NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608461 | 2nd2 | 26045 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -5.314 5.589 13.746 2 H2 ALA 1 H2 ALA 1 -5.222 7.267 13.571 3 H3 ALA 1 H3 ALA 1 -4.062 6.277 12.848 4 HA ALA 1 HA ALA 1 -6.939 6.336 12.152 5 HB1 ALA 1 HB1 ALA 1 -6.227 7.437 10.065 6 HB2 ALA 1 HB2 ALA 1 -4.552 7.418 10.616 7 HB3 ALA 1 HB3 ALA 1 -5.747 8.388 11.472 8 HA PRO 2 HA PRO 2 -6.672 2.152 11.041 9 HB2 PRO 2 HB2 PRO 2 -7.931 2.840 8.375 10 HB3 PRO 2 HB3 PRO 2 -8.428 1.626 9.579 11 HG2 PRO 2 HG2 PRO 2 -9.756 3.906 9.387 12 HG3 PRO 2 HG3 PRO 2 -9.396 3.225 10.993 13 HD2 PRO 2 HD2 PRO 2 -8.084 5.526 9.573 14 HD3 PRO 2 HD3 PRO 2 -8.452 5.320 11.300 15 H CYS 3 H CYS 3 -6.191 3.722 7.856 16 HA CYS 3 HA CYS 3 -3.512 2.592 7.585 17 HB2 CYS 3 HB2 CYS 3 -5.112 0.840 6.742 18 HB3 CYS 3 HB3 CYS 3 -5.715 2.000 5.561 19 H GLU 4 H GLU 4 -4.717 5.292 7.836 20 HA GLU 4 HA GLU 4 -5.060 6.505 5.295 21 HB2 GLU 4 HB2 GLU 4 -4.538 7.752 8.032 22 HB3 GLU 4 HB3 GLU 4 -4.917 8.682 6.583 23 HG2 GLU 4 HG2 GLU 4 -6.704 6.641 7.930 24 HG3 GLU 4 HG3 GLU 4 -6.924 8.390 7.913 25 H ASP 5 H ASP 5 -2.295 6.565 7.556 26 HA ASP 5 HA ASP 5 -0.591 8.242 6.084 27 HB2 ASP 5 HB2 ASP 5 -0.165 7.661 8.431 28 HB3 ASP 5 HB3 ASP 5 0.089 5.974 8.005 29 H LEU 6 H LEU 6 -0.958 4.706 6.059 30 HA LEU 6 HA LEU 6 1.170 4.072 4.290 31 HB2 LEU 6 HB2 LEU 6 0.038 2.547 5.926 32 HB3 LEU 6 HB3 LEU 6 -1.384 2.523 4.910 33 HG LEU 6 HG LEU 6 1.282 1.487 3.839 34 HD11 LEU 6 HD11 LEU 6 0.657 -0.770 4.602 35 HD12 LEU 6 HD12 LEU 6 -0.729 -0.103 5.469 36 HD13 LEU 6 HD13 LEU 6 0.911 0.327 5.957 37 HD21 LEU 6 HD21 LEU 6 -0.515 1.750 2.174 38 HD22 LEU 6 HD22 LEU 6 -1.594 0.756 3.152 39 HD23 LEU 6 HD23 LEU 6 -0.147 0.045 2.429 40 H LYS 7 H LYS 7 -2.333 4.376 3.766 41 HA LYS 7 HA LYS 7 -2.301 3.643 1.013 42 HB2 LYS 7 HB2 LYS 7 -4.193 3.041 2.296 43 HB3 LYS 7 HB3 LYS 7 -4.407 4.653 2.933 44 HG2 LYS 7 HG2 LYS 7 -4.783 4.290 -0.023 45 HG3 LYS 7 HG3 LYS 7 -6.004 3.593 1.037 46 HD2 LYS 7 HD2 LYS 7 -5.162 6.516 0.949 47 HD3 LYS 7 HD3 LYS 7 -6.674 5.841 0.337 48 HE2 LYS 7 HE2 LYS 7 -7.350 5.208 2.620 49 HE3 LYS 7 HE3 LYS 7 -5.812 5.799 3.257 50 HZ1 LYS 7 HZ1 LYS 7 -7.547 7.433 3.595 51 HZ2 LYS 7 HZ2 LYS 7 -7.910 7.453 1.944 52 HZ3 LYS 7 HZ3 LYS 7 -6.420 8.033 2.492 53 H GLU 8 H GLU 8 -2.294 6.741 2.703 54 HA GLU 8 HA GLU 8 -2.615 8.347 0.351 55 HB2 GLU 8 HB2 GLU 8 -1.532 9.029 3.106 56 HB3 GLU 8 HB3 GLU 8 -1.686 10.213 1.814 57 HG2 GLU 8 HG2 GLU 8 -3.937 8.668 3.110 58 HG3 GLU 8 HG3 GLU 8 -3.562 10.374 3.349 59 H ARG 9 H ARG 9 0.149 6.811 1.910 60 HA ARG 9 HA ARG 9 2.149 8.162 0.345 61 HB2 ARG 9 HB2 ARG 9 2.274 5.601 1.988 62 HB3 ARG 9 HB3 ARG 9 3.661 6.245 1.106 63 HG2 ARG 9 HG2 ARG 9 3.577 8.312 2.437 64 HG3 ARG 9 HG3 ARG 9 2.154 7.714 3.290 65 HD2 ARG 9 HD2 ARG 9 3.578 5.768 4.097 66 HD3 ARG 9 HD3 ARG 9 4.980 6.610 3.420 67 HE ARG 9 HE ARG 9 3.278 7.541 5.638 68 HH11 ARG 9 HH11 ARG 9 6.296 7.831 3.875 69 HH12 ARG 9 HH12 ARG 9 7.015 8.883 5.048 70 HH21 ARG 9 HH21 ARG 9 4.181 8.893 7.156 71 HH22 ARG 9 HH22 ARG 9 5.796 9.494 6.939 72 H LEU 10 H LEU 10 0.179 5.256 -0.127 73 HA LEU 10 HA LEU 10 1.486 4.200 -2.412 74 HB2 LEU 10 HB2 LEU 10 -1.538 4.238 -2.038 75 HB3 LEU 10 HB3 LEU 10 -0.596 3.083 -2.968 76 HG LEU 10 HG LEU 10 -0.714 3.327 0.055 77 HD11 LEU 10 HD11 LEU 10 -1.723 1.107 -0.002 78 HD12 LEU 10 HD12 LEU 10 -1.648 1.099 -1.764 79 HD13 LEU 10 HD13 LEU 10 -2.678 2.265 -0.929 80 HD21 LEU 10 HD21 LEU 10 1.572 2.747 -0.523 81 HD22 LEU 10 HD22 LEU 10 1.013 1.437 -1.564 82 HD23 LEU 10 HD23 LEU 10 0.755 1.352 0.180 83 H LYS 11 H LYS 11 -0.797 6.802 -1.959 84 HA LYS 11 HA LYS 11 -1.183 7.496 -4.723 85 HB2 LYS 11 HB2 LYS 11 -1.810 8.983 -2.135 86 HB3 LYS 11 HB3 LYS 11 -2.363 9.483 -3.733 87 HG2 LYS 11 HG2 LYS 11 -3.781 7.553 -3.955 88 HG3 LYS 11 HG3 LYS 11 -3.058 6.776 -2.542 89 HD2 LYS 11 HD2 LYS 11 -5.310 7.714 -2.044 90 HD3 LYS 11 HD3 LYS 11 -4.047 8.447 -1.055 91 HE2 LYS 11 HE2 LYS 11 -4.029 10.416 -2.572 92 HE3 LYS 11 HE3 LYS 11 -5.322 9.677 -3.520 93 HZ1 LYS 11 HZ1 LYS 11 -6.191 11.293 -1.952 94 HZ2 LYS 11 HZ2 LYS 11 -5.516 10.453 -0.652 95 HZ3 LYS 11 HZ3 LYS 11 -6.747 9.748 -1.568 96 H LYS 12 H LYS 12 0.815 8.736 -2.056 97 HA LYS 12 HA LYS 12 1.678 11.133 -3.363 98 HB2 LYS 12 HB2 LYS 12 1.463 10.663 -0.830 99 HB3 LYS 12 HB3 LYS 12 2.978 9.790 -0.933 100 HG2 LYS 12 HG2 LYS 12 2.732 12.713 -1.731 101 HG3 LYS 12 HG3 LYS 12 3.041 12.214 -0.070 102 HD2 LYS 12 HD2 LYS 12 5.131 11.105 -0.788 103 HD3 LYS 12 HD3 LYS 12 4.811 11.583 -2.458 104 HE2 LYS 12 HE2 LYS 12 4.971 13.961 -1.812 105 HE3 LYS 12 HE3 LYS 12 5.276 13.488 -0.137 106 HZ1 LYS 12 HZ1 LYS 12 7.352 13.983 -1.224 107 HZ2 LYS 12 HZ2 LYS 12 7.020 12.901 -2.479 108 HZ3 LYS 12 HZ3 LYS 12 7.290 12.322 -0.917 109 H LEU 13 H LEU 13 3.126 7.940 -2.810 110 HA LEU 13 HA LEU 13 5.648 8.517 -4.074 111 HB2 LEU 13 HB2 LEU 13 4.354 5.867 -3.302 112 HB3 LEU 13 HB3 LEU 13 6.002 6.024 -3.897 113 HG LEU 13 HG LEU 13 4.963 7.287 -1.327 114 HD11 LEU 13 HD11 LEU 13 5.013 4.849 -1.123 115 HD12 LEU 13 HD12 LEU 13 6.251 5.596 -0.119 116 HD13 LEU 13 HD13 LEU 13 6.703 4.818 -1.640 117 HD21 LEU 13 HD21 LEU 13 6.788 8.582 -2.288 118 HD22 LEU 13 HD22 LEU 13 7.792 7.135 -2.412 119 HD23 LEU 13 HD23 LEU 13 7.322 7.755 -0.827 120 H GLY 14 H GLY 14 2.525 7.573 -5.199 121 HA2 GLY 14 HA2 GLY 14 1.657 7.527 -7.301 122 HA3 GLY 14 HA3 GLY 14 3.154 8.247 -7.857 123 H MET 15 H MET 15 2.262 5.080 -6.472 124 HA MET 15 HA MET 15 3.829 3.581 -8.362 125 HB2 MET 15 HB2 MET 15 2.921 1.626 -7.082 126 HB3 MET 15 HB3 MET 15 3.686 2.822 -6.049 127 HG2 MET 15 HG2 MET 15 1.389 3.716 -5.525 128 HG3 MET 15 HG3 MET 15 0.727 2.360 -6.415 129 HE1 MET 15 HE1 MET 15 3.385 1.519 -2.692 130 HE2 MET 15 HE2 MET 15 3.282 3.141 -3.381 131 HE3 MET 15 HE3 MET 15 4.047 1.837 -4.295 132 H SER 16 H SER 16 2.376 1.451 -9.137 133 HA SER 16 HA SER 16 0.589 2.345 -11.131 134 HB2 SER 16 HB2 SER 16 0.844 -0.437 -9.928 135 HB3 SER 16 HB3 SER 16 0.066 -0.049 -11.464 136 HG SER 16 HG SER 16 2.177 0.848 -12.073 137 H GLU 17 H GLU 17 -1.694 2.041 -11.304 138 HA GLU 17 HA GLU 17 -3.325 2.750 -9.110 139 HB2 GLU 17 HB2 GLU 17 -4.124 1.377 -11.715 140 HB3 GLU 17 HB3 GLU 17 -5.199 2.288 -10.660 141 HG2 GLU 17 HG2 GLU 17 -2.776 3.522 -11.927 142 HG3 GLU 17 HG3 GLU 17 -4.317 3.446 -12.776 143 H GLU 18 H GLU 18 -2.827 -0.338 -10.803 144 HA GLU 18 HA GLU 18 -4.321 -2.058 -9.183 145 HB2 GLU 18 HB2 GLU 18 -3.491 -2.776 -11.356 146 HB3 GLU 18 HB3 GLU 18 -1.816 -2.573 -10.856 147 HG2 GLU 18 HG2 GLU 18 -2.103 -4.437 -9.225 148 HG3 GLU 18 HG3 GLU 18 -3.761 -4.651 -9.776 149 H CYS 19 H CYS 19 -1.028 -0.742 -8.754 150 HA CYS 19 HA CYS 19 -0.135 -2.532 -6.755 151 HB2 CYS 19 HB2 CYS 19 1.396 -0.880 -7.960 152 HB3 CYS 19 HB3 CYS 19 0.654 0.395 -7.030 153 H ARG 20 H ARG 20 -1.661 0.705 -6.569 154 HA ARG 20 HA ARG 20 -1.798 0.966 -3.762 155 HB2 ARG 20 HB2 ARG 20 -4.010 1.983 -5.620 156 HB3 ARG 20 HB3 ARG 20 -3.441 2.689 -4.117 157 HG2 ARG 20 HG2 ARG 20 -1.356 3.400 -5.248 158 HG3 ARG 20 HG3 ARG 20 -1.953 2.699 -6.767 159 HD2 ARG 20 HD2 ARG 20 -3.315 4.892 -5.182 160 HD3 ARG 20 HD3 ARG 20 -2.376 5.128 -6.661 161 HE ARG 20 HE ARG 20 -4.565 3.267 -6.924 162 HH11 ARG 20 HH11 ARG 20 -3.721 6.691 -7.147 163 HH12 ARG 20 HH12 ARG 20 -5.072 7.077 -8.170 164 HH21 ARG 20 HH21 ARG 20 -6.339 3.783 -8.211 165 HH22 ARG 20 HH22 ARG 20 -6.557 5.413 -8.771 166 H GLN 21 H GLN 21 -4.184 -0.260 -6.110 167 HA GLN 21 HA GLN 21 -6.309 -0.782 -4.382 168 HB2 GLN 21 HB2 GLN 21 -5.597 -1.926 -7.111 169 HB3 GLN 21 HB3 GLN 21 -7.083 -2.380 -6.281 170 HG2 GLN 21 HG2 GLN 21 -7.864 -0.079 -6.308 171 HG3 GLN 21 HG3 GLN 21 -6.334 0.467 -6.996 172 HE21 GLN 21 HE21 GLN 21 -5.962 0.165 -9.216 173 HE22 GLN 21 HE22 GLN 21 -7.190 -0.339 -10.310 174 H ARG 22 H ARG 22 -3.519 -2.761 -5.203 175 HA ARG 22 HA ARG 22 -4.336 -5.208 -3.965 176 HB2 ARG 22 HB2 ARG 22 -1.641 -4.021 -4.760 177 HB3 ARG 22 HB3 ARG 22 -1.714 -5.542 -3.895 178 HG2 ARG 22 HG2 ARG 22 -2.916 -6.610 -5.715 179 HG3 ARG 22 HG3 ARG 22 -3.061 -5.073 -6.576 180 HD2 ARG 22 HD2 ARG 22 -0.642 -4.962 -6.882 181 HD3 ARG 22 HD3 ARG 22 -0.412 -6.412 -5.902 182 HE ARG 22 HE ARG 22 -2.045 -7.201 -7.975 183 HH11 ARG 22 HH11 ARG 22 1.188 -5.762 -7.743 184 HH12 ARG 22 HH12 ARG 22 1.758 -6.518 -9.200 185 HH21 ARG 22 HH21 ARG 22 -1.253 -8.217 -9.859 186 HH22 ARG 22 HH22 ARG 22 0.370 -7.909 -10.394 187 H LEU 23 H LEU 23 -2.479 -2.399 -2.894 188 HA LEU 23 HA LEU 23 -1.422 -3.665 -0.539 189 HB2 LEU 23 HB2 LEU 23 -1.283 -0.867 -1.693 190 HB3 LEU 23 HB3 LEU 23 -0.364 -1.359 -0.298 191 HG LEU 23 HG LEU 23 -0.127 -2.612 -3.054 192 HD11 LEU 23 HD11 LEU 23 2.069 -1.505 -3.169 193 HD12 LEU 23 HD12 LEU 23 1.700 -0.652 -1.667 194 HD13 LEU 23 HD13 LEU 23 0.723 -0.369 -3.108 195 HD21 LEU 23 HD21 LEU 23 0.394 -4.227 -1.310 196 HD22 LEU 23 HD22 LEU 23 1.544 -3.104 -0.578 197 HD23 LEU 23 HD23 LEU 23 1.849 -3.760 -2.187 198 H GLU 24 H GLU 24 -3.684 -0.949 -1.094 199 HA GLU 24 HA GLU 24 -4.198 -0.434 1.647 200 HB2 GLU 24 HB2 GLU 24 -6.074 0.972 0.861 201 HB3 GLU 24 HB3 GLU 24 -4.594 1.281 -0.026 202 HG2 GLU 24 HG2 GLU 24 -6.028 1.284 -1.798 203 HG3 GLU 24 HG3 GLU 24 -5.674 -0.434 -1.763 204 H LYS 25 H LYS 25 -5.597 -2.656 -0.672 205 HA LYS 25 HA LYS 25 -7.887 -3.507 0.748 206 HB2 LYS 25 HB2 LYS 25 -7.404 -3.862 -1.682 207 HB3 LYS 25 HB3 LYS 25 -6.147 -5.010 -1.274 208 HG2 LYS 25 HG2 LYS 25 -9.013 -5.487 -0.436 209 HG3 LYS 25 HG3 LYS 25 -8.472 -5.866 -2.070 210 HD2 LYS 25 HD2 LYS 25 -6.747 -7.393 -1.121 211 HD3 LYS 25 HD3 LYS 25 -7.352 -7.038 0.501 212 HE2 LYS 25 HE2 LYS 25 -9.555 -7.969 -0.128 213 HE3 LYS 25 HE3 LYS 25 -8.932 -8.337 -1.740 214 HZ1 LYS 25 HZ1 LYS 25 -8.877 -10.288 -0.321 215 HZ2 LYS 25 HZ2 LYS 25 -7.925 -9.483 0.816 216 HZ3 LYS 25 HZ3 LYS 25 -7.297 -9.821 -0.714 217 H MET 26 H MET 26 -4.570 -4.800 0.571 218 HA MET 26 HA MET 26 -4.895 -6.894 2.477 219 HB2 MET 26 HB2 MET 26 -2.354 -5.501 1.520 220 HB3 MET 26 HB3 MET 26 -2.384 -6.951 2.512 221 HG2 MET 26 HG2 MET 26 -3.828 -7.917 0.522 222 HG3 MET 26 HG3 MET 26 -3.040 -6.632 -0.387 223 HE1 MET 26 HE1 MET 26 -2.589 -9.884 1.716 224 HE2 MET 26 HE2 MET 26 -1.588 -8.766 2.647 225 HE3 MET 26 HE3 MET 26 -0.838 -10.083 1.748 226 H CYS 27 H CYS 27 -4.125 -3.507 2.747 227 HA CYS 27 HA CYS 27 -3.006 -3.553 5.383 228 HB2 CYS 27 HB2 CYS 27 -2.568 -1.779 3.711 229 HB3 CYS 27 HB3 CYS 27 -4.246 -1.254 3.818 230 H LYS 28 H LYS 28 -6.268 -3.325 4.121 231 HA LYS 28 HA LYS 28 -7.565 -2.415 6.510 232 HB2 LYS 28 HB2 LYS 28 -8.642 -3.849 4.034 233 HB3 LYS 28 HB3 LYS 28 -9.671 -3.236 5.329 234 HG2 LYS 28 HG2 LYS 28 -9.165 -0.973 4.840 235 HG3 LYS 28 HG3 LYS 28 -7.758 -1.402 3.862 236 HD2 LYS 28 HD2 LYS 28 -9.304 -2.436 2.170 237 HD3 LYS 28 HD3 LYS 28 -10.679 -1.872 3.127 238 HE2 LYS 28 HE2 LYS 28 -10.028 0.453 2.770 239 HE3 LYS 28 HE3 LYS 28 -8.547 -0.054 1.951 240 HZ1 LYS 28 HZ1 LYS 28 -9.872 -1.009 0.184 241 HZ2 LYS 28 HZ2 LYS 28 -10.261 0.622 0.393 242 HZ3 LYS 28 HZ3 LYS 28 -11.304 -0.576 0.971 243 H GLU 29 H GLU 29 -7.517 -5.626 4.933 244 HA GLU 29 HA GLU 29 -8.754 -6.932 7.201 245 HB2 GLU 29 HB2 GLU 29 -8.539 -9.005 5.801 246 HB3 GLU 29 HB3 GLU 29 -9.377 -7.688 4.994 247 HG2 GLU 29 HG2 GLU 29 -7.423 -7.197 3.631 248 HG3 GLU 29 HG3 GLU 29 -6.459 -8.367 4.532 249 H GLY 30 H GLY 30 -5.489 -6.769 5.852 250 HA2 GLY 30 HA2 GLY 30 -4.479 -8.799 7.738 251 HA3 GLY 30 HA3 GLY 30 -3.663 -8.198 6.305 252 H THR 31 H THR 31 -1.835 -8.033 7.831 253 HA THR 31 HA THR 31 -1.862 -5.897 9.806 254 HB THR 31 HB THR 31 0.602 -6.482 10.038 255 HG1 THR 31 HG1 THR 31 1.341 -8.299 8.912 256 HG21 THR 31 HG21 THR 31 0.250 -8.719 11.042 257 HG22 THR 31 HG22 THR 31 -1.324 -8.831 10.252 258 HG23 THR 31 HG23 THR 31 -1.042 -7.606 11.493 259 H SER 32 H SER 32 -1.175 -3.845 9.464 260 HA SER 32 HA SER 32 -0.994 -2.802 6.843 261 HB2 SER 32 HB2 SER 32 -0.478 -0.638 8.045 262 HB3 SER 32 HB3 SER 32 -1.914 -1.460 8.649 263 HG SER 32 HG SER 32 -0.986 -1.375 10.524 264 H GLU 33 H GLU 33 1.462 -3.559 9.304 265 HA GLU 33 HA GLU 33 3.714 -2.400 8.110 266 HB2 GLU 33 HB2 GLU 33 3.531 -4.866 9.881 267 HB3 GLU 33 HB3 GLU 33 5.052 -4.102 9.424 268 HG2 GLU 33 HG2 GLU 33 4.276 -1.992 10.526 269 HG3 GLU 33 HG3 GLU 33 2.830 -2.847 11.064 270 H ASP 34 H ASP 34 2.215 -5.556 7.468 271 HA ASP 34 HA ASP 34 4.286 -6.424 5.646 272 HB2 ASP 34 HB2 ASP 34 1.549 -7.534 6.390 273 HB3 ASP 34 HB3 ASP 34 2.429 -8.190 5.008 274 H ALA 35 H ALA 35 1.235 -4.709 5.323 275 HA ALA 35 HA ALA 35 0.931 -4.930 2.501 276 HB1 ALA 35 HB1 ALA 35 -0.700 -3.108 2.730 277 HB2 ALA 35 HB2 ALA 35 -0.129 -2.783 4.371 278 HB3 ALA 35 HB3 ALA 35 -0.923 -4.315 3.996 279 H GLU 36 H GLU 36 2.275 -2.290 4.522 280 HA GLU 36 HA GLU 36 3.201 -0.670 2.380 281 HB2 GLU 36 HB2 GLU 36 4.634 0.459 4.078 282 HB3 GLU 36 HB3 GLU 36 2.951 0.322 4.568 283 HG2 GLU 36 HG2 GLU 36 3.408 -1.058 6.328 284 HG3 GLU 36 HG3 GLU 36 4.683 -1.913 5.477 285 H ARG 37 H ARG 37 4.679 -3.369 4.116 286 HA ARG 37 HA ARG 37 7.300 -3.155 3.075 287 HB2 ARG 37 HB2 ARG 37 5.748 -5.196 4.544 288 HB3 ARG 37 HB3 ARG 37 6.811 -5.946 3.365 289 HG2 ARG 37 HG2 ARG 37 7.843 -5.796 5.598 290 HG3 ARG 37 HG3 ARG 37 8.766 -4.911 4.387 291 HD2 ARG 37 HD2 ARG 37 7.902 -2.792 5.224 292 HD3 ARG 37 HD3 ARG 37 6.836 -3.631 6.354 293 HE ARG 37 HE ARG 37 9.479 -4.432 6.833 294 HH11 ARG 37 HH11 ARG 37 7.518 -1.526 7.247 295 HH12 ARG 37 HH12 ARG 37 8.470 -0.945 8.576 296 HH21 ARG 37 HH21 ARG 37 10.691 -3.659 8.565 297 HH22 ARG 37 HH22 ARG 37 10.265 -2.155 9.317 298 H MET 38 H MET 38 4.339 -4.686 1.810 299 HA MET 38 HA MET 38 5.559 -5.710 -0.592 300 HB2 MET 38 HB2 MET 38 2.627 -5.197 0.041 301 HB3 MET 38 HB3 MET 38 3.210 -6.033 -1.391 302 HG2 MET 38 HG2 MET 38 3.489 -6.973 1.466 303 HG3 MET 38 HG3 MET 38 2.365 -7.599 0.273 304 HE1 MET 38 HE1 MET 38 6.285 -7.192 1.052 305 HE2 MET 38 HE2 MET 38 6.680 -8.906 0.927 306 HE3 MET 38 HE3 MET 38 5.492 -8.361 2.112 307 H ALA 39 H ALA 39 4.239 -2.599 0.359 308 HA ALA 39 HA ALA 39 4.040 -1.403 -2.226 309 HB1 ALA 39 HB1 ALA 39 4.048 0.749 -1.024 310 HB2 ALA 39 HB2 ALA 39 4.567 -0.066 0.455 311 HB3 ALA 39 HB3 ALA 39 2.979 -0.410 -0.230 312 H ARG 40 H ARG 40 6.643 -1.755 0.112 313 HA ARG 40 HA ARG 40 8.616 -0.227 -1.291 314 HB2 ARG 40 HB2 ARG 40 8.968 -2.379 0.851 315 HB3 ARG 40 HB3 ARG 40 10.210 -1.235 0.328 316 HG2 ARG 40 HG2 ARG 40 8.866 0.651 1.155 317 HG3 ARG 40 HG3 ARG 40 7.569 -0.452 1.605 318 HD2 ARG 40 HD2 ARG 40 9.268 -1.565 3.183 319 HD3 ARG 40 HD3 ARG 40 10.301 -0.162 2.891 320 HE ARG 40 HE ARG 40 8.015 -0.307 4.594 321 HH11 ARG 40 HH11 ARG 40 9.705 2.011 2.524 322 HH12 ARG 40 HH12 ARG 40 9.099 3.381 3.399 323 HH21 ARG 40 HH21 ARG 40 7.231 1.507 5.677 324 HH22 ARG 40 HH22 ARG 40 7.706 3.099 5.175 325 H ASN 41 H ASN 41 7.567 -3.583 -1.319 326 HA ASN 41 HA ASN 41 9.673 -4.502 -3.107 327 HB2 ASN 41 HB2 ASN 41 7.096 -5.823 -2.139 328 HB3 ASN 41 HB3 ASN 41 8.133 -6.580 -3.340 329 HD21 ASN 41 HD21 ASN 41 7.648 -6.053 -0.007 330 HD22 ASN 41 HD22 ASN 41 9.071 -6.838 0.563 331 H CYS 42 H CYS 42 6.535 -3.076 -3.408 332 HA CYS 42 HA CYS 42 5.896 -3.829 -6.072 333 HB2 CYS 42 HB2 CYS 42 4.211 -2.925 -4.463 334 HB3 CYS 42 HB3 CYS 42 4.983 -1.351 -4.543 335 H GLU 43 H GLU 43 7.198 -0.802 -4.696 336 HA GLU 43 HA GLU 43 8.438 -0.151 -7.312 337 HB2 GLU 43 HB2 GLU 43 7.009 1.740 -5.394 338 HB3 GLU 43 HB3 GLU 43 8.024 2.282 -6.724 339 HG2 GLU 43 HG2 GLU 43 5.510 0.618 -7.000 340 HG3 GLU 43 HG3 GLU 43 5.629 2.351 -7.301 341 H SER 44 H SER 44 8.563 1.042 -3.918 342 HA SER 44 HA SER 44 11.243 0.338 -3.403 343 HB2 SER 44 HB2 SER 44 12.290 2.676 -3.513 344 HB3 SER 44 HB3 SER 44 11.982 1.930 -5.078 345 HG SER 44 HG SER 44 9.884 3.444 -4.134 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -3.839 5.887 10.719 2 H2 ALA 1 H2 ALA 1 -4.548 5.044 12.003 3 H3 ALA 1 H3 ALA 1 -4.541 6.738 11.998 4 HA ALA 1 HA ALA 1 -6.718 5.829 11.404 5 HB1 ALA 1 HB1 ALA 1 -7.026 7.255 9.393 6 HB2 ALA 1 HB2 ALA 1 -5.272 7.329 9.189 7 HB3 ALA 1 HB3 ALA 1 -6.024 8.052 10.611 8 HA PRO 2 HA PRO 2 -6.751 2.002 9.209 9 HB2 PRO 2 HB2 PRO 2 -9.256 2.018 8.013 10 HB3 PRO 2 HB3 PRO 2 -8.993 1.732 9.745 11 HG2 PRO 2 HG2 PRO 2 -9.749 4.294 8.358 12 HG3 PRO 2 HG3 PRO 2 -10.429 3.583 9.842 13 HD2 PRO 2 HD2 PRO 2 -8.636 5.561 9.998 14 HD3 PRO 2 HD3 PRO 2 -8.588 4.210 11.158 15 H CYS 3 H CYS 3 -5.144 2.190 7.684 16 HA CYS 3 HA CYS 3 -4.184 1.964 5.680 17 HB2 CYS 3 HB2 CYS 3 -6.993 1.978 4.514 18 HB3 CYS 3 HB3 CYS 3 -5.533 1.388 3.715 19 H GLU 4 H GLU 4 -5.375 4.728 6.704 20 HA GLU 4 HA GLU 4 -5.483 6.354 4.321 21 HB2 GLU 4 HB2 GLU 4 -5.441 7.041 7.288 22 HB3 GLU 4 HB3 GLU 4 -5.597 8.252 6.016 23 HG2 GLU 4 HG2 GLU 4 -7.541 5.964 6.462 24 HG3 GLU 4 HG3 GLU 4 -7.762 7.598 7.086 25 H ASP 5 H ASP 5 -3.236 6.033 7.079 26 HA ASP 5 HA ASP 5 -1.242 7.855 6.310 27 HB2 ASP 5 HB2 ASP 5 -0.911 5.241 7.862 28 HB3 ASP 5 HB3 ASP 5 0.255 6.564 7.842 29 H LEU 6 H LEU 6 -1.697 4.455 5.561 30 HA LEU 6 HA LEU 6 0.698 4.055 4.086 31 HB2 LEU 6 HB2 LEU 6 -0.731 2.324 5.261 32 HB3 LEU 6 HB3 LEU 6 -1.884 2.464 3.953 33 HG LEU 6 HG LEU 6 0.967 1.740 3.239 34 HD11 LEU 6 HD11 LEU 6 0.571 -0.621 3.671 35 HD12 LEU 6 HD12 LEU 6 -1.000 -0.252 4.386 36 HD13 LEU 6 HD13 LEU 6 0.482 0.311 5.164 37 HD21 LEU 6 HD21 LEU 6 -0.120 0.371 1.498 38 HD22 LEU 6 HD22 LEU 6 -0.667 2.044 1.419 39 HD23 LEU 6 HD23 LEU 6 -1.711 0.813 2.132 40 H LYS 7 H LYS 7 -2.570 5.109 3.281 41 HA LYS 7 HA LYS 7 -2.393 4.888 0.434 42 HB2 LYS 7 HB2 LYS 7 -4.470 5.013 1.930 43 HB3 LYS 7 HB3 LYS 7 -4.231 6.753 1.966 44 HG2 LYS 7 HG2 LYS 7 -4.553 6.855 -0.479 45 HG3 LYS 7 HG3 LYS 7 -4.711 5.095 -0.542 46 HD2 LYS 7 HD2 LYS 7 -6.603 7.066 0.800 47 HD3 LYS 7 HD3 LYS 7 -6.947 6.043 -0.594 48 HE2 LYS 7 HE2 LYS 7 -6.803 4.036 0.817 49 HE3 LYS 7 HE3 LYS 7 -6.354 5.020 2.209 50 HZ1 LYS 7 HZ1 LYS 7 -8.954 5.169 0.784 51 HZ2 LYS 7 HZ2 LYS 7 -8.509 6.062 2.150 52 HZ3 LYS 7 HZ3 LYS 7 -8.673 4.386 2.260 53 H GLU 8 H GLU 8 -1.605 7.414 2.729 54 HA GLU 8 HA GLU 8 -1.172 9.494 0.813 55 HB2 GLU 8 HB2 GLU 8 -0.017 9.293 3.613 56 HB3 GLU 8 HB3 GLU 8 -0.180 10.753 2.637 57 HG2 GLU 8 HG2 GLU 8 -2.358 9.128 3.943 58 HG3 GLU 8 HG3 GLU 8 -1.919 10.796 4.273 59 H ARG 9 H ARG 9 0.793 6.902 2.128 60 HA ARG 9 HA ARG 9 3.262 7.664 0.896 61 HB2 ARG 9 HB2 ARG 9 2.237 4.882 1.630 62 HB3 ARG 9 HB3 ARG 9 3.905 5.270 1.207 63 HG2 ARG 9 HG2 ARG 9 4.088 6.699 3.203 64 HG3 ARG 9 HG3 ARG 9 2.406 6.356 3.616 65 HD2 ARG 9 HD2 ARG 9 2.978 3.952 3.862 66 HD3 ARG 9 HD3 ARG 9 4.668 4.327 3.493 67 HE ARG 9 HE ARG 9 3.723 5.904 5.655 68 HH11 ARG 9 HH11 ARG 9 4.810 2.629 4.939 69 HH12 ARG 9 HH12 ARG 9 5.313 2.319 6.569 70 HH21 ARG 9 HH21 ARG 9 4.356 5.467 7.783 71 HH22 ARG 9 HH22 ARG 9 5.056 3.932 8.184 72 H LEU 10 H LEU 10 0.487 5.615 -0.084 73 HA LEU 10 HA LEU 10 1.478 4.516 -2.448 74 HB2 LEU 10 HB2 LEU 10 -1.414 5.257 -1.835 75 HB3 LEU 10 HB3 LEU 10 -0.908 4.187 -3.134 76 HG LEU 10 HG LEU 10 -0.628 3.640 -0.156 77 HD11 LEU 10 HD11 LEU 10 -2.923 3.447 -0.915 78 HD12 LEU 10 HD12 LEU 10 -2.256 1.868 -0.515 79 HD13 LEU 10 HD13 LEU 10 -2.429 2.349 -2.204 80 HD21 LEU 10 HD21 LEU 10 1.265 2.673 -1.344 81 HD22 LEU 10 HD22 LEU 10 0.174 1.882 -2.486 82 HD23 