN 51 2HE2 GLN 51 -14.173 -32.961 -4.128 361 H THR 52 H THR 52 -8.532 -31.818 -4.775 362 HA THR 52 HA THR 52 -7.655 -31.277 -2.126 363 HB THR 52 HB THR 52 -7.856 -29.359 -4.500 364 HG1 THR 52 HG1 THR 52 -5.804 -30.269 -5.054 365 1HG2 THR 52 1HG2 THR 52 -5.755 -28.434 -3.540 366 2HG2 THR 52 2HG2 THR 52 -7.098 -28.331 -2.390 367 3HG2 THR 52 3HG2 THR 52 -5.863 -29.600 -2.202 368 H CYS 53 H CYS 53 -8.649 -29.951 -0.495 369 HA CYS 53 HA CYS 53 -11.411 -29.268 -0.898 370 1HB CYS 53 HB2 CYS 53 -10.479 -29.917 1.288 371 2HB CYS 53 HB3 CYS 53 -9.532 -28.425 1.314 372 HA PRO 54 HA PRO 54 -10.163 -25.358 -2.846 373 1HB PRO 54 HB2 PRO 54 -12.603 -24.336 -3.512 374 2HB PRO 54 HB3 PRO 54 -11.853 -25.715 -4.368 375 1HG PRO 54 HG2 PRO 54 -13.929 -25.832 -2.164 376 2HG PRO 54 HG3 PRO 54 -13.943 -26.684 -3.733 377 1HD PRO 54 HD2 PRO 54 -13.068 -27.885 -1.456 378 2HD PRO 54 HD3 PRO 54 -12.293 -28.209 -3.033 379 H HIS 55 H HIS 55 -12.672 -25.548 -0.320 380 HA HIS 55 HA HIS 55 -12.973 -22.932 0.386 381 1HB HIS 55 HB2 HIS 55 -14.169 -24.982 1.269 382 2HB HIS 55 HB3 HIS 55 -12.832 -25.199 2.407 383 HD1 HIS 55 HD1 HIS 55 -12.968 -21.690 2.555 384 HD2 HIS 55 HD2 HIS 55 -15.665 -24.747 3.619 385 HE1 HIS 55 HE1 HIS 55 -14.652 -20.658 4.188 386 H CYS 56 H CYS 56 -10.293 -25.025 1.363 387 HA CYS 56 HA CYS 56 -8.872 -22.701 2.651 388 1HB CYS 56 HB2 CYS 56 -7.637 -24.463 3.906 389 2HB CYS 56 HB3 CYS 56 -9.316 -24.241 4.371 390 H GLN 57 H GLN 57 -9.031 -23.801 -0.255 391 HA GLN 57 HA GLN 57 -7.634 -24.283 -1.973 392 1HB GLN 57 HB2 GLN 57 -5.792 -22.384 -0.449 393 2HB GLN 57 HB3 GLN 57 -5.787 -22.725 -2.181 394 1HG GLN 57 HG2 GLN 57 -6.869 -20.648 -1.958 395 2HG GLN 57 HG3 GLN 57 -8.159 -21.806 -2.292 396 1HE2 GLN 57 1HE2 GLN 57 -9.896 -21.002 0.715 397 2HE2 GLN 57 2HE2 GLN 57 -9.907 -21.790 -0.848 398 H GLY 58 H GLY 58 -7.541 -26.384 -0.239 399 1HA GLY 58 HA2 GLY 58 -6.331 -28.298 0.073 400 2HA GLY 58 HA3 GLY 58 -5.022 -27.610 -0.891 401 H ARG 59 H ARG 59 -5.290 -25.328 1.514 402 HA ARG 59 HA ARG 59 -2.946 -26.376 2.861 403 1HB ARG 59 HB2 ARG 59 -4.661 -23.913 3.373 404 2HB ARG 59 HB3 ARG 59 -3.139 -24.288 4.189 405 1HG ARG 59 HG2 ARG 59 -1.914 -24.266 2.084 406 2HG ARG 59 HG3 ARG 59 -3.392 -23.950 1.161 407 1HD ARG 59 HD2 ARG 59 -2.380 -22.107 3.371 408 2HD ARG 59 HD3 ARG 59 -1.932 -21.935 1.663 409 HE ARG 59 HE ARG 59 -4.742 -22.075 1.751 410 1HH1 ARG 59 1HH1 ARG 59 -2.210 -19.903 3.027 411 2HH1 ARG 59 2HH1 ARG 59 -3.073 -18.457 2.563 412 1HH2 ARG 59 1HH2 ARG 59 -5.896 -20.093 1.253 413 2HH2 ARG 59 2HH2 ARG 59 -5.131 -18.567 1.617 414 H GLY 60 H GLY 60 -6.327 -26.717 3.441 415 1HA GLY 60 HA2 GLY 60 -7.350 -28.048 5.107 416 2HA GLY 60 HA3 GLY 60 -5.814 -28.164 5.957 417 H THR 61 H THR 61 -5.636 -25.039 5.710 418 HA THR 61 HA THR 61 -7.153 -24.444 8.171 419 HB THR 61 HB THR 61 -5.412 -22.502 7.998 420 HG1 THR 61 HG1 THR 61 -4.928 -22.915 5.820 421 1HG2 THR 61 1HG2 THR 61 -3.634 -23.873 8.979 422 2HG2 THR 61 2HG2 THR 61 -5.223 -24.338 9.620 423 3HG2 THR 61 3HG2 THR 61 -4.427 -25.354 8.390 424 H LEU 62 H LEU 62 -8.738 -22.961 8.158 425 HA LEU 62 HA LEU 62 -9.397 -21.409 5.744 426 1HB LEU 62 HB2 LEU 62 -10.610 -21.427 8.540 427 2HB LEU 62 HB3 LEU 62 -11.239 -20.544 7.156 428 HG LEU 62 HG LEU 62 -10.999 -23.582 7.292 429 1HD1 LEU 62 1HD1 LEU 62 -13.379 -21.716 7.706 430 2HD1 LEU 62 2HD1 LEU 62 -13.482 -23.486 7.586 431 3HD1 LEU 62 3HD1 LEU 62 -12.613 -22.740 8.940 432 1HD2 LEU 62 1HD2 LEU 62 -12.585 -23.443 5.339 433 2HD2 LEU 62 2HD2 LEU 62 -12.341 -21.679 5.327 434 3HD2 LEU 62 3HD2 LEU 62 -10.995 -22.772 4.966 435 H ILE 63 H ILE 63 -8.269 -19.628 5.393 436 HA ILE 63 HA ILE 63 -6.727 -18.257 7.440 437 HB ILE 63 HB ILE 63 -7.315 -17.521 4.544 438 1HG1 ILE 63 2HG1 ILE 63 -6.210 -19.706 4.592 439 2HG1 ILE 63 3HG1 ILE 63 -5.156 -18.433 3.990 440 1HG2 ILE 63 1HG2 ILE 63 -6.501 -15.573 5.589 441 2HG2 ILE 63 2HG2 ILE 63 -5.320 -16.454 6.576 442 3HG2 ILE 63 3HG2 ILE 63 -5.083 -16.280 4.823 443 1HD1 ILE 63 1HD1 ILE 63 -5.021 -19.661 6.768 444 2HD1 ILE 63 2HD1 ILE 63 -3.888 -19.902 5.425 445 3HD1 ILE 63 3HD1 ILE 63 -4.017 -18.310 6.184 446 H LYS 64 H LYS 64 -8.797 -18.124 8.733 447 HA LYS 64 HA LYS 64 -10.815 -16.218 8.061 448 1HB LYS 64 HB2 LYS 64 -11.034 -17.985 9.782 449 2HB LYS 64 HB3 LYS 64 -9.804 -17.184 10.765 450 1HG LYS 64 HG2 LYS 64 -12.074 -16.766 11.608 451 2HG LYS 64 HG3 LYS 64 -11.247 -15.277 11.165 452 1HD LYS 64 HD2 LYS 64 -13.595 -15.240 10.491 453 2HD LYS 64 HD3 LYS 64 -12.542 -15.107 9.085 454 1HE LYS 64 HE2 LYS 64 -12.920 -17.508 8.555 455 2HE LYS 64 HE3 LYS 64 -13.879 -17.695 10.038 456 1HZ LYS 64 HZ1 LYS 64 -15.240 -17.406 8.113 457 2HZ LYS 64 HZ2 LYS 64 -15.440 -16.131 9.137 458 3HZ LYS 64 HZ3 LYS 64 -14.540 -15.955 7.767 459 H ASP 65 H ASP 65 -7.571 -15.982 9.260 460 HA ASP 65 HA ASP 65 -7.672 -13.058 9.797 461 1HB ASP 65 HB2 ASP 65 -5.815 -13.542 11.307 462 2HB ASP 65 HB3 ASP 65 -7.248 -14.464 11.759 463 HA PRO 66 HA PRO 66 -5.170 -13.883 5.936 464 1HB PRO 66 HB2 PRO 66 -6.032 -11.056 5.381 465 2HB PRO 66 HB3 PRO 66 -5.928 -12.441 4.258 466 1HG PRO 66 HG2 PRO 66 -8.335 -11.641 5.222 467 2HG PRO 66 HG3 PRO 66 -7.945 -13.387 5.162 468 1HD PRO 66 HD2 PRO 66 -7.728 -11.524 7.551 469 2HD PRO 66 HD3 PRO 66 -8.499 -13.129 7.418 470 H CYS 67 H CYS 67 -3.006 -13.777 6.139 471 HA CYS 67 HA CYS 67 -1.642 -11.660 7.582 472 1HB CYS 67 HB2 CYS 67 -0.692 -13.923 7.385 473 2HB CYS 67 HB3 CYS 67 -0.642 -13.763 5.629 474 H ASN 68 H ASN 68 -2.463 -9.814 6.652 475 HA ASN 68 HA ASN 68 -2.862 -8.918 4.163 476 1HB ASN 68 HB2 ASN 68 -3.180 -7.504 6.112 477 2HB ASN 68 HB3 ASN 68 -1.433 -7.422 6.389 478 1HD2 ASN 68 1HD2 ASN 68 -3.068 -5.212 3.307 479 2HD2 ASN 68 2HD2 ASN 68 -3.958 -6.591 3.924 480 H LYS 69 H LYS 69 0.418 -9.028 5.601 481 HA LYS 69 HA LYS 69 1.931 -7.801 3.673 482 1HB LYS 69 HB2 LYS 69 2.758 -8.721 5.826 483 2HB LYS 69 HB3 LYS 69 2.674 -10.360 5.148 484 1HG LYS 69 HG2 LYS 69 4.330 -9.727 3.407 485 2HG LYS 69 HG3 LYS 69 4.361 -8.069 4.033 486 1HD LYS 69 HD2 LYS 69 5.250 -8.896 6.190 487 2HD LYS 69 HD3 LYS 69 5.167 -10.569 5.591 488 1HE LYS 69 HE2 LYS 69 6.757 -9.974 3.752 489 2HE LYS 69 HE3 LYS 69 6.857 -8.322 4.389 490 1HZ LYS 69 HZ1 LYS 69 7.741 -9.242 6.419 491 2HZ LYS 69 HZ2 LYS 69 7.675 -10.767 5.794 492 3HZ LYS 69 HZ3 LYS 69 8.673 -9.645 5.122 493 H CYS 70 H CYS 70 0.519 -11.066 3.455 494 HA CYS 70 HA CYS 70 1.401 -11.226 0.588 495 1HB CYS 70 HB2 CYS 70 1.645 -13.641 0.893 496 2HB CYS 70 HB3 CYS 70 2.753 -12.751 1.936 497 H HIS 71 H HIS 71 -1.067 -10.198 1.968 498 HA HIS 71 HA HIS 71 -3.305 -10.431 2.026 499 1HB HIS 71 HB2 HIS 71 -2.610 -9.779 -0.330 500 2HB HIS 71 HB3 HIS 71 -2.950 -11.442 -0.814 501 HD1 HIS 71 HD1 HIS 71 -5.657 -12.124 0.076 502 HD2 HIS 71 HD2 HIS 71 -4.576 -8.139 -0.699 503 HE1 HIS 71 HE1 HIS 71 -7.851 -10.828 -0.335 504 H GLY 72 H GLY 72 -2.167 -12.680 3.293 505 1HA GLY 72 HA2 GLY 72 -2.852 -14.672 4.129 506 2HA GLY 72 HA3 GLY 72 -4.401 -14.458 3.307 507 H HIS 73 H HIS 73 -1.861 -14.434 0.955 508 HA HIS 73 HA HIS 73 -2.620 -16.983 -0.115 509 1HB HIS 73 HB2 HIS 73 -1.749 -15.082 -1.442 510 2HB HIS 73 HB3 HIS 73 -0.187 -15.212 -0.623 511 HD1 HIS 73 HD1 HIS 73 -1.141 -18.668 -1.267 512 HD2 HIS 73 HD2 HIS 73 0.394 -15.404 -3.426 513 HE1 HIS 73 HE1 HIS 73 -0.115 -19.630 -3.408 514 H GLY 74 H GLY 74 -0.005 -15.779 1.851 515 1HA GLY 74 HA2 GLY 74 1.130 -16.873 3.544 516 2HA GLY 74 HA3 GLY 74 0.710 -18.439 2.908 517 H ARG 75 H ARG 75 1.833 -16.811 0.210 518 HA ARG 75 HA ARG 75 4.689 -16.988 0.862 519 1HB ARG 75 HB2 ARG 75 5.149 -18.365 -1.142 520 2HB ARG 75 HB3 ARG 75 4.256 -19.216 0.108 521 1HG ARG 75 HG2 ARG 75 2.318 -18.048 -1.703 522 2HG ARG 75 HG3 ARG 75 3.591 -18.781 -2.669 523 1HD ARG 75 HD2 ARG 75 1.986 -20.478 -2.341 524 2HD ARG 75 HD3 ARG 75 3.318 -20.913 -1.291 525 HE ARG 75 HE ARG 75 0.668 -19.726 -0.525 526 1HH1 ARG 75 1HH1 ARG 75 -0.134 -20.072 1.494 527 2HH1 ARG 75 2HH1 ARG 75 0.841 -20.879 2.723 528 1HH2 ARG 75 1HH2 ARG 75 3.664 -21.273 0.708 529 2HH2 ARG 75 2HH2 ARG 75 2.939 -21.444 2.304 530 H VAL 76 H VAL 76 6.030 -15.959 -0.748 531 HA VAL 76 HA VAL 76 4.602 -13.963 -2.435 532 HB VAL 76 HB VAL 76 6.179 -12.239 -1.631 533 1HG1 VAL 76 1HG1 VAL 76 3.897 -12.463 -0.649 534 2HG1 VAL 76 2HG1 VAL 76 4.583 -13.470 0.647 535 3HG1 VAL 76 3HG1 VAL 76 5.076 -11.775 0.484 536 1HG2 VAL 76 1HG2 VAL 76 6.977 -14.265 0.518 537 2HG2 VAL 76 2HG2 VAL 76 8.024 -13.666 -0.785 538 3HG2 VAL 76 3HG2 VAL 76 7.441 -12.556 0.459 539 H GLU 77 H GLU 77 5.720 -13.233 -4.223 540 HA GLU 77 HA GLU 77 7.637 -15.091 -5.378 541 1HB GLU 77 HB2 GLU 77 5.799 -14.015 -6.662 542 2HB GLU 77 HB3 GLU 77 6.577 -12.435 -6.437 543 1HG GLU 77 HG2 GLU 77 8.549 -13.188 -7.670 544 2HG GLU 77 HG3 GLU 77 7.917 -14.839 -7.750 545 H ARG 78 H ARG 78 9.263 -14.915 -3.782 546 HA ARG 78 HA ARG 78 10.645 -12.385 -3.329 547 1HB ARG 78 HB2 ARG 78 10.187 -14.280 -1.707 548 2HB ARG 78 HB3 ARG 78 11.457 -15.195 -2.517 549 1HG ARG 78 HG2 ARG 78 13.115 -13.416 -1.948 550 2HG ARG 78 HG3 ARG 78 11.828 -12.421 -1.245 551 1HD ARG 78 HD2 ARG 78 12.724 -15.146 -0.267 552 2HD ARG 78 HD3 ARG 78 13.145 -13.606 0.484 553 HE ARG 78 HE ARG 78 10.531 -13.338 0.577 554 1HH1 ARG 78 1HH1 ARG 78 12.312 -16.352 1.317 555 2HH1 ARG 78 2HH1 ARG 78 11.161 -16.850 2.527 556 1HH2 ARG 78 1HH2 ARG 78 9.000 -14.095 2.017 557 2HH2 ARG 78 2HH2 ARG 78 9.186 -15.653 2.788 558 H SER 79 H SER 79 10.674 -12.676 -6.014 559 HA SER 79 HA SER 79 13.094 -14.061 -6.932 560 1HB SER 79 HB2 SER 79 11.231 -12.154 -8.404 561 2HB SER 79 HB3 SER 79 12.474 -13.198 -9.116 562 HG SER 79 HG SER 79 10.534 -14.297 -9.231 Start of MODEL 20 1 H GLY 1 H GLY 1 -0.779 -15.819 -19.904 2 1HA GLY 1 HA2 GLY 1 -0.001 -17.475 -22.265 3 2HA GLY 1 HA3 GLY 1 -0.072 -15.700 -22.280 4 H VAL 2 H VAL 2 1.221 -18.207 -20.108 5 HA VAL 2 HA VAL 2 3.284 -16.878 -18.894 6 HB VAL 2 HB VAL 2 4.337 -19.077 -18.517 7 1HG1 VAL 2 1HG1 VAL 2 2.486 -18.261 -17.102 8 2HG1 VAL 2 2HG1 VAL 2 1.308 -19.071 -18.159 9 3HG1 VAL 2 3HG1 VAL 2 2.488 -20.027 -17.243 10 1HG2 VAL 2 1HG2 VAL 2 3.893 -20.182 -20.684 11 2HG2 VAL 2 2HG2 VAL 2 3.258 -21.127 -19.332 12 3HG2 VAL 2 3HG2 VAL 2 2.149 -20.184 -20.341 13 H THR 3 H THR 3 3.380 -18.089 -22.223 14 HA THR 3 HA THR 3 6.162 -18.101 -22.677 15 HB THR 3 HB THR 3 5.246 -17.522 -25.072 16 HG1 THR 3 HG1 THR 3 2.967 -17.833 -25.169 17 1HG2 THR 3 1HG2 THR 3 5.790 -19.825 -24.326 18 2HG2 THR 3 2HG2 THR 3 4.194 -19.965 -23.558 19 3HG2 THR 3 3HG2 THR 3 4.325 -19.810 -25.322 20 H LYS 4 H LYS 4 3.775 -15.476 -22.620 21 HA LYS 4 HA LYS 4 5.845 -13.426 -23.268 22 1HB LYS 4 HB2 LYS 4 2.827 -13.200 -22.871 23 2HB LYS 4 HB3 LYS 4 3.929 -11.902 -23.364 24 1HG LYS 4 HG2 LYS 4 4.526 -13.210 -25.406 25 2HG LYS 4 HG3 LYS 4 3.374 -14.473 -24.923 26 1HD LYS 4 HD2 LYS 4 1.524 -12.813 -24.982 27 2HD LYS 4 HD3 LYS 4 2.670 -11.556 -25.488 28 1HE LYS 4 HE2 LYS 4 3.199 -12.865 -27.540 29 2HE LYS 4 HE3 LYS 4 2.053 -14.122 -27.034 30 1HZ LYS 4 HZ1 LYS 4 1.375 -11.327 -27.622 31 2HZ LYS 4 HZ2 LYS 4 1.087 -12.622 -28.599 32 3HZ LYS 4 HZ3 LYS 4 0.312 -12.494 -27.150 33 H GLU 5 H GLU 5 3.376 -14.277 -20.838 34 HA GLU 5 HA GLU 5 4.337 -12.400 -18.829 35 1HB GLU 5 HB2 GLU 5 2.389 -14.736 -18.631 36 2HB GLU 5 HB3 GLU 5 2.621 -13.461 -17.429 37 1HG GLU 5 HG2 GLU 5 1.804 -11.770 -19.035 38 2HG GLU 5 HG3 GLU 5 1.621 -13.007 -20.289 39 H ILE 6 H ILE 6 6.593 -13.423 -19.272 40 HA ILE 6 HA ILE 6 7.224 -15.981 -18.318 41 HB ILE 6 HB ILE 6 9.605 -15.113 -18.175 42 1HG1 ILE 6 2HG1 ILE 6 10.149 -13.024 -19.240 43 2HG1 ILE 6 3HG1 ILE 6 8.455 -12.598 -19.476 44 1HG2 ILE 6 1HG2 ILE 6 8.641 -16.278 -20.089 45 2HG2 ILE 6 2HG2 ILE 6 8.007 -14.751 -20.735 46 3HG2 ILE 6 3HG2 ILE 6 9.761 -15.014 -20.625 47 1HD1 ILE 6 1HD1 ILE 6 9.752 -12.975 -16.738 48 2HD1 ILE 6 2HD1 ILE 6 9.594 -11.415 -17.572 49 3HD1 ILE 6 3HD1 ILE 6 8.139 -12.294 -17.092 50 H ARG 7 H ARG 7 6.132 -13.582 -16.307 51 HA ARG 7 HA ARG 7 7.642 -14.425 -13.920 52 1HB ARG 7 HB2 ARG 7 5.173 -12.690 -14.338 53 2HB ARG 7 HB3 ARG 7 5.830 -13.084 -12.750 54 1HG ARG 7 HG2 ARG 7 7.372 -11.601 -14.925 55 2HG ARG 7 HG3 ARG 7 6.537 -10.867 -13.550 56 1HD ARG 7 HD2 ARG 7 7.982 -12.363 -12.042 57 2HD ARG 7 HD3 ARG 7 8.973 -12.695 -13.466 58 HE ARG 7 HE ARG 7 8.948 -10.034 -13.571 59 1HH1 ARG 7 1HH1 ARG 7 10.545 -8.701 -12.692 60 2HH1 ARG 7 2HH1 ARG 7 11.336 -9.121 -11.197 61 1HH2 ARG 7 1HH2 ARG 7 9.507 -12.105 -10.698 62 2HH2 ARG 7 2HH2 ARG 7 10.815 -11.112 -10.129 63 H ILE 8 H ILE 8 7.184 -16.685 -14.744 64 HA ILE 8 HA ILE 8 4.672 -17.884 -14.493 65 HB ILE 8 HB ILE 8 6.093 -20.000 -13.923 66 1HG1 ILE 8 2HG1 ILE 8 8.427 -18.267 -14.773 67 2HG1 ILE 8 3HG1 ILE 8 8.029 -18.547 -13.073 68 1HG2 ILE 8 1HG2 ILE 8 5.213 -19.436 -16.169 69 2HG2 ILE 8 2HG2 ILE 8 6.625 -18.407 -16.478 70 3HG2 ILE 8 3HG2 ILE 8 6.817 -20.162 -16.293 71 1HD1 ILE 8 1HD1 ILE 8 8.222 -20.994 -13.418 72 2HD1 ILE 8 2HD1 ILE 8 8.689 -20.711 -15.112 73 3HD1 ILE 8 3HD1 ILE 8 9.723 -20.128 -13.798 74 HA PRO 9 HA PRO 9 3.587 -18.018 -10.213 75 1HB PRO 9 HB2 PRO 9 3.296 -21.019 -10.466 76 2HB PRO 9 HB3 PRO 9 2.168 -19.837 -9.742 77 1HG PRO 9 HG2 PRO 9 1.720 -20.780 -12.235 78 2HG PRO 9 HG3 PRO 9 1.598 -19.014 -11.955 79 1HD PRO 9 HD2 PRO 9 3.980 -20.564 -13.030 80 2HD PRO 9 HD3 PRO 9 3.158 -19.133 -13.714 81 H THR 10 H THR 10 6.004 -17.575 -9.879 82 HA THR 10 HA THR 10 7.505 -19.729 -8.533 83 HB THR 10 HB THR 10 8.368 -16.851 -8.979 84 HG1 THR 10 HG1 THR 10 7.658 -17.723 -10.971 85 1HG2 THR 10 1HG2 THR 10 9.829 -19.527 -8.948 86 2HG2 THR 10 2HG2 THR 10 10.587 -17.925 -9.083 87 3HG2 THR 10 3HG2 THR 10 9.781 -18.400 -7.566 88 H LEU 11 