LEU 10 HD23 LEU 10 0.167 1.414 -0.783 83 H LYS 11 H LYS 11 -0.251 7.608 -1.969 84 HA LYS 11 HA LYS 11 -0.449 8.261 -4.741 85 HB2 LYS 11 HB2 LYS 11 -1.083 10.523 -3.979 86 HB3 LYS 11 HB3 LYS 11 -1.969 9.254 -3.149 87 HG2 LYS 11 HG2 LYS 11 -0.624 9.532 -1.150 88 HG3 LYS 11 HG3 LYS 11 0.430 10.683 -1.974 89 HD2 LYS 11 HD2 LYS 11 -1.155 11.838 -0.483 90 HD3 LYS 11 HD3 LYS 11 -1.417 12.288 -2.166 91 HE2 LYS 11 HE2 LYS 11 -3.384 10.848 -2.284 92 HE3 LYS 11 HE3 LYS 11 -3.077 10.242 -0.653 93 HZ1 LYS 11 HZ1 LYS 11 -4.809 11.982 -0.726 94 HZ2 LYS 11 HZ2 LYS 11 -3.669 13.090 -1.297 95 HZ3 LYS 11 HZ3 LYS 11 -3.497 12.424 0.244 96 H LYS 12 H LYS 12 1.973 8.966 -2.263 97 HA LYS 12 HA LYS 12 3.489 10.816 -3.857 98 HB2 LYS 12 HB2 LYS 12 3.484 10.833 -1.340 99 HB3 LYS 12 HB3 LYS 12 4.347 9.294 -1.357 100 HG2 LYS 12 HG2 LYS 12 6.174 10.489 -2.711 101 HG3 LYS 12 HG3 LYS 12 5.345 11.998 -2.316 102 HD2 LYS 12 HD2 LYS 12 5.680 11.527 0.109 103 HD3 LYS 12 HD3 LYS 12 6.505 10.019 -0.310 104 HE2 LYS 12 HE2 LYS 12 8.230 11.346 -1.525 105 HE3 LYS 12 HE3 LYS 12 7.434 12.831 -1.000 106 HZ1 LYS 12 HZ1 LYS 12 9.321 12.272 0.407 107 HZ2 LYS 12 HZ2 LYS 12 8.628 10.779 0.793 108 HZ3 LYS 12 HZ3 LYS 12 7.882 12.209 1.294 109 H LEU 13 H LEU 13 3.548 7.340 -3.299 110 HA LEU 13 HA LEU 13 6.184 6.862 -4.309 111 HB2 LEU 13 HB2 LEU 13 3.844 4.964 -3.808 112 HB3 LEU 13 HB3 LEU 13 5.437 4.421 -4.310 113 HG LEU 13 HG LEU 13 4.851 5.875 -1.700 114 HD11 LEU 13 HD11 LEU 13 3.852 3.645 -1.661 115 HD12 LEU 13 HD12 LEU 13 5.228 3.742 -0.564 116 HD13 LEU 13 HD13 LEU 13 5.398 2.922 -2.121 117 HD21 LEU 13 HD21 LEU 13 7.399 4.546 -2.641 118 HD22 LEU 13 HD22 LEU 13 7.118 5.282 -1.059 119 HD23 LEU 13 HD23 LEU 13 7.115 6.283 -2.505 120 H GLY 14 H GLY 14 2.998 7.186 -5.695 121 HA2 GLY 14 HA2 GLY 14 2.220 7.226 -7.843 122 HA3 GLY 14 HA3 GLY 14 3.868 7.621 -8.307 123 H MET 15 H MET 15 2.399 4.689 -6.939 124 HA MET 15 HA MET 15 3.812 2.968 -8.780 125 HB2 MET 15 HB2 MET 15 2.761 1.172 -7.388 126 HB3 MET 15 HB3 MET 15 3.653 2.337 -6.419 127 HG2 MET 15 HG2 MET 15 1.509 3.447 -5.821 128 HG3 MET 15 HG3 MET 15 0.645 2.239 -6.766 129 HE1 MET 15 HE1 MET 15 3.839 1.404 -4.577 130 HE2 MET 15 HE2 MET 15 3.080 1.131 -3.010 131 HE3 MET 15 HE3 MET 15 3.089 2.748 -3.710 132 H SER 16 H SER 16 2.195 0.962 -9.366 133 HA SER 16 HA SER 16 0.279 1.732 -11.270 134 HB2 SER 16 HB2 SER 16 0.487 -0.876 -9.687 135 HB3 SER 16 HB3 SER 16 -0.441 -0.663 -11.170 136 HG SER 16 HG SER 16 2.343 -0.131 -11.069 137 H GLU 17 H GLU 17 -1.917 2.183 -11.084 138 HA GLU 17 HA GLU 17 -2.992 3.006 -8.600 139 HB2 GLU 17 HB2 GLU 17 -3.627 3.661 -11.104 140 HB3 GLU 17 HB3 GLU 17 -4.777 2.346 -10.962 141 HG2 GLU 17 HG2 GLU 17 -4.699 4.665 -9.002 142 HG3 GLU 17 HG3 GLU 17 -5.620 4.725 -10.500 143 H GLU 18 H GLU 18 -3.143 0.020 -10.432 144 HA GLU 18 HA GLU 18 -4.994 -1.437 -8.873 145 HB2 GLU 18 HB2 GLU 18 -4.368 -2.186 -11.094 146 HB3 GLU 18 HB3 GLU 18 -2.669 -2.271 -10.649 147 HG2 GLU 18 HG2 GLU 18 -3.243 -4.154 -9.067 148 HG3 GLU 18 HG3 GLU 18 -4.893 -4.108 -9.688 149 H CYS 19 H CYS 19 -1.517 -0.774 -8.484 150 HA CYS 19 HA CYS 19 -0.848 -2.887 -6.717 151 HB2 CYS 19 HB2 CYS 19 0.847 -1.252 -7.880 152 HB3 CYS 19 HB3 CYS 19 0.468 -0.143 -6.583 153 H ARG 20 H ARG 20 -1.866 0.480 -6.213 154 HA ARG 20 HA ARG 20 -1.973 0.791 -3.474 155 HB2 ARG 20 HB2 ARG 20 -4.114 1.618 -5.480 156 HB3 ARG 20 HB3 ARG 20 -3.904 2.314 -3.874 157 HG2 ARG 20 HG2 ARG 20 -1.984 3.498 -4.508 158 HG3 ARG 20 HG3 ARG 20 -1.731 2.506 -5.955 159 HD2 ARG 20 HD2 ARG 20 -2.779 4.842 -6.318 160 HD3 ARG 20 HD3 ARG 20 -3.545 3.453 -7.081 161 HE ARG 20 HE ARG 20 -5.362 3.620 -5.707 162 HH11 ARG 20 HH11 ARG 20 -3.037 6.142 -4.859 163 HH12 ARG 20 HH12 ARG 20 -4.183 7.044 -3.914 164 HH21 ARG 20 HH21 ARG 20 -6.829 4.777 -4.415 165 HH22 ARG 20 HH22 ARG 20 -6.340 6.262 -3.662 166 H GLN 21 H GLN 21 -4.473 -0.521 -5.626 167 HA GLN 21 HA GLN 21 -6.480 -0.829 -3.725 168 HB2 GLN 21 HB2 GLN 21 -6.101 -2.270 -6.380 169 HB3 GLN 21 HB3 GLN 21 -7.613 -2.222 -5.470 170 HG2 GLN 21 HG2 GLN 21 -7.726 0.205 -5.753 171 HG3 GLN 21 HG3 GLN 21 -6.178 0.196 -6.598 172 HE21 GLN 21 HE21 GLN 21 -6.948 1.022 -8.513 173 HE22 GLN 21 HE22 GLN 21 -8.061 0.194 -9.543 174 H ARG 22 H ARG 22 -3.937 -2.965 -4.843 175 HA ARG 22 HA ARG 22 -4.683 -5.355 -3.483 176 HB2 ARG 22 HB2 ARG 22 -2.031 -4.391 -4.639 177 HB3 ARG 22 HB3 ARG 22 -2.274 -6.009 -3.992 178 HG2 ARG 22 HG2 ARG 22 -3.972 -6.456 -5.714 179 HG3 ARG 22 HG3 ARG 22 -3.769 -4.823 -6.352 180 HD2 ARG 22 HD2 ARG 22 -1.526 -5.311 -7.087 181 HD3 ARG 22 HD3 ARG 22 -1.507 -6.852 -6.224 182 HE ARG 22 HE ARG 22 -3.623 -6.828 -8.103 183 HH11 ARG 22 HH11 ARG 22 -0.093 -7.046 -8.023 184 HH12 ARG 22 HH12 ARG 22 0.001 -7.944 -9.503 185 HH21 ARG 22 HH21 ARG 22 -3.483 -8.010 -10.025 186 HH22 ARG 22 HH22 ARG 22 -1.938 -8.495 -10.647 187 H LEU 23 H LEU 23 -2.688 -2.557 -2.656 188 HA LEU 23 HA LEU 23 -1.428 -3.746 -0.343 189 HB2 LEU 23 HB2 LEU 23 -1.510 -0.934 -1.470 190 HB3 LEU 23 HB3 LEU 23 -0.514 -1.397 -0.106 191 HG LEU 23 HG LEU 23 -0.315 -2.621 -2.876 192 HD11 LEU 23 HD11 LEU 23 1.486 -0.579 -1.600 193 HD12 LEU 23 HD12 LEU 23 0.399 -0.333 -2.970 194 HD13 LEU 23 HD13 LEU 23 1.782 -1.411 -3.130 195 HD21 LEU 23 HD21 LEU 23 1.484 -2.998 -0.475 196 HD22 LEU 23 HD22 LEU 23 1.748 -3.649 -2.096 197 HD23 LEU 23 HD23 LEU 23 0.363 -4.185 -1.152 198 H GLU 24 H GLU 24 -3.877 -1.213 -0.804 199 HA GLU 24 HA GLU 24 -4.766 -0.829 1.782 200 HB2 GLU 24 HB2 GLU 24 -6.333 -0.831 -0.835 201 HB3 GLU 24 HB3 GLU 24 -6.974 -0.216 0.689 202 HG2 GLU 24 HG2 GLU 24 -5.348 1.572 0.740 203 HG3 GLU 24 HG3 GLU 24 -4.456 0.871 -0.611 204 H LYS 25 H LYS 25 -5.498 -3.456 -0.499 205 HA LYS 25 HA LYS 25 -7.481 -4.811 1.019 206 HB2 LYS 25 HB2 LYS 25 -7.186 -5.272 -1.357 207 HB3 LYS 25 HB3 LYS 25 -5.528 -5.780 -1.100 208 HG2 LYS 25 HG2 LYS 25 -6.907 -7.728 -1.505 209 HG3 LYS 25 HG3 LYS 25 -6.324 -7.763 0.160 210 HD2 LYS 25 HD2 LYS 25 -8.685 -8.455 0.027 211 HD3 LYS 25 HD3 LYS 25 -8.520 -6.968 0.964 212 HE2 LYS 25 HE2 LYS 25 -9.334 -5.643 -0.902 213 HE3 LYS 25 HE3 LYS 25 -9.309 -7.048 -1.965 214 HZ1 LYS 25 HZ1 LYS 25 -11.041 -8.057 -0.682 215 HZ2 LYS 25 HZ2 LYS 25 -11.537 -6.519 -1.165 216 HZ3 LYS 25 HZ3 LYS 25 -11.037 -6.785 0.427 217 H MET 26 H MET 26 -3.932 -5.178 0.825 218 HA MET 26 HA MET 26 -3.677 -7.290 2.710 219 HB2 MET 26 HB2 MET 26 -1.660 -5.178 1.856 220 HB3 MET 26 HB3 MET 26 -1.268 -6.593 2.823 221 HG2 MET 26 HG2 MET 26 -2.455 -6.862 0.067 222 HG3 MET 26 HG3 MET 26 -0.730 -6.640 0.317 223 HE1 MET 26 HE1 MET 26 -3.114 -10.488 1.273 224 HE2 MET 26 HE2 MET 26 -3.697 -9.136 0.302 225 HE3 MET 26 HE3 MET 26 -3.588 -8.983 2.055 226 H CYS 27 H CYS 27 -3.844 -3.805 3.003 227 HA CYS 27 HA CYS 27 -2.966 -3.499 5.681 228 HB2 CYS 27 HB2 CYS 27 -2.961 -1.554 4.291 229 HB3 CYS 27 HB3 CYS 27 -4.642 -1.779 3.827 230 H LYS 28 H LYS 28 -6.176 -3.993 4.240 231 HA LYS 28 HA LYS 28 -7.616 -3.677 6.727 232 HB2 LYS 28 HB2 LYS 28 -8.552 -4.702 4.008 233 HB3 LYS 28 HB3 LYS 28 -9.609 -4.277 5.354 234 HG2 LYS 28 HG2 LYS 28 -9.110 -1.953 5.152 235 HG3 LYS 28 HG3 LYS 28 -7.726 -2.264 4.097 236 HD2 LYS 28 HD2 LYS 28 -9.393 -3.215 2.406 237 HD3 LYS 28 HD3 LYS 28 -10.676 -2.565 3.430 238 HE2 LYS 28 HE2 LYS 28 -8.466 -0.946 2.116 239 HE3 LYS 28 HE3 LYS 28 -10.136 -1.056 1.554 240 HZ1 LYS 28 HZ1 LYS 28 -9.857 0.945 2.800 241 HZ2 LYS 28 HZ2 LYS 28 -9.204 0.116 4.116 242 HZ3 LYS 28 HZ3 LYS 28 -10.827 -0.096 3.704 243 H GLU 29 H GLU 29 -7.287 -6.402 4.418 244 HA GLU 29 HA GLU 29 -8.378 -8.266 6.395 245 HB2 GLU 29 HB2 GLU 29 -7.815 -8.639 3.424 246 HB3 GLU 29 HB3 GLU 29 -8.632 -9.806 4.466 247 HG2 GLU 29 HG2 GLU 29 -10.383 -8.027 4.910 248 HG3 GLU 29 HG3 GLU 29 -9.609 -7.054 3.661 249 H GLY 30 H GLY 30 -5.406 -7.234 6.087 250 HA2 GLY 30 HA2 GLY 30 -4.272 -9.790 7.029 251 HA3 GLY 30 HA3 GLY 30 -3.418 -8.902 5.765 252 H THR 31 H THR 31 -1.998 -7.407 6.404 253 HA THR 31 HA THR 31 -2.263 -5.971 8.960 254 HB THR 31 HB THR 31 0.264 -6.269 9.323 255 HG1 THR 31 HG1 THR 31 1.116 -8.197 8.264 256 HG21 THR 31 HG21 THR 31 -1.351 -7.582 10.697 257 HG22 THR 31 HG22 THR 31 0.138 -8.476 10.376 258 HG23 THR 31 HG23 THR 31 -1.329 -8.854 9.471 259 H SER 32 H SER 32 -1.721 -3.852 8.725 260 HA SER 32 HA SER 32 -1.150 -2.727 6.177 261 HB2 SER 32 HB2 SER 32 -2.451 -1.542 7.951 262 HB3 SER 32 HB3 SER 32 -0.985 -1.414 8.926 263 HG SER 32 HG SER 32 -0.069 -0.218 7.141 264 H GLU 33 H GLU 33 0.842 -3.950 8.722 265 HA GLU 33 HA GLU 33 3.276 -2.561 8.148 266 HB2 GLU 33 HB2 GLU 33 2.798 -5.223 9.556 267 HB3 GLU 33 HB3 GLU 33 4.308 -4.308 9.597 268 HG2 GLU 33 HG2 GLU 33 3.250 -2.493 10.807 269 HG3 GLU 33 HG3 GLU 33 1.659 -3.236 10.620 270 H ASP 34 H ASP 34 1.966 -5.752 7.148 271 HA ASP 34 HA ASP 34 4.140 -6.323 5.338 272 HB2 ASP 34 HB2 ASP 34 1.446 -7.624 5.808 273 HB3 ASP 34 HB3 ASP 34 2.380 -8.055 4.382 274 H ALA 35 H ALA 35 1.174 -4.535 5.121 275 HA ALA 35 HA ALA 35 0.936 -4.494 2.266 276 HB1 ALA 35 HB1 ALA 35 -0.699 -2.700 2.650 277 HB2 ALA 35 HB2 ALA 35 -0.205 -2.600 4.343 278 HB3 ALA 35 HB3 ALA 35 -0.982 -4.063 3.735 279 H GLU 36 H GLU 36 2.434 -2.287 4.667 280 HA GLU 36 HA GLU 36 3.360 -0.402 2.693 281 HB2 GLU 36 HB2 GLU 36 4.600 0.675 4.481 282 HB3 GLU 36 HB3 GLU 36 3.001 0.255 5.080 283 HG2 GLU 36 HG2 GLU 36 3.873 -1.590 6.351 284 HG3 GLU 36 HG3 GLU 36 5.459 -1.433 5.599 285 H ARG 37 H ARG 37 4.647 -3.259 4.266 286 HA ARG 37 HA ARG 37 7.292 -3.314 3.375 287 HB2 ARG 37 HB2 ARG 37 6.406 -4.908 5.000 288 HB3 ARG 37 HB3 ARG 37 5.277 -5.549 3.819 289 HG2 ARG 37 HG2 ARG 37 7.225 -6.429 2.508 290 HG3 ARG 37 HG3 ARG 37 8.288 -5.885 3.811 291 HD2 ARG 37 HD2 ARG 37 7.136 -7.377 5.397 292 HD3 ARG 37 HD3 ARG 37 6.012 -7.883 4.132 293 HE ARG 37 HE ARG 37 8.741 -8.345 3.399 294 HH11 ARG 37 HH11 ARG 37 6.105 -9.736 5.298 295 HH12 ARG 37 HH12 ARG 37 6.730 -11.349 5.189 296 HH21 ARG 37 HH21 ARG 37 9.558 -10.462 3.316 297 HH22 ARG 37 HH22 ARG 37 8.689 -11.760 4.071 298 H MET 38 H MET 38 4.333 -4.528 1.774 299 HA MET 38 HA MET 38 5.710 -5.238 -0.652 300 HB2 MET 38 HB2 MET 38 2.754 -5.120 0.037 301 HB3 MET 38 HB3 MET 38 3.358 -5.637 -1.529 302 HG2 MET 38 HG2 MET 38 3.966 -7.019 1.098 303 HG3 MET 38 HG3 MET 38 2.715 -7.510 -0.035 304 HE1 MET 38 HE1 MET 38 7.204 -8.407 -0.347 305 HE2 MET 38 HE2 MET 38 6.264 -8.131 1.120 306 HE3 MET 38 HE3 MET 38 6.675 -6.777 0.066 307 H ALA 39 H ALA 39 4.204 -2.338 0.572 308 HA ALA 39 HA ALA 39 3.626 -1.036 -1.890 309 HB1 ALA 39 HB1 ALA 39 2.665 -0.295 0.256 310 HB2 ALA 39 HB2 ALA 39 3.496 1.031 -0.559 311 HB3 ALA 39 HB3 ALA 39 4.265 0.212 0.808 312 H ARG 40 H ARG 40 6.434 -0.952 0.255 313 HA ARG 40 HA ARG 40 7.972 0.777 -1.488 314 HB2 ARG 40 HB2 ARG 40 9.732 0.585 0.203 315 HB3 ARG 40 HB3 ARG 40 8.185 0.962 0.953 316 HG2 ARG 40 HG2 ARG 40 7.950 -1.477 1.544 317 HG3 ARG 40 HG3 ARG 40 9.584 -1.736 0.926 318 HD2 ARG 40 HD2 ARG 40 10.480 -0.191 2.626 319 HD3 ARG 40 HD3 ARG 40 8.844 0.122 3.225 320 HE ARG 40 HE ARG 40 10.188 -2.517 3.334 321 HH11 ARG 40 HH11 ARG 40 8.042 -0.150 4.818 322 HH12 ARG 40 HH12 ARG 40 7.729 -1.130 6.217 323 HH21 ARG 40 HH21 ARG 40 9.720 -3.821 5.127 324 HH22 ARG 40 HH22 ARG 40 8.687 -3.215 6.380 325 H ASN 41 H ASN 41 7.237 -2.447 -1.631 326 HA ASN 41 HA ASN 41 9.604 -3.038 -3.323 327 HB2 ASN 41 HB2 ASN 41 8.101 -4.917 -1.440 328 HB3 ASN 41 HB3 ASN 41 9.129 -5.506 -2.745 329 HD21 ASN 41 HD21 ASN 41 9.109 -3.796 0.300 330 HD22 ASN 41 HD22 ASN 41 10.783 -3.976 0.634 331 H CYS 42 H CYS 42 6.686 -2.017 -3.647 332 HA CYS 42 HA CYS 42 5.305 -3.830 -5.345 333 HB2 CYS 42 HB2 CYS 42 4.094 -1.983 -4.325 334 HB3 CYS 42 HB3 CYS 42 5.148 -0.790 -5.077 335 H GLU 43 H GLU 43 7.199 -0.926 -6.082 336 HA GLU 43 HA GLU 43 8.287 -2.069 -8.531 337 HB2 GLU 43 HB2 GLU 43 6.689 0.552 -8.497 338 HB3 GLU 43 HB3 GLU 43 7.722 0.038 -9.831 339 HG2 GLU 43 HG2 GLU 43 6.306 -1.908 -10.235 340 HG3 GLU 43 HG3 GLU 43 5.310 -1.512 -8.840 341 H SER 44 H SER 44 7.953 1.019 -6.783 342 HA SER 44 HA SER 44 10.851 1.440 -6.779 343 HB2 SER 44 HB2 SER 44 10.179 3.697 -5.816 344 HB3 SER 44 HB3 SER 44 9.580 3.365 -7.438 345 HG SER 44 HG SER 44 7.979 2.765 -5.191 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -4.342 6.742 12.730 2 H2 ALA 1 H2 ALA 1 -5.896 6.472 13.329 3 H3 ALA 1 H3 ALA 1 -5.440 8.022 12.839 4 HA ALA 1 HA ALA 1 -6.850 7.019 11.184 5 HB1 ALA 1 HB1 ALA 1 -5.355 7.338 9.235 6 HB2 ALA 1 HB2 ALA 1 -3.950 7.236 10.295 7 HB3 ALA 1 HB3 ALA 1 -5.081 8.578 10.460 8 HA PRO 2 HA PRO 2 -6.547 2.545 10.959 9 HB2 PRO 2 HB2 PRO 2 -8.138 2.675 8.442 10 HB3 PRO 2 HB3 PRO 2 -8.553 1.926 9.994 11 HG2 PRO 2 HG2 PRO 2 -9.783 4.159 9.200 12 HG3 PRO 2 HG3 PRO 2 -9.357 3.912 10.912 13 HD2 PRO 2 HD2 PRO 2 -7.891 5.543 8.831 14 HD3 PRO 2 HD3 PRO 2 -8.320 5.978 10.506 15 H CYS 3 H CYS 3 -6.423 3.947 7.646 16 HA CYS 3 HA CYS 3 -3.839 2.652 7.110 17 HB2 CYS 3 HB2 CYS 3 -5.872 1.129 6.495 18 HB3 CYS 3 HB3 CYS 3 -6.153 2.262 5.179 19 H GLU 4 H GLU 4 -5.138 5.418 7.354 20 HA GLU 4 HA GLU 4 -5.224 6.656 4.783 21 HB2 GLU 4 HB2 GLU 4 -4.873 7.898 7.551 22 HB3 GLU 4 HB3 GLU 4 -5.245 8.794 6.084 23 HG2 GLU 4 HG2 GLU 4 -7.040 6.637 7.230 24 HG3 GLU 4 HG3 GLU 4 -7.207 8.351 7.602 25 H ASP 5 H ASP 5 -2.780 6.322 7.285 26 HA ASP 5 HA ASP 5 -0.763 8.000 6.275 27 HB2 ASP 5 HB2 ASP 5 -0.783 7.169 8.582 28 HB3 ASP 5 HB3 ASP 5 -0.602 5.514 8.023 29 H LEU 6 H LEU 6 -1.596 4.626 5.654 30 HA LEU 6 HA LEU 6 0.675 3.964 4.046 31 HB2 LEU 6 HB2 LEU 6 -0.729 2.220 5.125 32 HB3 LEU 6 HB3 LEU 6 -2.104 2.724 4.162 33 HG LEU 6 HG LEU 6 -0.724 2.089 2.073 34 HD11 LEU 6 HD11 LEU 6 1.481 2.021 3.074 35 HD12 LEU 6 HD12 LEU 6 1.073 0.472 2.344 36 HD13 LEU 6 HD13 LEU 6 1.005 0.662 4.098 37 HD21 LEU 6 HD21 LEU 6 -1.329 -0.259 2.184 38 HD22 LEU 6 HD22 LEU 6 -2.601 0.747 2.881 39 HD23 LEU 6 HD23 LEU 6 -1.513 -0.156 3.938 40 H LYS 7 H LYS 7 -2.677 4.936 3.399 41 HA LYS 7 HA LYS 7 -2.662 4.593 0.622 42 HB2 LYS 7 HB2 LYS 7 -4.698 4.598 2.010 43 HB3 LYS 7 HB3 LYS 7 -4.462 6.303 2.385 44 HG2 LYS 7 HG2 LYS 7 -6.212 5.868 0.656 45 HG3 LYS 7 HG3 LYS 7 -4.920 6.944 0.115 46 HD2 LYS 7 HD2 LYS 7 -3.858 5.072 -1.099 47 HD3 LYS 7 HD3 LYS 7 -5.121 3.977 -0.529 48 HE2 LYS 7 HE2 LYS 7 -5.562 6.398 -2.286 49 HE3 LYS 7 HE3 LYS 7 -5.496 4.727 -2.847 50 HZ1 LYS 7 HZ1 LYS 7 -7.419 4.247 -1.418 51 HZ2 LYS 7 HZ2 LYS 7 -7.768 5.400 -2.598 52 HZ3 LYS 7 HZ3 LYS 7 -7.514 5.885 -0.998 53 H GLU 8 H GLU 8 -1.917 7.411 2.630 54 HA GLU 8 HA GLU 8 -1.795 9.250 0.463 55 HB2 GLU 8 HB2 GLU 8 -0.872 10.852 2.036 56 HB3 GLU 8 HB3 GLU 8 -2.226 10.000 2.752 57 HG2 GLU 8 HG2 GLU 8 -0.805 10.033 4.548 58 HG3 GLU 8 HG3 GLU 8 -0.330 8.501 3.825 59 H ARG 9 H ARG 9 0.594 7.071 1.934 60 HA ARG 9 HA ARG 9 2.911 7.915 0.541 61 HB2 ARG 9 HB2 ARG 9 2.133 5.033 1.175 62 HB3 ARG 9 HB3 ARG 9 3.755 5.606 0.802 63 HG2 ARG 9 HG2 ARG 9 3.901 6.783 2.887 64 HG3 ARG 9 HG3 ARG 9 2.194 6.497 3.235 65 HD2 ARG 9 HD2 ARG 9 2.696 4.030 3.278 66 HD3 ARG 9 HD3 ARG 9 4.407 4.426 3.105 67 HE ARG 9 HE ARG 9 2.957 5.614 5.357 68 HH11 ARG 9 HH11 ARG 9 5.220 3.160 4.260 69 HH12 ARG 9 HH12 ARG 9 5.834 2.836 5.844 70 HH21 ARG 9 HH21 ARG 9 3.774 5.178 7.444 71 HH22 ARG 9 HH22 ARG 9 5.005 3.995 7.657 72 H LEU 10 H LEU 10 0.298 5.706 -0.329 73 HA LEU 10 HA LEU 10 1.391 4.566 -2.645 74 HB2 LEU 10 HB2 LEU 10 -1.577 4.928 -2.079 75 HB3 LEU 10 HB3 LEU 10 -0.838 3.702 -3.097 76 HG LEU 10 HG LEU 10 -0.754 3.881 -0.072 77 HD11 LEU 10 HD11 LEU 10 -2.805 2.933 -0.962 78 HD12 LEU 10 HD12 LEU 10 -1.867 1.736 -0.078 79 HD13 LEU 10 HD13 LEU 10 -1.880 1.714 -1.844 80 HD21 LEU 10 HD21 LEU 10 0.611 1.838 -0.048 81 HD22 LEU 10 HD22 LEU 10 1.462 3.199 -0.769 82 HD23 LEU 10 HD23 LEU 10 0.789 1.936 -1.804 83 H LYS 11 H LYS 11 -0.663 7.419 -2.208 84 HA LYS 11 HA LYS 11 -0.907 8.069 -5.006 85 HB2 LYS 11 HB2 LYS 11 -1.507 9.697 -2.514 86 HB3 LYS 11 HB3 LYS 11 -1.936 10.181 -4.150 87 HG2 LYS 11 HG2 LYS 11 -3.468 8.273 -4.346 88 HG3 LYS 11 HG3 LYS 11 -2.990 7.700 -2.744 89 HD2 LYS 11 HD2 LYS 11 -5.161 8.902 -2.658 90 HD3 LYS 11 HD3 LYS 11 -3.924 9.727 -1.709 91 HE2 LYS 11 HE2 LYS 11 -3.592 11.322 -3.600 92 HE3 LYS 11 HE3 LYS 11 -4.895 10.516 -4.476 93 HZ1 LYS 11 HZ1 LYS 11 -5.218 11.815 -1.820 94 HZ2 LYS 11 HZ2 LYS 11 -6.446 11.163 -2.784 95 HZ3 LYS 11 HZ3 LYS 11 -5.611 12.539 -3.296 96 H LYS 12 H LYS 12 1.068 9.226 -2.281 97 HA LYS 12 HA LYS 12 2.102 11.595 -3.484 98 HB2 LYS 12 HB2 LYS 12 1.979 11.283 -1.065 99 HB3 LYS 12 HB3 LYS 12 3.085 9.918 -1.151 100 HG2 LYS 12 HG2 LYS 12 4.888 11.495 -1.916 101 HG3 LYS 12 HG3 LYS 12 3.762 12.836 -1.684 102 HD2 LYS 12 HD2 LYS 12 4.757 10.923 0.450 103 HD3 LYS 12 HD3 LYS 12 5.240 12.609 0.257 104 HE2 LYS 12 HE2 LYS 12 2.902 13.321 0.729 105 HE3 LYS 12 HE3 LYS 12 2.439 11.631 0.945 106 HZ1 LYS 12 HZ1 LYS 12 4.068 11.535 2.785 107 HZ2 LYS 12 HZ2 LYS 12 2.793 12.594 3.068 108 HZ3 LYS 12 HZ3 LYS 12 4.312 13.199 2.636 109 H LEU 13 H LEU 13 3.402 8.347 -3.068 110 HA LEU 13 HA LEU 13 5.929 8.896 -4.334 111 HB2 LEU 13 HB2 LEU 13 4.660 6.253 -3.518 112 HB3 LEU 13 HB3 LEU 13 6.340 6.475 -3.981 113 HG LEU 13 HG LEU 13 5.021 7.662 -1.505 114 HD11 LEU 13 HD11 LEU 13 6.391 6.074 -0.218 115 HD12 LEU 13 HD12 LEU 13 6.952 5.335 -1.724 116 HD13 LEU 13 HD13 LEU 13 5.245 5.260 -1.282 117 HD21 LEU 13 HD21 LEU 13 7.921 7.764 -2.372 118 HD22 LEU 13 HD22 LEU 13 7.282 8.315 -0.820 119 HD23 LEU 13 HD23 LEU 13 6.787 9.116 -2.306 120 H GLY 14 H GLY 14 2.764 7.776 -5.248 121 HA2 GLY 14 HA2 GLY 14 1.772 7.612 -7.279 122 HA3 GLY 14 HA3 GLY 14 3.218 8.312 -7.986 123 H MET 15 H MET 15 2.147 5.219 -6.509 124 HA MET 15 HA MET 15 3.669 3.651 -8.442 125 HB2 MET 15 HB2 MET 15 2.907 1.725 -7.078 126 HB3 MET 15 HB3 MET 15 3.686 2.944 -6.084 127 HG2 MET 15 HG2 MET 15 1.416 3.760 -5.408 128 HG3 MET 15 HG3 MET 15 0.717 2.435 -6.319 129 HE1 MET 15 HE1 MET 15 3.246 3.233 -3.316 130 HE2 MET 15 HE2 MET 15 4.108 2.024 -4.274 131 HE3 MET 15 HE3 MET 15 3.468 1.602 -2.686 132 H SER 16 H SER 16 2.101 1.552 -9.047 133 HA SER 16 HA SER 16 0.207 2.544 -10.927 134 HB2 SER 16 HB2 SER 16 0.661 -0.304 -9.930 135 HB3 SER 16 HB3 SER 16 -0.248 0.143 -11.378 136 HG SER 16 HG SER 16 2.507 0.670 -10.900 137 H GLU 17 H GLU 17 -2.061 2.392 -10.909 138 HA GLU 17 HA GLU 17 -3.474 2.769 -8.518 139 HB2 GLU 17 HB2 GLU 17 -4.323 3.506 -10.695 140 HB3 GLU 17 HB3 GLU 17 -4.462 1.840 -11.241 141 HG2 GLU 17 HG2 GLU 17 -6.296 1.397 -9.768 142 HG3 GLU 17 HG3 GLU 17 -6.040 2.894 -8.874 143 H GLU 18 H GLU 18 -2.845 -0.148 -10.424 144 HA GLU 18 HA GLU 18 -4.367 -2.007 -8.976 145 HB2 GLU 18 HB2 GLU 18 -3.434 -2.564 -11.178 146 HB3 GLU 18 HB3 GLU 18 -1.791 -2.433 -10.554 147 HG2 GLU 18 HG2 GLU 18 -2.224 -4.375 -9.047 148 HG3 GLU 18 HG3 GLU 18 -3.853 -4.505 -9.697 149 H CYS 19 H CYS 19 -1.049 -0.744 -8.494 150 HA CYS 19 HA CYS 19 -0.147 -2.629 -6.602 151 HB2 CYS 19 HB2 CYS 19 1.311 -0.823 -7.746 152 HB3 CYS 19 HB3 CYS 19 0.591 0.337 -6.656 153 H ARG 20 H ARG 20 -1.717 0.555 -6.217 154 HA ARG 20 HA ARG 20 -1.772 0.730 -3.431 155 HB2 ARG 20 HB2 ARG 20 -3.981 1.725 -5.289 156 HB3 ARG 20 HB3 ARG 20 -3.578 2.330 -3.683 157 HG2 ARG 20 HG2 ARG 20 -1.415 3.148 -4.585 158 HG3 ARG 20 HG3 ARG 20 -1.929 2.634 -6.202 159 HD2 ARG 20 HD2 ARG 20 -3.472 4.530 -4.424 160 HD3 ARG 20 HD3 ARG 20 -2.375 5.053 -5.712 161 HE ARG 20 HE ARG 20 -4.618 3.275 -6.385 162 HH11 ARG 20 HH11 ARG 20 -3.222 6.513 -6.566 163 HH12 ARG 20 HH12 ARG 20 -4.344 7.061 -7.765 164 HH21 ARG 20 HH21 ARG 20 -6.164 4.063 -7.855 165 HH22 ARG 20 HH22 ARG 20 -6.017 5.660 -8.498 166 H GLN 21 H GLN 21 -4.238 -0.501 -5.684 167 HA GLN 21 HA GLN 21 -6.244 -0.962 -3.821 168 HB2 GLN 21 HB2 GLN 21 -5.764 -2.211 -6.562 169 HB3 GLN 21 HB3 GLN 21 -7.223 -2.523 -5.622 170 HG2 GLN 21 HG2 GLN 21 -7.786 -0.137 -5.662 171 HG3 GLN 21 HG3 GLN 21 -6.305 0.213 -6.552 172 HE21 GLN 21 HE21 GLN 21 -6.160 -0.424 -8.748 173 HE22 GLN 21 HE22 GLN 21 -7.575 -0.768 -9.677 174 H ARG 22 H ARG 22 -3.583 -2.996 -4.889 175 HA ARG 22 HA ARG 22 -4.219 -5.408 -3.552 176 HB2 ARG 22 HB2 ARG 22 -1.577 -4.176 -4.443 177 HB3 ARG 22 HB3 ARG 22 -1.676 -5.782 -3.754 178 HG2 ARG 22 HG2 ARG 22 -3.137 -6.491 -5.594 179 HG3 ARG 22 HG3 ARG 22 -3.047 -4.877 -6.297 180 HD2 ARG 22 HD2 ARG 22 -0.663 -5.149 -6.715 181 HD3 ARG 22 HD3 ARG 22 -0.647 -6.691 -5.848 182 HE ARG 22 HE ARG 22 -2.483 -6.653 -8.057 183 HH11 ARG 22 HH11 ARG 22 0.900 -7.173 -7.184 184 HH12 ARG 22 HH12 ARG 22 1.228 -8.167 -8.567 185 HH21 ARG 22 HH21 ARG 22 -2.052 -7.983 -9.853 186 HH22 ARG 22 HH22 ARG 22 -0.459 -8.626 -10.088 187 H LEU 23 H LEU 23 -2.425 -2.483 -2.594 188 HA LEU 23 HA LEU 23 -1.253 -3.643 -0.241 189 HB2 LEU 23 HB2 LEU 23 -1.419 -0.778 -1.225 190 HB3 LEU 23 HB3 LEU 23 -0.394 -1.317 0.080 191 HG LEU 23 HG LEU 23 -0.192 -2.224 -2.798 192 HD11 LEU 23 HD11 LEU 23 1.647 -0.420 -1.253 193 HD12 LEU 23 HD12 LEU 23 0.570 0.044 -2.573 194 HD13 LEU 23 HD13 LEU 23 1.925 -1.036 -2.885 195 HD21 LEU 23 HD21 LEU 23 0.445 -4.022 -1.301 196 HD22 LEU 23 HD22 LEU 23 1.596 -2.961 -0.483 197 HD23 LEU 23 HD23 LEU 23 1.835 -3.397 -2.177 198 H GLU 24 H GLU 24 -3.722 -1.106 -0.744 199 HA GLU 24 HA GLU 24 -4.612 -0.686 1.832 200 HB2 GLU 24 HB2 GLU 24 -6.280 -0.833 -0.709 201 HB3 GLU 24 HB3 GLU 24 -6.830 -0.123 0.807 202 HG2 GLU 24 HG2 GLU 24 -5.117 1.630 0.620 203 HG3 GLU 24 HG3 GLU 24 -4.514 0.888 -0.868 204 H LYS 25 H LYS 25 -5.411 -3.291 -0.436 205 HA LYS 25 HA LYS 25 -7.548 -4.430 1.045 206 HB2 LYS 25 HB2 LYS 25 -7.273 -4.786 -1.365 207 HB3 LYS 25 HB3 LYS 25 -5.746 -5.623 -1.097 208 HG2 LYS 25 HG2 LYS 25 -6.911 -7.461 0.029 209 HG3 LYS 25 HG3 LYS 25 -8.448 -6.604 -0.109 210 HD2 LYS 25 HD2 LYS 25 -6.769 -7.589 -2.445 211 HD3 LYS 25 HD3 LYS 25 -8.203 -8.397 -1.811 212 HE2 LYS 25 HE2 LYS 25 -9.568 -6.417 -2.409 213 HE3 LYS 25 HE3 LYS 25 -8.128 -5.628 -3.058 214 HZ1 LYS 25 HZ1 LYS 25 -9.399 -6.627 -4.822 215 HZ2 LYS 25 HZ2 LYS 25 -9.354 -8.140 -4.072 216 HZ3 LYS 25 HZ3 LYS 25 -7.932 -7.449 -4.666 217 H MET 26 H MET 26 -4.044 -5.053 0.938 218 HA MET 26 HA MET 26 -4.077 -7.291 2.744 219 HB2 MET 26 HB2 MET 26 -1.791 -5.426 1.984 220 HB3 MET 26 HB3 MET 26 -1.612 -6.918 2.899 221 HG2 MET 26 HG2 MET 26 -2.544 -8.152 0.917 222 HG3 MET 26 HG3 MET 26 -2.474 -6.638 0.019 223 HE1 MET 26 HE1 MET 26 1.278 -8.749 1.723 224 HE2 MET 26 HE2 MET 26 -0.359 -9.362 1.945 225 HE3 MET 26 HE3 MET 26 0.145 -7.876 2.754 226 H CYS 27 H CYS 27 -3.899 -3.848 3.069 227 HA CYS 27 HA CYS 27 -3.039 -3.659 5.776 228 HB2 CYS 27 HB2 CYS 27 -2.770 -1.853 4.175 229 HB3 CYS 27 HB3 CYS 27 -4.507 -1.751 3.941 230 H LYS 28 H LYS 28 -6.215 -3.711 4.207 231 HA LYS 28 HA LYS 28 -7.683 -3.108 6.653 232 HB2 LYS 28 HB2 LYS 28 -8.643 -3.737 3.820 233 HB3 LYS 28 HB3 LYS 28 -9.681 -3.215 5.147 234 HG2 LYS 28 HG2 LYS 28 -8.536 -1.058 5.236 235 HG3 LYS 28 HG3 LYS 28 -7.411 -1.577 3.980 236 HD2 LYS 28 HD2 LYS 28 -9.363 -1.800 2.405 237 HD3 LYS 28 HD3 LYS 28 -10.412 -1.135 3.660 238 HE2 LYS 28 HE2 LYS 28 -9.047 0.936 3.647 239 HE3 LYS 28 HE3 LYS 28 -8.061 0.248 2.350 240 HZ1 LYS 28 HZ1 LYS 28 -10.988 0.763 2.162 241 HZ2 LYS 28 HZ2 LYS 28 -9.987 0.196 0.925 242 HZ3 LYS 28 HZ3 LYS 28 -9.785 1.762 1.523 243 H GLU 29 H GLU 29 -7.179 -5.773 4.401 244 HA GLU 29 HA GLU 29 -8.488 -7.692 6.256 245 HB2 GLU 29 HB2 GLU 29 -7.918 -8.022 3.271 246 HB3 GLU 29 HB3 GLU 29 -8.827 -9.132 4.296 247 HG2 GLU 29 HG2 GLU 29 -10.624 -7.548 4.549 248 HG3 GLU 29 HG3 GLU 29 -9.688 -6.276 3.775 249 H GLY 30 H GLY 30 -6.352 -7.280 7.364 250 HA2 GLY 30 HA2 GLY 30 -4.670 -9.294 7.661 251 HA3 GLY 30 HA3 GLY 30 -3.973 -8.570 6.212 252 H THR 31 H THR 31 -2.209 -7.406 6.779 253 HA THR 31 HA THR 31 -2.378 -5.552 9.091 254 HB THR 31 HB THR 31 0.036 -5.970 9.561 255 HG1 THR 31 HG1 THR 31 1.092 -7.669 8.495 256 HG21 THR 31 HG21 THR 31 -0.170 -8.196 10.599 257 HG22 THR 31 HG22 THR 31 -1.589 -8.552 9.612 258 HG23 THR 31 HG23 THR 31 -1.661 -7.278 10.831 259 H SER 32 H SER 32 -1.693 -3.505 8.679 260 HA SER 32 HA SER 32 -0.902 -2.566 6.113 261 HB2 SER 32 HB2 SER 32 -0.429 -0.422 7.393 262 HB3 SER 32 HB3 SER 32 -2.052 -1.074 7.627 263 HG SER 32 HG SER 32 -1.636 -1.239 9.660 264 H GLU 33 H GLU 33 0.780 -3.957 8.752 265 HA GLU 33 HA GLU 33 3.414 -3.020 8.454 266 HB2 GLU 33 HB2 GLU 33 2.483 -5.792 9.342 267 HB3 GLU 33 HB3 GLU 33 4.036 -5.049 9.723 268 HG2 GLU 33 HG2 GLU 33 2.972 -3.385 11.129 269 HG3 GLU 33 HG3 GLU 33 1.369 -3.908 10.612 270 H ASP 34 H ASP 34 1.777 -5.900 7.087 271 HA ASP 34 HA ASP 34 3.983 -6.528 5.329 272 HB2 ASP 34 HB2 ASP 34 1.239 -7.746 5.734 273 HB3 ASP 34 HB3 ASP 34 2.265 -8.255 4.394 274 H ALA 35 H ALA 35 1.094 -4.636 5.110 275 HA ALA 35 HA ALA 35 0.852 -4.510 2.280 276 HB1 ALA 35 HB1 ALA 35 0.015 -2.446 4.346 277 HB2 ALA 35 HB2 ALA 35 -0.952 -3.824 3.809 278 HB3 ALA 35 HB3 ALA 35 -0.541 -2.540 2.672 279 H GLU 36 H GLU 36 2.639 -2.478 4.631 280 HA GLU 36 HA GLU 36 3.721 -0.728 2.609 281 HB2 GLU 36 HB2 GLU 36 5.041 0.290 4.373 282 HB3 GLU 36 HB3 GLU 36 3.392 0.050 4.937 283 HG2 GLU 36 HG2 GLU 36 4.137 -1.967 6.182 284 HG3 GLU 36 HG3 GLU 36 5.791 -1.656 5.654 285 H ARG 37 H ARG 37 4.792 -3.690 4.208 286 HA ARG 37 HA ARG 37 7.399 -3.915 3.173 287 HB2 ARG 37 HB2 ARG 37 5.306 -6.022 3.800 288 HB3 ARG 37 HB3 ARG 37 6.898 -6.459 3.200 289 HG2 ARG 37 HG2 ARG 37 7.949 -5.461 5.163 290 HG3 ARG 37 HG3 ARG 37 6.372 -4.944 5.769 291 HD2 ARG 37 HD2 ARG 37 5.655 -7.289 5.953 292 HD3 ARG 37 HD3 ARG 37 7.202 -7.830 5.292 293 HE ARG 37 HE ARG 37 7.940 -6.376 7.460 294 HH11 ARG 37 HH11 ARG 37 5.619 -9.012 7.088 295 HH12 ARG 37 HH12 ARG 37 5.857 -9.603 8.700 296 HH21 ARG 37 HH21 ARG 37 8.279 -7.182 9.546 297 HH22 ARG 37 HH22 ARG 37 7.382 -8.556 10.111 298 H MET 38 H MET 38 4.257 -4.856 1.736 299 HA MET 38 HA MET 38 5.397 -5.826 -0.714 300 HB2 MET 38 HB2 MET 38 2.548 -5.158 0.097 301 HB3 MET 38 HB3 MET 38 2.955 -5.729 -1.514 302 HG2 MET 38 HG2 MET 38 3.503 -7.284 1.020 303 HG3 MET 38 HG3 MET 38 2.071 -7.479 0.025 304 HE1 MET 38 HE1 MET 38 5.454 -8.903 0.798 305 HE2 MET 38 HE2 MET 38 6.095 -7.625 -0.234 306 HE3 MET 38 HE3 MET 38 6.190 -9.310 -0.750 307 H ALA 39 H ALA 39 4.336 -2.719 0.481 308 HA ALA 39 HA ALA 39 3.901 -1.389 -1.989 309 HB1 ALA 39 HB1 ALA 39 4.026 0.678 -0.656 310 HB2 ALA 39 HB2 ALA 39 4.704 -0.225 0.704 311 HB3 ALA 39 HB3 ALA 39 3.053 -0.546 0.165 312 H ARG 40 H ARG 40 6.714 -1.618 0.145 313 HA ARG 40 HA ARG 40 8.414 0.023 -1.456 314 HB2 ARG 40 HB2 ARG 40 10.155 -0.508 0.124 315 HB3 ARG 40 HB3 ARG 40 8.659 -0.247 1.007 316 HG2 ARG 40 HG2 ARG 40 8.395 -2.767 1.112 317 HG3 ARG 40 HG3 ARG 40 10.032 -2.894 0.461 318 HD2 ARG 40 HD2 ARG 40 10.162 -3.100 2.855 319 HD3 ARG 40 HD3 ARG 40 10.825 -1.520 2.420 320 HE ARG 40 HE ARG 40 8.063 -1.303 3.007 321 HH11 ARG 40 HH11 ARG 40 11.147 -1.719 4.676 322 HH12 ARG 40 HH12 ARG 40 10.567 -1.005 6.148 323 HH21 ARG 40 HH21 ARG 40 7.319 -0.436 4.942 324 HH22 ARG 40 HH22 ARG 40 8.383 -0.275 6.295 325 H ASN 41 H ASN 41 7.612 -3.371 -1.436 326 HA ASN 41 HA ASN 41 9.806 -4.051 -3.285 327 HB2 ASN 41 HB2 ASN 41 7.856 -5.760 -1.702 328 HB3 ASN 41 HB3 ASN 41 8.781 -6.440 -3.038 329 HD21 ASN 41 HD21 ASN 41 8.964 -5.232 0.211 330 HD22 ASN 41 HD22 ASN 41 10.595 -5.691 0.502 331 H CYS 42 H CYS 42 6.647 -2.959 -3.463 332 HA CYS 42 HA CYS 42 5.810 -4.245 -5.902 333 HB2 CYS 42 HB2 CYS 42 4.141 -3.263 -4.373 334 HB3 CYS 42 HB3 CYS 42 4.865 -1.671 -4.552 335 H GLU 43 H GLU 43 6.769 -0.878 -5.179 336 HA GLU 43 HA GLU 43 8.271 -0.601 -7.669 337 HB2 GLU 43 HB2 GLU 43 5.724 0.985 -7.097 338 HB3 GLU 43 HB3 GLU 43 6.928 1.510 -8.267 339 HG2 GLU 43 HG2 GLU 43 6.474 -0.314 -9.729 340 HG3 GLU 43 HG3 GLU 43 5.586 -1.192 -8.487 341 H SER 44 H SER 44 6.730 1.333 -5.104 342 HA SER 44 HA SER 44 9.178 2.972 -4.856 343 HB2 SER 44 HB2 SER 44 6.288 3.660 -4.168 344 HB3 SER 44 HB3 SER 44 7.670 4.760 -4.088 345 HG SER 44 HG SER 44 7.727 3.771 -6.491 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -4.482 5.328 13.510 2 H2 ALA 1 H2 ALA 1 -6.111 4.924 13.685 3 H3 ALA 1 H3 ALA 1 -5.649 6.545 13.635 4 HA ALA 1 HA ALA 1 -6.631 5.849 11.550 5 HB1 ALA 1 HB1 ALA 1 -4.798 6.690 10.090 6 HB2 ALA 1 HB2 ALA 1 -3.657 6.466 11.417 7 HB3 ALA 1 HB3 ALA 1 -4.958 7.647 11.564 8 HA PRO 2 HA PRO 2 -5.647 1.489 10.806 9 HB2 PRO 2 HB2 PRO 2 -7.425 0.996 8.776 10 HB3 PRO 2 HB3 PRO 2 -7.916 1.171 10.473 11 HG2 PRO 2 HG2 PRO 2 -8.089 3.168 8.247 12 HG3 PRO 2 HG3 PRO 2 -9.249 2.823 9.549 13 HD2 PRO 2 HD2 PRO 2 -7.504 4.951 9.595 14 HD3 PRO 2 HD3 PRO 2 -8.171 4.191 11.057 15 H CYS 3 H CYS 3 -6.163 3.283 7.708 16 HA CYS 3 HA CYS 3 -3.628 2.191 6.649 17 HB2 CYS 3 HB2 CYS 3 -6.326 2.083 5.245 18 HB3 CYS 3 HB3 CYS 3 -4.788 1.597 4.530 19 H GLU 4 H GLU 4 -4.397 4.845 7.647 20 HA GLU 4 HA GLU 4 -4.883 6.557 5.362 21 HB2 GLU 4 HB2 GLU 4 -4.214 7.249 8.257 22 HB3 GLU 4 HB3 GLU 4 -4.741 8.402 7.027 23 HG2 GLU 4 HG2 GLU 4 -6.354 6.084 8.146 24 HG3 GLU 4 HG3 GLU 4 -6.611 7.804 8.464 25 H ASP 5 H ASP 5 -2.145 5.994 7.586 26 HA ASP 5 HA ASP 5 -0.217 7.619 6.349 27 HB2 ASP 5 HB2 ASP 5 0.133 6.574 8.579 28 HB3 ASP 5 HB3 ASP 5 0.204 4.981 7.833 29 H LEU 6 H LEU 6 -1.125 4.255 5.816 30 HA LEU 6 HA LEU 6 0.680 3.627 3.746 31 HB2 LEU 6 HB2 LEU 6 -0.535 1.966 5.091 32 HB3 LEU 6 HB3 LEU 6 -2.052 2.476 4.384 33 HG LEU 6 HG LEU 6 -0.039 1.555 2.376 34 HD11 LEU 6 HD11 LEU 6 -1.202 -0.452 4.315 35 HD12 LEU 6 HD12 LEU 6 0.501 -0.008 4.170 36 HD13 LEU 6 HD13 LEU 6 -0.309 -0.824 2.835 37 HD21 LEU 6 HD21 LEU 6 -1.978 0.359 1.429 38 HD22 LEU 6 HD22 LEU 6 -2.358 2.056 1.719 39 HD23 LEU 6 HD23 LEU 6 -2.953 0.819 2.829 40 H LYS 7 H LYS 7 -2.585 5.081 3.702 41 HA LYS 7 HA LYS 7 -2.929 4.864 0.868 42 HB2 LYS 7 HB2 LYS 7 -4.836 5.036 2.539 43 HB3 LYS 7 HB3 LYS 7 -4.472 6.751 2.698 44 HG2 LYS 7 HG2 LYS 7 -5.046 7.156 0.379 45 HG3 LYS 7 HG3 LYS 7 -5.169 5.430 0.054 46 HD2 LYS 7 HD2 LYS 7 -7.399 6.197 0.184 47 HD3 LYS 7 HD3 LYS 7 -7.107 5.379 1.715 48 HE2 LYS 7 HE2 LYS 7 -6.865 8.382 1.412 49 HE3 LYS 7 HE3 LYS 7 -8.396 7.594 1.779 50 HZ1 LYS 7 HZ1 LYS 7 -7.416 6.691 3.793 51 HZ2 LYS 7 HZ2 LYS 7 -7.304 8.376 3.781 52 HZ3 LYS 7 HZ3 LYS 7 -5.942 7.438 3.451 53 H GLU 8 H GLU 8 -1.696 7.361 2.997 54 HA GLU 8 HA GLU 8 -1.225 9.358 1.031 55 HB2 GLU 8 HB2 GLU 8 0.188 8.830 3.668 56 HB3 GLU 8 HB3 GLU 8 0.435 10.273 2.684 57 HG2 GLU 8 HG2 GLU 8 -2.194 9.416 3.925 58 HG3 GLU 8 HG3 GLU 8 -1.115 10.648 4.576 59 H ARG 9 H ARG 9 0.598 6.503 2.023 60 HA ARG 9 HA ARG 9 2.959 7.069 0.492 61 HB2 ARG 9 HB2 ARG 9 1.869 4.463 1.635 62 HB3 ARG 9 HB3 ARG 9 3.429 4.582 0.815 63 HG2 ARG 9 HG2 ARG 9 4.251 6.127 2.502 64 HG3 ARG 9 HG3 ARG 9 2.670 6.177 3.285 65 HD2 ARG 9 HD2 ARG 9 2.889 3.797 3.896 66 HD3 ARG 9 HD3 ARG 9 4.452 3.717 3.072 67 HE ARG 9 HE ARG 9 3.846 5.191 5.553 68 HH11 ARG 9 HH11 ARG 9 6.262 3.958 3.287 69 HH12 ARG 9 HH12 ARG 9 7.591 4.301 4.347 70 HH21 ARG 9 HH21 ARG 9 5.611 5.690 6.893 71 HH22 ARG 9 HH22 ARG 9 7.218 5.278 6.387 72 H LEU 10 H LEU 10 -0.147 5.572 -0.242 73 HA LEU 10 HA LEU 10 0.500 4.375 -2.720 74 HB2 LEU 10 HB2 LEU 10 -2.172 5.622 -1.982 75 HB3 LEU 10 HB3 LEU 10 -1.891 4.411 -3.225 76 HG LEU 10 HG LEU 10 -1.683 4.006 -0.219 77 HD11 LEU 10 HD11 LEU 10 -3.588 2.525 -0.472 78 HD12 LEU 10 HD12 LEU 10 -3.652 2.864 -2.204 79 HD13 LEU 10 HD13 LEU 10 -3.972 4.149 -1.037 80 HD21 LEU 10 HD21 LEU 10 0.021 2.633 -1.295 81 HD22 LEU 10 HD22 LEU 10 -1.179 1.962 -2.401 82 HD23 LEU 10 HD23 LEU 10 -1.281 1.628 -0.670 83 H LYS 11 H LYS 11 -0.644 7.667 -1.917 84 HA LYS 11 HA LYS 11 -0.553 8.565 -4.658 85 HB2 LYS 11 HB2 LYS 11 -1.200 10.764 -3.811 86 HB3 LYS 11 HB3 LYS 11 -2.216 9.510 -3.112 87 HG2 LYS 11 HG2 LYS 11 -1.022 9.648 -1.001 88 HG3 LYS 11 HG3 LYS 11 0.131 10.793 -1.683 89 HD2 LYS 11 HD2 LYS 11 -2.850 11.372 -1.436 90 HD3 LYS 11 HD3 LYS 11 -1.676 11.785 -0.185 91 HE2 LYS 11 HE2 LYS 11 -2.038 13.767 -1.461 92 HE3 LYS 11 HE3 LYS 11 -0.454 13.162 -1.930 93 HZ1 LYS 11 HZ1 LYS 11 -2.963 12.780 -3.475 94 HZ2 LYS 11 HZ2 LYS 11 -1.423 12.268 -3.950 95 HZ3 LYS 11 HZ3 LYS 11 -1.766 13.916 -3.822 96 H LYS 12 H LYS 12 1.678 8.679 -1.913 97 HA LYS 12 HA LYS 12 3.357 10.799 -2.891 98 HB2 LYS 12 HB2 LYS 12 3.100 9.904 -0.431 99 HB3 LYS 12 HB3 LYS 12 4.277 8.685 -0.891 100 HG2 LYS 12 HG2 LYS 12 4.810 11.671 -1.097 101 HG3 LYS 12 HG3 LYS 12 5.159 10.736 0.356 102 HD2 LYS 12 HD2 LYS 12 6.801 9.394 -0.848 103 HD3 LYS 12 HD3 LYS 12 6.362 10.158 -2.376 104 HE2 LYS 12 HE2 LYS 12 7.622 11.581 -0.006 105 HE3 LYS 12 HE3 LYS 12 8.467 11.070 -1.466 106 HZ1 LYS 12 HZ1 LYS 12 7.007 12.554 -2.751 107 HZ2 LYS 12 HZ2 LYS 12 7.923 13.393 -1.610 108 HZ3 LYS 12 HZ3 LYS 12 6.288 13.090 -1.319 109 H LEU 13 H LEU 13 3.521 7.259 -2.964 110 HA LEU 13 HA LEU 13 5.950 7.149 -4.516 111 HB2 LEU 13 HB2 LEU 13 3.924 5.080 -3.612 112 HB3 LEU 13 HB3 LEU 13 5.140 4.655 -4.804 113 HG LEU 13 HG LEU 13 6.946 5.117 -3.197 114 HD11 LEU 13 HD11 LEU 13 5.957 6.905 -1.891 115 HD12 LEU 13 HD12 LEU 13 6.519 5.606 -0.842 116 HD13 LEU 13 HD13 LEU 13 4.794 5.782 -1.185 117 HD21 LEU 13 HD21 LEU 13 6.021 2.855 -3.269 118 HD22 LEU 13 HD22 LEU 13 4.839 3.279 -2.027 119 HD23 LEU 13 HD23 LEU 13 6.564 3.259 -1.640 120 H GLY 14 H GLY 14 2.609 7.625 -5.218 121 HA2 GLY 14 HA2 GLY 14 1.376 7.813 -7.138 122 HA3 GLY 14 HA3 GLY 14 2.900 8.221 -7.929 123 H MET 15 H MET 15 1.520 5.272 -6.476 124 HA MET 15 HA MET 15 3.117 3.600 -8.155 125 HB2 MET 15 HB2 MET 15 2.159 1.790 -6.758 126 HB3 MET 15 HB3 MET 15 2.830 3.101 -5.804 127 HG2 MET 15 HG2 MET 15 0.520 3.957 -5.437 128 HG3 MET 15 HG3 MET 15 -0.101 2.577 -6.325 129 HE1 MET 15 HE1 MET 15 2.242 3.501 -3.203 130 HE2 MET 15 HE2 MET 15 3.086 2.199 -4.044 131 HE3 MET 15 HE3 MET 15 2.364 1.907 -2.460 132 H SER 16 H SER 16 1.976 1.472 -8.938 133 HA SER 16 HA SER 16 0.309 2.042 -11.139 134 HB2 SER 16 HB2 SER 16 0.743 -0.633 -9.730 135 HB3 SER 16 HB3 SER 16 0.159 -0.414 -11.381 136 HG SER 16 HG SER 16 2.736 0.089 -10.325 137 H GLU 17 H GLU 17 -1.914 1.503 -11.514 138 HA GLU 17 HA GLU 17 -3.689 2.062 -9.368 139 HB2 GLU 17 HB2 GLU 17 -3.942 2.136 -12.160 140 HB3 GLU 17 HB3 GLU 17 -4.942 0.760 -11.752 141 HG2 GLU 17 HG2 GLU 17 -6.345 2.710 -11.821 142 HG3 GLU 17 HG3 GLU 17 -6.199 2.194 -10.138 143 H GLU 18 H GLU 18 -2.366 -0.904 -10.667 144 HA GLU 18 HA GLU 18 -4.087 -2.685 -9.238 145 HB2 GLU 18 HB2 GLU 18 -2.712 -3.462 -11.146 146 HB3 GLU 18 HB3 GLU 18 -1.241 -3.041 -10.276 147 HG2 GLU 18 HG2 GLU 18 -1.980 -4.766 -8.509 148 HG3 GLU 18 HG3 GLU 18 -3.180 -5.294 -9.687 149 H CYS 19 H CYS 19 -1.098 -0.925 -8.494 150 HA CYS 19 HA CYS 19 -0.203 -2.529 -6.347 151 HB2 CYS 19 HB2 CYS 19 1.150 -0.747 -7.675 152 HB3 CYS 19 HB3 CYS 19 0.362 0.444 -6.668 153 H ARG 20 H ARG 20 -1.911 0.615 -6.370 154 HA ARG 20 HA ARG 20 -2.161 0.741 -3.554 155 HB2 ARG 20 HB2 ARG 20 -3.963 2.584 -4.178 156 HB3 ARG 20 HB3 ARG 20 -2.251 2.862 -4.402 157 HG2 ARG 20 HG2 ARG 20 -3.439 3.762 -6.257 158 HG3 ARG 20 HG3 ARG 20 -2.501 2.377 -6.810 159 HD2 ARG 20 HD2 ARG 20 -4.783 2.526 -7.805 160 HD3 ARG 20 HD3 ARG 20 -4.490 1.018 -6.941 161 HE ARG 20 HE ARG 20 -6.124 1.553 -5.465 162 HH11 ARG 20 HH11 ARG 20 -5.441 4.456 -7.377 163 HH12 ARG 20 HH12 ARG 20 -6.786 5.335 -6.722 164 HH21 ARG 20 HH21 ARG 20 -7.836 2.806 -4.585 165 HH22 ARG 20 HH22 ARG 20 -8.114 4.413 -5.171 166 H GLN 21 H GLN 21 -4.319 -0.633 -6.001 167 HA GLN 21 HA GLN 21 -6.576 -0.987 -4.256 168 HB2 GLN 21 HB2 GLN 21 -5.844 -2.299 -6.904 169 HB3 GLN 21 HB3 GLN 21 -7.322 -2.690 -6.021 170 HG2 GLN 21 HG2 GLN 21 -7.953 -0.270 -6.140 171 HG3 GLN 21 HG3 GLN 21 -6.561 0.001 -7.188 172 HE21 GLN 21 HE21 GLN 21 -6.613 -0.914 -9.317 173 HE22 GLN 21 HE22 GLN 21 -8.083 -1.433 -10.042 174 H ARG 22 H ARG 22 -3.754 -2.927 -5.070 175 HA ARG 22 HA ARG 22 -4.443 -5.284 -3.660 176 HB2 ARG 22 HB2 ARG 22 -1.806 -4.069 -4.558 177 HB3 ARG 22 HB3 ARG 22 -1.821 -5.517 -3.563 178 HG2 ARG 22 HG2 ARG 22 -3.192 -6.654 -5.312 179 HG3 ARG 22 HG3 ARG 22 -3.035 -5.216 -6.325 180 HD2 ARG 22 HD2 ARG 22 -0.647 -5.522 -6.497 181 HD3 ARG 22 HD3 ARG 22 -0.658 -6.795 -5.274 182 HE ARG 22 HE ARG 22 -2.240 -7.335 -7.642 183 HH11 ARG 22 HH11 ARG 22 0.938 -7.720 -6.158 184 HH12 ARG 22 HH12 ARG 22 1.373 -9.063 -7.164 185 HH21 ARG 22 HH21 ARG 22 -1.674 -9.141 -8.897 186 HH22 ARG 22 HH22 ARG 22 -0.111 -9.868 -8.718 187 H LEU 23 H LEU 23 -2.705 -2.313 -2.737 188 HA LEU 23 HA LEU 23 -1.733 -3.394 -0.279 189 HB2 LEU 23 HB2 LEU 23 -1.641 -0.615 -1.459 190 HB3 LEU 23 HB3 LEU 23 -0.822 -1.072 0.016 191 HG LEU 23 HG LEU 23 -0.290 -2.205 -2.746 192 HD11 LEU 23 HD11 LEU 23 1.438 -0.424 -1.040 193 HD12 LEU 23 HD12 LEU 23 0.559 0.044 -2.499 194 HD13 LEU 23 HD13 LEU 23 1.876 -1.121 -2.605 195 HD21 LEU 23 HD21 LEU 23 0.043 -3.975 -1.120 196 HD22 LEU 23 HD22 LEU 23 1.074 -2.930 -0.140 197 HD23 LEU 23 HD23 LEU 23 1.596 -3.433 -1.749 198 H GLU 24 H GLU 24 -4.345 -1.091 -1.076 199 HA GLU 24 HA GLU 24 -5.187 -0.511 1.549 200 HB2 GLU 24 HB2 GLU 24 -6.660 -0.654 -1.101 201 HB3 GLU 24 HB3 GLU 24 -7.540 -0.309 0.383 202 HG2 GLU 24 HG2 GLU 24 -5.159 1.344 -0.494 203 HG3 GLU 24 HG3 GLU 24 -6.793 1.676 -1.069 204 H LYS 25 H LYS 25 -5.816 -3.284 -0.568 205 HA LYS 25 HA LYS 25 -7.773 -4.579 1.098 206 HB2 LYS 25 HB2 LYS 25 -7.727 -5.091 -1.277 207 HB3 LYS 25 HB3 LYS 25 -6.045 -5.591 -1.196 208 HG2 LYS 25 HG2 LYS 25 -6.652 -7.580 0.093 209 HG3 LYS 25 HG3 LYS 25 -8.338 -7.066 0.150 210 HD2 LYS 25 HD2 LYS 25 -6.790 -7.798 -2.369 211 HD3 LYS 25 HD3 LYS 25 -7.942 -8.844 -1.537 212 HE2 LYS 25 HE2 LYS 25 -8.583 -6.192 -2.877 213 HE3 LYS 25 HE3 LYS 25 -8.965 -7.800 -3.498 214 HZ1 LYS 25 HZ1 LYS 25 -10.867 -6.717 -2.415 215 HZ2 LYS 25 HZ2 LYS 25 -10.024 -6.687 -0.947 216 HZ3 LYS 25 HZ3 LYS 25 -10.444 -8.164 -1.653 217 H MET 26 H MET 26 -4.293 -4.917 0.645 218 HA MET 26 HA MET 26 -3.876 -7.134 2.357 219 HB2 MET 26 HB2 MET 26 -1.948 -5.008 1.352 220 HB3 MET 26 HB3 MET 26 -1.459 -6.446 2.237 221 HG2 MET 26 HG2 MET 26 -2.827 -6.435 -0.464 222 HG3 MET 26 HG3 MET 26 -1.103 -6.662 -0.193 223 HE1 MET 26 HE1 MET 26 -1.160 -8.519 2.455 224 HE2 MET 26 HE2 MET 26 -0.087 -8.785 1.082 225 HE3 MET 26 HE3 MET 26 -1.072 -10.110 1.703 226 H CYS 27 H CYS 27 -4.049 -3.677 2.851 227 HA CYS 27 HA CYS 27 -2.825 -3.596 5.434 228 HB2 CYS 27 HB2 CYS 27 -2.835 -1.608 4.017 229 HB3 CYS 27 HB3 CYS 27 -4.595 -1.582 4.017 230 H LYS 28 H LYS 28 -6.209 -3.695 4.299 231 HA LYS 28 HA LYS 28 -7.239 -3.318 7.024 232 HB2 LYS 28 HB2 LYS 28 -8.830 -3.752 4.459 233 HB3 LYS 28 HB3 LYS 28 -9.434 -3.110 5.987 234 HG2 LYS 28 HG2 LYS 28 -8.070 -1.091 5.706 235 HG3 