H LEU 11 6.167 -20.026 -6.759 89 HA LEU 11 HA LEU 11 5.464 -17.754 -5.027 90 1HB LEU 11 HB2 LEU 11 4.673 -20.668 -4.798 91 2HB LEU 11 HB3 LEU 11 3.953 -19.285 -3.966 92 HG LEU 11 HG LEU 11 3.839 -19.883 -6.956 93 1HD1 LEU 11 1HD1 LEU 11 1.461 -20.195 -6.592 94 2HD1 LEU 11 2HD1 LEU 11 2.378 -21.279 -5.530 95 3HD1 LEU 11 3HD1 LEU 11 1.632 -19.806 -4.871 96 1HD2 LEU 11 1HD2 LEU 11 2.286 -17.922 -7.072 97 2HD2 LEU 11 2HD2 LEU 11 2.733 -17.504 -5.401 98 3HD2 LEU 11 3HD2 LEU 11 3.950 -17.469 -6.696 99 H GLU 12 H GLU 12 6.328 -17.342 -3.100 100 HA GLU 12 HA GLU 12 8.311 -19.220 -1.890 101 1HB GLU 12 HB2 GLU 12 8.047 -16.191 -1.666 102 2HB GLU 12 HB3 GLU 12 9.170 -17.202 -0.755 103 1HG GLU 12 HG2 GLU 12 10.418 -16.270 -2.553 104 2HG GLU 12 HG3 GLU 12 10.179 -17.980 -2.934 105 H GLU 13 H GLU 13 7.702 -20.090 -0.024 106 HA GLU 13 HA GLU 13 5.152 -19.869 1.105 107 1HB GLU 13 HB2 GLU 13 6.873 -21.764 1.338 108 2HB GLU 13 HB3 GLU 13 7.711 -20.738 2.510 109 1HG GLU 13 HG2 GLU 13 6.450 -22.135 3.861 110 2HG GLU 13 HG3 GLU 13 5.412 -20.714 3.794 111 H CYS 14 H CYS 14 4.233 -18.381 2.511 112 HA CYS 14 HA CYS 14 5.871 -16.119 3.347 113 1HB CYS 14 HB2 CYS 14 3.521 -15.932 2.556 114 2HB CYS 14 HB3 CYS 14 3.022 -16.757 4.033 115 H ASP 15 H ASP 15 7.392 -17.170 4.667 116 HA ASP 15 HA ASP 15 7.093 -18.809 6.862 117 1HB ASP 15 HB2 ASP 15 9.193 -17.978 7.662 118 2HB ASP 15 HB3 ASP 15 9.261 -18.006 5.897 119 H VAL 16 H VAL 16 6.553 -15.327 6.737 120 HA VAL 16 HA VAL 16 6.219 -14.621 9.426 121 HB VAL 16 HB VAL 16 4.759 -13.665 6.929 122 1HG1 VAL 16 1HG1 VAL 16 3.520 -12.906 8.883 123 2HG1 VAL 16 2HG1 VAL 16 5.032 -12.295 9.619 124 3HG1 VAL 16 3HG1 VAL 16 4.381 -11.556 8.141 125 1HG2 VAL 16 1HG2 VAL 16 7.184 -13.367 6.714 126 2HG2 VAL 16 2HG2 VAL 16 6.454 -11.797 7.058 127 3HG2 VAL 16 3HG2 VAL 16 7.276 -12.685 8.351 128 H CYS 17 H CYS 17 3.880 -16.349 7.335 129 HA CYS 17 HA CYS 17 2.097 -16.674 9.752 130 1HB CYS 17 HB2 CYS 17 0.304 -17.057 8.193 131 2HB CYS 17 HB3 CYS 17 0.991 -15.436 8.025 132 H HIS 18 H HIS 18 4.584 -18.178 8.632 133 HA HIS 18 HA HIS 18 5.325 -20.285 8.313 134 1HB HIS 18 HB2 HIS 18 2.939 -20.999 10.056 135 2HB HIS 18 HB3 HIS 18 4.352 -22.016 9.754 136 HD1 HIS 18 HD1 HIS 18 5.864 -18.750 10.235 137 HD2 HIS 18 HD2 HIS 18 3.993 -21.626 12.686 138 HE1 HIS 18 HE1 HIS 18 6.641 -18.303 12.615 139 H GLY 19 H GLY 19 3.723 -19.189 6.296 140 1HA GLY 19 HA2 GLY 19 2.917 -19.775 4.327 141 2HA GLY 19 HA3 GLY 19 3.220 -21.465 4.665 142 H SER 20 H SER 20 1.092 -20.199 7.078 143 HA SER 20 HA SER 20 -1.115 -21.730 5.919 144 1HB SER 20 HB2 SER 20 -2.359 -21.062 7.874 145 2HB SER 20 HB3 SER 20 -0.778 -21.705 8.347 146 HG SER 20 HG SER 20 -0.095 -19.641 8.827 147 H GLY 21 H GLY 21 -0.874 -18.474 7.069 148 1HA GLY 21 HA2 GLY 21 -1.411 -16.620 5.273 149 2HA GLY 21 HA3 GLY 21 -2.969 -17.449 5.233 150 H ALA 22 H ALA 22 -2.134 -18.037 8.373 151 HA ALA 22 HA ALA 22 -3.861 -15.953 9.368 152 1HB ALA 22 HB1 ALA 22 -3.900 -18.105 10.417 153 2HB ALA 22 HB2 ALA 22 -2.143 -18.069 10.723 154 3HB ALA 22 HB3 ALA 22 -3.224 -16.975 11.598 155 H LYS 23 H LYS 23 -3.313 -14.073 10.509 156 HA LYS 23 HA LYS 23 -0.790 -12.894 10.056 157 1HB LYS 23 HB2 LYS 23 -1.425 -11.184 11.702 158 2HB LYS 23 HB3 LYS 23 -2.735 -11.542 10.569 159 1HG LYS 23 HG2 LYS 23 -3.833 -12.957 12.241 160 2HG LYS 23 HG3 LYS 23 -2.525 -12.703 13.385 161 1HD LYS 23 HD2 LYS 23 -4.277 -10.471 12.265 162 2HD LYS 23 HD3 LYS 23 -4.656 -11.380 13.737 163 1HE LYS 23 HE2 LYS 23 -2.128 -9.707 13.340 164 2HE LYS 23 HE3 LYS 23 -3.565 -9.224 14.247 165 1HZ LYS 23 HZ1 LYS 23 -1.938 -10.077 15.713 166 2HZ LYS 23 HZ2 LYS 23 -3.216 -11.119 15.681 167 3HZ LYS 23 HZ3 LYS 23 -1.829 -11.499 14.888 168 HA PRO 24 HA PRO 24 2.287 -14.715 12.585 169 1HB PRO 24 HB2 PRO 24 2.454 -11.960 13.871 170 2HB PRO 24 HB3 PRO 24 3.777 -13.125 13.555 171 1HG PRO 24 HG2 PRO 24 3.258 -11.211 11.721 172 2HG PRO 24 HG3 PRO 24 3.492 -12.909 11.210 173 1HD PRO 24 HD2 PRO 24 0.913 -11.380 11.454 174 2HD PRO 24 HD3 PRO 24 1.409 -12.598 10.240 175 H GLY 25 H GLY 25 0.666 -12.447 14.921 176 1HA GLY 25 HA2 GLY 25 0.836 -14.441 17.048 177 2HA GLY 25 HA3 GLY 25 0.168 -12.812 17.143 178 H THR 26 H THR 26 -0.808 -15.549 14.961 179 HA THR 26 HA THR 26 -3.232 -16.076 16.472 180 HB THR 26 HB THR 26 -3.453 -14.854 13.691 181 HG1 THR 26 HG1 THR 26 -3.543 -13.728 16.223 182 1HG2 THR 26 1HG2 THR 26 -5.884 -14.664 14.281 183 2HG2 THR 26 2HG2 THR 26 -5.342 -16.333 14.083 184 3HG2 THR 26 3HG2 THR 26 -5.585 -15.662 15.717 185 H GLN 27 H GLN 