LYS 28 HG3 LYS 28 -7.371 -1.747 4.225 236 HD2 LYS 28 HD2 LYS 28 -9.940 -1.859 3.479 237 HD3 LYS 28 HD3 LYS 28 -10.120 -0.615 4.717 238 HE2 LYS 28 HE2 LYS 28 -8.352 -0.502 2.248 239 HE3 LYS 28 HE3 LYS 28 -9.809 0.444 2.555 240 HZ1 LYS 28 HZ1 LYS 28 -7.859 1.770 2.932 241 HZ2 LYS 28 HZ2 LYS 28 -7.236 0.644 4.022 242 HZ3 LYS 28 HZ3 LYS 28 -8.629 1.508 4.410 243 H GLU 29 H GLU 29 -7.421 -5.746 4.433 244 HA GLU 29 HA GLU 29 -8.809 -7.697 6.087 245 HB2 GLU 29 HB2 GLU 29 -7.839 -7.870 3.200 246 HB3 GLU 29 HB3 GLU 29 -8.880 -9.052 3.999 247 HG2 GLU 29 HG2 GLU 29 -10.640 -7.358 4.251 248 HG3 GLU 29 HG3 GLU 29 -9.591 -6.141 3.521 249 H GLY 30 H GLY 30 -5.629 -6.818 5.799 250 HA2 GLY 30 HA2 GLY 30 -4.761 -9.397 6.989 251 HA3 GLY 30 HA3 GLY 30 -3.768 -8.591 5.774 252 H THR 31 H THR 31 -2.382 -7.021 6.421 253 HA THR 31 HA THR 31 -2.817 -5.445 8.847 254 HB THR 31 HB THR 31 -0.317 -5.774 9.510 255 HG1 THR 31 HG1 THR 31 -0.612 -7.678 7.532 256 HG21 THR 31 HG21 THR 31 -2.147 -6.647 10.927 257 HG22 THR 31 HG22 THR 31 -0.750 -7.729 10.924 258 HG23 THR 31 HG23 THR 31 -2.178 -8.128 9.966 259 H SER 32 H SER 32 -1.950 -3.406 8.685 260 HA SER 32 HA SER 32 -1.099 -2.278 6.270 261 HB2 SER 32 HB2 SER 32 -2.070 -0.937 8.111 262 HB3 SER 32 HB3 SER 32 -0.659 -1.255 9.116 263 HG SER 32 HG SER 32 0.582 -0.168 7.410 264 H GLU 33 H GLU 33 0.675 -3.780 8.888 265 HA GLU 33 HA GLU 33 3.278 -2.842 8.593 266 HB2 GLU 33 HB2 GLU 33 2.483 -5.698 9.303 267 HB3 GLU 33 HB3 GLU 33 3.967 -4.866 9.778 268 HG2 GLU 33 HG2 GLU 33 2.708 -3.378 11.235 269 HG3 GLU 33 HG3 GLU 33 1.180 -4.070 10.677 270 H ASP 34 H ASP 34 1.779 -5.700 7.163 271 HA ASP 34 HA ASP 34 4.031 -6.528 5.630 272 HB2 ASP 34 HB2 ASP 34 2.426 -8.177 6.373 273 HB3 ASP 34 HB3 ASP 34 1.094 -7.332 5.588 274 H ALA 35 H ALA 35 1.080 -4.718 4.934 275 HA ALA 35 HA ALA 35 1.303 -4.695 2.106 276 HB1 ALA 35 HB1 ALA 35 -0.518 -3.068 2.208 277 HB2 ALA 35 HB2 ALA 35 -0.235 -2.841 3.939 278 HB3 ALA 35 HB3 ALA 35 -0.799 -4.400 3.332 279 H GLU 36 H GLU 36 2.478 -2.414 4.576 280 HA GLU 36 HA GLU 36 3.312 -0.395 2.689 281 HB2 GLU 36 HB2 GLU 36 4.392 0.711 4.613 282 HB3 GLU 36 HB3 GLU 36 2.736 0.240 4.999 283 HG2 GLU 36 HG2 GLU 36 3.656 -1.792 6.146 284 HG3 GLU 36 HG3 GLU 36 5.278 -1.162 5.856 285 H ARG 37 H ARG 37 4.806 -3.167 4.281 286 HA ARG 37 HA ARG 37 7.453 -2.796 3.274 287 HB2 ARG 37 HB2 ARG 37 5.999 -5.293 4.230 288 HB3 ARG 37 HB3 ARG 37 7.675 -5.306 3.686 289 HG2 ARG 37 HG2 ARG 37 8.221 -3.656 5.476 290 HG3 ARG 37 HG3 ARG 37 6.563 -3.805 6.071 291 HD2 ARG 37 HD2 ARG 37 8.517 -6.116 5.818 292 HD3 ARG 37 HD3 ARG 37 8.244 -5.211 7.308 293 HE ARG 37 HE ARG 37 6.281 -6.970 5.953 294 HH11 ARG 37 HH11 ARG 37 7.346 -5.321 8.908 295 HH12 ARG 37 HH12 ARG 37 6.160 -6.102 9.911 296 HH21 ARG 37 HH21 ARG 37 4.729 -7.979 7.308 297 HH22 ARG 37 HH22 ARG 37 4.685 -7.604 9.002 298 H MET 38 H MET 38 4.504 -4.213 1.941 299 HA MET 38 HA MET 38 5.804 -5.250 -0.424 300 HB2 MET 38 HB2 MET 38 2.865 -4.929 0.277 301 HB3 MET 38 HB3 MET 38 3.417 -5.587 -1.255 302 HG2 MET 38 HG2 MET 38 4.072 -6.808 1.442 303 HG3 MET 38 HG3 MET 38 2.718 -7.303 0.437 304 HE1 MET 38 HE1 MET 38 6.445 -7.867 1.270 305 HE2 MET 38 HE2 MET 38 6.719 -6.701 -0.025 306 HE3 MET 38 HE3 MET 38 7.160 -8.394 -0.251 307 H ALA 39 H ALA 39 4.364 -2.223 0.565 308 HA ALA 39 HA ALA 39 4.025 -1.012 -1.977 309 HB1 ALA 39 HB1 ALA 39 3.051 -0.087 0.086 310 HB2 ALA 39 HB2 ALA 39 4.020 1.126 -0.753 311 HB3 ALA 39 HB3 ALA 39 4.662 0.320 0.684 312 H ARG 40 H ARG 40 6.782 -1.143 0.243 313 HA ARG 40 HA ARG 40 8.497 0.489 -1.415 314 HB2 ARG 40 HB2 ARG 40 10.160 0.228 0.307 315 HB3 ARG 40 HB3 ARG 40 8.608 0.496 1.091 316 HG2 ARG 40 HG2 ARG 40 8.441 -1.933 1.558 317 HG3 ARG 40 HG3 ARG 40 10.011 -2.183 0.794 318 HD2 ARG 40 HD2 ARG 40 10.991 -0.615 2.550 319 HD3 ARG 40 HD3 ARG 40 9.416 -0.656 3.355 320 HE ARG 40 HE ARG 40 10.637 -3.235 2.803 321 HH11 ARG 40 HH11 ARG 40 10.178 -0.713 5.231 322 HH12 ARG 40 HH12 ARG 40 10.566 -1.761 6.558 323 HH21 ARG 40 HH21 ARG 40 11.126 -4.589 4.538 324 HH22 ARG 40 HH22 ARG 40 11.106 -3.970 6.162 325 H ASN 41 H ASN 41 7.447 -2.482 -2.019 326 HA ASN 41 HA ASN 41 9.906 -3.230 -3.497 327 HB2 ASN 41 HB2 ASN 41 7.949 -5.044 -2.030 328 HB3 ASN 41 HB3 ASN 41 8.920 -5.647 -3.370 329 HD21 ASN 41 HD21 ASN 41 9.020 -4.464 -0.084 330 HD22 ASN 41 HD22 ASN 41 10.606 -5.035 0.274 331 H CYS 42 H CYS 42 6.539 -2.546 -3.528 332 HA CYS 42 HA CYS 42 5.580 -4.039 -5.717 333 HB2 CYS 42 HB2 CYS 42 4.135 -2.910 -4.042 334 HB3 CYS 42 HB3 CYS 42 4.627 -1.346 -4.660 335 H GLU 43 H GLU 43 6.787 -0.714 -5.518 336 HA GLU 43 HA GLU 43 6.844 -0.479 -8.467 337 HB2 GLU 43 HB2 GLU 43 7.034 1.734 -6.376 338 HB3 GLU 43 HB3 GLU 43 6.891 1.943 -8.121 339 HG2 GLU 43 HG2 GLU 43 4.800 0.746 -6.290 340 HG3 GLU 43 HG3 GLU 43 4.771 2.372 -6.971 341 H SER 44 H SER 44 8.695 0.464 -5.571 342 HA SER 44 HA SER 44 11.256 0.024 -6.963 343 HB2 SER 44 HB2 SER 44 10.577 2.617 -5.496 344 HB3 SER 44 HB3 SER 44 12.096 2.231 -6.305 345 HG SER 44 HG SER 44 10.420 1.877 -8.168 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -3.319 7.439 12.203 2 H2 ALA 1 H2 ALA 1 -2.614 6.379 11.092 3 H3 ALA 1 H3 ALA 1 -3.282 5.782 12.519 4 HA ALA 1 HA ALA 1 -5.463 6.375 11.850 5 HB1 ALA 1 HB1 ALA 1 -4.869 8.433 10.639 6 HB2 ALA 1 HB2 ALA 1 -5.878 7.392 9.635 7 HB3 ALA 1 HB3 ALA 1 -4.138 7.477 9.345 8 HA PRO 2 HA PRO 2 -5.311 2.238 10.268 9 HB2 PRO 2 HB2 PRO 2 -7.930 1.774 9.602 10 HB3 PRO 2 HB3 PRO 2 -7.389 1.957 11.286 11 HG2 PRO 2 HG2 PRO 2 -8.686 4.004 9.492 12 HG3 PRO 2 HG3 PRO 2 -9.029 3.628 11.198 13 HD2 PRO 2 HD2 PRO 2 -7.476 5.746 10.454 14 HD3 PRO 2 HD3 PRO 2 -7.216 4.865 11.975 15 H CYS 3 H CYS 3 -4.002 2.344 8.466 16 HA CYS 3 HA CYS 3 -3.338 2.001 6.351 17 HB2 CYS 3 HB2 CYS 3 -6.274 1.627 5.653 18 HB3 CYS 3 HB3 CYS 3 -4.902 1.111 4.673 19 H GLU 4 H GLU 4 -4.716 4.743 7.291 20 HA GLU 4 HA GLU 4 -5.415 5.980 4.756 21 HB2 GLU 4 HB2 GLU 4 -5.267 7.139 7.561 22 HB3 GLU 4 HB3 GLU 4 -5.882 7.999 6.154 23 HG2 GLU 4 HG2 GLU 4 -7.092 5.441 7.267 24 HG3 GLU 4 HG3 GLU 4 -7.651 7.065 7.665 25 H ASP 5 H ASP 5 -2.830 6.251 7.212 26 HA ASP 5 HA ASP 5 -1.306 8.334 6.038 27 HB2 ASP 5 HB2 ASP 5 -0.106 5.959 7.546 28 HB3 ASP 5 HB3 ASP 5 0.580 7.575 7.371 29 H LEU 6 H LEU 6 -1.365 4.872 5.611 30 HA LEU 6 HA LEU 6 0.825 4.604 3.834 31 HB2 LEU 6 HB2 LEU 6 -0.164 2.819 5.291 32 HB3 LEU 6 HB3 LEU 6 -1.573 2.785 4.255 33 HG LEU 6 HG LEU 6 1.025 2.300 2.841 34 HD11 LEU 6 HD11 LEU 6 1.237 -0.028 3.573 35 HD12 LEU 6 HD12 LEU 6 -0.044 0.217 4.764 36 HD13 LEU 6 HD13 LEU 6 1.484 1.088 4.915 37 HD21 LEU 6 HD21 LEU 6 -1.648 0.837 2.773 38 HD22 LEU 6 HD22 LEU 6 -0.289 0.557 1.680 39 HD23 LEU 6 HD23 LEU 6 -1.131 2.105 1.656 40 H LYS 7 H LYS 7 -2.709 4.799 3.361 41 HA LYS 7 HA LYS 7 -2.862 4.514 0.582 42 HB2 LYS 7 HB2 LYS 7 -4.804 4.351 2.058 43 HB3 LYS 7 HB3 LYS 7 -4.657 6.049 2.486 44 HG2 LYS 7 HG2 LYS 7 -5.141 6.609 0.059 45 HG3 LYS 7 HG3 LYS 7 -5.478 4.895 -0.205 46 HD2 LYS 7 HD2 LYS 7 -7.569 6.118 0.163 47 HD3 LYS 7 HD3 LYS 7 -7.284 4.992 1.494 48 HE2 LYS 7 HE2 LYS 7 -6.416 6.883 2.871 49 HE3 LYS 7 HE3 LYS 7 -6.756 7.988 1.539 50 HZ1 LYS 7 HZ1 LYS 7 -8.742 6.382 3.037 51 HZ2 LYS 7 HZ2 LYS 7 -9.101 7.410 1.744 52 HZ3 LYS 7 HZ3 LYS 7 -8.487 8.044 3.186 53 H GLU 8 H GLU 8 -2.488 7.469 2.546 54 HA GLU 8 HA GLU 8 -2.689 9.274 0.326 55 HB2 GLU 8 HB2 GLU 8 -2.212 11.048 1.889 56 HB3 GLU 8 HB3 GLU 8 -3.321 9.918 2.658 57 HG2 GLU 8 HG2 GLU 8 -1.423 8.933 3.909 58 HG3 GLU 8 HG3 GLU 8 -0.336 10.104 3.167 59 H ARG 9 H ARG 9 -0.076 7.522 1.871 60 HA ARG 9 HA ARG 9 2.044 8.934 0.532 61 HB2 ARG 9 HB2 ARG 9 1.960 6.275 1.981 62 HB3 ARG 9 HB3 ARG 9 3.423 6.874 1.194 63 HG2 ARG 9 HG2 ARG 9 3.372 8.887 2.631 64 HG3 ARG 9 HG3 ARG 9 1.913 8.286 3.421 65 HD2 ARG 9 HD2 ARG 9 3.786 7.803 4.843 66 HD3 ARG 9 HD3 ARG 9 3.208 6.283 4.157 67 HE ARG 9 HE ARG 9 5.345 7.440 2.621 68 HH11 ARG 9 HH11 ARG 9 4.675 5.453 5.445 69 HH12 ARG 9 HH12 ARG 9 6.224 4.683 5.415 70 HH21 ARG 9 HH21 ARG 9 7.368 6.433 2.617 71 HH22 ARG 9 HH22 ARG 9 7.757 5.239 3.808 72 H LEU 10 H LEU 10 -0.082 6.231 -0.287 73 HA LEU 10 HA LEU 10 1.416 5.086 -2.400 74 HB2 LEU 10 HB2 LEU 10 -1.617 5.178 -2.163 75 HB3 LEU 10 HB3 LEU 10 -0.689 4.074 -3.171 76 HG LEU 10 HG LEU 10 -0.814 4.110 -0.139 77 HD11 LEU 10 HD11 LEU 10 -1.785 1.900 -0.334 78 HD12 LEU 10 HD12 LEU 10 -1.705 2.003 -2.092 79 HD13 LEU 10 HD13 LEU 10 -2.751 3.101 -1.191 80 HD21 LEU 10 HD21 LEU 10 1.483 3.599 -0.784 81 HD22 LEU 10 HD22 LEU 10 0.913 2.329 -1.870 82 HD23 LEU 10 HD23 LEU 10 0.684 2.173 -0.127 83 H LYS 11 H LYS 11 -0.950 7.718 -2.363 84 HA LYS 11 HA LYS 11 -0.749 8.269 -5.194 85 HB2 LYS 11 HB2 LYS 11 -2.140 10.260 -4.702 86 HB3 LYS 11 HB3 LYS 11 -2.836 8.784 -4.042 87 HG2 LYS 11 HG2 LYS 11 -2.010 9.381 -1.797 88 HG3 LYS 11 HG3 LYS 11 -1.289 10.856 -2.440 89 HD2 LYS 11 HD2 LYS 11 -4.263 10.199 -2.395 90 HD3 LYS 11 HD3 LYS 11 -3.429 11.281 -1.278 91 HE2 LYS 11 HE2 LYS 11 -3.711 11.706 -4.279 92 HE3 LYS 11 HE3 LYS 11 -4.616 12.553 -3.023 93 HZ1 LYS 11 HZ1 LYS 11 -2.739 13.833 -3.881 94 HZ2 LYS 11 HZ2 LYS 11 -1.671 12.646 -3.335 95 HZ3 LYS 11 HZ3 LYS 11 -2.590 13.527 -2.227 96 H LYS 12 H LYS 12 0.945 9.288 -2.301 97 HA LYS 12 HA LYS 12 1.979 11.777 -3.249 98 HB2 LYS 12 HB2 LYS 12 1.810 11.456 -0.875 99 HB3 LYS 12 HB3 LYS 12 2.698 9.947 -0.938 100 HG2 LYS 12 HG2 LYS 12 4.046 11.686 0.095 101 HG3 LYS 12 HG3 LYS 12 4.779 11.149 -1.418 102 HD2 LYS 12 HD2 LYS 12 3.836 13.169 -2.557 103 HD3 LYS 12 HD3 LYS 12 3.182 13.713 -1.007 104 HE2 LYS 12 HE2 LYS 12 5.435 13.920 -0.092 105 HE3 LYS 12 HE3 LYS 12 6.133 13.237 -1.562 106 HZ1 LYS 12 HZ1 LYS 12 5.270 15.147 -2.778 107 HZ2 LYS 12 HZ2 LYS 12 6.351 15.603 -1.564 108 HZ3 LYS 12 HZ3 LYS 12 4.688 15.813 -1.337 109 H LEU 13 H LEU 13 3.425 8.481 -3.034 110 HA LEU 13 HA LEU 13 5.785 9.376 -4.510 111 HB2 LEU 13 HB2 LEU 13 6.883 7.473 -3.871 112 HB3 LEU 13 HB3 LEU 13 5.738 7.604 -2.556 113 HG LEU 13 HG LEU 13 5.524 5.668 -4.905 114 HD11 LEU 13 HD11 LEU 13 7.345 5.109 -3.385 115 HD12 LEU 13 HD12 LEU 13 6.038 3.935 -3.250 116 HD13 LEU 13 HD13 LEU 13 6.243 5.175 -2.005 117 HD21 LEU 13 HD21 LEU 13 3.681 4.614 -3.691 118 HD22 LEU 13 HD22 LEU 13 3.297 6.294 -4.059 119 HD23 LEU 13 HD23 LEU 13 3.785 5.842 -2.424 120 H GLY 14 H GLY 14 2.730 7.905 -5.085 121 HA2 GLY 14 HA2 GLY 14 1.564 7.515 -6.997 122 HA3 GLY 14 HA3 GLY 14 2.803 8.415 -7.858 123 H MET 15 H MET 15 2.065 5.223 -6.474 124 HA MET 15 HA MET 15 4.065 3.899 -8.153 125 HB2 MET 15 HB2 MET 15 3.438 1.911 -6.802 126 HB3 MET 15 HB3 MET 15 3.963 3.259 -5.817 127 HG2 MET 15 HG2 MET 15 1.342 3.715 -5.648 128 HG3 MET 15 HG3 MET 15 1.264 1.986 -5.996 129 HE1 MET 15 HE1 MET 15 3.809 0.881 -2.978 130 HE2 MET 15 HE2 MET 15 4.405 1.598 -4.474 131 HE3 MET 15 HE3 MET 15 3.168 0.341 -4.527 132 H SER 16 H SER 16 2.810 1.475 -8.709 133 HA SER 16 HA SER 16 1.088 1.977 -10.876 134 HB2 SER 16 HB2 SER 16 1.311 -0.561 -9.193 135 HB3 SER 16 HB3 SER 16 0.587 -0.458 -10.798 136 HG SER 16 HG SER 16 3.053 0.592 -10.854 137 H GLU 17 H GLU 17 -1.146 2.106 -11.050 138 HA GLU 17 HA GLU 17 -2.609 3.112 -8.858 139 HB2 GLU 17 HB2 GLU 17 -2.964 3.464 -11.423 140 HB3 GLU 17 HB3 GLU 17 -3.894 1.982 -11.373 141 HG2 GLU 17 HG2 GLU 17 -4.560 4.357 -9.611 142 HG3 GLU 17 HG3 GLU 17 -5.157 4.226 -11.262 143 H GLU 18 H GLU 18 -2.503 -0.053 -10.402 144 HA GLU 18 HA GLU 18 -4.478 -1.295 -8.766 145 HB2 GLU 18 HB2 GLU 18 -3.831 -2.114 -11.032 146 HB3 GLU 18 HB3 GLU 18 -2.254 -2.580 -10.403 147 HG2 GLU 18 HG2 GLU 18 -3.414 -4.181 -8.844 148 HG3 GLU 18 HG3 GLU 18 -4.944 -3.766 -9.617 149 H CYS 19 H CYS 19 -1.005 -0.717 -8.382 150 HA CYS 19 HA CYS 19 -0.292 -2.677 -6.500 151 HB2 CYS 19 HB2 CYS 19 1.318 -0.858 -7.523 152 HB3 CYS 19 HB3 CYS 19 0.717 0.197 -6.272 153 H ARG 20 H ARG 20 -1.613 0.577 -6.067 154 HA ARG 20 HA ARG 20 -1.868 0.821 -3.320 155 HB2 ARG 20 HB2 ARG 20 -3.994 1.642 -5.347 156 HB3 ARG 20 HB3 ARG 20 -3.702 2.375 -3.768 157 HG2 ARG 20 HG2 ARG 20 -1.807 3.539 -4.530 158 HG3 ARG 20 HG3 ARG 20 -1.589 2.477 -5.930 159 HD2 ARG 20 HD2 ARG 20 -2.579 4.779 -6.433 160 HD3 ARG 20 HD3 ARG 20 -3.459 3.374 -7.050 161 HE ARG 20 HE ARG 20 -5.108 3.645 -5.411 162 HH11 ARG 20 HH11 ARG 20 -2.825 6.326 -5.377 163 HH12 ARG 20 HH12 ARG 20 -3.899 7.367 -4.500 164 HH21 ARG 20 HH21 ARG 20 -6.470 4.995 -4.257 165 HH22 ARG 20 HH22 ARG 20 -5.979 6.606 -3.861 166 H GLN 21 H GLN 21 -4.177 -0.519 -5.669 167 HA GLN 21 HA GLN 21 -6.338 -0.993 -3.992 168 HB2 GLN 21 HB2 GLN 21 -5.576 -2.538 -6.505 169 HB3 GLN 21 HB3 GLN 21 -7.186 -2.474 -5.783 170 HG2 GLN 21 HG2 GLN 21 -7.359 -0.100 -6.300 171 HG3 GLN 21 HG3 GLN 21 -5.705 -0.084 -6.920 172 HE21 GLN 21 HE21 GLN 21 -6.219 0.523 -8.963 173 HE22 GLN 21 HE22 GLN 21 -7.111 -0.443 -10.080 174 H ARG 22 H ARG 22 -3.535 -2.934 -4.792 175 HA ARG 22 HA ARG 22 -4.244 -5.346 -3.431 176 HB2 ARG 22 HB2 ARG 22 -1.561 -4.229 -4.360 177 HB3 ARG 22 HB3 ARG 22 -1.796 -5.867 -3.765 178 HG2 ARG 22 HG2 ARG 22 -3.271 -6.386 -5.643 179 HG3 ARG 22 HG3 ARG 22 -3.173 -4.718 -6.220 180 HD2 ARG 22 HD2 ARG 22 -0.792 -4.990 -6.700 181 HD3 ARG 22 HD3 ARG 22 -0.803 -6.613 -5.999 182 HE ARG 22 HE ARG 22 -1.831 -5.797 -8.609 183 HH11 ARG 22 HH11 ARG 22 -1.671 -8.371 -6.218 184 HH12 ARG 22 HH12 ARG 22 -2.082 -9.613 -7.350 185 HH21 ARG 22 HH21 ARG 22 -2.321 -7.447 -10.084 186 HH22 ARG 22 HH22 ARG 22 -2.452 -9.091 -9.546 187 H LEU 23 H LEU 23 -2.316 -2.448 -2.573 188 HA LEU 23 HA LEU 23 -1.179 -3.549 -0.201 189 HB2 LEU 23 HB2 LEU 23 -1.408 -0.675 -1.132 190 HB3 LEU 23 HB3 LEU 23 -0.382 -1.224 0.170 191 HG LEU 23 HG LEU 23 -0.087 -1.868 -2.770 192 HD11 LEU 23 HD11 LEU 23 0.719 0.324 -2.184 193 HD12 LEU 23 HD12 LEU 23 2.048 -0.748 -2.614 194 HD13 LEU 23 HD13 LEU 23 1.741 -0.367 -0.918 195 HD21 LEU 23 HD21 LEU 23 0.441 -3.890 -1.531 196 HD22 LEU 23 HD22 LEU 23 1.547 -2.986 -0.494 197 HD23 LEU 23 HD23 LEU 23 1.905 -3.180 -2.211 198 H GLU 24 H GLU 24 -3.599 -0.970 -0.672 199 HA GLU 24 HA GLU 24 -4.394 -0.480 1.917 200 HB2 GLU 24 HB2 GLU 24 -6.125 -0.515 -0.597 201 HB3 GLU 24 HB3 GLU 24 -6.584 0.252 0.924 202 HG2 GLU 24 HG2 GLU 24 -4.771 1.872 0.704 203 HG3 GLU 24 HG3 GLU 24 -4.174 1.053 -0.742 204 H LYS 25 H LYS 25 -5.355 -3.080 -0.264 205 HA LYS 25 HA LYS 25 -7.531 -4.100 1.261 206 HB2 LYS 25 HB2 LYS 25 -7.107 -4.368 -1.224 207 HB3 LYS 25 HB3 LYS 25 -5.861 -5.546 -0.828 208 HG2 LYS 25 HG2 LYS 25 -7.564 -7.000 0.205 209 HG3 LYS 25 HG3 LYS 25 -8.810 -5.798 -0.141 210 HD2 LYS 25 HD2 LYS 25 -8.904 -7.561 -1.818 211 HD3 LYS 25 HD3 LYS 25 -8.368 -6.063 -2.580 212 HE2 LYS 25 HE2 LYS 25 -7.048 -7.969 -3.406 213 HE3 LYS 25 HE3 LYS 25 -6.014 -6.873 -2.489 214 HZ1 LYS 25 HZ1 LYS 25 -5.647 -9.218 -1.959 215 HZ2 LYS 25 HZ2 LYS 25 -7.232 -9.342 -1.405 216 HZ3 LYS 25 HZ3 LYS 25 -6.144 -8.333 -0.609 217 H MET 26 H MET 26 -4.107 -5.140 0.867 218 HA MET 26 HA MET 26 -4.169 -7.354 2.632 219 HB2 MET 26 HB2 MET 26 -1.796 -5.618 1.823 220 HB3 MET 26 HB3 MET 26 -1.662 -7.146 2.686 221 HG2 MET 26 HG2 MET 26 -2.807 -8.229 0.698 222 HG3 MET 26 HG3 MET 26 -2.605 -6.700 -0.144 223 HE1 MET 26 HE1 MET 26 -0.769 -9.809 1.443 224 HE2 MET 26 HE2 MET 26 -0.106 -8.485 2.408 225 HE3 MET 26 HE3 MET 26 0.923 -9.341 1.263 226 H CYS 27 H CYS 27 -3.700 -3.931 3.133 227 HA CYS 27 HA CYS 27 -2.674 -3.914 5.757 228 HB2 CYS 27 HB2 CYS 27 -2.591 -1.953 4.272 229 HB3 CYS 27 HB3 CYS 27 -4.346 -1.835 4.297 230 H LYS 28 H LYS 28 -5.974 -4.083 4.488 231 HA LYS 28 HA LYS 28 -7.275 -3.712 7.069 232 HB2 LYS 28 HB2 LYS 28 -8.434 -4.553 4.384 233 HB3 LYS 28 HB3 LYS 28 -9.363 -4.018 5.786 234 HG2 LYS 28 HG2 LYS 28 -8.535 -1.777 5.582 235 HG3 LYS 28 HG3 LYS 28 -7.321 -2.265 4.396 236 HD2 LYS 28 HD2 LYS 28 -9.241 -2.895 2.841 237 HD3 LYS 28 HD3 LYS 28 -10.337 -2.139 4.008 238 HE2 LYS 28 HE2 LYS 28 -8.043 -0.743 2.576 239 HE3 LYS 28 HE3 LYS 28 -9.749 -0.608 2.147 240 HZ1 LYS 28 HZ1 LYS 28 -8.596 0.213 4.762 241 HZ2 LYS 28 HZ2 LYS 28 -10.194 0.428 4.252 242 HZ3 LYS 28 HZ3 LYS 28 -8.943 1.260 3.482 243 H GLU 29 H GLU 29 -6.880 -6.371 4.715 244 HA GLU 29 HA GLU 29 -8.208 -8.429 6.096 245 HB2 GLU 29 HB2 GLU 29 -5.875 -8.640 4.145 246 HB3 GLU 29 HB3 GLU 29 -6.908 -9.982 4.636 247 HG2 GLU 29 HG2 GLU 29 -8.837 -8.914 3.568 248 HG3 GLU 29 HG3 GLU 29 -7.849 -7.522 3.125 249 H GLY 30 H GLY 30 -4.703 -7.963 5.721 250 HA2 GLY 30 HA2 GLY 30 -4.138 -9.388 8.228 251 HA3 GLY 30 HA3 GLY 30 -2.972 -8.899 7.002 252 H THR 31 H THR 31 -1.640 -7.402 7.758 253 HA THR 31 HA THR 31 -2.707 -5.161 9.386 254 HB THR 31 HB THR 31 -0.571 -5.029 10.582 255 HG1 THR 31 HG1 THR 31 0.186 -7.088 8.798 256 HG21 THR 31 HG21 THR 31 -1.577 -7.901 10.621 257 HG22 THR 31 HG22 THR 31 -2.239 -6.569 11.572 258 HG23 THR 31 HG23 THR 31 -0.597 -7.139 11.875 259 H SER 32 H SER 32 -1.282 -3.215 9.196 260 HA SER 32 HA SER 32 -0.891 -2.449 6.503 261 HB2 SER 32 HB2 SER 32 0.112 -0.359 7.511 262 HB3 SER 32 HB3 SER 32 -1.477 -0.771 8.160 263 HG SER 32 HG SER 32 -0.425 -1.692 9.956 264 H GLU 33 H GLU 33 1.215 -3.919 8.878 265 HA GLU 33 HA GLU 33 3.747 -3.371 7.759 266 HB2 GLU 33 HB2 GLU 33 2.813 -5.708 9.471 267 HB3 GLU 33 HB3 GLU 33 4.504 -5.405 9.054 268 HG2 GLU 33 HG2 GLU 33 4.397 -3.218 10.178 269 HG3 GLU 33 HG3 GLU 33 2.709 -3.509 10.591 270 H ASP 34 H ASP 34 1.269 -5.676 6.828 271 HA ASP 34 HA ASP 34 2.846 -7.197 4.971 272 HB2 ASP 34 HB2 ASP 34 -0.165 -6.663 5.068 273 HB3 ASP 34 HB3 ASP 34 0.596 -7.750 3.909 274 H ALA 35 H ALA 35 0.730 -4.361 4.710 275 HA ALA 35 HA ALA 35 0.714 -4.111 1.896 276 HB1 ALA 35 HB1 ALA 35 0.126 -2.053 4.045 277 HB2 ALA 35 HB2 ALA 35 -1.027 -3.198 3.356 278 HB3 ALA 35 HB3 ALA 35 -0.342 -1.923 2.346 279 H GLU 36 H GLU 36 2.607 -2.369 4.383 280 HA GLU 36 HA GLU 36 3.951 -0.626 2.568 281 HB2 GLU 36 HB2 GLU 36 5.371 -0.069 4.548 282 HB3 GLU 36 HB3 GLU 36 3.651 0.014 4.890 283 HG2 GLU 36 HG2 GLU 36 4.118 -1.224 6.724 284 HG3 GLU 36 HG3 GLU 36 4.190 -2.579 5.638 285 H ARG 37 H ARG 37 4.683 -3.783 3.957 286 HA ARG 37 HA ARG 37 7.362 -4.088 3.079 287 HB2 ARG 37 HB2 ARG 37 6.187 -5.508 4.785 288 HB3 ARG 37 HB3 ARG 37 5.224 -6.218 3.496 289 HG2 ARG 37 HG2 ARG 37 7.415 -7.033 2.468 290 HG3 ARG 37 HG3 ARG 37 8.211 -6.517 3.963 291 HD2 ARG 37 HD2 ARG 37 6.059 -8.637 3.636 292 HD3 ARG 37 HD3 ARG 37 7.728 -8.872 4.161 293 HE ARG 37 HE ARG 37 7.028 -7.410 6.149 294 HH11 ARG 37 HH11 ARG 37 4.838 -9.652 4.561 295 HH12 ARG 37 HH12 ARG 37 3.873 -9.902 5.975 296 HH21 ARG 37 HH21 ARG 37 5.743 -7.725 7.992 297 HH22 ARG 37 HH22 ARG 37 4.386 -8.806 7.933 298 H MET 38 H MET 38 4.224 -4.686 1.659 299 HA MET 38 HA MET 38 5.271 -5.881 -0.781 300 HB2 MET 38 HB2 MET 38 2.460 -5.074 0.033 301 HB3 MET 38 HB3 MET 38 2.846 -5.761 -1.540 302 HG2 MET 38 HG2 MET 38 3.297 -7.157 1.113 303 HG3 MET 38 HG3 MET 38 1.918 -7.416 0.052 304 HE1 MET 38 HE1 MET 38 6.064 -9.312 -0.346 305 HE2 MET 38 HE2 MET 38 5.235 -8.801 1.124 306 HE3 MET 38 HE3 MET 38 5.956 -7.599 0.052 307 H ALA 39 H ALA 39 4.521 -2.673 0.335 308 HA ALA 39 HA ALA 39 4.327 -1.338 -2.173 309 HB1 ALA 39 HB1 ALA 39 3.592 -0.290 -0.064 310 HB2 ALA 39 HB2 ALA 39 4.780 0.722 -0.889 311 HB3 ALA 39 HB3 ALA 39 5.261 -0.247 0.508 312 H ARG 40 H ARG 40 7.024 -1.919 0.064 313 HA ARG 40 HA ARG 40 9.054 -0.978 -1.789 314 HB2 ARG 40 HB2 ARG 40 10.661 -1.681 0.015 315 HB3 ARG 40 HB3 ARG 40 9.431 -0.547 0.564 316 HG2 ARG 40 HG2 ARG 40 8.153 -2.529 1.493 317 HG3 ARG 40 HG3 ARG 40 9.554 -3.529 1.115 318 HD2 ARG 40 HD2 ARG 40 10.927 -2.361 2.697 319 HD3 ARG 40 HD3 ARG 40 9.733 -1.077 2.897 320 HE ARG 40 HE ARG 40 8.268 -2.782 3.964 321 HH11 ARG 40 HH11 ARG 40 11.757 -3.313 4.016 322 HH12 ARG 40 HH12 ARG 40 11.690 -4.317 5.430 323 HH21 ARG 40 HH21 ARG 40 8.217 -4.099 5.794 324 HH22 ARG 40 HH22 ARG 40 9.687 -4.762 6.435 325 H ASN 41 H ASN 41 7.239 -3.734 -1.749 326 HA ASN 41 HA ASN 41 9.286 -5.246 -3.282 327 HB2 ASN 41 HB2 ASN 41 7.060 -6.249 -1.480 328 HB3 ASN 41 HB3 ASN 41 7.632 -7.260 -2.799 329 HD21 ASN 41 HD21 ASN 41 9.577 -5.169 -0.650 330 HD22 ASN 41 HD22 ASN 41 10.494 -6.455 0.023 331 H CYS 42 H CYS 42 7.126 -3.090 -3.946 332 HA CYS 42 HA CYS 42 5.443 -4.569 -5.867 333 HB2 CYS 42 HB2 CYS 42 4.436 -2.833 -4.329 334 HB3 CYS 42 HB3 CYS 42 5.385 -1.606 -5.152 335 H GLU 43 H GLU 43 6.782 -1.305 -6.290 336 HA GLU 43 HA GLU 43 8.756 -2.052 -8.261 337 HB2 GLU 43 HB2 GLU 43 7.571 -0.307 -9.935 338 HB3 GLU 43 HB3 GLU 43 7.150 -2.007 -9.943 339 HG2 GLU 43 HG2 GLU 43 5.135 -0.663 -10.099 340 HG3 GLU 43 HG3 GLU 43 5.151 -1.552 -8.583 341 H SER 44 H SER 44 7.897 -0.334 -5.712 342 HA SER 44 HA SER 44 9.144 2.233 -6.343 343 HB2 SER 44 HB2 SER 44 7.783 1.191 -3.817 344 HB3 SER 44 HB3 SER 44 8.395 2.835 -4.027 345 HG SER 44 HG SER 44 6.326 1.567 -5.512 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -3.562 9.412 11.919 2 H2 ALA 1 H2 ALA 1 -2.710 8.264 11.016 3 H3 ALA 1 H3 ALA 1 -3.288 7.871 12.556 4 HA ALA 1 HA ALA 1 -5.546 8.060 11.823 5 HB1 ALA 1 HB1 ALA 1 -6.056 8.483 9.445 6 HB2 ALA 1 HB2 ALA 1 -4.336 8.683 9.109 7 HB3 ALA 1 HB3 ALA 1 -5.169 9.834 10.156 8 HA PRO 2 HA PRO 2 -4.901 3.667 11.369 9 HB2 PRO 2 HB2 PRO 2 -7.454 2.793 10.768 10 HB3 PRO 2 HB3 PRO 2 -6.975 3.360 12.378 11 HG2 PRO 2 HG2 PRO 2 -8.397 4.862 10.203 12 HG3 PRO 2 HG3 PRO 2 -8.758 4.788 11.945 13 HD2 PRO 2 HD2 PRO 2 -7.435 6.889 10.886 14 HD3 PRO 2 HD3 PRO 2 -7.046 6.270 12.506 15 H CYS 3 H CYS 3 -3.503 3.641 9.569 16 HA CYS 3 HA CYS 3 -2.706 2.887 7.603 17 HB2 CYS 3 HB2 CYS 3 -4.203 0.958 8.023 18 HB3 CYS 3 HB3 CYS 3 -5.484 1.754 7.118 19 H GLU 4 H GLU 4 -4.570 5.409 7.835 20 HA GLU 4 HA GLU 4 -5.421 5.932 5.116 21 HB2 GLU 4 HB2 GLU 4 -6.566 6.694 7.293 22 HB3 GLU 4 HB3 GLU 4 -5.281 7.870 7.468 23 HG2 GLU 4 HG2 GLU 4 -7.139 7.767 5.082 24 HG3 GLU 4 HG3 GLU 4 -7.480 8.708 6.528 25 H ASP 5 H ASP 5 -2.835 6.941 7.333 26 HA ASP 5 HA ASP 5 -1.398 8.690 5.640 27 HB2 ASP 5 HB2 ASP 5 -0.196 6.838 7.756 28 HB3 ASP 5 HB3 ASP 5 0.530 8.303 7.113 29 H LEU 6 H LEU 6 -1.275 5.191 6.113 30 HA LEU 6 HA LEU 6 0.921 4.548 4.461 31 HB2 LEU 6 HB2 LEU 6 -0.122 3.048 6.153 32 HB3 LEU 6 HB3 LEU 6 -1.541 2.871 5.140 33 HG LEU 6 HG LEU 6 1.189 1.992 4.117 34 HD11 LEU 6 HD11 LEU 6 0.902 0.924 6.304 35 HD12 LEU 6 HD12 LEU 6 0.818 -0.250 4.999 36 HD13 LEU 6 HD13 LEU 6 -0.663 0.282 5.803 37 HD21 LEU 6 HD21 LEU 6 -1.612 0.981 3.475 38 HD22 LEU 6 HD22 LEU 6 -0.104 0.379 2.778 39 HD23 LEU 6 HD23 LEU 6 -0.625 2.028 2.452 40 H LYS 7 H LYS 7 -2.574 4.514 3.821 41 HA LYS 7 HA LYS 7 -2.716 3.947 1.118 42 HB2 LYS 7 HB2 LYS 7 -4.685 4.123 2.534 43 HB3 LYS 7 HB3 LYS 7 -4.371 5.823 2.844 44 HG2 LYS 7 HG2 LYS 7 -4.751 6.200 0.329 45 HG3 LYS 7 HG3 LYS 7 -5.364 4.546 0.287 46 HD2 LYS 7 HD2 LYS 7 -7.221 6.134 0.505 47 HD3 LYS 7 HD3 LYS 7 -7.098 5.147 1.963 48 HE2 LYS 7 HE2 LYS 7 -6.026 6.960 3.163 49 HE3 LYS 7 HE3 LYS 7 -5.933 7.936 1.699 50 HZ1 LYS 7 HZ1 LYS 7 -7.747 8.619 3.149 51 HZ2 LYS 7 HZ2 LYS 7 -8.454 7.085 3.022 52 HZ3 LYS 7 HZ3 LYS 7 -8.328 8.073 1.656 53 H GLU 8 H GLU 8 -2.169 7.090 2.672 54 HA GLU 8 HA GLU 8 -2.105 8.623 0.257 55 HB2 GLU 8 HB2 GLU 8 -1.284 9.275 3.104 56 HB3 GLU 8 HB3 GLU 8 -1.193 10.442 1.788 57 HG2 GLU 8 HG2 GLU 8 -3.685 9.096 2.846 58 HG3 GLU 8 HG3 GLU 8 -3.228 10.785 3.055 59 H ARG 9 H ARG 9 0.371 6.928 2.108 60 HA ARG 9 HA ARG 9 2.694 7.995 0.913 61 HB2 ARG 9 HB2 ARG 9 2.085 5.176 1.885 62 HB3 ARG 9 HB3 ARG 9 3.661 5.630 1.254 63 HG2 ARG 9 HG2 ARG 9 4.035 7.166 3.069 64 HG3 ARG 9 HG3 ARG 9 2.381 6.955 3.659 65 HD2 ARG 9 HD2 ARG 9 2.800 4.755 4.417 66 HD3 ARG 9 HD3 ARG 9 4.256 4.587 3.432 67 HE ARG 9 HE ARG 9 4.867 6.613 5.131 68 HH11 ARG 9 HH11 ARG 9 3.840 3.271 5.613 69 HH12 ARG 9 HH12 ARG 9 4.665 3.109 7.129 70 HH21 ARG 9 HH21 ARG 9 5.980 6.356 7.126 71 HH22 ARG 9 HH22 ARG 9 5.871 4.849 7.979 72 H LEU 10 H LEU 10 0.496 5.410 -0.058 73 HA LEU 10 HA LEU 10 1.917 4.344 -2.237 74 HB2 LEU 10 HB2 LEU 10 -1.119 4.334 -2.003 75 HB3 LEU 10 HB3 LEU 10 -0.096 3.132 -2.773 76 HG LEU 10 HG LEU 10 -0.366 3.628 0.208 77 HD11 LEU 10 HD11 LEU 10 -1.292 1.273 -1.446 78 HD12 LEU 10 HD12 LEU 10 -2.317 2.526 -0.743 79 HD13 LEU 10 HD13 LEU 10 -1.424 1.429 0.307 80 HD21 LEU 10 HD21 LEU 10 1.391 1.581 -1.183 81 HD22 LEU 10 HD22 LEU 10 1.068 1.639 0.550 82 HD23 LEU 10 HD23 LEU 10 1.934 2.961 -0.226 83 H LYS 11 H LYS 11 -0.662 6.729 -2.081 84 HA LYS 11 HA LYS 11 -1.010 7.153 -4.888 85 HB2 LYS 11 HB2 LYS 11 -1.832 8.847 -2.485 86 HB3 LYS 11 HB3 LYS 11 -2.419 9.084 -4.131 87 HG2 LYS 11 HG2 LYS 11 -3.638 7.029 -4.110 88 HG3 LYS 11 HG3 LYS 11 -2.815 6.467 -2.653 89 HD2 LYS 11 HD2 LYS 11 -5.136 7.195 -2.179 90 HD3 LYS 11 HD3 LYS 11 -3.952 8.162 -1.302 91 HE2 LYS 11 HE2 LYS 11 -4.190 9.960 -2.992 92 HE3 LYS 11 HE3 LYS 11 -5.395 8.992 -3.845 93 HZ1 LYS 11 HZ1 LYS 11 -6.792 9.077 -1.882 94 HZ2 LYS 11 HZ2 LYS 11 -6.424 10.638 -2.412 95 HZ3 LYS 11 HZ3 LYS 11 -5.634 9.993 -1.061 96 H LYS 12 H LYS 12 0.720 8.917 -2.317 97 HA LYS 12 HA LYS 12 1.619 11.138 -3.844 98 HB2 LYS 12 HB2 LYS 12 1.576 11.072 -1.343 99 HB3 LYS 12 HB3 LYS 12 2.880 9.883 -1.357 100 HG2 LYS 12 HG2 LYS 12 4.342 11.598 -2.478 101 HG3 LYS 12 HG3 LYS 12 3.044 12.779 -2.284 102 HD2 LYS 12 HD2 LYS 12 3.184 12.571 0.159 103 HD3 LYS 12 HD3 LYS 12 4.400 11.298 -0.002 104 HE2 LYS 12 HE2 LYS 12 5.947 12.921 -1.059 105 HE3 LYS 12 HE3 LYS 12 4.736 14.192 -0.871 106 HZ1 LYS 12 HZ1 LYS 12 6.420 14.237 0.882 107 HZ2 LYS 12 HZ2 LYS 12 5.978 12.678 1.366 108 HZ3 LYS 12 HZ3 LYS 12 4.876 13.954 1.517 109 H LEU 13 H LEU 13 2.901 7.941 -3.242 110 HA LEU 13 HA LEU 13 5.602 8.418 -4.073 111 HB2 LEU 13 HB2 LEU 13 4.651 6.677 -2.421 112 HB3 LEU 13 HB3 LEU 13 4.190 5.720 -3.809 113 HG LEU 13 HG LEU 13 7.094 6.511 -3.368 114 HD11 LEU 13 HD11 LEU 13 5.749 4.089 -2.107 115 HD12 LEU 13 HD12 LEU 13 6.294 5.530 -1.241 116 HD13 LEU 13 HD13 LEU 13 7.471 4.489 -2.044 117 HD21 LEU 13 HD21 LEU 13 6.523 5.496 -5.547 118 HD22 LEU 13 HD22 LEU 13 5.866 4.079 -4.727 119 HD23 LEU 13 HD23 LEU 13 7.586 4.453 -4.605 120 H GLY 14 H GLY 14 2.621 7.530 -5.629 121 HA2 GLY 14 HA2 GLY 14 2.025 7.562 -7.839 122 HA3 GLY 14 HA3 GLY 14 3.655 8.082 -8.236 123 H MET 15 H MET 15 2.393 5.140 -6.684 124 HA MET 15 HA MET 15 3.827 3.387 -8.477 125 HB2 MET 15 HB2 MET 15 2.862 1.603 -7.027 126 HB3 MET 15 HB3 MET 15 3.715 2.827 -6.106 127 HG2 MET 15 HG2 MET 15 1.473 3.868 -5.582 128 HG3 MET 15 HG3 MET 15 0.726 2.470 -6.336 129 HE1 MET 15 HE1 MET 15 3.503 1.899 -2.646 130 HE2 MET 15 HE2 MET 15 3.390 3.448 -3.483 131 HE3 MET 15 HE3 MET 15 4.113 2.057 -4.293 132 H SER 16 H SER 16 2.325 1.393 -9.184 133 HA SER 16 HA SER 16 0.527 2.240 -11.175 134 HB2 SER 16 HB2 SER 16 0.628 -0.507 -9.850 135 HB3 SER 16 HB3 SER 16 0.023 -0.132 -11.466 136 HG SER 16 HG SER 16 2.144 0.487 -12.040 137 H GLU 17 H GLU 17 -1.801 2.048 -11.309 138 HA GLU 17 HA GLU 17 -3.295 2.749 -8.987 139 HB2 GLU 17 HB2 GLU 17 -4.282 1.669 -11.674 140 HB3 GLU 17 HB3 GLU 17 -5.314 2.372 -10.429 141 HG2 GLU 17 HG2 GLU 17 -3.981 4.509 -10.667 142 HG3 GLU 17 HG3 GLU 17 -3.189 3.777 -12.061 143 H GLU 18 H GLU 18 -2.668 -0.340 -10.599 144 HA GLU 18 HA GLU 18 -4.384 -1.869 -8.900 145 HB2 GLU 18 HB2 GLU 18 -3.590 -2.702 -11.116 146 HB3 GLU 18 HB3 GLU 18 -1.931 -2.722 -10.528 147 HG2 GLU 18 HG2 GLU 18 -2.652 -4.442 -8.806 148 HG3 GLU 18 HG3 GLU 18 -4.221 -4.490 -9.609 149 H CYS 19 H CYS 19 -1.107 -0.598 -8.580 150 HA CYS 19 HA CYS 19 -0.090 -2.415 -6.654 151 HB2 CYS 19 HB2 CYS 19 1.356 -0.817 -7.957 152 HB3 CYS 19 HB3 CYS 19 0.648 0.511 -7.076 153 H ARG 20 H ARG 20 -1.494 0.887 -6.302 154 HA ARG 20 HA ARG 20 -1.511 0.793 -3.469 155 HB2 ARG 20 HB2 ARG 20 -3.173 2.802 -3.679 156 HB3 ARG 20 HB3 ARG 20 -1.510 2.988 -4.168 157 HG2 ARG 20 HG2 ARG 20 -2.827 4.189 -5.711 158 HG3 ARG 20 HG3 ARG 20 -2.236 2.763 -6.551 159 HD2 ARG 20 HD2 ARG 20 -4.642 3.388 -7.021 160 HD3 ARG 20 HD3 ARG 20 -4.370 1.732 -6.502 161 HE ARG 20 HE ARG 20 -5.384 2.179 -4.458 162 HH11 ARG 20 HH11 ARG 20 -5.658 4.944 -6.633 163 HH12 ARG 20 HH12 ARG 20 -6.945 5.672 -5.725 164 HH21 ARG 20 HH21 ARG 20 -7.062 3.190 -3.273 165 HH22 ARG 20 HH22 ARG 20 -7.741 4.690 -3.839 166 H GLN 21 H GLN 21 -4.036 -0.026 -5.839 167 HA GLN 21 HA GLN 21 -6.166 -0.480 -4.024 168 HB2 GLN 21 HB2 GLN 21 -5.588 -1.467 -6.829 169 HB3 GLN 21 HB3 GLN 21 -7.000 -2.052 -5.956 170 HG2 GLN 21 HG2 GLN 21 -7.894 0.208 -5.786 171 HG3 GLN 21 HG3 GLN 21 -6.434 0.873 -6.519 172 HE21 GLN 21 HE21 GLN 21 -6.207 0.786 -8.745 173 HE22 GLN 21 HE22 GLN 21 -7.444 0.276 -9.825 174 H ARG 22 H ARG 22 -3.451 -2.486 -4.959 175 HA ARG 22 HA ARG 22 -4.339 -4.932 -3.738 176 HB2 ARG 22 HB2 ARG 22 -1.687 -3.916 -4.817 177 HB3 ARG 22 HB3 ARG 22 -1.749 -5.426 -3.922 178 HG2 ARG 22 HG2 ARG 22 -3.358 -6.340 -5.565 179 HG3 ARG 22 HG3 ARG 22 -3.274 -4.831 -6.477 180 HD2 ARG 22 HD2 ARG 22 -0.969 -5.207 -7.048 181 HD3 ARG 22 HD3 ARG 22 -0.841 -6.551 -5.907 182 HE ARG 22 HE ARG 22 -2.848 -7.163 -7.769 183 HH11 ARG 22 HH11 ARG 22 0.653 -6.778 -7.735 184 HH12 ARG 22 HH12 ARG 22 0.900 -7.887 -9.047 185 HH21 ARG 22 HH21 ARG 22 -2.499 -8.625 -9.458 186 HH22 ARG 22 HH22 ARG 22 -0.887 -8.937 -10.024 187 H LEU 23 H LEU 23 -2.316 -2.197 -2.722 188 HA LEU 23 HA LEU 23 -1.223 -3.510 -0.411 189 HB2 LEU 23 HB2 LEU 23 -1.109 -0.650 -1.398 190 HB3 LEU 23 HB3 LEU 23 -0.181 -1.253 -0.045 191 HG LEU 23 HG LEU 23 0.040 -2.321 -2.875 192 HD11 LEU 23 HD11 LEU 23 0.850 -0.036 -2.796 193 HD12 LEU 23 HD12 LEU 23 2.185 -1.165 -3.018 194 HD13 LEU 23 HD13 LEU 23 1.904 -0.432 -1.436 195 HD21 LEU 23 HD21 LEU 23 1.778 -2.888 -0.461 196 HD22 LEU 23 HD22 LEU 23 2.038 -3.490 -2.103 197 HD23 LEU 23 HD23 LEU 23 0.617 -4.001 -1.196 198 H GLU 24 H GLU 24 -3.565 -0.850 -0.881 199 HA GLU 24 HA GLU 24 -4.320 -0.329 1.756 200 HB2 GLU 24 HB2 GLU 24 -6.073 -0.406 -0.735 201 HB3 GLU 24 HB3 GLU 24 -6.550 0.338 0.788 202 HG2 GLU 24 HG2 GLU 24 -4.952 2.086 0.559 203 HG3 GLU 24 HG3 GLU 24 -4.099 1.251 -0.743 204 H LYS 25 H LYS 25 -5.316 -2.870 -0.461 205 HA LYS 25 HA LYS 25 -7.333 -4.065 1.167 206 HB2 LYS 25 HB2 LYS 25 -7.158 -4.257 -1.346 207 HB3 LYS 25 HB3 LYS 25 -5.777 -5.326 -1.127 208 HG2 LYS 25 HG2 LYS 25 -7.244 -6.929 0.091 209 HG3 LYS 25 HG3 LYS 25 -8.618 -5.856 -0.187 210 HD2 LYS 25 HD2 LYS 25 -8.624 -7.686 -1.819 211 HD3 LYS 25 HD3 LYS 25 -8.354 -6.145 -2.635 212 HE2 LYS 25 HE2 LYS 25 -6.915 -7.964 -3.505 213 HE3 LYS 25 HE3 LYS 25 -5.976 -6.625 -2.845 214 HZ1 LYS 25 HZ1 LYS 25 -5.624 -7.923 -0.827 215 HZ2 LYS 25 HZ2 LYS 25 -5.083 -8.781 -2.180 216 HZ3 LYS 25 HZ3 LYS 25 -6.548 -9.195 -1.447 217 H MET 26 H MET 26 -3.888 -4.814 0.585 218 HA MET 26 HA MET 26 -3.589 -7.087 2.239 219 HB2 MET 26 HB2 MET 26 -1.609 -4.896 1.495 220 HB3 MET 26 HB3 MET 26 -1.142 -6.310 2.422 221 HG2 MET 26 HG2 MET 26 -2.429 -6.745 -0.245 222 HG3 MET 26 HG3 MET 26 -0.766 -6.173 -0.187 223 HE1 MET 26 HE1 MET 26 -2.148 -10.316 1.378 224 HE2 MET 26 HE2 MET 26 -3.180 -9.222 0.457 225 HE3 MET 26 HE3 MET 26 -2.745 -8.833 2.122 226 H CYS 27 H CYS 27 -3.685 -3.675 2.946 227 HA CYS 27 HA CYS 27 -2.775 -3.777 5.646 228 HB2 CYS 27 HB2 CYS 27 -2.738 -1.753 4.176 229 HB3 CYS 27 HB3 CYS 27 -4.492 -1.662 4.305 230 H LYS 28 H LYS 28 -5.957 -4.120 4.124 231 HA LYS 28 HA LYS 28 -7.462 -3.887 6.595 232 HB2 LYS 28 HB2 LYS 28 -8.497 -5.042 3.966 233 HB3 LYS 28 HB3 LYS 28 -9.447 -4.383 5.292 234 HG2 LYS 28 HG2 LYS 28 -7.711 -2.866 3.340 235 HG3 LYS 28 HG3 LYS 28 -9.467 -2.830 3.454 236 HD2 LYS 28 HD2 LYS 28 -9.336 -1.651 5.598 237 HD3 LYS 28 HD3 LYS 28 -7.576 -1.800 5.609 238 HE2 LYS 28 HE2 LYS 28 -7.466 -0.391 3.558 239 HE3 LYS 28 HE3 LYS 28 -9.222 -0.201 3.609 240 HZ1 LYS 28 HZ1 LYS 28 -9.027 0.917 5.720 241 HZ2 LYS 28 HZ2 LYS 28 -8.023 1.683 4.596 242 HZ3 LYS 28 HZ3 LYS 28 -7.358 0.657 5.763 243 H GLU 29 H GLU 29 -6.538 -6.500 4.361 244 HA GLU 29 HA GLU 29 -7.847 -8.665 5.644 245 HB2 GLU 29 HB2 GLU 29 -5.473 -8.668 3.724 246 HB3 GLU 29 HB3 GLU 29 -6.429 -10.088 4.141 247 HG2 GLU 29 HG2 GLU 29 -8.364 -9.222 3.038 248 HG3 GLU 29 HG3 GLU 29 -7.628 -7.633 2.837 249 H GLY 30 H GLY 30 -4.356 -7.891 5.435 250 HA2 GLY 30 HA2 GLY 30 -3.722 -9.720 7.648 251 HA3 GLY 30 HA3 GLY 30 -2.579 -8.935 6.564 252 H THR 31 H THR 31 -1.711 -7.006 7.096 253 HA THR 31 HA THR 31 -2.645 -5.446 9.403 254 HB THR 31 HB THR 31 -0.349 -5.319 10.371 255 HG1 THR 31 HG1 THR 31 0.478 -7.432 8.680 256 HG21 THR 31 HG21 THR 31 -1.785 -7.099 11.323 257 HG22 THR 31 HG22 THR 31 -0.091 -7.584 11.320 258 HG23 THR 31 HG23 THR 31 -1.195 -8.238 10.109 259 H SER 32 H SER 32 -1.473 -3.342 9.452 260 HA SER 32 HA SER 32 -0.983 -2.092 6.954 261 HB2 SER 32 HB2 SER 32 -0.071 -0.197 8.367 262 HB3 SER 32 HB3 SER 32 -1.667 -0.741 8.869 263 HG SER 32 HG SER 32 0.803 -1.467 10.081 264 H GLU 33 H GLU 33 1.004 -3.996 9.079 265 HA GLU 33 HA GLU 33 3.585 -3.254 8.156 266 HB2 GLU 33 HB2 GLU 33 2.884 -6.036 9.178 267 HB3 GLU 33 HB3 GLU 33 4.424 -5.193 9.291 268 HG2 GLU 33 HG2 GLU 33 1.899 -4.675 10.871 269 HG3 GLU 33 HG3 GLU 33 3.453 -5.244 11.472 270 H ASP 34 H ASP 34 1.229 -5.713 7.091 271 HA ASP 34 HA ASP 34 2.732 -6.992 5.075 272 HB2 ASP 34 HB2 ASP 34 -0.273 -6.564 5.333 273 HB3 ASP 34 HB3 ASP 34 0.421 -7.467 3.991 274 H ALA 35 H ALA 35 0.637 -4.170 4.963 275 HA ALA 35 HA ALA 35 0.566 -3.818 2.162 276 HB1 ALA 35 HB1 ALA 35 -1.115 -2.889 3.653 277 HB2 ALA 35 HB2 ALA 35 -0.377 -1.612 2.685 278 HB3 ALA 35 HB3 ALA 35 0.082 -1.818 4.379 279 H GLU 36 H GLU 36 2.540 -2.127 4.678 280 HA GLU 36 HA GLU 36 4.023 -0.591 2.767 281 HB2 GLU 36 HB2 GLU 36 5.484 0.070 4.629 282 HB3 GLU 36 HB3 GLU 36 3.791 0.197 5.086 283 HG2 GLU 36 HG2 GLU 36 3.923 -1.779 6.454 284 HG3 GLU 36 HG3 GLU 36 5.519 -2.176 5.826 285 H ARG 37 H ARG 37 4.517 -3.721 4.284 286 HA ARG 37 HA ARG 37 7.173 -4.304 3.591 287 HB2 ARG 37 HB2 ARG 37 6.041 -5.811 5.084 288 HB3 ARG 37 HB3 ARG 37 4.733 -6.085 3.946 289 HG2 ARG 37 HG2 ARG 37 6.170 -8.062 4.137 290 HG3 ARG 37 HG3 ARG 37 6.224 -7.398 2.504 291 HD2 ARG 37 HD2 ARG 37 8.385 -6.268 3.103 292 HD3 ARG 37 HD3 ARG 37 8.334 -7.095 4.664 293 HE ARG 37 HE ARG 37 8.132 -9.147 2.982 294 HH11 ARG 37 HH11 ARG 37 10.390 -6.448 2.969 295 HH12 ARG 37 HH12 ARG 37 11.660 -7.366 2.222 296 HH21 ARG 37 HH21 ARG 37 9.799 -10.339 2.051 297 HH22 ARG 37 HH22 ARG 37 11.320 -9.577 1.701 298 H MET 38 H MET 38 4.158 -4.870 1.776 299 HA MET 38 HA MET 38 5.556 -5.959 -0.504 300 HB2 MET 38 HB2 MET 38 2.642 -5.165 -0.137 301 HB3 MET 38 HB3 MET 38 3.284 -5.998 -1.546 302 HG2 MET 38 HG2 MET 38 3.505 -7.202 1.212 303 HG3 MET 38 HG3 MET 38 2.049 -7.373 0.244 304 HE1 MET 38 HE1 MET 38 5.628 -8.703 0.944 305 HE2 MET 38 HE2 MET 38 6.054 -7.781 -0.499 306 HE3 MET 38 HE3 MET 38 6.060 -9.543 -0.547 307 H ALA 39 H ALA 39 4.394 -2.816 0.542 308 HA ALA 39 HA ALA 39 4.080 -1.477 -1.903 309 HB1 ALA 39 HB1 ALA 39 4.234 0.601 -0.614 310 HB2 ALA 39 HB2 ALA 39 4.903 -0.287 0.761 311 HB3 ALA 39 HB3 ALA 39 3.248 -0.594 0.233 312 H ARG 40 H ARG 40 6.938 -1.828 0.127 313 HA ARG 40 HA ARG 40 8.660 -0.103 -1.376 314 HB2 ARG 40 HB2 ARG 40 10.474 -1.109 0.056 315 HB3 ARG 40 HB3 ARG 40 9.119 -0.438 0.953 316 HG2 ARG 40 HG2 ARG 40 8.197 -2.797 1.139 317 HG3 ARG 40 HG3 ARG 40 9.726 -3.363 0.463 318 HD2 ARG 40 HD2 ARG 40 9.692 -3.505 2.932 319 HD3 ARG 40 HD3 ARG 40 10.947 -2.403 2.356 320 HE ARG 40 HE ARG 40 9.312 -0.568 2.858 321 HH11 ARG 40 HH11 ARG 40 9.135 -3.563 4.731 322 HH12 ARG 40 HH12 ARG 40 8.408 -2.776 6.096 323 HH21 ARG 40 HH21 ARG 40 8.358 0.400 4.619 324 HH22 ARG 40 HH22 ARG 40 7.963 -0.527 6.034 325 H ASN 41 H ASN 41 7.551 -3.265 -2.033 326 HA ASN 41 HA ASN 41 9.513 -3.529 -4.228 327 HB2 ASN 41 HB2 ASN 41 9.503 -6.033 -3.893 328 HB3 ASN 41 HB3 ASN 41 10.279 -5.142 -2.596 329 HD21 ASN 41 HD21 ASN 41 9.497 -5.362 -0.533 330 HD22 ASN 41 HD22 ASN 41 8.150 -6.352 -0.114 331 H CYS 42 H CYS 42 6.630 -2.601 -3.913 332 HA CYS 42 HA CYS 42 5.033 -4.526 -5.406 333 HB2 CYS 42 HB2 CYS 42 3.939 -3.158 -3.699 334 HB3 CYS 42 HB3 CYS 42 4.458 -1.682 -4.497 335 H GLU 43 H GLU 43 6.830 -1.598 -5.982 336 HA GLU 43 HA GLU 43 6.375 -1.807 -8.889 337 HB2 GLU 43 HB2 GLU 43 6.780 0.835 -8.751 338 HB3 GLU 43 HB3 GLU 43 5.181 0.142 -8.552 339 HG2 GLU 43 HG2 GLU 43 5.578 1.895 -6.916 340 HG3 GLU 43 HG3 GLU 43 5.342 0.342 -6.130 341 H SER 44 H SER 44 8.580 -1.388 -6.242 342 HA SER 44 HA SER 44 10.917 -0.848 -7.862 343 HB2 SER 44 HB2 SER 44 10.631 -1.589 -4.912 344 HB3 SER 44 HB3 SER 44 12.146 -1.114 -5.686 345 HG SER 44 HG SER 44 9.791 0.474 -5.475 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -4.967 5.715 14.237 2 H2 ALA 1 H2 ALA 1 -4.398 4.193 13.776 3 H3 ALA 1 H3 ALA 1 -6.057 4.486 13.857 4 HA ALA 1 HA ALA 1 -5.950 6.034 12.063 5 HB1 ALA 1 HB1 ALA 1 -3.854 6.359 10.816 6 HB2 ALA 1 HB2 ALA 1 -2.994 5.352 11.985 7 HB3 ALA 1 HB3 ALA 1 -3.692 6.892 12.490 8 HA PRO 2 HA PRO 2 -6.470 1.779 10.376 9 HB2 PRO 2 HB2 PRO 2 -9.006 2.547 9.192 10 HB3 PRO 2 HB3 PRO 2 -8.744 1.556 10.634 11 HG2 PRO 2 HG2 PRO 2 -9.884 4.078 10.661 12 HG3 PRO 2 HG3 PRO 2 -9.133 3.283 12.058 13 HD2 PRO 2 HD2 PRO 2 -7.971 5.393 10.255 14 HD3 PRO 2 HD3 PRO 2 -7.790 5.182 12.013 15 H CYS 3 H CYS 3 -4.649 2.458 9.019 16 HA CYS 3 HA CYS 3 -3.610 2.364 7.041 17 HB2 CYS 3 HB2 CYS 3 -6.365 1.637 5.990 18 HB3 CYS 3 HB3 CYS 3 -4.860 1.428 5.088 19 H GLU 4 H GLU 4 -5.190 4.935 7.856 20 HA GLU 4 HA GLU 4 -5.846 6.292 5.427 21 HB2 GLU 4 HB2 GLU 4 -5.959 8.330 6.912 22 HB3 GLU 4 HB3 GLU 4 -6.939 6.978 7.468 23 HG2 GLU 4 HG2 GLU 4 -5.185 6.390 9.114 24 HG3 GLU 4 HG3 GLU 4 -4.227 7.774 8.584 25 H ASP 5 H ASP 5 -3.036 6.284 7.597 26 HA ASP 5 HA ASP 5 -1.396 8.141 6.244 27 HB2 ASP 5 HB2 ASP 5 -0.730 5.793 8.086 28 HB3 ASP 5 HB3 ASP 5 0.508 6.872 7.437 29 H LEU 6 H LEU 6 -1.642 4.598 6.092 30 HA LEU 6 HA LEU 6 0.473 4.128 4.295 31 HB2 LEU 6 HB2 LEU 6 -0.432 2.391 5.760 32 HB3 LEU 6 HB3 LEU 6 -1.974 2.451 4.938 33 HG LEU 6 HG LEU 6 0.363 1.749 3.185 34 HD11 LEU 6 HD11 LEU 6 0.472 -0.581 3.893 35 HD12 LEU 6 HD12 LEU 6 -0.626 -0.246 5.235 36 HD13 LEU 6 HD13 LEU 6 0.975 0.501 5.193 37 HD21 LEU 6 HD21 LEU 6 -2.421 0.544 3.463 38 HD22 LEU 6 HD22 LEU 6 -1.239 0.124 2.219 39 HD23 LEU 6 HD23 LEU 6 -1.925 1.747 2.268 40 H LYS 7 H LYS 7 -3.008 4.498 3.782 41 HA LYS 7 HA LYS 7 -3.257 3.912 1.089 42 HB2 LYS 7 HB2 LYS 7 -5.200 4.158 2.470 43 HB3 LYS 7 HB3 LYS 7 -4.798 5.822 2.873 44 HG2 LYS 7 HG2 LYS 7 -5.345 6.556 0.614 45 HG3 LYS 7 HG3 LYS 7 -5.587 4.885 0.095 46 HD2 LYS 7 HD2 LYS 7 -7.726 6.085 0.507 47 HD3 LYS 7 HD3 LYS 7 -7.537 4.658 1.525 48 HE2 LYS 7 HE2 LYS 7 -6.784 