27 -4.402 -17.890 15.466 186 HA GLN 27 HA GLN 27 -2.641 -19.604 13.778 187 1HB GLN 27 HB2 GLN 27 -3.690 -21.516 14.862 188 2HB GLN 27 HB3 GLN 27 -2.837 -20.500 16.022 189 1HG GLN 27 HG2 GLN 27 -5.866 -20.420 15.595 190 2HG GLN 27 HG3 GLN 27 -5.063 -21.447 16.773 191 1HE2 GLN 27 1HE2 GLN 27 -4.366 -18.836 19.089 192 2HE2 GLN 27 2HE2 GLN 27 -3.962 -20.476 18.616 193 HA PRO 28 HA PRO 28 -6.070 -19.455 10.922 194 1HB PRO 28 HB2 PRO 28 -5.545 -21.326 9.183 195 2HB PRO 28 HB3 PRO 28 -4.353 -20.071 9.467 196 1HG PRO 28 HG2 PRO 28 -4.301 -22.769 10.854 197 2HG PRO 28 HG3 PRO 28 -2.997 -22.039 9.882 198 1HD PRO 28 HD2 PRO 28 -3.192 -21.811 12.566 199 2HD PRO 28 HD3 PRO 28 -2.564 -20.448 11.570 200 H GLN 29 H GLN 29 -8.069 -20.727 10.418 201 HA GLN 29 HA GLN 29 -8.817 -22.321 12.841 202 1HB GLN 29 HB2 GLN 29 -10.601 -20.840 10.880 203 2HB GLN 29 HB3 GLN 29 -11.022 -21.530 12.450 204 1HG GLN 29 HG2 GLN 29 -10.787 -19.254 12.917 205 2HG GLN 29 HG3 GLN 29 -9.250 -19.929 13.461 206 1HE2 GLN 29 1HE2 GLN 29 -7.546 -17.509 11.463 207 2HE2 GLN 29 2HE2 GLN 29 -7.536 -18.463 12.923 208 H THR 30 H THR 30 -9.298 -24.528 12.633 209 HA THR 30 HA THR 30 -8.839 -26.113 10.586 210 HB THR 30 HB THR 30 -11.359 -26.534 12.230 211 HG1 THR 30 HG1 THR 30 -9.874 -27.154 13.898 212 1HG2 THR 30 1HG2 THR 30 -10.668 -28.302 10.605 213 2HG2 THR 30 2HG2 THR 30 -9.075 -28.380 11.382 214 3HG2 THR 30 3HG2 THR 30 -10.529 -28.861 12.279 215 H CYS 31 H CYS 31 -9.463 -26.228 8.472 216 HA CYS 31 HA CYS 31 -11.853 -24.894 7.563 217 1HB CYS 31 HB2 CYS 31 -9.762 -25.064 6.243 218 2HB CYS 31 HB3 CYS 31 -9.999 -26.807 6.136 219 HA PRO 32 HA PRO 32 -14.195 -28.625 8.547 220 1HB PRO 32 HB2 PRO 32 -16.724 -27.788 8.078 221 2HB PRO 32 HB3 PRO 32 -15.733 -27.193 9.454 222 1HG PRO 32 HG2 PRO 32 -16.113 -25.829 6.768 223 2HG PRO 32 HG3 PRO 32 -16.357 -25.126 8.395 224 1HD PRO 32 HD2 PRO 32 -14.020 -24.835 7.038 225 2HD PRO 32 HD3 PRO 32 -14.037 -25.051 8.813 226 H THR 33 H THR 33 -14.391 -26.842 5.426 227 HA THR 33 HA THR 33 -15.728 -28.582 3.817 228 HB THR 33 HB THR 33 -13.167 -27.252 2.908 229 HG1 THR 33 HG1 THR 33 -15.540 -25.860 3.591 230 1HG2 THR 33 1HG2 THR 33 -15.990 -27.204 1.749 231 2HG2 THR 33 2HG2 THR 33 -14.512 -26.548 1.007 232 3HG2 THR 33 3HG2 THR 33 -14.700 -28.298 1.222 233 H CYS 34 H CYS 34 -12.306 -28.817 4.831 234 HA CYS 34 HA CYS 34 -12.116 -31.560 3.617 235 1HB CYS 34 HB2 CYS 34 -9.619 -31.161 3.930 236 2HB CYS 34 HB3 CYS 34 -10.416 -30.378 2.596 237 H HIS 35 H HIS 35 -13.125 -30.386 6.402 238 HA HIS 35 HA HIS 35 -13.036 -30.971 8.587 239 1HB HIS 35 HB2 HIS 35 -12.010 -33.679 7.687 240 2HB HIS 35 HB3 HIS 35 -13.005 -33.285 9.088 241 HD1 HIS 35 HD1 HIS 35 -15.039 -31.530 6.873 242 HD2 HIS 35 HD2 HIS 35 -13.787 -35.550 6.950 243 HE1 HIS 35 HE1 HIS 35 -16.728 -32.848 5.501 244 H GLY 36 H GLY 36 -10.715 -29.616 7.674 245 1HA GLY 36 HA2 GLY 36 -8.665 -29.029 8.548 246 2HA GLY 36 HA3 GLY 36 -8.796 -30.319 9.740 247 H SER 37 H SER 37 -9.237 -32.028 6.958 248 HA SER 37 HA SER 37 -6.641 -33.167 7.061 249 1HB SER 37 HB2 SER 37 -8.647 -33.641 4.836 250 2HB SER 37 HB3 SER 37 -7.475 -34.757 5.550 251 HG SER 37 HG SER 37 -9.918 -33.791 6.580 252 H GLY 38 H GLY 38 -7.589 -30.354 5.377 253 1HA GLY 38 HA2 GLY 38 -6.273 -29.066 3.925 254 2HA GLY 38 HA3 GLY 38 -5.103 -30.377 3.828 255 H GLN 39 H GLN 39 -7.623 -32.161 3.048 256 HA GLN 39 HA GLN 39 -7.967 -31.182 0.297 257 1HB GLN 39 HB2 GLN 39 -7.599 -33.601 -0.461 258 2HB GLN 39 HB3 GLN 39 -6.216 -32.568 -0.094 259 1HG GLN 39 HG2 GLN 39 -6.042 -33.706 2.165 260 2HG GLN 39 HG3 GLN 39 -7.292 -34.833 1.611 261 1HE2 GLN 39 1HE2 GLN 39 -4.711 -36.789 0.115 262 2HE2 GLN 39 2HE2 GLN 39 -6.228 -36.752 1.003 263 H VAL 40 H VAL 40 -9.868 -31.404 -0.486 264 HA VAL 40 HA VAL 40 -12.120 -32.157 1.234 265 HB VAL 40 HB VAL 40 -13.417 -31.583 -0.887 266 1HG1 VAL 40 1HG1 VAL 40 -13.112 -29.184 -0.707 267 2HG1 VAL 40 2HG1 VAL 40 -13.089 -29.945 0.904 268 3HG1 VAL 40 3HG1 VAL 40 -11.569 -29.408 0.153 269 1HG2 VAL 40 1HG2 VAL 40 -12.364 -30.481 -2.723 270 2HG2 VAL 40 2HG2 VAL 40 -10.791 -30.416 -1.926 271 3HG2 VAL 40 3HG2 VAL 40 -11.452 -31.980 -2.461 272 H GLN 41 H GLN 41 -13.597 -33.894 0.712 273 HA GLN 41 HA GLN 41 -12.425 -36.017 -1.030 274 1HB GLN 41 HB2 GLN 41 -12.257 -36.526 1.338 275 2HB GLN 41 HB3 GLN 41 -14.008 -36.350 1.523 276 1HG GLN 41 HG2 GLN 41 -14.452 -38.234 0.136 277 2HG GLN 41 HG3 GLN 41 -12.807 -38.283 -0.530 278 1HE2 GLN 41 1HE2 GLN 41 -13.405 -39.688 3.324 279 2HE2 GLN 41 2HE2 GLN 41 -14.449 -38.416 2.705 280 H MET 42 H MET 42 -13.521 -35.984 -2.876 281 HA MET 42 HA MET 42 -16.406 -35.346 -2.951 282 1HB MET 42 HB2 MET 42 -14.246 -35.823 -5.044 283 2HB MET 42 HB3 MET 42 -15.967 -35.801 -5.473 284 1HG MET 42 HG2 MET 42 -14.609 -33.559 -3.955 285 2HG MET 42 HG3 MET 42 -14.820 -33.569 -5.714 286 1HE MET 42 HE1 MET 42 -17.360 -30.932 -4.020 287 2HE MET 42 HE2 MET 42 -15.843 -31.069 -4.948 288 3HE MET 42 HE3 MET 42 -15.886 -31.529 -3.221 289 H ARG 43 H ARG 43 -17.781 -36.871 -2.513 290 HA ARG 43 HA ARG 43 -17.094 -39.728 -2.893 291 1HB ARG 43 HB2 ARG 43 -17.840 -38.956 -0.676 292 2HB ARG 43 HB3 ARG 43 -19.417 -38.518 -1.361 293 1HG ARG 43 HG2 ARG 43 -19.823 -40.863 -2.019 294 2HG ARG 43 HG3 ARG 43 -18.197 -41.318 -1.513 295 1HD ARG 43 HD2 ARG 43 -20.465 -40.379 0.271 296 2HD ARG 43 HD3 ARG 43 -19.815 -42.015 0.172 297 HE ARG 43 HE ARG 43 -18.778 -39.756 1.661 298 1HH1 ARG 43 1HH1 ARG 43 -16.932 -39.986 2.929 299 2HH1 ARG 43 2HH1 ARG 43 -15.841 -41.324 2.696 300 1HH2 ARG 43 1HH2 ARG 43 -16.343 -42.963 1.114 301 2HH2 ARG 43 2HH2 ARG 43 -17.741 -42.811 0.097 302 H GLN 44 H GLN 44 -18.064 -40.966 -4.360 303 HA GLN 44 HA GLN 44 -20.279 -39.863 -6.036 304 1HB GLN 44 HB2 GLN 44 -19.360 -41.380 -7.795 305 2HB GLN 44 HB3 GLN 44 -18.479 -39.902 -7.490 306 1HG GLN 44 HG2 GLN 44 -17.644 -42.624 -6.389 307 2HG GLN 44 HG3 GLN 44 -17.105 -41.976 -7.934 308 1HE2 GLN 44 1HE2 GLN 44 -15.552 -39.242 -5.511 309 2HE2 GLN 44 2HE2 GLN 44 -17.135 -39.186 -6.251 310 H GLY 45 H GLY 45 -21.707 -40.649 -4.444 311 1HA GLY 45 HA2 GLY 45 -23.349 -42.145 -3.879 312 2HA GLY 45 HA3 GLY 45 -22.648 -43.341 -4.977 313 H PHE 46 H PHE 46 -20.353 -44.081 -4.135 314 HA PHE 46 HA PHE 46 -20.452 -44.645 -1.185 315 1HB PHE 46 HB2 PHE 46 -21.367 -46.596 -2.263 316 2HB PHE 46 HB3 PHE 46 -20.072 -46.638 -3.450 317 HD1 PHE 46 HD1 PHE 46 -18.135 -47.956 -3.032 318 HD2 PHE 46 HD2 PHE 46 -20.663 -46.792 0.268 319 HE1 PHE 46 HE1 PHE 46 -16.758 -49.316 -1.495 320 HE2 PHE 46 HE2 PHE 46 -19.279 -48.163 1.801 321 HZ PHE 46 HZ PHE 46 -17.323 -49.425 0.926 322 H PHE 47 H PHE 47 -18.333 -45.355 -4.008 323 HA PHE 47 HA PHE 47 -15.918 -45.085 -2.571 324 1HB PHE 47 HB2 PHE 47 -16.366 -44.556 -5.536 325 2HB PHE 47 HB3 PHE 47 -14.857 -45.013 -4.770 326 HD1 PHE 47 HD1 PHE 47 -17.903 -46.236 -6.314 327 HD2 PHE 47 HD2 PHE 47 -14.692 -47.329 -3.642 328 HE1 PHE 47 HE1 PHE 47 -18.467 -48.629 -6.606 329 HE2 PHE 47 HE2 PHE 47 -15.236 -49.724 -3.979 330 HZ PHE 47 HZ PHE 47 -17.136 -50.377 -5.443 331 H ALA 48 H ALA 48 -14.275 -43.321 -2.712 332 HA ALA 48 HA ALA 48 -15.268 -40.709 -3.567 333 1HB ALA 48 HB1 ALA 48 -14.268 -41.167 -0.719 334 2HB ALA 48 HB2 ALA 48 -14.856 -39.653 -1.452 335 3HB ALA 48 HB3 ALA 48 -15.981 -40.980 -1.144 336 H VAL 49 H VAL 49 -13.614 -39.097 -3.671 337 HA VAL 49 HA VAL 49 -10.822 -40.083 -3.527 338 HB VAL 49 HB VAL 49 -10.367 -38.942 -5.720 339 1HG1 VAL 49 1HG1 VAL 49 -11.029 -40.897 -7.019 340 2HG1 VAL 49 2HG1 VAL 49 -10.510 -41.373 -5.384 341 3HG1 VAL 49 3HG1 VAL 49 -12.241 -41.332 -5.789 342 1HG2 VAL 49 1HG2 VAL 49 -12.185 -38.630 -7.324 343 2HG2 VAL 49 2HG2 VAL 49 -13.394 -39.102 -6.119 344 3HG2 VAL 49 3HG2 VAL 49 -12.467 -37.599 -5.912 345 H GLN 50 H GLN 50 -9.287 -38.493 -3.224 346 HA GLN 50 HA GLN 50 -10.414 -36.086 -1.976 347 1HB GLN 50 HB2 GLN 50 -7.934 -37.719 -1.484 348 2HB GLN 50 HB3 GLN 50 -8.164 -36.100 -0.772 349 1HG GLN 50 HG2 GLN 50 -10.271 -36.795 0.252 350 2HG GLN 50 HG3 GLN 50 -10.149 -38.405 -0.483 351 1HE2 GLN 50 1HE2 GLN 50 -8.878 -39.373 2.685 352 2HE2 GLN 50 2HE2 GLN 50 -10.263 -39.439 1.605 353 H GLN 51 H GLN 51 -9.624 -34.034 -2.298 354 HA GLN 51 HA GLN 51 -7.650 -33.569 -4.479 355 1HB GLN 51 HB2 GLN 51 -10.099 -31.847 -4.300 356 2HB GLN 51 HB3 GLN 51 -9.076 -32.166 -5.686 357 1HG GLN 51 HG2 GLN 51 -10.154 -34.318 -6.067 358 2HG GLN 51 HG3 GLN 51 -11.069 -34.203 -4.553 359 1HE2 GLN 51 1HE2 GLN 51 -13.249 -31.539 -5.691 360 2HE2 GLN 51 2HE2 GLN 51 -12.260 -31.960 -4.311 361 H THR 52 H THR 52 -6.420 -31.596 -4.053 362 HA THR 52 HA THR 52 -6.160 -30.698 -1.443 363 HB THR 52 HB THR 52 -5.702 -29.076 -3.983 364 HG1 THR 52 HG1 THR 52 -4.099 -31.098 -2.787 365 1HG2 THR 52 1HG2 THR 52 -5.322 -27.835 -1.886 366 2HG2 THR 52 2HG2 THR 52 -4.290 -29.151 -1.281 367 3HG2 THR 52 3HG2 THR 52 -3.777 -28.184 -2.686 368 H CYS 53 H CYS 53 -7.184 -29.112 -0.155 369 HA CYS 53 HA CYS 53 -9.684 -28.013 -1.163 370 1HB CYS 53 HB2 CYS 53 -9.432 -28.759 1.160 371 2HB CYS 53 HB3 CYS 53 -8.242 -27.482 1.437 372 HA PRO 54 HA PRO 54 -7.237 -24.434 -2.651 373 1HB PRO 54 HB2 PRO 54 -9.210 -23.024 -3.896 374 2HB PRO 54 HB3 PRO 54 -8.543 -24.541 -4.570 375 1HG PRO 54 HG2 PRO 54 -11.093 -24.227 -2.949 376 2HG PRO 54 HG3 PRO 54 -10.872 -25.089 -4.494 377 1HD PRO 54 HD2 PRO 54 -10.823 -26.375 -2.106 378 2HD PRO 54 HD3 PRO 54 -9.753 -26.875 -3.449 379 H HIS 55 H HIS 55 -10.368 -24.027 -0.955 380 HA HIS 55 HA HIS 55 -10.206 -21.400 -0.276 381 1HB HIS 55 HB2 HIS 55 -12.042 -23.120 0.190 382 2HB HIS 55 HB3 HIS 55 -11.197 -23.474 1.704 383 HD1 HIS 55 HD1 HIS 55 -10.550 -20.105 1.912 384 HD2 HIS 55 HD2 HIS 55 -14.170 -22.239 1.644 385 HE1 HIS 55 HE1 HIS 55 -12.391 -18.553 2.795 386 H CYS 56 H CYS 56 -8.229 -23.932 1.151 387 HA CYS 56 HA CYS 56 -6.840 -21.873 2.820 388 1HB CYS 56 HB2 CYS 56 -6.464 -23.677 4.496 389 2HB CYS 56 HB3 CYS 56 -8.114 -23.082 4.387 390 H GLN 57 H GLN 57 -6.289 -22.870 0.081 391 HA GLN 57 HA GLN 57 -4.635 -23.853 -1.159 392 1HB GLN 57 HB2 GLN 57 -3.145 -22.114 0.847 393 2HB GLN 57 HB3 GLN 57 -2.350 -22.888 -0.522 394 1HG GLN 57 HG2 GLN 57 -2.842 -20.644 -1.162 395 2HG GLN 57 HG3 GLN 57 -3.797 -21.766 -2.130 396 1HE2 GLN 57 1HE2 GLN 57 -5.812 -19.569 0.733 397 2HE2 GLN 57 2HE2 GLN 57 -4.165 -20.109 1.092 398 H GLY 58 H GLY 58 -5.519 -25.885 0.316 399 1HA GLY 58 HA2 GLY 58 -4.884 -28.008 0.831 400 2HA GLY 58 HA3 GLY 58 -3.227 -27.607 0.407 401 H ARG 59 H ARG 59 -3.710 -25.384 2.797 402 HA ARG 59 HA ARG 59 -2.277 -27.035 4.705 403 1HB ARG 59 HB2 ARG 59 -3.298 -24.171 4.810 404 2HB ARG 59 HB3 ARG 59 -2.368 -24.929 6.102 405 1HG ARG 59 HG2 ARG 59 -1.385 -24.557 3.229 406 2HG ARG 59 HG3 ARG 59 -0.936 -23.586 4.626 407 1HD ARG 59 HD2 ARG 59 -0.236 -25.953 5.676 408 2HD ARG 59 HD3 ARG 59 -0.196 -26.439 3.981 409 HE ARG 59 HE ARG 59 1.729 -25.252 3.668 410 1HH1 ARG 59 1HH1 ARG 59 0.217 -24.071 6.663 411 2HH1 ARG 59 2HH1 ARG 59 1.685 -23.232 7.174 412 1HH2 ARG 59 1HH2 ARG 59 3.642 -24.155 4.456 413 2HH2 ARG 59 2HH2 ARG 59 3.531 -23.333 6.011 414 H GLY 60 H GLY 60 -5.610 -26.628 4.200 415 1HA GLY 60 HA2 GLY 60 -7.345 -27.669 5.335 416 2HA GLY 60 HA3 GLY 60 -6.180 -28.326 6.483 417 H THR 61 H THR 61 -5.880 -24.912 6.327 418 HA THR 61 HA THR 61 -7.798 -24.510 8.606 419 HB THR 61 HB THR 61 -6.198 -23.227 9.653 420 HG1 THR 61 HG1 THR 61 -4.948 -22.895 7.588 421 1HG2 THR 61 1HG2 THR 61 -4.738 -24.956 10.523 422 2HG2 THR 61 2HG2 THR 61 -6.381 -25.570 10.287 423 3HG2 THR 61 3HG2 THR 61 -5.089 -26.003 9.136 424 H LEU 62 H LEU 62 -9.197 -23.013 8.079 425 HA LEU 62 HA LEU 62 -8.990 -21.202 5.863 426 1HB LEU 62 HB2 LEU 62 -10.798 -21.274 8.325 427 2HB LEU 62 HB3 LEU 62 -10.971 -20.078 7.042 428 HG LEU 62 HG LEU 62 -11.204 -23.073 6.619 429 1HD1 LEU 62 1HD1 LEU 62 -13.310 -20.869 6.815 430 2HD1 LEU 62 2HD1 LEU 62 -13.642 -22.558 6.385 431 3HD1 LEU 62 3HD1 LEU 62 -13.042 -22.159 8.008 432 1HD2 LEU 62 1HD2 LEU 62 -10.519 -22.037 4.544 433 2HD2 LEU 62 2HD2 LEU 62 -12.257 -22.326 4.444 434 3HD2 LEU 62 3HD2 LEU 62 -11.655 -20.689 4.799 435 H ILE 63 H ILE 63 -8.782 -19.039 5.848 436 HA ILE 63 HA ILE 63 -7.141 -17.834 8.008 437 HB ILE 63 HB ILE 63 -7.263 -17.140 5.043 438 1HG1 ILE 63 2HG1 ILE 63 -6.533 -19.466 5.117 439 2HG1 ILE 63 3HG1 ILE 63 -5.215 -18.399 4.690 440 1HG2 ILE 63 1HG2 ILE 63 -5.335 -16.506 7.315 441 2HG2 ILE 63 2HG2 ILE 63 -5.041 -16.143 5.596 442 3HG2 ILE 63 3HG2 ILE 63 -6.394 -15.393 6.453 443 1HD1 ILE 63 1HD1 ILE 63 -4.313 -18.502 6.949 444 2HD1 ILE 63 2HD1 ILE 63 -5.664 -19.546 7.453 445 3HD1 ILE 63 3HD1 ILE 63 -4.492 -20.122 6.253 446 H LYS 64 H LYS 64 -9.348 -17.328 9.073 447 HA LYS 64 HA LYS 64 -10.983 -15.332 7.748 448 1HB LYS 64 HB2 LYS 64 -10.675 -16.031 10.690 449 2HB LYS 64 HB3 LYS 64 -11.905 -14.947 10.045 450 1HG LYS 64 HG2 LYS 64 -11.647 -17.850 9.134 451 2HG LYS 64 HG3 LYS 64 -12.624 -17.333 10.512 452 1HD LYS 64 HD2 LYS 64 -13.984 -15.874 9.052 453 2HD LYS 64 HD3 LYS 64 -12.979 -16.294 7.658 454 1HE LYS 64 HE2 LYS 64 -15.033 -17.585 7.592 455 2HE LYS 64 HE3 LYS 64 -13.645 -18.658 7.832 456 1HZ LYS 64 HZ1 LYS 64 -15.488 -19.203 9.251 457 2HZ LYS 64 HZ2 LYS 64 -14.188 -18.747 10.152 458 3HZ LYS 64 HZ3 LYS 64 -15.454 -17.709 9.946 459 H ASP 65 H ASP 65 -7.995 -15.317 9.505 460 HA ASP 65 HA ASP 65 -7.835 -12.364 9.792 461 1HB ASP 65 HB2 ASP 65 -6.072 -12.892 11.381 462 2HB ASP 65 HB3 ASP 65 -7.597 -13.662 11.822 463 HA PRO 66 HA PRO 66 -5.263 -13.610 6.088 464 1HB PRO 66 HB2 PRO 66 -5.591 -11.360 4.556 465 2HB PRO 66 HB3 PRO 66 -6.739 -12.727 4.616 466 1HG PRO 66 HG2 PRO 66 -6.862 -10.155 6.217 467 2HG PRO 66 HG3 PRO 66 -8.163 -10.893 5.232 468 1HD PRO 66 HD2 PRO 66 -8.093 -11.304 7.875 469 2HD PRO 66 HD3 PRO 66 -8.423 -12.685 6.784 470 H CYS 67 H CYS 67 -3.203 -13.627 6.418 471 HA CYS 67 HA CYS 67 -1.572 -11.574 7.581 472 1HB CYS 67 HB2 CYS 67 -0.887 -13.908 7.587 473 2HB CYS 67 HB3 CYS 67 -1.022 -13.995 5.828 474 H ASN 68 H ASN 68 -1.995 -9.666 6.513 475 HA ASN 68 HA ASN 68 -2.508 -8.956 3.994 476 1HB ASN 68 HB2 ASN 68 -2.306 -7.316 5.776 477 2HB ASN 68 HB3 ASN 68 -0.553 -7.555 5.853 478 1HD2 ASN 68 1HD2 ASN 68 -2.147 -5.395 2.715 479 2HD2 ASN 68 2HD2 ASN 68 -3.190 -6.477 3.616 480 H LYS 69 H LYS 69 0.851 -9.515 5.104 481 HA LYS 69 HA LYS 69 2.338 -8.854 2.919 482 1HB LYS 69 HB2 LYS 69 3.245 -9.663 5.036 483 2HB LYS 69 HB3 LYS 69 2.685 -11.308 4.680 484 1HG LYS 69 HG2 LYS 69 4.189 -11.461 2.759 485 2HG LYS 69 HG3 LYS 69 4.656 -9.759 2.946 486 1HD LYS 69 HD2 LYS 69 5.733 -10.238 5.085 487 2HD LYS 69 HD3 LYS 69 5.069 -11.879 5.097 488 1HE LYS 69 HE2 LYS 69 7.439 -11.919 4.452 489 2HE LYS 69 HE3 LYS 69 6.416 -12.493 3.126 490 1HZ LYS 69 HZ1 LYS 69 7.538 -9.787 3.367 491 2HZ LYS 69 HZ2 LYS 69 8.103 -10.983 2.384 492 3HZ LYS 69 HZ3 LYS 69 6.612 -10.339 2.120 493 H CYS 70 H CYS 70 0.377 -11.835 3.231 494 HA CYS 70 HA CYS 70 0.903 -12.436 0.327 495 1HB CYS 70 HB2 CYS 70 0.706 -14.789 0.894 496 2HB CYS 70 HB3 CYS 70 2.045 -14.065 1.780 497 H HIS 71 H HIS 71 -1.257 -10.914 1.957 498 HA HIS 71 HA HIS 71 -3.527 -10.766 2.123 499 1HB HIS 71 HB2 HIS 71 -3.308 -11.958 -0.672 500 2HB HIS 71 HB3 HIS 71 -4.750 -11.188 -0.007 501 HD1 HIS 71 HD1 HIS 71 -1.649 -9.228 0.863 502 HD2 HIS 71 HD2 HIS 71 -4.484 -9.569 -2.234 503 HE1 HIS 71 HE1 HIS 71 -1.448 -7.124 -0.542 504 H GLY 72 H GLY 72 -2.574 -13.047 3.510 505 1HA GLY 72 HA2 GLY 72 -3.340 -14.931 4.461 506 2HA GLY 72 HA3 GLY 72 -4.953 -14.508 3.862 507 H HIS 73 H HIS 73 -2.556 -15.032 1.335 508 HA HIS 73 HA HIS 73 -3.980 -17.437 0.467 509 1HB HIS 73 HB2 HIS 73 -1.456 -16.078 -0.570 510 2HB HIS 73 HB3 HIS 73 -2.263 -17.456 -1.318 511 HD1 HIS 73 HD1 HIS 73 -4.453 -14.557 -0.030 512 HD2 HIS 73 HD2 HIS 73 -2.698 -16.049 -3.561 513 HE1 HIS 73 HE1 HIS 73 -5.541 -13.325 -1.964 514 H GLY 74 H GLY 74 -0.832 -16.594 1.772 515 1HA GLY 74 HA2 GLY 74 0.160 -18.019 3.517 516 2HA GLY 74 HA3 GLY 74 -0.240 -19.427 2.540 517 H ARG 75 H ARG 75 0.672 -17.221 0.214 518 HA ARG 75 HA ARG 75 3.561 -17.395 0.585 519 1HB ARG 75 HB2 ARG 75 3.842 -18.637 -1.591 520 2HB ARG 75 HB3 ARG 75 3.221 -19.560 -0.236 521 1HG ARG 75 HG2 ARG 75 0.831 -18.851 -1.383 522 2HG ARG 75 HG3 ARG 75 1.858 -18.709 -2.790 523 1HD ARG 75 HD2 ARG 75 0.795 -20.985 -2.551 524 2HD ARG 75 HD3 ARG 75 2.558 -21.049 -2.558 525 HE ARG 75 HE ARG 75 2.546 -21.930 -0.475 526 1HH1 ARG 75 1HH1 ARG 75 2.069 -22.022 1.681 527 2HH1 ARG 75 2HH1 ARG 75 0.531 -21.553 2.334 528 1HH2 ARG 75 1HH2 ARG 75 -0.588 -20.419 -0.902 529 2HH2 ARG 75 2HH2 ARG 75 -1.063 -20.498 0.772 530 H VAL 76 H VAL 76 4.716 -16.164 -0.926 531 HA VAL 76 HA VAL 76 3.061 -14.033 -2.243 532 HB VAL 76 HB VAL 76 4.966 -12.564 -1.961 533 1HG1 VAL 76 1HG1 VAL 76 4.822 -12.212 0.433 534 2HG1 VAL 76 2HG1 VAL 76 3.240 -12.731 -0.171 535 3HG1 VAL 76 3HG1 VAL 76 4.280 -13.880 0.704 536 1HG2 VAL 76 1HG2 VAL 76 6.895 -13.150 -0.544 537 2HG2 VAL 76 2HG2 VAL 76 6.337 -14.827 -0.436 538 3HG2 VAL 76 3HG2 VAL 76 6.851 -14.146 -2.001 539 H GLU 77 H GLU 77 3.633 -13.454 -4.408 540 HA GLU 77 HA GLU 77 5.142 -15.581 -5.839 541 1HB GLU 77 HB2 GLU 77 2.825 -15.086 -6.577 542 2HB GLU 77 HB3 GLU 77 3.302 -13.409 -6.898 543 1HG GLU 77 HG2 GLU 77 4.966 -14.214 -8.584 544 2HG GLU 77 HG3 GLU 77 4.495 -15.882 -8.255 545 H ARG 78 H ARG 78 7.025 -15.132 -6.898 546 HA ARG 78 HA ARG 78 8.296 -12.513 -6.515 547 1HB ARG 78 HB2 ARG 78 9.554 -14.582 -6.312 548 2HB ARG 78 HB3 ARG 78 9.146 -15.045 -7.957 549 1HG ARG 78 HG2 ARG 78 11.464 -14.245 -7.620 550 2HG ARG 78 HG3 ARG 78 10.623 -13.381 -8.892 551 1HD ARG 78 HD2 ARG 78 10.827 -12.326 -6.039 552 2HD ARG 78 HD3 ARG 78 12.069 -12.024 -7.272 553 HE ARG 78 HE ARG 78 9.612 -11.276 -8.417 554 1HH1 ARG 78 1HH1 ARG 78 8.901 -9.109 -8.477 555 2HH1 ARG 78 2HH1 ARG 78 9.617 -7.920 -7.421 556 1HH2 ARG 78 1HH2 ARG 78 11.742 -10.251 -5.799 557 2HH2 ARG 78 2HH2 ARG 78 11.245 -8.581 -5.855 558 H SER 79 H SER 79 6.124 -11.751 -7.680 559 HA SER 79 HA SER 79 5.823 -12.003 -10.480 560 1HB SER 79 HB2 SER 79 5.019 -9.660 -8.705 561 2HB SER 79 HB3 SER 79 4.250 -10.162 -10.225 562 HG SER 79 HG SER 79 3.630 -12.106 -9.174
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:17:13 PM GMT (wattos1)