6.192 3.392 49 HE3 LYS 7 HE3 LYS 7 -7.182 7.563 2.350 50 HZ1 LYS 7 HZ1 LYS 7 -8.979 7.055 3.860 51 HZ2 LYS 7 HZ2 LYS 7 -9.070 5.471 3.286 52 HZ3 LYS 7 HZ3 LYS 7 -9.468 6.761 2.271 53 H GLU 8 H GLU 8 -2.689 7.139 2.557 54 HA GLU 8 HA GLU 8 -2.534 8.448 0.012 55 HB2 GLU 8 HB2 GLU 8 -1.781 9.417 2.793 56 HB3 GLU 8 HB3 GLU 8 -1.809 10.441 1.353 57 HG2 GLU 8 HG2 GLU 8 -4.170 8.988 2.584 58 HG3 GLU 8 HG3 GLU 8 -3.868 10.727 2.633 59 H ARG 9 H ARG 9 -0.163 6.995 2.168 60 HA ARG 9 HA ARG 9 2.198 7.904 0.899 61 HB2 ARG 9 HB2 ARG 9 1.628 5.319 2.400 62 HB3 ARG 9 HB3 ARG 9 3.233 5.745 1.806 63 HG2 ARG 9 HG2 ARG 9 3.305 7.700 3.250 64 HG3 ARG 9 HG3 ARG 9 1.640 7.423 3.769 65 HD2 ARG 9 HD2 ARG 9 2.366 5.225 4.734 66 HD3 ARG 9 HD3 ARG 9 4.037 5.643 4.324 67 HE ARG 9 HE ARG 9 3.299 7.762 5.780 68 HH11 ARG 9 HH11 ARG 9 2.968 4.329 6.455 69 HH12 ARG 9 HH12 ARG 9 3.052 4.538 8.173 70 HH21 ARG 9 HH21 ARG 9 3.382 8.016 8.036 71 HH22 ARG 9 HH22 ARG 9 3.285 6.622 9.066 72 H LEU 10 H LEU 10 -0.177 5.452 -0.008 73 HA LEU 10 HA LEU 10 1.405 3.949 -1.792 74 HB2 LEU 10 HB2 LEU 10 -1.595 4.405 -1.944 75 HB3 LEU 10 HB3 LEU 10 -0.707 3.121 -2.751 76 HG LEU 10 HG LEU 10 -1.087 3.423 0.248 77 HD11 LEU 10 HD11 LEU 10 -2.245 1.333 -1.600 78 HD12 LEU 10 HD12 LEU 10 -3.119 2.694 -0.892 79 HD13 LEU 10 HD13 LEU 10 -2.460 1.437 0.150 80 HD21 LEU 10 HD21 LEU 10 0.391 1.238 -1.245 81 HD22 LEU 10 HD22 LEU 10 0.026 1.244 0.483 82 HD23 LEU 10 HD23 LEU 10 1.106 2.459 -0.189 83 H LYS 11 H LYS 11 -0.736 6.777 -2.365 84 HA LYS 11 HA LYS 11 0.015 6.991 -5.157 85 HB2 LYS 11 HB2 LYS 11 -1.537 8.894 -3.361 86 HB3 LYS 11 HB3 LYS 11 -1.208 9.211 -5.056 87 HG2 LYS 11 HG2 LYS 11 -3.394 8.378 -5.065 88 HG3 LYS 11 HG3 LYS 11 -2.415 7.002 -5.561 89 HD2 LYS 11 HD2 LYS 11 -4.175 6.321 -3.991 90 HD3 LYS 11 HD3 LYS 11 -2.574 6.057 -3.287 91 HE2 LYS 11 HE2 LYS 11 -4.155 7.018 -1.650 92 HE3 LYS 11 HE3 LYS 11 -2.802 8.103 -1.951 93 HZ1 LYS 11 HZ1 LYS 11 -5.511 8.353 -3.140 94 HZ2 LYS 11 HZ2 LYS 11 -4.229 9.425 -3.380 95 HZ3 LYS 11 HZ3 LYS 11 -4.919 9.263 -1.845 96 H LYS 12 H LYS 12 1.125 8.329 -2.123 97 HA LYS 12 HA LYS 12 2.594 10.553 -3.067 98 HB2 LYS 12 HB2 LYS 12 1.843 10.164 -0.693 99 HB3 LYS 12 HB3 LYS 12 3.057 8.907 -0.536 100 HG2 LYS 12 HG2 LYS 12 3.879 11.717 -1.268 101 HG3 LYS 12 HG3 LYS 12 3.506 11.321 0.409 102 HD2 LYS 12 HD2 LYS 12 5.290 9.642 0.456 103 HD3 LYS 12 HD3 LYS 12 5.599 9.865 -1.266 104 HE2 LYS 12 HE2 LYS 12 6.327 12.183 -0.828 105 HE3 LYS 12 HE3 LYS 12 6.032 11.946 0.897 106 HZ1 LYS 12 HZ1 LYS 12 7.988 10.444 -0.754 107 HZ2 LYS 12 HZ2 LYS 12 7.694 10.196 0.892 108 HZ3 LYS 12 HZ3 LYS 12 8.348 11.659 0.363 109 H LEU 13 H LEU 13 3.409 7.143 -2.657 110 HA LEU 13 HA LEU 13 6.206 7.376 -3.209 111 HB2 LEU 13 HB2 LEU 13 4.320 4.992 -3.192 112 HB3 LEU 13 HB3 LEU 13 6.045 4.840 -3.490 113 HG LEU 13 HG LEU 13 4.817 5.910 -0.913 114 HD11 LEU 13 HD11 LEU 13 6.085 3.205 -1.417 115 HD12 LEU 13 HD12 LEU 13 4.365 3.519 -1.170 116 HD13 LEU 13 HD13 LEU 13 5.506 3.820 0.138 117 HD21 LEU 13 HD21 LEU 13 7.004 6.901 -1.330 118 HD22 LEU 13 HD22 LEU 13 7.716 5.303 -1.582 119 HD23 LEU 13 HD23 LEU 13 7.094 5.760 0.009 120 H GLY 14 H GLY 14 3.368 7.279 -5.173 121 HA2 GLY 14 HA2 GLY 14 3.048 7.524 -7.418 122 HA3 GLY 14 HA3 GLY 14 4.781 7.779 -7.601 123 H MET 15 H MET 15 3.009 5.001 -6.313 124 HA MET 15 HA MET 15 4.584 3.088 -7.781 125 HB2 MET 15 HB2 MET 15 3.299 1.406 -6.545 126 HB3 MET 15 HB3 MET 15 3.838 2.680 -5.461 127 HG2 MET 15 HG2 MET 15 1.590 3.667 -5.485 128 HG3 MET 15 HG3 MET 15 1.049 2.427 -6.611 129 HE1 MET 15 HE1 MET 15 2.608 3.044 -3.076 130 HE2 MET 15 HE2 MET 15 3.527 1.627 -3.595 131 HE3 MET 15 HE3 MET 15 2.350 1.489 -2.290 132 H SER 16 H SER 16 3.061 1.069 -8.562 133 HA SER 16 HA SER 16 1.630 1.841 -10.896 134 HB2 SER 16 HB2 SER 16 1.732 -0.834 -9.443 135 HB3 SER 16 HB3 SER 16 1.131 -0.589 -11.083 136 HG SER 16 HG SER 16 3.122 -0.487 -11.799 137 H GLU 17 H GLU 17 -0.609 1.819 -11.291 138 HA GLU 17 HA GLU 17 -2.264 2.624 -9.147 139 HB2 GLU 17 HB2 GLU 17 -2.764 2.100 -12.066 140 HB3 GLU 17 HB3 GLU 17 -4.147 2.286 -10.991 141 HG2 GLU 17 HG2 GLU 17 -3.598 4.423 -12.022 142 HG3 GLU 17 HG3 GLU 17 -3.342 4.473 -10.266 143 H GLU 18 H GLU 18 -1.638 -0.468 -10.492 144 HA GLU 18 HA GLU 18 -3.949 -1.835 -9.506 145 HB2 GLU 18 HB2 GLU 18 -2.551 -2.675 -11.408 146 HB3 GLU 18 HB3 GLU 18 -1.206 -2.920 -10.294 147 HG2 GLU 18 HG2 GLU 18 -2.626 -4.550 -9.023 148 HG3 GLU 18 HG3 GLU 18 -3.877 -4.367 -10.251 149 H CYS 19 H CYS 19 -0.827 -0.841 -8.205 150 HA CYS 19 HA CYS 19 -0.568 -2.813 -6.172 151 HB2 CYS 19 HB2 CYS 19 0.736 -0.099 -6.562 152 HB3 CYS 19 HB3 CYS 19 1.105 -1.145 -5.206 153 H ARG 20 H ARG 20 -1.703 0.623 -6.132 154 HA ARG 20 HA ARG 20 -2.166 0.670 -3.316 155 HB2 ARG 20 HB2 ARG 20 -3.961 2.465 -4.930 156 HB3 ARG 20 HB3 ARG 20 -3.065 2.799 -3.460 157 HG2 ARG 20 HG2 ARG 20 -1.929 4.128 -4.965 158 HG3 ARG 20 HG3 ARG 20 -0.973 2.660 -5.083 159 HD2 ARG 20 HD2 ARG 20 -1.464 3.605 -7.276 160 HD3 ARG 20 HD3 ARG 20 -2.196 2.007 -7.051 161 HE ARG 20 HE ARG 20 -4.326 3.022 -6.817 162 HH11 ARG 20 HH11 ARG 20 -1.888 5.321 -7.896 163 HH12 ARG 20 HH12 ARG 20 -3.060 6.430 -8.523 164 HH21 ARG 20 HH21 ARG 20 -5.822 4.493 -7.633 165 HH22 ARG 20 HH22 ARG 20 -5.277 5.964 -8.371 166 H GLN 21 H GLN 21 -4.220 -0.243 -6.034 167 HA GLN 21 HA GLN 21 -6.682 -0.543 -4.711 168 HB2 GLN 21 HB2 GLN 21 -5.528 -1.893 -7.188 169 HB3 GLN 21 HB3 GLN 21 -7.180 -2.194 -6.645 170 HG2 GLN 21 HG2 GLN 21 -7.727 0.178 -6.908 171 HG3 GLN 21 HG3 GLN 21 -6.072 0.537 -7.381 172 HE21 GLN 21 HE21 GLN 21 -5.412 0.049 -9.487 173 HE22 GLN 21 HE22 GLN 21 -6.515 -0.378 -10.733 174 H ARG 22 H ARG 22 -3.921 -2.734 -5.035 175 HA ARG 22 HA ARG 22 -5.181 -4.936 -3.624 176 HB2 ARG 22 HB2 ARG 22 -2.429 -4.436 -4.757 177 HB3 ARG 22 HB3 ARG 22 -2.571 -5.647 -3.497 178 HG2 ARG 22 HG2 ARG 22 -2.692 -6.810 -5.564 179 HG3 ARG 22 HG3 ARG 22 -4.316 -6.800 -4.885 180 HD2 ARG 22 HD2 ARG 22 -4.902 -4.913 -6.418 181 HD3 ARG 22 HD3 ARG 22 -3.290 -5.030 -7.128 182 HE ARG 22 HE ARG 22 -5.554 -6.691 -7.686 183 HH11 ARG 22 HH11 ARG 22 -2.027 -6.774 -7.607 184 HH12 ARG 22 HH12 ARG 22 -1.927 -8.071 -8.752 185 HH21 ARG 22 HH21 ARG 22 -5.381 -8.341 -9.206 186 HH22 ARG 22 HH22 ARG 22 -3.822 -8.961 -9.661 187 H LEU 23 H LEU 23 -2.947 -2.285 -2.749 188 HA LEU 23 HA LEU 23 -2.055 -3.547 -0.341 189 HB2 LEU 23 HB2 LEU 23 -1.595 -0.758 -1.419 190 HB3 LEU 23 HB3 LEU 23 -0.777 -1.426 -0.022 191 HG LEU 23 HG LEU 23 -0.559 -2.410 -2.878 192 HD11 LEU 23 HD11 LEU 23 1.545 -1.157 -1.135 193 HD12 LEU 23 HD12 LEU 23 0.712 -0.393 -2.493 194 HD13 LEU 23 HD13 LEU 23 1.765 -1.778 -2.776 195 HD21 LEU 23 HD21 LEU 23 -0.541 -4.326 -1.382 196 HD22 LEU 23 HD22 LEU 23 0.753 -3.585 -0.423 197 HD23 LEU 23 HD23 LEU 23 1.043 -4.059 -2.101 198 H GLU 24 H GLU 24 -4.381 -1.052 -1.100 199 HA GLU 24 HA GLU 24 -4.945 -0.154 1.515 200 HB2 GLU 24 HB2 GLU 24 -5.953 0.323 -1.149 201 HB3 GLU 24 HB3 GLU 24 -7.345 -0.058 -0.149 202 HG2 GLU 24 HG2 GLU 24 -5.299 2.061 0.580 203 HG3 GLU 24 HG3 GLU 24 -6.745 2.399 -0.372 204 H LYS 25 H LYS 25 -6.008 -2.912 -0.365 205 HA LYS 25 HA LYS 25 -8.025 -3.845 1.472 206 HB2 LYS 25 HB2 LYS 25 -8.341 -4.456 -0.811 207 HB3 LYS 25 HB3 LYS 25 -6.689 -5.025 -0.980 208 HG2 LYS 25 HG2 LYS 25 -7.156 -7.024 0.296 209 HG3 LYS 25 HG3 LYS 25 -8.747 -6.421 0.766 210 HD2 LYS 25 HD2 LYS 25 -7.940 -7.031 -2.107 211 HD3 LYS 25 HD3 LYS 25 -8.755 -8.185 -1.048 212 HE2 LYS 25 HE2 LYS 25 -9.886 -5.481 -1.879 213 HE3 LYS 25 HE3 LYS 25 -10.332 -7.039 -2.577 214 HZ1 LYS 25 HZ1 LYS 25 -10.678 -6.334 0.285 215 HZ2 LYS 25 HZ2 LYS 25 -11.226 -7.730 -0.484 216 HZ3 LYS 25 HZ3 LYS 25 -11.896 -6.233 -0.880 217 H MET 26 H MET 26 -4.623 -4.639 0.794 218 HA MET 26 HA MET 26 -4.372 -6.895 2.489 219 HB2 MET 26 HB2 MET 26 -2.258 -4.961 1.449 220 HB3 MET 26 HB3 MET 26 -1.888 -6.463 2.293 221 HG2 MET 26 HG2 MET 26 -3.324 -6.223 -0.363 222 HG3 MET 26 HG3 MET 26 -1.650 -6.729 -0.128 223 HE1 MET 26 HE1 MET 26 -1.903 -8.615 2.474 224 HE2 MET 26 HE2 MET 26 -0.975 -9.070 1.045 225 HE3 MET 26 HE3 MET 26 -2.162 -10.186 1.718 226 H CYS 27 H CYS 27 -4.122 -3.458 3.048 227 HA CYS 27 HA CYS 27 -2.765 -3.542 5.554 228 HB2 CYS 27 HB2 CYS 27 -2.681 -1.565 4.090 229 HB3 CYS 27 HB3 CYS 27 -4.417 -1.332 4.282 230 H LYS 28 H LYS 28 -6.207 -3.323 4.586 231 HA LYS 28 HA LYS 28 -7.247 -2.996 7.251 232 HB2 LYS 28 HB2 LYS 28 -8.747 -4.114 4.835 233 HB3 LYS 28 HB3 LYS 28 -9.453 -3.393 6.283 234 HG2 LYS 28 HG2 LYS 28 -8.523 -1.196 5.633 235 HG3 LYS 28 HG3 LYS 28 -7.814 -1.931 4.191 236 HD2 LYS 28 HD2 LYS 28 -10.252 -2.670 3.621 237 HD3 LYS 28 HD3 LYS 28 -10.744 -1.497 4.846 238 HE2 LYS 28 HE2 LYS 28 -9.212 -0.934 2.286 239 HE3 LYS 28 HE3 LYS 28 -10.877 -0.477 2.654 240 HZ1 LYS 28 HZ1 LYS 28 -9.537 1.418 2.953 241 HZ2 LYS 28 HZ2 LYS 28 -8.394 0.586 3.870 242 HZ3 LYS 28 HZ3 LYS 28 -9.931 0.885 4.509 243 H GLU 29 H GLU 29 -7.150 -5.698 4.955 244 HA GLU 29 HA GLU 29 -8.217 -7.617 6.859 245 HB2 GLU 29 HB2 GLU 29 -7.472 -7.909 3.914 246 HB3 GLU 29 HB3 GLU 29 -8.303 -9.131 4.881 247 HG2 GLU 29 HG2 GLU 29 -10.171 -7.527 5.247 248 HG3 GLU 29 HG3 GLU 29 -9.359 -6.368 4.194 249 H GLY 30 H GLY 30 -5.299 -6.465 6.793 250 HA2 GLY 30 HA2 GLY 30 -4.157 -8.890 7.922 251 HA3 GLY 30 HA3 GLY 30 -3.307 -8.230 6.526 252 H THR 31 H THR 31 -1.594 -7.124 7.172 253 HA THR 31 HA THR 31 -1.799 -5.282 9.481 254 HB THR 31 HB THR 31 0.678 -5.744 9.863 255 HG1 THR 31 HG1 THR 31 0.254 -8.120 8.360 256 HG21 THR 31 HG21 THR 31 -1.010 -6.777 11.341 257 HG22 THR 31 HG22 THR 31 0.345 -7.878 11.076 258 HG23 THR 31 HG23 THR 31 -1.176 -8.128 10.217 259 H SER 32 H SER 32 -0.771 -3.329 9.266 260 HA SER 32 HA SER 32 -0.588 -2.263 6.628 261 HB2 SER 32 HB2 SER 32 0.220 -0.937 9.250 262 HB3 SER 32 HB3 SER 32 -0.248 -0.136 7.739 263 HG SER 32 HG SER 32 -2.279 -1.551 8.168 264 H GLU 33 H GLU 33 1.780 -3.330 9.049 265 HA GLU 33 HA GLU 33 4.129 -2.226 7.895 266 HB2 GLU 33 HB2 GLU 33 3.786 -4.672 9.684 267 HB3 GLU 33 HB3 GLU 33 5.347 -3.959 9.267 268 HG2 GLU 33 HG2 GLU 33 4.687 -1.853 10.379 269 HG3 GLU 33 HG3 GLU 33 3.122 -2.556 10.798 270 H ASP 34 H ASP 34 2.372 -5.234 7.303 271 HA ASP 34 HA ASP 34 4.245 -6.401 5.466 272 HB2 ASP 34 HB2 ASP 34 2.701 -7.908 6.533 273 HB3 ASP 34 HB3 ASP 34 1.313 -6.934 6.065 274 H ALA 35 H ALA 35 1.194 -4.586 5.119 275 HA ALA 35 HA ALA 35 0.974 -4.763 2.319 276 HB1 ALA 35 HB1 ALA 35 -0.174 -2.650 4.164 277 HB2 ALA 35 HB2 ALA 35 -0.913 -4.211 3.796 278 HB3 ALA 35 HB3 ALA 35 -0.725 -3.006 2.521 279 H GLU 36 H GLU 36 2.620 -2.363 4.365 280 HA GLU 36 HA GLU 36 3.307 -0.626 2.169 281 HB2 GLU 36 HB2 GLU 36 4.619 0.660 3.729 282 HB3 GLU 36 HB3 GLU 36 3.123 0.213 4.541 283 HG2 GLU 36 HG2 GLU 36 4.274 -1.514 5.809 284 HG3 GLU 36 HG3 GLU 36 5.773 -1.219 4.927 285 H ARG 37 H ARG 37 4.832 -3.403 3.789 286 HA ARG 37 HA ARG 37 7.379 -3.208 2.527 287 HB2 ARG 37 HB2 ARG 37 7.088 -4.622 4.476 288 HB3 ARG 37 HB3 ARG 37 5.909 -5.621 3.645 289 HG2 ARG 37 HG2 ARG 37 7.520 -6.790 2.443 290 HG3 ARG 37 HG3 ARG 37 8.658 -5.443 2.444 291 HD2 ARG 37 HD2 ARG 37 7.998 -7.132 4.875 292 HD3 ARG 37 HD3 ARG 37 9.398 -7.385 3.826 293 HE ARG 37 HE ARG 37 8.934 -5.094 5.626 294 HH11 ARG 37 HH11 ARG 37 11.152 -6.847 3.519 295 HH12 ARG 37 HH12 ARG 37 12.533 -5.944 4.042 296 HH21 ARG 37 HH21 ARG 37 10.749 -3.913 6.240 297 HH22 ARG 37 HH22 ARG 37 12.303 -4.286 5.577 298 H MET 38 H MET 38 4.276 -4.501 1.513 299 HA MET 38 HA MET 38 5.139 -5.698 -0.932 300 HB2 MET 38 HB2 MET 38 2.417 -4.577 -0.202 301 HB3 MET 38 HB3 MET 38 2.754 -5.636 -1.564 302 HG2 MET 38 HG2 MET 38 3.010 -6.382 1.358 303 HG3 MET 38 HG3 MET 38 1.672 -6.805 0.297 304 HE1 MET 38 HE1 MET 38 5.640 -9.004 0.680 305 HE2 MET 38 HE2 MET 38 4.793 -8.036 1.891 306 HE3 MET 38 HE3 MET 38 5.692 -7.245 0.594 307 H ALA 39 H ALA 39 4.066 -2.432 -0.016 308 HA ALA 39 HA ALA 39 4.206 -1.175 -2.551 309 HB1 ALA 39 HB1 ALA 39 4.423 0.931 -1.294 310 HB2 ALA 39 HB2 ALA 39 4.757 0.029 0.187 311 HB3 ALA 39 HB3 ALA 39 3.177 -0.101 -0.587 312 H ARG 40 H ARG 40 6.644 -1.884 -0.095 313 HA ARG 40 HA ARG 40 8.823 -0.508 -1.306 314 HB2 ARG 40 HB2 ARG 40 8.787 -2.720 0.789 315 HB3 ARG 40 HB3 ARG 40 10.227 -1.809 0.331 316 HG2 ARG 40 HG2 ARG 40 9.242 0.260 1.172 317 HG3 ARG 40 HG3 ARG 40 7.727 -0.568 1.533 318 HD2 ARG 40 HD2 ARG 40 8.946 -2.000 3.184 319 HD3 ARG 40 HD3 ARG 40 10.419 -1.082 2.845 320 HE ARG 40 HE ARG 40 8.051 0.376 3.791 321 HH11 ARG 40 HH11 ARG 40 11.264 -0.854 4.529 322 HH12 ARG 40 HH12 ARG 40 11.438 0.123 5.950 323 HH21 ARG 40 HH21 ARG 40 8.282 1.615 5.673 324 HH22 ARG 40 HH22 ARG 40 9.747 1.523 6.599 325 H ASN 41 H ASN 41 7.248 -3.336 -2.325 326 HA ASN 41 HA ASN 41 9.506 -3.798 -4.197 327 HB2 ASN 41 HB2 ASN 41 9.043 -6.177 -4.340 328 HB3 ASN 41 HB3 ASN 41 9.344 -5.757 -2.666 329 HD21 ASN 41 HD21 ASN 41 7.679 -6.011 -1.166 330 HD22 ASN 41 HD22 ASN 41 6.219 -6.855 -1.536 331 H CYS 42 H CYS 42 6.831 -2.226 -4.123 332 HA CYS 42 HA CYS 42 5.781 -3.081 -6.735 333 HB2 CYS 42 HB2 CYS 42 4.029 -2.429 -5.165 334 HB3 CYS 42 HB3 CYS 42 4.839 -0.898 -4.848 335 H GLU 43 H GLU 43 6.834 0.077 -5.289 336 HA GLU 43 HA GLU 43 7.786 0.862 -7.982 337 HB2 GLU 43 HB2 GLU 43 7.472 3.145 -7.430 338 HB3 GLU 43 HB3 GLU 43 6.049 2.317 -6.816 339 HG2 GLU 43 HG2 GLU 43 8.398 3.319 -5.172 340 HG3 GLU 43 HG3 GLU 43 6.821 4.093 -5.297 341 H SER 44 H SER 44 8.855 0.592 -4.597 342 HA SER 44 HA SER 44 11.460 1.715 -4.987 343 HB2 SER 44 HB2 SER 44 10.417 -0.180 -2.841 344 HB3 SER 44 HB3 SER 44 12.007 0.582 -2.802 345 HG SER 44 HG SER 44 9.727 2.169 -3.149 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -3.044 6.231 11.001 2 H2 ALA 1 H2 ALA 1 -3.687 5.517 12.392 3 H3 ALA 1 H3 ALA 1 -3.642 7.202 12.247 4 HA ALA 1 HA ALA 1 -5.862 6.324 11.884 5 HB1 ALA 1 HB1 ALA 1 -6.294 7.559 9.780 6 HB2 ALA 1 HB2 ALA 1 -4.563 7.559 9.427 7 HB3 ALA 1 HB3 ALA 1 -5.179 8.436 10.828 8 HA PRO 2 HA PRO 2 -6.028 2.205 10.325 9 HB2 PRO 2 HB2 PRO 2 -8.652 2.061 9.348 10 HB3 PRO 2 HB3 PRO 2 -8.206 1.959 11.065 11 HG2 PRO 2 HG2 PRO 2 -9.170 4.346 9.510 12 HG3 PRO 2 HG3 PRO 2 -9.646 3.801 11.137 13 HD2 PRO 2 HD2 PRO 2 -7.908 5.816 10.840 14 HD3 PRO 2 HD3 PRO 2 -7.671 4.615 12.133 15 H CYS 3 H CYS 3 -4.552 2.254 8.675 16 HA CYS 3 HA CYS 3 -3.684 1.865 6.656 17 HB2 CYS 3 HB2 CYS 3 -6.568 1.501 5.799 18 HB3 CYS 3 HB3 CYS 3 -5.166 1.037 4.832 19 H GLU 4 H GLU 4 -5.009 4.655 7.410 20 HA GLU 4 HA GLU 4 -5.480 5.862 4.836 21 HB2 GLU 4 HB2 GLU 4 -6.756 6.577 6.831 22 HB3 GLU 4 HB3 GLU 4 -5.268 7.138 7.589 23 HG2 GLU 4 HG2 GLU 4 -4.986 8.772 5.688 24 HG3 GLU 4 HG3 GLU 4 -6.561 8.262 5.081 25 H ASP 5 H ASP 5 -2.960 6.150 7.394 26 HA ASP 5 HA ASP 5 -1.242 7.967 6.111 27 HB2 ASP 5 HB2 ASP 5 -0.399 5.617 7.875 28 HB3 ASP 5 HB3 ASP 5 0.569 7.048 7.530 29 H LEU 6 H LEU 6 -1.485 4.447 5.871 30 HA LEU 6 HA LEU 6 0.660 3.944 4.112 31 HB2 LEU 6 HB2 LEU 6 -0.706 2.317 5.561 32 HB3 LEU 6 HB3 LEU 6 -1.920 2.345 4.299 33 HG LEU 6 HG LEU 6 0.952 1.476 3.745 34 HD11 LEU 6 HD11 LEU 6 0.243 -0.839 4.039 35 HD12 LEU 6 HD12 LEU 6 -1.352 -0.300 4.573 36 HD13 LEU 6 HD13 LEU 6 0.079 0.072 5.539 37 HD21 LEU 6 HD21 LEU 6 -0.372 1.966 1.732 38 HD22 LEU 6 HD22 LEU 6 -1.635 0.859 2.271 39 HD23 LEU 6 HD23 LEU 6 -0.034 0.240 1.849 40 H LYS 7 H LYS 7 -2.788 4.617 3.578 41 HA LYS 7 HA LYS 7 -2.813 4.507 0.750 42 HB2 LYS 7 HB2 LYS 7 -4.853 4.319 2.019 43 HB3 LYS 7 HB3 LYS 7 -4.615 5.898 2.756 44 HG2 LYS 7 HG2 LYS 7 -5.046 7.006 0.616 45 HG3 LYS 7 HG3 LYS 7 -5.159 5.442 -0.196 46 HD2 LYS 7 HD2 LYS 7 -7.383 6.469 0.285 47 HD3 LYS 7 HD3 LYS 7 -7.178 4.878 1.020 48 HE2 LYS 7 HE2 LYS 7 -8.292 6.440 2.563 49 HE3 LYS 7 HE3 LYS 7 -6.730 5.943 3.207 50 HZ1 LYS 7 HZ1 LYS 7 -5.802 8.048 2.442 51 HZ2 LYS 7 HZ2 LYS 7 -7.100 8.303 3.496 52 HZ3 LYS 7 HZ3 LYS 7 -7.310 8.512 1.836 53 H GLU 8 H GLU 8 -1.991 7.125 2.983 54 HA GLU 8 HA GLU 8 -1.856 9.208 1.043 55 HB2 GLU 8 HB2 GLU 8 -0.303 9.078 3.658 56 HB3 GLU 8 HB3 GLU 8 -0.653 10.519 2.706 57 HG2 GLU 8 HG2 GLU 8 -2.559 8.855 4.346 58 HG3 GLU 8 HG3 GLU 8 -2.104 10.534 4.595 59 H ARG 9 H ARG 9 0.440 6.851 2.338 60 HA ARG 9 HA ARG 9 2.730 7.672 0.869 61 HB2 ARG 9 HB2 ARG 9 1.994 4.912 1.939 62 HB3 ARG 9 HB3 ARG 9 3.584 5.353 1.315 63 HG2 ARG 9 HG2 ARG 9 3.902 6.945 3.142 64 HG3 ARG 9 HG3 ARG 9 2.268 6.643 3.732 65 HD2 ARG 9 HD2 ARG 9 2.913 4.251 4.130 66 HD3 ARG 9 HD3 ARG 9 4.568 4.660 3.664 67 HE ARG 9 HE ARG 9 3.788 6.413 5.706 68 HH11 ARG 9 HH11 ARG 9 4.425 2.981 5.330 69 HH12 ARG 9 HH12 ARG 9 4.916 2.761 6.977 70 HH21 ARG 9 HH21 ARG 9 4.459 6.138 7.854 71 HH22 ARG 9 HH22 ARG 9 4.936 4.565 8.419 72 H LEU 10 H LEU 10 -0.041 5.592 0.085 73 HA LEU 10 HA LEU 10 0.986 4.421 -2.280 74 HB2 LEU 10 HB2 LEU 10 -1.890 4.958 -1.445 75 HB3 LEU 10 HB3 LEU 10 -1.437 3.980 -2.830 76 HG LEU 10 HG LEU 10 -0.812 3.341 0.077 77 HD11 LEU 10 HD11 LEU 10 -2.722 1.968 -1.825 78 HD12 LEU 10 HD12 LEU 10 -3.168 2.992 -0.460 79 HD13 LEU 10 HD13 LEU 10 -2.345 1.461 -0.176 80 HD21 LEU 10 HD21 LEU 10 1.009 2.566 -1.341 81 HD22 LEU 10 HD22 LEU 10 -0.133 1.751 -2.413 82 HD23 LEU 10 HD23 LEU 10 0.073 1.196 -0.748 83 H LYS 11 H LYS 11 -0.764 7.445 -1.674 84 HA LYS 11 HA LYS 11 -0.869 8.252 -4.460 85 HB2 LYS 11 HB2 LYS 11 -1.336 9.861 -1.917 86 HB3 LYS 11 HB3 LYS 11 -1.731 10.397 -3.549 87 HG2 LYS 11 HG2 LYS 11 -3.405 8.613 -3.767 88 HG3 LYS 11 HG3 LYS 11 -2.975 7.980 -2.175 89 HD2 LYS 11 HD2 LYS 11 -4.177 10.731 -2.721 90 HD3 LYS 11 HD3 LYS 11 -5.062 9.332 -2.107 91 HE2 LYS 11 HE2 LYS 11 -3.645 9.331 -0.077 92 HE3 LYS 11 HE3 LYS 11 -2.753 10.721 -0.695 93 HZ1 LYS 11 HZ1 LYS 11 -4.421 11.382 0.912 94 HZ2 LYS 11 HZ2 LYS 11 -5.642 10.683 -0.019 95 HZ3 LYS 11 HZ3 LYS 11 -4.796 12.015 -0.613 96 H LYS 12 H LYS 12 1.171 8.922 -1.668 97 HA LYS 12 HA LYS 12 2.718 11.086 -2.613 98 HB2 LYS 12 HB2 LYS 12 2.641 10.575 -0.244 99 HB3 LYS 12 HB3 LYS 12 3.199 8.936 -0.513 100 HG2 LYS 12 HG2 LYS 12 4.954 10.248 0.515 101 HG3 LYS 12 HG3 LYS 12 5.436 9.781 -1.118 102 HD2 LYS 12 HD2 LYS 12 4.815 12.057 -1.929 103 HD3 LYS 12 HD3 LYS 12 4.372 12.512 -0.280 104 HE2 LYS 12 HE2 LYS 12 6.700 12.158 0.446 105 HE3 LYS 12 HE3 LYS 12 7.141 11.664 -1.190 106 HZ1 LYS 12 HZ1 LYS 12 6.182 14.339 -0.346 107 HZ2 LYS 12 HZ2 LYS 12 6.460 13.885 -1.948 108 HZ3 LYS 12 HZ3 LYS 12 7.745 13.935 -0.854 109 H LEU 13 H LEU 13 3.169 7.624 -2.757 110 HA LEU 13 HA LEU 13 5.762 7.756 -4.048 111 HB2 LEU 13 HB2 LEU 13 3.979 5.436 -3.215 112 HB3 LEU 13 HB3 LEU 13 5.586 5.251 -3.895 113 HG LEU 13 HG LEU 13 4.976 6.647 -1.254 114 HD11 LEU 13 HD11 LEU 13 4.526 4.269 -1.055 115 HD12 LEU 13 HD12 LEU 13 5.981 4.692 -0.156 116 HD13 LEU 13 HD13 LEU 13 6.115 3.879 -1.717 117 HD21 LEU 13 HD21 LEU 13 6.980 7.565 -2.281 118 HD22 LEU 13 HD22 LEU 13 7.645 5.945 -2.516 119 HD23 LEU 13 HD23 LEU 13 7.417 6.582 -0.885 120 H GLY 14 H GLY 14 2.393 7.358 -4.895 121 HA2 GLY 14 HA2 GLY 14 1.286 7.332 -6.889 122 HA3 GLY 14 HA3 GLY 14 2.687 8.175 -7.523 123 H MET 15 H MET 15 2.504 4.877 -6.277 124 HA MET 15 HA MET 15 4.091 3.788 -8.396 125 HB2 MET 15 HB2 MET 15 3.879 1.674 -7.175 126 HB3 MET 15 HB3 MET 15 4.169 2.976 -6.032 127 HG2 MET 15 HG2 MET 15 1.720 3.030 -5.539 128 HG3 MET 15 HG3 MET 15 1.518 1.640 -6.604 129 HE1 MET 15 HE1 MET 15 4.278 2.546 -3.858 130 HE2 MET 15 HE2 MET 15 3.634 1.589 -2.524 131 HE3 MET 15 HE3 MET 15 2.708 2.950 -3.151 132 H SER 16 H SER 16 3.039 1.301 -8.925 133 HA SER 16 HA SER 16 1.312 1.698 -11.117 134 HB2 SER 16 HB2 SER 16 1.911 -0.870 -9.571 135 HB3 SER 16 HB3 SER 16 1.285 -0.776 -11.221 136 HG SER 16 HG SER 16 3.719 -0.995 -10.680 137 H GLU 17 H GLU 17 -0.950 1.621 -11.282 138 HA GLU 17 HA GLU 17 -2.452 2.281 -9.033 139 HB2 GLU 17 HB2 GLU 17 -3.249 1.480 -11.817 140 HB3 GLU 17 HB3 GLU 17 -4.495 1.702 -10.589 141 HG2 GLU 17 HG2 GLU 17 -3.786 3.983 -10.193 142 HG3 GLU 17 HG3 GLU 17 -2.442 3.803 -11.325 143 H GLU 18 H GLU 18 -1.975 -0.880 -10.479 144 HA GLU 18 HA GLU 18 -4.078 -2.237 -9.147 145 HB2 GLU 18 HB2 GLU 18 -3.065 -3.254 -11.116 146 HB3 GLU 18 HB3 GLU 18 -1.471 -3.251 -10.370 147 HG2 GLU 18 HG2 GLU 18 -2.262 -4.922 -8.705 148 HG3 GLU 18 HG3 GLU 18 -3.843 -4.939 -9.485 149 H CYS 19 H CYS 19 -0.869 -1.257 -8.233 150 HA CYS 19 HA CYS 19 -0.418 -3.094 -6.121 151 HB2 CYS 19 HB2 CYS 19 0.838 -0.455 -6.914 152 HB3 CYS 19 HB3 CYS 19 1.351 -1.308 -5.483 153 H ARG 20 H ARG 20 -1.564 0.322 -6.244 154 HA ARG 20 HA ARG 20 -1.784 0.572 -3.395 155 HB2 ARG 20 HB2 ARG 20 -3.452 2.265 -5.292 156 HB3 ARG 20 HB3 ARG 20 -2.846 2.678 -3.694 157 HG2 ARG 20 HG2 ARG 20 -1.365 3.885 -4.964 158 HG3 ARG 20 HG3 ARG 20 -0.474 2.377 -4.915 159 HD2 ARG 20 HD2 ARG 20 -0.451 3.123 -7.154 160 HD3 ARG 20 HD3 ARG 20 -1.624 1.791 -7.063 161 HE ARG 20 HE ARG 20 -3.394 3.344 -7.190 162 HH11 ARG 20 HH11 ARG 20 -0.250 4.790 -7.857 163 HH12 ARG 20 HH12 ARG 20 -0.927 6.177 -8.645 164 HH21 ARG 20 HH21 ARG 20 -4.260 5.215 -8.166 165 HH22 ARG 20 HH22 ARG 20 -3.193 6.418 -8.818 166 H GLN 21 H GLN 21 -4.021 -0.349 -5.960 167 HA GLN 21 HA GLN 21 -6.411 -0.427 -4.468 168 HB2 GLN 21 HB2 GLN 21 -5.599 -1.992 -6.955 169 HB3 GLN 21 HB3 GLN 21 -7.249 -1.905 -6.333 170 HG2 GLN 21 HG2 GLN 21 -7.408 0.438 -6.811 171 HG3 GLN 21 HG3 GLN 21 -5.679 0.567 -7.123 172 HE21 GLN 21 HE21 GLN 21 -7.702 1.460 -8.877 173 HE22 GLN 21 HE22 GLN 21 -7.599 0.530 -10.329 174 H ARG 22 H ARG 22 -3.782 -2.707 -4.885 175 HA ARG 22 HA ARG 22 -5.026 -4.889 -3.465 176 HB2 ARG 22 HB2 ARG 22 -2.211 -4.355 -4.462 177 HB3 ARG 22 HB3 ARG 22 -2.568 -5.758 -3.460 178 HG2 ARG 22 HG2 ARG 22 -4.120 -6.621 -5.130 179 HG3 ARG 22 HG3 ARG 22 -3.922 -5.169 -6.118 180 HD2 ARG 22 HD2 ARG 22 -1.610 -5.727 -6.579 181 HD3 ARG 22 HD3 ARG 22 -1.650 -7.063 -5.424 182 HE ARG 22 HE ARG 22 -3.570 -7.328 -7.557 183 HH11 ARG 22 HH11 ARG 22 -0.217 -7.902 -6.674 184 HH12 ARG 22 HH12 ARG 22 0.004 -9.180 -7.827 185 HH21 ARG 22 HH21 ARG 22 -3.303 -9.028 -9.040 186 HH22 ARG 22 HH22 ARG 22 -1.765 -9.821 -9.185 187 H LEU 23 H LEU 23 -2.707 -2.307 -2.658 188 HA LEU 23 HA LEU 23 -1.842 -3.532 -0.213 189 HB2 LEU 23 HB2 LEU 23 -1.343 -0.766 -1.352 190 HB3 LEU 23 HB3 LEU 23 -0.503 -1.455 0.018 191 HG LEU 23 HG LEU 23 -0.421 -2.646 -2.772 192 HD11 LEU 23 HD11 LEU 23 1.641 -0.872 -1.482 193 HD12 LEU 23 HD12 LEU 23 0.611 -0.469 -2.856 194 HD13 LEU 23 HD13 LEU 23 1.827 -1.733 -3.014 195 HD21 LEU 23 HD21 LEU 23 0.044 -4.322 -1.106 196 HD22 LEU 23 HD22 LEU 23 1.256 -3.285 -0.353 197 HD23 LEU 23 HD23 LEU 23 1.521 -3.915 -1.977 198 H GLU 24 H GLU 24 -4.098 -0.971 -1.064 199 HA GLU 24 HA GLU 24 -4.754 -0.021 1.489 200 HB2 GLU 24 HB2 GLU 24 -5.822 0.216 -1.217 201 HB3 GLU 24 HB3 GLU 24 -7.163 -0.052 -0.120 202 HG2 GLU 24 HG2 GLU 24 -5.091 2.131 0.257 203 HG3 GLU 24 HG3 GLU 24 -6.608 2.360 -0.611 204 H LYS 25 H LYS 25 -5.815 -2.852 -0.340 205 HA LYS 25 HA LYS 25 -7.875 -3.660 1.527 206 HB2 LYS 25 HB2 LYS 25 -8.006 -4.195 -0.912 207 HB3 LYS 25 HB3 LYS 25 -6.601 -5.242 -0.751 208 HG2 LYS 25 HG2 LYS 25 -7.894 -6.688 0.827 209 HG3 LYS 25 HG3 LYS 25 -9.301 -5.651 0.598 210 HD2 LYS 25 HD2 LYS 25 -7.943 -7.223 -1.629 211 HD3 LYS 25 HD3 LYS 25 -9.345 -7.793 -0.727 212 HE2 LYS 25 HE2 LYS 25 -10.196 -6.918 -2.769 213 HE3 LYS 25 HE3 LYS 25 -10.573 -5.709 -1.548 214 HZ1 LYS 25 HZ1 LYS 25 -8.266 -5.561 -3.420 215 HZ2 LYS 25 HZ2 LYS 25 -8.758 -4.364 -2.331 216 HZ3 LYS 25 HZ3 LYS 25 -9.741 -4.768 -3.640 217 H MET 26 H MET 26 -4.562 -4.665 0.767 218 HA MET 26 HA MET 26 -4.370 -6.946 2.394 219 HB2 MET 26 HB2 MET 26 -2.216 -5.058 1.362 220 HB3 MET 26 HB3 MET 26 -1.859 -6.554 2.215 221 HG2 MET 26 HG2 MET 26 -2.954 -7.839 0.429 222 HG3 MET 26 HG3 MET 26 -3.325 -6.338 -0.421 223 HE1 MET 26 HE1 MET 26 0.016 -7.199 1.564 224 HE2 MET 26 HE2 MET 26 0.982 -7.872 0.253 225 HE3 MET 26 HE3 MET 26 -0.448 -8.732 0.821 226 H CYS 27 H CYS 27 -3.879 -3.537 3.030 227 HA CYS 27 HA CYS 27 -2.726 -3.733 5.594 228 HB2 CYS 27 HB2 CYS 27 -2.663 -1.645 4.366 229 HB3 CYS 27 HB3 CYS 27 -4.421 -1.561 4.322 230 H LYS 28 H LYS 28 -6.095 -3.778 4.489 231 HA LYS 28 HA LYS 28 -7.217 -3.442 7.136 232 HB2 LYS 28 HB2 LYS 28 -8.631 -4.175 4.536 233 HB3 LYS 28 HB3 LYS 28 -9.394 -3.591 6.016 234 HG2 LYS 28 HG2 LYS 28 -8.186 -1.432 5.762 235 HG3 LYS 28 HG3 LYS 28 -7.479 -2.030 4.259 236 HD2 LYS 28 HD2 LYS 28 -9.961 -2.368 3.496 237 HD3 LYS 28 HD3 LYS 28 -10.359 -1.296 4.842 238 HE2 LYS 28 HE2 LYS 28 -8.605 -0.659 2.446 239 HE3 LYS 28 HE3 LYS 28 -10.196 0.008 2.804 240 HZ1 LYS 28 HZ1 LYS 28 -7.720 0.458 4.375 241 HZ2 LYS 28 HZ2 LYS 28 -9.241 1.085 4.760 242 HZ3 LYS 28 HZ3 LYS 28 -8.458 1.569 3.340 243 H GLU 29 H GLU 29 -7.449 -6.102 4.705 244 HA GLU 29 HA GLU 29 -8.522 -7.930 6.672 245 HB2 GLU 29 HB2 GLU 29 -8.619 -9.565 4.784 246 HB3 GLU 29 HB3 GLU 29 -9.438 -8.052 4.459 247 HG2 GLU 29 HG2 GLU 29 -8.401 -8.515 2.429 248 HG3 GLU 29 HG3 GLU 29 -7.298 -7.368 3.180 249 H GLY 30 H GLY 30 -5.379 -7.119 5.547 250 HA2 GLY 30 HA2 GLY 30 -4.173 -9.409 7.016 251 HA3 GLY 30 HA3 GLY 30 -3.371 -8.451 5.778 252 H THR 31 H THR 31 -1.946 -6.989 6.539 253 HA THR 31 HA THR 31 -2.458 -5.514 9.036 254 HB THR 31 HB THR 31 -0.049 -5.785 9.745 255 HG1 THR 31 HG1 THR 31 0.022 -7.896 7.834 256 HG21 THR 31 HG21 THR 31 -1.522 -8.439 9.599 257 HG22 THR 31 HG22 THR 31 -1.766 -7.205 10.836 258 HG23 THR 31 HG23 THR 31 -0.214 -8.039 10.715 259 H SER 32 H SER 32 -1.362 -3.491 9.132 260 HA SER 32 HA SER 32 -1.090 -2.094 6.688 261 HB2 SER 32 HB2 SER 32 -0.077 -1.229 9.436 262 HB3 SER 32 HB3 SER 32 -0.457 -0.173 8.069 263 HG SER 32 HG SER 32 -2.623 -1.539 8.431 264 H GLU 33 H GLU 33 1.307 -3.260 9.036 265 HA GLU 33 HA GLU 33 3.620 -2.135 7.936 266 HB2 GLU 33 HB2 GLU 33 4.850 -3.801 9.322 267 HB3 GLU 33 HB3 GLU 33 3.590 -2.952 10.214 268 HG2 GLU 33 HG2 GLU 33 2.107 -4.894 10.031 269 HG3 GLU 33 HG3 GLU 33 3.309 -5.748 9.067 270 H ASP 34 H ASP 34 2.001 -5.194 7.187 271 HA ASP 34 HA ASP 34 4.088 -6.294 5.554 272 HB2 ASP 34 HB2 ASP 34 2.412 -7.705 6.681 273 HB3 ASP 34 HB3 ASP 34 1.125 -6.975 5.739 274 H ALA 35 H ALA 35 1.048 -4.545 4.887 275 HA ALA 35 HA ALA 35 1.134 -4.742 2.069 276 HB1 ALA 35 HB1 ALA 35 -0.248 -2.668 3.791 277 HB2 ALA 35 HB2 ALA 35 -0.911 -4.231 3.310 278 HB3 ALA 35 HB3 ALA 35 -0.592 -2.997 2.090 279 H GLU 36 H GLU 36 2.200 -2.095 4.249 280 HA GLU 36 HA GLU 36 3.172 -0.378 2.216 281 HB2 GLU 36 HB2 GLU 36 4.302 0.870 3.985 282 HB3 GLU 36 HB3 GLU 36 2.672 0.432 4.492 283 HG2 GLU 36 HG2 GLU 36 3.642 -1.475 5.788 284 HG3 GLU 36 HG3 GLU 36 5.253 -0.895 5.362 285 H ARG 37 H ARG 37 4.622 -3.136 3.856 286 HA ARG 37 HA ARG 37 7.300 -2.774 2.943 287 HB2 ARG 37 HB2 ARG 37 6.233 -4.420 4.771 288 HB3 ARG 37 HB3 ARG 37 6.152 -5.536 3.420 289 HG2 ARG 37 HG2 ARG 37 8.667 -4.226 4.517 290 HG3 ARG 37 HG3 ARG 37 8.159 -5.890 4.796 291 HD2 ARG 37 HD2 ARG 37 8.464 -6.403 2.415 292 HD3 ARG 37 HD3 ARG 37 8.889 -4.722 2.081 293 HE ARG 37 HE ARG 37 10.507 -6.647 3.644 294 HH11 ARG 37 HH11 ARG 37 10.327 -3.679 1.750 295 HH12 ARG 37 HH12 ARG 37 12.046 -3.458 1.713 296 HH21 ARG 37 HH21 ARG 37 12.751 -6.362 3.559 297 HH22 ARG 37 HH22 ARG 37 13.428 -4.983 2.747 298 H MET 38 H MET 38 4.486 -4.549 1.688 299 HA MET 38 HA MET 38 5.767 -5.583 -0.643 300 HB2 MET 38 HB2 MET 38 2.810 -5.245 -0.032 301 HB3 MET 38 HB3 MET 38 3.467 -6.186 -1.365 302 HG2 MET 38 HG2 MET 38 3.996 -6.789 1.556 303 HG3 MET 38 HG3 MET 38 2.731 -7.544 0.604 304 HE1 MET 38 HE1 MET 38 6.306 -7.786 1.852 305 HE2 MET 38 HE2 MET 38 6.761 -6.948 0.368 306 HE3 MET 38 HE3 MET 38 7.188 -8.645 0.591 307 H ALA 39 H ALA 39 4.349 -2.522 0.129 308 HA ALA 39 HA ALA 39 3.944 -1.421 -2.441 309 HB1 ALA 39 HB1 ALA 39 4.796 -0.065 0.142 310 HB2 ALA 39 HB2 ALA 39 3.137 -0.369 -0.371 311 HB3 ALA 39 HB3 ALA 39 4.150 0.753 -1.279 312 H ARG 40 H ARG 40 6.750 -1.629 -0.336 313 HA ARG 40 HA ARG 40 8.636 -0.199 -1.885 314 HB2 ARG 40 HB2 ARG 40 9.188 -2.455 0.083 315 HB3 ARG 40 HB3 ARG 40 10.281 -1.143 -0.357 316 HG2 ARG 40 HG2 ARG 40 7.695 -0.215 0.783 317 HG3 ARG 40 HG3 ARG 40 8.637 -1.208 1.890 318 HD2 ARG 40 HD2 ARG 40 9.063 1.195 2.174 319 HD3 ARG 40 HD3 ARG 40 10.510 0.298 1.726 320 HE ARG 40 HE ARG 40 9.088 1.609 -0.458 321 HH11 ARG 40 HH11 ARG 40 11.718 1.845 1.871 322 HH12 ARG 40 HH12 ARG 40 12.565 3.066 0.977 323 HH21 ARG 40 HH21 ARG 40 10.227 3.209 -1.625 324 HH22 ARG 40 HH22 ARG 40 11.716 3.838 -1.006 325 H ASN 41 H ASN 41 7.534 -3.519 -1.872 326 HA ASN 41 HA ASN 41 9.560 -4.561 -3.669 327 HB2 ASN 41 HB2 ASN 41 7.033 -5.729 -2.438 328 HB3 ASN 41 HB3 ASN 41 7.963 -6.612 -3.646 329 HD21 ASN 41 HD21 ASN 41 8.110 -5.195 -0.424 330 HD22 ASN 41 HD22 ASN 41 9.397 -6.189 0.150 331 H CYS 42 H CYS 42 6.324 -3.222 -3.961 332 HA CYS 42 HA CYS 42 5.715 -4.071 -6.607 333 HB2 CYS 42 HB2 CYS 42 3.866 -3.175 -5.374 334 HB3 CYS 42 HB3 CYS 42 4.757 -1.727 -4.918 335 H GLU 43 H GLU 43 7.012 -1.002 -5.368 336 HA GLU 43 HA GLU 43 8.854 -0.433 -7.380 337 HB2 GLU 43 HB2 GLU 43 6.787 -0.292 -8.823 338 HB3 GLU 43 HB3 GLU 43 6.157 0.969 -7.768 339 HG2 GLU 43 HG2 GLU 43 7.994 2.462 -8.408 340 HG3 GLU 43 HG3 GLU 43 8.712 1.184 -9.391 341 H SER 44 H SER 44 6.398 0.793 -5.197 342 HA SER 44 HA SER 44 6.249 2.404 -3.647 343 HB2 SER 44 HB2 SER 44 8.220 1.174 -2.673 344 HB3 SER 44 HB3 SER 44 9.296 2.269 -3.533 345 HG SER 44 HG SER 44 8.065 3.968 -2.337 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -3.631 6.019 13.845 2 H2 ALA 1 H2 ALA 1 -5.282 5.829 14.134 3 H3 ALA 1 H3 ALA 1 -4.628 7.380 13.945 4 HA ALA 1 HA ALA 1 -5.811 6.695 11.970 5 HB1 ALA 1 HB1 ALA 1 -4.005 7.160 10.348 6 HB2 ALA 1 HB2 ALA 1 -2.801 6.857 11.607 7 HB3 ALA 1 HB3 ALA 1 -3.908 8.220 11.756 8 HA PRO 2 HA PRO 2 -5.569 2.202 11.762 9 HB2 PRO 2 HB2 PRO 2 -7.457 1.777 9.775 10 HB3 PRO 2 HB3 PRO 2 -7.857 2.151 11.465 11 HG2 PRO 2 HG2 PRO 2 -7.790 3.991 9.097 12 HG3 PRO 2 HG3 PRO 2 -8.975 3.906 10.419 13 HD2 PRO 2 HD2 PRO 2 -7.017 5.789 10.350 14 HD3 PRO 2 HD3 PRO 2 -7.635 5.131 11.880 15 H CYS 3 H CYS 3 -5.623 3.894 8.579 16 HA CYS 3 HA CYS 3 -3.217 2.460 7.720 17 HB2 CYS 3 HB2 CYS 3 -5.160 0.991 7.098 18 HB3 CYS 3 HB3 CYS 3 -5.798 2.297 6.109 19 H GLU 4 H GLU 4 -4.248 5.276 8.246 20 HA GLU 4 HA GLU 4 -4.797 6.516 5.734 21 HB2 GLU 4 HB2 GLU 4 -4.087 7.871 8.367 22 HB3 GLU 4 HB3 GLU 4 -4.902 8.609 6.987 23 HG2 GLU 4 HG2 GLU 4 -5.980 6.464 8.842 24 HG3 GLU 4 HG3 GLU 4 -6.568 8.115 8.659 25 H ASP 5 H ASP 5 -1.938 6.439 7.836 26 HA ASP 5 HA ASP 5 -0.206 8.107 6.400 27 HB2 ASP 5 HB2 ASP 5 0.494 5.600 7.995 28 HB3 ASP 5 HB3 ASP 5 1.639 6.856 7.519 29 H LEU 6 H LEU 6 -0.883 4.644 6.106 30 HA LEU 6 HA LEU 6 1.079 4.012 4.155 31 HB2 LEU 6 HB2 LEU 6 0.051 2.405 5.735 32 HB3 LEU 6 HB3 LEU 6 -1.484 2.570 4.914 33 HG LEU 6 HG LEU 6 0.881 1.572 3.299 34 HD11 LEU 6 HD11 LEU 6 -0.697 -0.172 5.205 35 HD12 LEU 6 HD12 LEU 6 1.004 0.272 5.366 36 HD13 LEU 6 HD13 LEU 6 0.484 -0.727 4.013 37 HD21 LEU 6 HD21 LEU 6 -0.850 0.222 2.151 38 HD22 LEU 6 HD22 LEU 6 -1.268 1.934 2.132 39 HD23 LEU 6 HD23 LEU 6 -2.079 0.847 3.260 40 H LYS 7 H LYS 7 -2.326 4.885 4.016 41 HA LYS 7 HA LYS 7 -2.881 4.502 1.291 42 HB2 LYS 7 HB2 LYS 7 -4.599 4.810 3.010 43 HB3 LYS 7 HB3 LYS 7 -4.037 6.449 3.323 44 HG2 LYS 7 HG2 LYS 7 -4.727 7.044 0.949 45 HG3 LYS 7 HG3 LYS 7 -5.446 5.431 0.826 46 HD2 LYS 7 HD2 LYS 7 -6.222 7.605 2.820 47 HD3 LYS 7 HD3 LYS 7 -7.165 7.090 1.421 48 HE2 LYS 7 HE2 LYS 7 -7.555 4.910 2.418 49 HE3 LYS 7 HE3 LYS 7 -6.454 5.267 3.747 50 HZ1 LYS 7 HZ1 LYS 7 -7.965 7.018 4.463 51 HZ2 LYS 7 HZ2 LYS 7 -8.705 5.507 4.449 52 HZ3 LYS 7 HZ3 LYS 7 -9.046 6.618 3.223 53 H GLU 8 H GLU 8 -1.662 7.324 3.076 54 HA GLU 8 HA GLU 8 -1.543 9.121 0.904 55 HB2 GLU 8 HB2 GLU 8 0.085 9.041 3.463 56 HB3 GLU 8 HB3 GLU 8 0.051 10.402 2.344 57 HG2 GLU 8 HG2 GLU 8 -2.322 9.322 3.887 58 HG3 GLU 8 HG3 GLU 8 -1.393 10.755 4.316 59 H ARG 9 H ARG 9 0.795 6.748 2.163 60 HA ARG 9 HA ARG 9 3.001 7.370 0.519 61 HB2 ARG 9 HB2 ARG 9 2.123 4.644 1.560 62 HB3 ARG 9 HB3 ARG 9 3.712 4.994 0.880 63 HG2 ARG 9 HG2 ARG 9 4.223 6.490 2.737 64 HG3 ARG 9 HG3 ARG 9 2.593 6.294 3.390 65 HD2 ARG 9 HD2 ARG 9 3.041 3.874 3.734 66 HD3 ARG 9 HD3 ARG 9 4.681 4.102 3.117 67 HE ARG 9 HE ARG 9 4.248 5.880 5.246 68 HH11 ARG 9 HH11 ARG 9 4.745 2.432 4.698 69 HH12 ARG 9 HH12 ARG 9 5.395 2.150 6.281 70 HH21 ARG 9 HH21 ARG 9 5.046 5.479 7.344 71 HH22 ARG 9 HH22 ARG 9 5.568 3.882 7.785 72 H LEU 10 H LEU 10 0.128 5.370 -0.051 73 HA LEU 10 HA LEU 10 0.921 4.117 -2.453 74 HB2 LEU 10 HB2 LEU 10 -1.925 4.795 -1.611 75 HB3 LEU 10 HB3 LEU 10 -1.447 3.575 -2.777 76 HG LEU 10 HG LEU 10 -1.129 3.498 0.237 77 HD11 LEU 10 HD11 LEU 10 -2.463 1.467 0.106 78 HD12 LEU 10 HD12 LEU 10 -2.562 1.615 -1.651 79 HD13 LEU 10 HD13 LEU 10 -3.317 2.829 -0.615 80 HD21 LEU 10 HD21 LEU 10 0.961 2.649 -0.647 81 HD22 LEU 10 HD22 LEU 10 0.103 1.563 -1.743 82 HD23 LEU 10 HD23 LEU 10 0.008 1.322 0.005 83 H LYS 11 H LYS 11 -0.877 7.119 -1.834 84 HA LYS 11 HA LYS 11 -1.432 7.666 -4.619 85 HB2 LYS 11 HB2 LYS 11 -1.820 9.410 -2.162 86 HB3 LYS 11 HB3 LYS 11 -2.546 9.675 -3.747 87 HG2 LYS 11 HG2 LYS 11 -3.857 7.606 -3.517 88 HG3 LYS 11 HG3 LYS 11 -3.077 7.269 -1.968 89 HD2 LYS 11 HD2 LYS 11 -5.283 8.212 -1.559 90 HD3 LYS 11 HD3 LYS 11 -4.056 9.366 -1.041 91 HE2 LYS 11 HE2 LYS 11 -4.396 10.677 -3.088 92 HE3 LYS 11 HE3 LYS 11 -5.553 9.484 -3.682 93 HZ1 LYS 11 HZ1 LYS 11 -5.899 11.093 -1.208 94 HZ2 LYS 11 HZ2 LYS 11 -7.020 10.014 -1.868 95 HZ3 LYS 11 HZ3 LYS 11 -6.627 11.433 -2.697 96 H LYS 12 H LYS 12 0.646 9.115 -2.121 97 HA LYS 12 HA LYS 12 1.405 11.415 -3.618 98 HB2 LYS 12 HB2 LYS 12 1.324 10.882 -0.984 99 HB3 LYS 12 HB3 LYS 12 3.003 10.443 -1.231 100 HG2 LYS 12 HG2 LYS 12 1.783 13.156 -1.826 101 HG3 LYS 12 HG3 LYS 12 2.665 12.740 -0.353 102 HD2 LYS 12 HD2 LYS 12 4.707 12.331 -1.706 103 HD3 LYS 12 HD3 LYS 12 3.820 12.749 -3.175 104 HE2 LYS 12 HE2 LYS 12 3.427 15.026 -2.205 105 HE3 LYS 12 HE3 LYS 12 4.468 14.586 -0.847 106 HZ1 LYS 12 HZ1 LYS 12 6.291 14.275 -2.379 107 HZ2 LYS 12 HZ2 LYS 12 5.642 15.825 -2.573 108 HZ3 LYS 12 HZ3 LYS 12 5.292 14.617 -3.700 109 H LEU 13 H LEU 13 2.953 8.299 -2.956 110 HA LEU 13 HA LEU 13 5.482 8.928 -4.173 111 HB2 LEU 13 HB2 LEU 13 4.514 6.923 -2.474 112 HB3 LEU 13 HB3 LEU 13 4.814 6.044 -3.954 113 HG LEU 13 HG LEU 13 6.938 7.772 -2.638 114 HD11 LEU 13 HD11 LEU 13 6.437 4.825 -2.157 115 HD12 LEU 13 HD12 LEU 13 6.254 6.130 -0.982 116 HD13 LEU 13 HD13 LEU 13 7.854 5.729 -1.609 117 HD21 LEU 13 HD21 LEU 13 7.140 5.506 -4.647 118 HD22 LEU 13 HD22 LEU 13 8.503 6.373 -3.932 119 HD23 LEU 13 HD23 LEU 13 7.371 7.226 -4.979 120 H GLY 14 H GLY 14 2.411 7.887 -5.339 121 HA2 GLY 14 HA2 GLY 14 1.579 7.571 -7.425 122 HA3 GLY 14 HA3 GLY 14 3.040 8.328 -8.045 123 H MET 15 H MET 15 2.401 5.274 -6.318 124 HA MET 15 HA MET 15 4.144 3.720 -8.009 125 HB2 MET 15 HB2 MET 15 3.433 1.805 -6.663 126 HB3 MET 15 HB3 MET 15 3.799 3.172 -5.619 127 HG2 MET 15 HG2 MET 15 1.383 3.632 -5.393 128 HG3 MET 15 HG3 MET 15 1.035 2.258 -6.433 129 HE1 MET 15 HE1 MET 15 2.919 1.803 -2.236 130 HE2 MET 15 HE2 MET 15 2.520 3.375 -2.933 131 HE3 MET 15 HE3 MET 15 3.846 2.419 -3.598 132 H SER 16 H SER 16 3.082 1.442 -8.748 133 HA SER 16 HA SER 16 1.455 1.957 -10.998 134 HB2 SER 16 HB2 SER 16 2.031 -0.691 -9.592 135 HB3 SER 16 HB3 SER 16 1.351 -0.530 -11.213 136 HG SER 16 HG SER 16 3.682 -0.893 -11.064 137 H GLU 17 H GLU 17 -0.783 1.680 -11.355 138 HA GLU 17 HA GLU 17 -2.430 2.294 -9.140 139 HB2 GLU 17 HB2 GLU 17 -2.900 2.956 -11.526 140 HB3 GLU 17 HB3 GLU 17 -3.417 1.299 -11.831 141 HG2 GLU 17 HG2 GLU 17 -5.199 1.510 -10.148 142 HG3 GLU 17 HG3 GLU 17 -4.671 3.145 -9.749 143 H GLU 18 H GLU 18 -1.562 -0.691 -10.620 144 HA GLU 18 HA GLU 18 -3.619 -2.381 -9.640 145 HB2 GLU 18 HB2 GLU 18 -2.221 -3.026 -11.550 146 HB3 GLU 18 HB3 GLU 18 -0.765 -2.924 -10.566 147 HG2 GLU 18 HG2 GLU 18 -1.552 -4.864 -9.224 148 HG3 GLU 18 HG3 GLU 18 -2.988 -4.972 -10.244 149 H CYS 19 H CYS 19 -0.704 -1.033 -8.276 150 HA CYS 19 HA CYS 19 -0.223 -3.029 -6.286 151 HB2 CYS 19 HB2 CYS 19 0.810 -0.185 -6.649 152 HB3 CYS 19 HB3 CYS 19 1.374 -1.266 -5.401 153 H ARG 20 H ARG 20 -1.667 0.289 -6.267 154 HA ARG 20 HA ARG 20 -2.056 0.386 -3.444 155 HB2 ARG 20 HB2 ARG 20 -3.932 1.873 -5.315 156 HB3 ARG 20 HB3 ARG 20 -3.432 2.311 -3.684 157 HG2 ARG 20 HG2 ARG 20 -2.140 3.772 -4.882 158 HG3 ARG 20 HG3 ARG 20 -1.024 2.422 -4.820 159 HD2 ARG 20 HD2 ARG 20 -1.024 3.211 -7.047 160 HD3 ARG 20 HD3 ARG 20 -1.971 1.709 -7.030 161 HE ARG 20 HE ARG 20 -3.976 2.992 -7.187 162 HH11 ARG 20 HH11 ARG 20 -1.035 4.860 -7.811 163 HH12 ARG 20 HH12 ARG 20 -1.868 6.113 -8.669 164 HH21 ARG 20 HH21 ARG 20 -5.055 4.706 -8.277 165 HH22 ARG 20 HH22 ARG 20 -4.133 6.024 -8.931 166 H GLN 21 H GLN 21 -4.050 -0.879 -6.043 167 HA GLN 21 HA GLN 21 -6.462 -1.282 -4.671 168 HB2 GLN 21 HB2 GLN 21 -5.288 -2.864 -7.002 169 HB3 GLN 21 HB3 GLN 21 -6.971 -2.944 -6.472 170 HG2 GLN 21 HG2 GLN 21 -7.284 -0.588 -7.036 171 HG3 GLN 21 HG3 GLN 21 -5.588 -0.455 -7.500 172 HE21 GLN 21 HE21 GLN 21 -6.073 0.181 -9.594 173 HE22 GLN 21 HE22 GLN 21 -6.769 -0.882 -10.766 174 H ARG 22 H ARG 22 -3.547 -3.212 -4.971 175 HA ARG 22 HA ARG 22 -4.493 -5.533 -3.532 176 HB2 ARG 22 HB2 ARG 22 -1.722 -4.586 -4.378 177 HB3 ARG 22 HB3 ARG 22 -1.986 -6.102 -3.540 178 HG2 ARG 22 HG2 ARG 22 -3.382 -6.899 -5.423 179 HG3 ARG 22 HG3 ARG 22 -3.107 -5.368 -6.263 180 HD2 ARG 22 HD2 ARG 22 -0.703 -5.835 -6.387 181 HD3 ARG 22 HD3 ARG 22 -0.913 -7.326 -5.465 182 HE ARG 22 HE ARG 22 -2.531 -7.735 -7.579 183 HH11 ARG 22 HH11 ARG 22 0.856 -6.698 -7.432 184 HH12 ARG 22 HH12 ARG 22 1.257 -7.415 -8.961 185 HH21 ARG 22 HH21 ARG 22 -1.988 -8.663 -9.558 186 HH22 ARG 22 HH22 ARG 22 -0.370 -8.532 -10.174 187 H LEU 23 H LEU 23 -2.628 -2.586 -2.761 188 HA LEU 23 HA LEU 23 -1.530 -3.631 -0.318 189 HB2 LEU 23 HB2 LEU 23 -1.499 -0.805 -1.418 190 HB3 LEU 23 HB3 LEU 23 -0.484 -1.413 -0.122 191 HG LEU 23 HG LEU 23 -0.425 -2.376 -2.986 192 HD11 LEU 23 HD11 LEU 23 0.475 -0.168 -2.867 193 HD12 LEU 23 HD12 LEU 23 1.750 -1.344 -3.178 194 HD13 LEU 23 HD13 LEU 23 1.564 -0.650 -1.565 195 HD21 LEU 23 HD21 LEU 23 1.358 -3.196 -0.696 196 HD22 LEU 23 HD22 LEU 23 1.547 -3.659 -2.391 197 HD23 LEU 23 HD23 LEU 23 0.129 -4.189 -1.495 198 H GLU 24 H GLU 24 -3.914 -1.100 -1.092 199 HA GLU 24 HA GLU 24 -4.598 -0.354 1.502 200 HB2 GLU 24 HB2 GLU 24 -5.573 0.205 -1.149 201 HB3 GLU 24 HB3 GLU 24 -6.973 -0.272 -0.208 202 HG2 GLU 24 HG2 GLU 24 -5.041 1.894 0.666 203 HG3 GLU 24 HG3 GLU 24 -6.467 2.213 -0.319 204 H LYS 25 H LYS 25 -5.638 -3.060 -0.506 205 HA LYS 25 HA LYS 25 -7.809 -3.934 1.117 206 HB2 LYS 25 HB2 LYS 25 -7.663 -4.467 -1.280 207 HB3 LYS 25 HB3 LYS 25 -6.185 -5.382 -1.009 208 HG2 LYS 25 HG2 LYS 25 -7.392 -7.050 0.280 209 HG3 LYS 25 HG3 LYS 25 -8.887 -6.110 0.160 210 HD2 LYS 25 HD2 LYS 25 -8.912 -6.439 -2.292 211 HD3 LYS 25 HD3 LYS 25 -7.383 -7.327 -2.203 212 HE2 LYS 25 HE2 LYS 25 -8.469 -9.037 -0.811 213 HE3 LYS 25 HE3 LYS 25 -9.991 -8.154 -0.900 214 HZ1 LYS 25 HZ1 LYS 25 -8.552 -9.322 -3.217 215 HZ2 LYS 25 HZ2 LYS 25 -10.042 -8.526 -3.263 216 HZ3 LYS 25 HZ3 LYS 25 -9.901 -10.000 -2.454 217 H MET 26 H MET 26 -4.400 -4.898 0.839 218 HA MET 26 HA MET 26 -4.479 -7.000 2.757 219 HB2 MET 26 HB2 MET 26 -2.169 -5.342 1.682 220 HB3 MET 26 HB3 MET 26 -1.961 -6.735 2.733 221 HG2 MET 26 HG2 MET 26 -3.267 -6.854 0.005 222 HG3 MET 26 HG3 MET 26 -1.571 -7.189 0.307 223 HE1 MET 26 HE1 MET 26 -5.113 -10.018 1.152 224 HE2 MET 26 HE2 MET 26 -5.108 -8.632 0.061 225 HE3 MET 26 HE3 MET 26 -5.172 -8.382 1.807 226 H CYS 27 H CYS 27 -4.050 -3.556 2.941 227 HA CYS 27 HA CYS 27 -3.082 -3.396 5.622 228 HB2 CYS 27 HB2 CYS 27 -2.792 -1.663 3.806 229 HB3 CYS 27 HB3 CYS 27 -4.495 -1.257 3.988 230 H LYS 28 H LYS 28 -6.271 -3.476 4.108 231 HA LYS 28 HA LYS 28 -7.825 -2.861 6.447 232 HB2 LYS 28 HB2 LYS 28 -8.669 -4.327 3.899 233 HB3 LYS 28 HB3 LYS 28 -9.762 -3.675 5.115 234 HG2 LYS 28 HG2 LYS 28 -9.136 -1.399 4.539 235 HG3 LYS 28 HG3 LYS 28 -7.898 -1.984 3.433 236 HD2 LYS 28 HD2 LYS 28 -9.805 -3.156 2.150 237 HD3 LYS 28 HD3 LYS 28 -10.908 -2.196 3.141 238 HE2 LYS 28 HE2 LYS 28 -8.827 -1.149 1.193 239 HE3 LYS 28 HE3 LYS 28 -10.583 -1.092 1.008 240 HZ1 LYS 28 HZ1 LYS 28 -9.783 1.033 1.716 241 HZ2 LYS 28 HZ2 LYS 28 -8.957 0.365 3.023 242 HZ3 LYS 28 HZ3 LYS 28 -10.650 0.353 3.002 243 H GLU 29 H GLU 29 -7.349 -5.876 4.613 244 HA GLU 29 HA GLU 29 -8.727 -7.451 6.660 245 HB2 GLU 29 HB2 GLU 29 -7.860 -8.181 3.828 246 HB3 GLU 29 HB3 GLU 29 -8.906 -9.149 4.871 247 HG2 GLU 29 HG2 GLU 29 -10.574 -7.291 4.861 248 HG3 GLU 29 HG3 GLU 29 -9.544 -6.399 3.740 249 H GLY 30 H GLY 30 -5.757 -6.571 6.714 250 HA2 GLY 30 HA2 GLY 30 -4.784 -9.061 7.902 251 HA3 GLY 30 HA3 GLY 30 -3.850 -8.436 6.541 252 H THR 31 H THR 31 -2.167 -7.264 7.153 253 HA THR 31 HA THR 31 -2.384 -5.465 9.500 254 HB THR 31 HB THR 31 0.035 -5.889 10.009 255 HG1 THR 31 HG1 THR 31 -0.232 -7.949 8.056 256 HG21 THR 31 HG21 THR 31 -1.650 -8.419 10.069 257 HG22 THR 31 HG22 THR 31 -1.686 -7.139 11.285 258 HG23 THR 31 HG23 THR 31 -0.226 -8.106 11.061 259 H SER 32 H SER 32 -1.486 -3.449 9.263 260 HA SER 32 HA SER 32 -1.136 -2.351 6.701 261 HB2 SER 32 HB2 SER 32 -0.221 -1.208 9.375 262 HB3 SER 32 HB3 SER 32 -0.503 -0.294 7.892 263 HG SER 32 HG SER 32 -2.647 -0.564 8.113 264 H GLU 33 H GLU 33 1.217 -3.553 9.087 265 HA GLU 33 HA GLU 33 3.554 -2.544 7.883 266 HB2 GLU 33 HB2 GLU 33 4.792 -4.155 9.256 267 HB3 GLU 33 HB3 GLU 33 3.574 -3.301 10.195 268 HG2 GLU 33 HG2 GLU 33 2.094 -5.280 10.072 269 HG3 GLU 33 HG3 GLU 33 3.323 -6.137 9.136 270 H ASP 34 H ASP 34 1.699 -5.490 7.249 271 HA ASP 34 HA ASP 34 3.556 -6.776 5.508 272 HB2 ASP 34 HB2 ASP 34 1.690 -8.022 6.502 273 HB3 ASP 34 HB3 ASP 34 0.513 -6.984 5.702 274 H ALA 35 H ALA 35 0.867 -4.532 4.976 275 HA ALA 35 HA ALA 35 0.866 -4.647 2.137 276 HB1 ALA 35 HB1 ALA 35 -1.112 -4.047 3.451 277 HB2 ALA 35 HB2 ALA 35 -0.720 -2.784 2.281 278 HB3 ALA 35 HB3 ALA 35 -0.318 -2.565 3.987 279 H GLU 36 H GLU 36 2.479 -2.491 4.452 280 HA GLU 36 HA GLU 36 3.413 -0.646 2.443 281 HB2 GLU 36 HB2 GLU 36 4.747 0.384 4.229 282 HB3 GLU 36 HB3 GLU 36 3.080 0.135 4.736 283 HG2 GLU 36 HG2 GLU 36 3.762 -1.842 6.021 284 HG3 GLU 36 HG3 GLU 36 5.434 -1.608 5.508 285 H ARG 37 H ARG 37 4.740 -3.566 3.955 286 HA ARG 37 HA ARG 37 7.316 -3.500 2.769 287 HB2 ARG 37 HB2 ARG 37 5.543 -5.873 3.475 288 HB3 ARG 37 HB3 ARG 37 7.206 -6.030 2.919 289 HG2 ARG 37 HG2 ARG 37 8.002 -4.790 4.879 290 HG3 ARG 37 HG3 ARG 37 6.345 -4.591 5.443 291 HD2 ARG 37 HD2 ARG 37 7.361 -6.412 6.668 292 HD3 ARG 37 HD3 ARG 37 6.141 -7.079 5.581 293 HE ARG 37 HE ARG 37 8.530 -7.184 4.203 294 HH11 ARG 37 HH11 ARG 37 7.300 -8.606 7.197 295 HH12 ARG 37 HH12 ARG 37 8.312 -10.013 7.075 296 HH21 ARG 37 HH21 ARG 37 9.841 -9.011 4.066 297 HH22 ARG 37 HH22 ARG 37 9.759 -10.242 5.285 298 H MET 38 H MET 38 4.204 -4.786 1.604 299 HA MET 38 HA MET 38 5.166 -5.611 -0.956 300 HB2 MET 38 HB2 MET 38 2.346 -5.091 0.050 301 HB3 MET 38 HB3 MET 38 2.720 -5.809 -1.510 302 HG2 MET 38 HG2 MET 38 3.476 -7.023 1.163 303 HG3 MET 38 HG3 MET 38 2.042 -7.452 0.240 304 HE1 MET 38 HE1 MET 38 5.649 -8.387 1.007 305 HE2 MET 38 HE2 MET 38 6.051 -7.192 -0.225 306 HE3 MET 38 HE3 MET 38 6.339 -8.907 -0.527 307 H ALA 39 H ALA 39 4.130 -2.550 0.361 308 HA ALA 39 HA ALA 39 3.629 -1.160 -2.068 309 HB1 ALA 39 HB1 ALA 39 3.830 0.892 -0.733 310 HB2 ALA 39 HB2 ALA 39 4.531 -0.028 0.602 311 HB3 ALA 39 HB3 ALA 39 2.859 -0.315 0.117 312 H ARG 40 H ARG 40 6.566 -1.435 -0.021 313 HA ARG 40 HA ARG 40 8.217 0.030 -1.851 314 HB2 ARG 40 HB2 ARG 40 10.114 -0.664 -0.486 315 HB3 ARG 40 HB3 ARG 40 8.793 -0.092 0.523 316 HG2 ARG 40 HG2 ARG 40 8.198 -2.394 1.094 317 HG3 ARG 40 HG3 ARG 40 9.482 -3.006 0.048 318 HD2 ARG 40 HD2 ARG 40 9.910 -1.255 2.490 319 HD3 ARG 40 HD3 ARG 40 10.072 -3.014 2.461 320 HE ARG 40 HE ARG 40 11.707 -1.581 0.538 321 HH11 ARG 40 HH11 ARG 40 11.639 -2.960 3.787 322 HH12 ARG 40 HH12 ARG 40 13.357 -3.087 3.902 323 HH21 ARG 40 HH21 ARG 40 13.954 -1.806 0.681 324 HH22 ARG 40 HH22 ARG 40 14.674 -2.427 2.126 325 H ASN 41 H ASN 41 7.179 -3.288 -1.645 326 HA ASN 41 HA ASN 41 9.126 -4.333 -3.519 327 HB2 ASN 41 HB2 ASN 41 6.719 -5.470 -2.107 328 HB3 ASN 41 HB3 ASN 41 7.196 -6.246 -3.614 329 HD21 ASN 41 HD21 ASN 41 8.059 -5.728 -0.267 330 HD22 ASN 41 HD22 ASN 41 9.383 -6.823 -0.246 331 H CYS 42 H CYS 42 6.298 -2.452 -3.812 332 HA CYS 42 HA CYS 42 6.061 -2.881 -6.716 333 HB2 CYS 42 HB2 CYS 42 4.004 -2.392 -5.389 334 HB3 CYS 42 HB3 CYS 42 4.681 -0.849 -4.883 335 H GLU 43 H GLU 43 8.579 -1.940 -5.326 336 HA GLU 43 HA GLU 43 10.387 -0.709 -5.721 337 HB2 GLU 43 HB2 GLU 43 8.916 0.086 -8.260 338 HB3 GLU 43 HB3 GLU 43 10.615 0.433 -7.953 339 HG2 GLU 43 HG2 GLU 43 11.097 -1.998 -7.857 340 HG3 GLU 43 HG3 GLU 43 9.392 -2.346 -8.170 341 H SER 44 H SER 44 7.960 0.527 -4.383 342 HA SER 44 HA SER 44 8.100 3.351 -5.022 343 HB2 SER 44 HB2 SER 44 6.496 1.955 -2.852 344 HB3 SER 44 HB3 SER 44 6.225 3.574 -3.506 345 HG SER 44 HG SER 44 5.415 1.166 -4.461 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -3.801 7.454 12.555 2 H2 ALA 1 H2 ALA 1 -5.067 6.700 13.378 3 H3 ALA 1 H3 ALA 1 -5.249 8.284 12.821 4 HA ALA 1 HA ALA 1 -6.426 6.702 11.446 5 HB1 ALA 1 HB1 ALA 1 -5.626 8.808 10.496 6 HB2 ALA 1 HB2 ALA 1 -5.586 7.516 9.299 7 HB3 ALA 1 HB3 ALA 1 -4.089 8.048 10.071 8 HA PRO 2 HA PRO 2 -4.056 2.838 11.662 9 HB2 PRO 2 HB2 PRO 2 -6.062 1.138 10.751 10 HB3 PRO 2 HB3 PRO 2 -5.964 1.759 12.413 11 HG2 PRO 2 HG2 PRO 2 -7.614 2.774 10.114 12 HG3 PRO 2 HG3 PRO 2 -8.076 2.544 11.816 13 HD2 PRO 2 HD2 PRO 2 -7.457 4.986 10.853 14 HD3 PRO 2 HD3 PRO 2 -7.030 4.524 12.512 15 H CYS 3 H CYS 3 -5.667 3.876 8.642 16 HA CYS 3 HA CYS 3 -3.602 2.448 7.083 17 HB2 CYS 3 HB2 CYS 3 -5.712 0.991 7.414 18 HB3 CYS 3 HB3 CYS 3 -6.537 2.135 6.361 19 H GLU 4 H GLU 4 -5.363 5.227 7.627 20 HA GLU 4 HA GLU 4 -5.742 6.260 4.991 21 HB2 GLU 4 HB2 GLU 4 -5.518 7.649 7.689 22 HB3 GLU 4 HB3 GLU 4 -5.838 8.521 6.202 23 HG2 GLU 4 HG2 GLU 4 -7.880 8.097 7.552 24 HG3 GLU 4 HG3 GLU 4 -7.956 7.456 5.914 25 H ASP 5 H ASP 5 -3.192 6.630 7.430 26 HA ASP 5 HA ASP 5 -1.443 8.337 6.062 27 HB2 ASP 5 HB2 ASP 5 -1.153 7.818 8.463 28 HB3 ASP 5 HB3 ASP 5 -0.819 6.131 8.083 29 H LEU 6 H LEU 6 -1.817 4.809 5.998 30 HA LEU 6 HA LEU 6 0.487 4.202 4.469 31 HB2 LEU 6 HB2 LEU 6 -0.672 2.556 5.882 32 HB3 LEU 6 HB3 LEU 6 -2.068 2.606 4.825 33 HG LEU 6 HG LEU 6 0.513 1.834 3.485 34 HD11 LEU 6 HD11 LEU 6 -0.838 -0.098 5.375 35 HD12 LEU 6 HD12 LEU 6 0.751 0.637 5.607 36 HD13 LEU 6 HD13 LEU 6 0.482 -0.465 4.259 37 HD21 LEU 6 HD21 LEU 6 -2.282 0.633 3.361 38 HD22 LEU 6 HD22 LEU 6 -0.923 0.203 2.315 39 HD23 LEU 6 HD23 LEU 6 -1.618 1.821 2.234 40 H LYS 7 H LYS 7 -2.944 4.611 3.503 41 HA LYS 7 HA LYS 7 -2.490 3.880 0.806 42 HB2 LYS 7 HB2 LYS 7 -4.731 3.797 0.693 43 HB3 LYS 7 HB3 LYS 7 -4.775 4.287 2.368 44 HG2 LYS 7 HG2 LYS 7 -4.774 6.381 0.190 45 HG3 LYS 7 HG3 LYS 7 -6.256 5.505 0.576 46 HD2 LYS 7 HD2 LYS 7 -6.091 6.266 2.931 47 HD3 LYS 7 HD3 LYS 7 -4.604 7.133 2.552 48 HE2 LYS 7 HE2 LYS 7 -5.831 8.625 1.053 49 HE3 LYS 7 HE3 LYS 7 -7.317 7.717 1.337 50 HZ1 LYS 7 HZ1 LYS 7 -7.273 8.358 3.638 51 HZ2 LYS 7 HZ2 LYS 7 -7.203 9.742 2.672 52 HZ3 LYS 7 HZ3 LYS 7 -5.806 9.177 3.439 53 H GLU 8 H GLU 8 -2.292 6.957 2.454 54 HA GLU 8 HA GLU 8 -2.048 8.609 0.118 55 HB2 GLU 8 HB2 GLU 8 -1.267 9.103 3.016 56 HB3 GLU 8 HB3 GLU 8 -1.217 10.335 1.749 57 HG2 GLU 8 HG2 GLU 8 -3.663 10.061 1.414 58 HG3 GLU 8 HG3 GLU 8 -3.692 8.865 2.713 59 H ARG 9 H ARG 9 0.217 6.742 2.073 60 HA ARG 9 HA ARG 9 2.609 7.798 0.905 61 HB2 ARG 9 HB2 ARG 9 2.010 5.236 2.427 62 HB3 ARG 9 HB3 ARG 9 3.602 5.543 1.739 63 HG2 ARG 9 HG2 ARG 9 3.773 7.615 3.089 64 HG3 ARG 9 HG3 ARG 9 2.204 7.261 3.818 65 HD2 ARG 9 HD2 ARG 9 4.590 5.390 3.969 66 HD3 ARG 9 HD3 ARG 9 4.234 6.603 5.198 67 HE ARG 9 HE ARG 9 1.943 5.322 5.247 68 HH11 ARG 9 HH11 ARG 9 5.162 3.891 5.029 69 HH12 ARG 9 HH12 ARG 9 4.694 2.428 5.833 70 HH21 ARG 9 HH21 ARG 9 1.358 3.371 6.291 71 HH22 ARG 9 HH22 ARG 9 2.544 2.136 6.547 72 H LEU 10 H LEU 10 0.347 5.194 0.037 73 HA LEU 10 HA LEU 10 1.853 4.018 -2.055 74 HB2 LEU 10 HB2 LEU 10 -1.179 4.216 -2.007 75 HB3 LEU 10 HB3 LEU 10 -0.199 2.989 -2.795 76 HG LEU 10 HG LEU 10 -0.714 3.316 0.183 77 HD11 LEU 10 HD11 LEU 10 -1.383 1.055 -1.710 78 HD12 LEU 10 HD12 LEU 10 -2.510 2.259 -1.079 79 HD13 LEU 10 HD13 LEU 10 -1.741 1.120 0.021 80 HD21 LEU 10 HD21 LEU 10 1.638 2.662 -0.089 81 HD22 LEU 10 HD22 LEU 10 1.157 1.301 -1.104 82 HD23 LEU 10 HD23 LEU 10 0.684 1.351 0.596 83 H LYS 11 H LYS 11 -0.183 6.871 -1.877 84 HA LYS 11 HA LYS 11 -0.303 7.426 -4.700 85 HB2 LYS 11 HB2 LYS 11 -0.925 9.224 -2.326 86 HB3 LYS 11 HB3 LYS 11 -1.369 9.539 -4.004 87 HG2 LYS 11 HG2 LYS 11 -2.882 7.602 -3.991 88 HG3 LYS 11 HG3 LYS 11 -2.388 7.206 -2.342 89 HD2 LYS 11 HD2 LYS 11 -4.526 8.363 -2.254 90 HD3 LYS 11 HD3 LYS 11 -3.285 9.420 -1.577 91 HE2 LYS 11 HE2 LYS 11 -3.187 10.682 -3.688 92 HE3 LYS 11 HE3 LYS 11 -4.365 9.588 -4.415 93 HZ1 LYS 11 HZ1 LYS 11 -5.983 10.332 -2.781 94 HZ2 LYS 11 HZ2 LYS 11 -5.396 11.625 -3.696 95 HZ3 LYS 11 HZ3 LYS 11 -4.851 11.394 -2.115 96 H LYS 12 H LYS 12 1.506 8.791 -1.922 97 HA LYS 12 HA LYS 12 2.747 10.907 -3.360 98 HB2 LYS 12 HB2 LYS 12 2.362 10.981 -0.903 99 HB3 LYS 12 HB3 LYS 12 3.519 9.679 -0.672 100 HG2 LYS 12 HG2 LYS 12 4.432 12.231 -2.005 101 HG3 LYS 12 HG3 LYS 12 4.203 12.226 -0.258 102 HD2 LYS 12 HD2 LYS 12 5.924 10.608 0.071 103 HD3 LYS 12 HD3 LYS 12 5.936 10.144 -1.627 104 HE2 LYS 12 HE2 LYS 12 7.926 11.420 -1.146 105 HE3 LYS 12 HE3 LYS 12 6.888 12.363 -2.209 106 HZ1 LYS 12 HZ1 LYS 12 6.177 13.670 -0.298 107 HZ2 LYS 12 HZ2 LYS 12 7.861 13.717 -0.461 108 HZ3 LYS 12 HZ3 LYS 12 7.155 12.745 0.726 109 H LEU 13 H LEU 13 3.824 7.673 -2.401 110 HA LEU 13 HA LEU 13 6.475 7.948 -3.474 111 HB2 LEU 13 HB2 LEU 13 4.884 5.598 -2.416 112 HB3 LEU 13 HB3 LEU 13 6.442 5.354 -3.176 113 HG LEU 13 HG LEU 13 7.579 6.630 -1.417 114 HD11 LEU 13 HD11 LEU 13 5.846 8.294 -0.902 115 HD12 LEU 13 HD12 LEU 13 6.452 7.513 0.554 116 HD13 LEU 13 HD13 LEU 13 4.880 7.050 -0.108 117 HD21 LEU 13 HD21 LEU 13 7.198 4.240 -1.046 118 HD22 LEU 13 HD22 LEU 13 5.677 4.590 -0.226 119 HD23 LEU 13 HD23 LEU 13 7.209 5.121 0.477 120 H GLY 14 H GLY 14 3.357 6.908 -4.716 121 HA2 GLY 14 HA2 GLY 14 2.630 7.036 -6.880 122 HA3 GLY 14 HA3 GLY 14 4.246 7.499 -7.376 123 H MET 15 H MET 15 2.386 4.650 -6.294 124 HA MET 15 HA MET 15 3.923 2.837 -8.007 125 HB2 MET 15 HB2 MET 15 2.549 1.098 -6.871 126 HB3 MET 15 HB3 MET 15 3.393 2.129 -5.726 127 HG2 MET 15 HG2 MET 15 1.274 3.411 -5.383 128 HG3 MET 15 HG3 MET 15 0.456 2.277 -6.449 129 HE1 MET 15 HE1 MET 15 2.447 0.931 -2.528 130 HE2 MET 15 HE2 MET 15 2.685 2.526 -3.238 131 HE3 MET 15 HE3 MET 15 3.327 1.093 -4.044 132 H SER 16 H SER 16 2.196 1.070 -8.916 133 HA SER 16 HA SER 16 0.456 2.330 -10.845 134 HB2 SER 16 HB2 SER 16 0.674 -0.615 -10.030 135 HB3 SER 16 HB3 SER 16 -0.064 0.008 -11.509 136 HG SER 16 HG SER 16 2.637 -0.207 -10.805 137 H GLU 17 H GLU 17 -1.885 2.317 -10.788 138 HA GLU 17 HA GLU 17 -3.071 2.636 -8.264 139 HB2 GLU 17 HB2 GLU 17 -4.371 2.155 -10.962 140 HB3 GLU 17 HB3 GLU 17 -5.298 2.468 -9.495 141 HG2 GLU 17 HG2 GLU 17 -3.885 4.611 -9.277 142 HG3 GLU 17 HG3 GLU 17 -3.420 4.324 -10.958 143 H GLU 18 H GLU 18 -2.873 -0.213 -10.361 144 HA GLU 18 HA GLU 18 -4.583 -1.912 -8.903 145 HB2 GLU 18 HB2 GLU 18 -3.733 -2.495 -11.156 146 HB3 GLU 18 HB3 GLU 18 -2.112 -2.688 -10.490 147 HG2 GLU 18 HG2 GLU 18 -2.965 -4.541 -9.027 148 HG3 GLU 18 HG3 GLU 18 -4.548 -4.372 -9.794 149 H CYS 19 H CYS 19 -1.187 -0.992 -8.397 150 HA CYS 19 HA CYS 19 -0.486 -2.945 -6.477 151 HB2 CYS 19 HB2 CYS 19 1.130 -1.255 -7.654 152 HB3 CYS 19 HB3 CYS 19 0.581 -0.093 -6.473 153 H ARG 20 H ARG 20 -1.896 0.346 -6.132 154 HA ARG 20 HA ARG 20 -2.194 0.420 -3.328 155 HB2 ARG 20 HB2 ARG 20 -4.184 1.513 -5.346 156 HB3 ARG 20 HB3 ARG 20 -4.008 2.000 -3.653 157 HG2 ARG 20 HG2 ARG 20 -1.796 2.968 -4.204 158 HG3 ARG 20 HG3 ARG 20 -2.053 2.528 -5.911 159 HD2 ARG 20 HD2 ARG 20 -3.871 4.289 -4.232 160 HD3 ARG 20 HD3 ARG 20 -2.742 4.858 -5.469 161 HE ARG 20 HE ARG 20 -4.121 3.559 -7.093 162 HH11 ARG 20 HH11 ARG 20 -5.618 4.460 -4.054 163 HH12 ARG 20 HH12 ARG 20 -7.227 4.450 -4.701 164 HH21 ARG 20 HH21 ARG 20 -6.236 3.717 -7.979 165 HH22 ARG 20 HH22 ARG 20 -7.571 4.028 -6.918 166 H GLN 21 H GLN 21 -4.333 -0.764 -5.885 167 HA GLN 21 HA GLN 21 -6.617 -1.191 -4.380 168 HB2 GLN 21 HB2 GLN 21 -5.709 -2.611 -6.928 169 HB3 GLN 21 HB3 GLN 21 -7.334 -2.761 -6.256 170 HG2 GLN 21 HG2 GLN 21 -7.860 -0.501 -6.719 171 HG3 GLN 21 HG3 GLN 21 -6.170 -0.068 -6.982 172 HE21 GLN 21 HE21 GLN 21 -6.472 0.755 -9.017 173 HE22 GLN 21 HE22 GLN 21 -6.894 -0.197 -10.390 174 H ARG 22 H ARG 22 -3.803 -3.182 -4.972 175 HA ARG 22 HA ARG 22 -4.552 -5.556 -3.575 176 HB2 ARG 22 HB2 ARG 22 -1.822 -4.324 -4.163 177 HB3 ARG 22 HB3 ARG 22 -2.062 -5.954 -3.562 178 HG2 ARG 22 HG2 ARG 22 -3.026 -6.675 -5.641 179 HG3 ARG 22 HG3 ARG 22 -3.147 -5.013 -6.233 180 HD2 ARG 22 HD2 ARG 22 -0.692 -4.831 -6.266 181 HD3 ARG 22 HD3 ARG 22 -0.546 -6.468 -5.630 182 HE ARG 22 HE ARG 22 -1.930 -6.165 -8.190 183 HH11 ARG 22 HH11 ARG 22 1.050 -7.013 -6.520 184 HH12 ARG 22 HH12 ARG 22 1.729 -7.843 -7.877 185 HH21 ARG 22 HH21 ARG 22 -1.011 -7.237 -9.992 186 HH22 ARG 22 HH22 ARG 22 0.554 -7.970 -9.858 187 H LEU 23 H LEU 23 -2.667 -2.607 -2.678 188 HA LEU 23 HA LEU 23 -1.748 -3.773 -0.225 189 HB2 LEU 23 HB2 LEU 23 -1.352 -1.049 -1.438 190 HB3 LEU 23 HB3 LEU 23 -0.532 -1.601 0.005 191 HG LEU 23 HG LEU 23 -0.265 -2.788 -2.773 192 HD11 LEU 23 HD11 LEU 23 1.763 -1.293 -1.131 193 HD12 LEU 23 HD12 LEU 23 0.891 -0.672 -2.540 194 HD13 LEU 23 HD13 LEU 23 2.017 -2.016 -2.725 195 HD21 LEU 23 HD21 LEU 23 -0.145 -4.571 -1.103 196 HD22 LEU 23 HD22 LEU 23 1.107 -3.679 -0.228 197 HD23 LEU 23 HD23 LEU 23 1.424 -4.293 -1.853 198 H GLU 24 H GLU 24 -3.826 -0.949 -0.924 199 HA GLU 24 HA GLU 24 -4.527 -0.147 1.627 200 HB2 GLU 24 HB2 GLU 24 -6.261 -0.288 -0.886 201 HB3 GLU 24 HB3 GLU 24 -6.776 0.524 0.596 202 HG2 GLU 24 HG2 GLU 24 -4.883 2.070 0.404 203 HG3 GLU 24 HG3 GLU 24 -4.367 1.274 -1.085 204 H LYS 25 H LYS 25 -5.744 -2.794 -0.334 205 HA LYS 25 HA LYS 25 -7.939 -3.505 1.326 206 HB2 LYS 25 HB2 LYS 25 -7.708 -3.942 -1.158 207 HB3 LYS 25 HB3 LYS 25 -6.530 -5.192 -0.777 208 HG2 LYS 25 HG2 LYS 25 -8.260 -6.435 0.469 209 HG3 LYS 25 HG3 LYS 25 -9.432 -5.168 0.113 210 HD2 LYS 25 HD2 LYS 25 -9.708 -7.111 -1.378 211 HD3 LYS 25 HD3 LYS 25 -9.284 -5.652 -2.277 212 HE2 LYS 25 HE2 LYS 25 -6.938 -6.436 -2.430 213 HE3 LYS 25 HE3 LYS 25 -7.369 -7.884 -1.511 214 HZ1 LYS 25 HZ1 LYS 25 -8.817 -8.573 -3.268 215 HZ2 LYS 25 HZ2 LYS 25 -7.294 -8.240 -3.924 216 HZ3 LYS 25 HZ3 LYS 25 -8.557 -7.135 -4.122 217 H MET 26 H MET 26 -4.695 -4.942 0.779 218 HA MET 26 HA MET 26 -4.801 -7.033 2.650 219 HB2 MET 26 HB2 MET 26 -2.406 -5.489 1.593 220 HB3 MET 26 HB3 MET 26 -2.280 -6.983 2.513 221 HG2 MET 26 HG2 MET 26 -3.500 -8.164 0.732 222 HG3 MET 26 HG3 MET 26 -3.605 -6.667 -0.183 223 HE1 MET 26 HE1 MET 26 -1.047 -9.320 1.344 224 HE2 MET 26 HE2 MET 26 -0.410 -7.785 1.941 225 HE3 MET 26 HE3 MET 26 0.473 -8.692 0.715 226 H CYS 27 H CYS 27 -4.013 -3.647 3.022 227 HA CYS 27 HA CYS 27 -2.879 -3.641 5.613 228 HB2 CYS 27 HB2 CYS 27 -2.533 -1.711 4.260 229 HB3 CYS 27 HB3 CYS 27 -4.242 -1.563 3.885 230 H LYS 28 H LYS 28 -6.180 -3.557 4.421 231 HA LYS 28 HA LYS 28 -7.340 -3.256 7.112 232 HB2 LYS 28 HB2 LYS 28 -8.457 -3.051 4.303 233 HB3 LYS 28 HB3 LYS 28 -9.534 -3.202 5.689 234 HG2 LYS 28 HG2 LYS 28 -8.757 -1.146 6.644 235 HG3 LYS 28 HG3 LYS 28 -7.434 -1.018 5.482 236 HD2 LYS 28 HD2 LYS 28 -10.308 -1.052 4.516 237 HD3 LYS 28 HD3 LYS 28 -9.621 0.435 5.170 238 HE2 LYS 28 HE2 LYS 28 -8.510 -1.131 2.802 239 HE3 LYS 28 HE3 LYS 28 -9.432 0.374 2.714 240 HZ1 LYS 28 HZ1 LYS 28 -6.746 -0.008 3.926 241 HZ2 LYS 28 HZ2 LYS 28 -7.646 1.417 4.057 242 HZ3 LYS 28 HZ3 LYS 28 -7.128 0.887 2.541 243 H GLU 29 H GLU 29 -6.684 -5.742 4.787 244 HA GLU 29 HA GLU 29 -8.614 -7.664 5.782 245 HB2 GLU 29 HB2 GLU 29 -6.281 -7.937 3.841 246 HB3 GLU 29 HB3 GLU 29 -7.279 -9.304 4.330 247 HG2 GLU 29 HG2 GLU 29 -9.264 -8.209 3.355 248 HG3 GLU 29 HG3 GLU 29 -8.270 -6.834 2.870 249 H GLY 30 H GLY 30 -5.239 -6.834 6.298 250 HA2 GLY 30 HA2 GLY 30 -5.050 -8.751 8.547 251 HA3 GLY 30 HA3 GLY 30 -3.858 -8.839 7.252 252 H THR 31 H THR 31 -2.303 -7.177 7.053 253 HA THR 31 HA THR 31 -2.043 -5.402 9.418 254 HB THR 31 HB THR 31 0.491 -5.912 9.238 255 HG1 THR 31 HG1 THR 31 1.023 -7.842 8.204 256 HG21 THR 31 HG21 THR 31 -0.869 -6.790 11.107 257 HG22 THR 31 HG22 THR 31 0.346 -7.966 10.603 258 HG23 THR 31 HG23 THR 31 -1.337 -8.179 10.120 259 H SER 32 H SER 32 -1.311 -3.412 9.041 260 HA SER 32 HA SER 32 -1.058 -2.310 6.442 261 HB2 SER 32 HB2 SER 32 -0.215 -0.271 7.760 262 HB3 SER 32 HB3 SER 32 -1.816 -0.864 8.220 263 HG SER 32 HG SER 32 0.583 -0.893 9.625 264 H GLU 33 H GLU 33 1.272 -3.431 8.882 265 HA GLU 33 HA GLU 33 3.696 -2.489 7.903 266 HB2 GLU 33 HB2 GLU 33 3.047 -5.090 9.340 267 HB3 GLU 33 HB3 GLU 33 4.700 -4.529 9.068 268 HG2 GLU 33 HG2 GLU 33 4.298 -2.539 10.412 269 HG3 GLU 33 HG3 GLU 33 2.595 -2.964 10.599 270 H ASP 34 H ASP 34 1.908 -5.389 6.892 271 HA ASP 34 HA ASP 34 3.979 -6.342 5.113 272 HB2 ASP 34 HB2 ASP 34 1.152 -7.254 5.726 273 HB3 ASP 34 HB3 ASP 34 2.030 -7.934 4.355 274 H ALA 35 H ALA 35 1.038 -4.431 4.766 275 HA ALA 35 HA ALA 35 0.841 -4.471 1.929 276 HB1 ALA 35 HB1 ALA 35 -1.038 -3.822 3.385 277 HB2 ALA 35 HB2 ALA 35 -0.677 -2.543 2.226 278 HB3 ALA 35 HB3 ALA 35 -0.156 -2.383 3.905 279 H GLU 36 H GLU 36 2.280 -2.101 4.181 280 HA GLU 36 HA GLU 36 3.341 -0.403 2.155 281 HB2 GLU 36 HB2 GLU 36 4.481 0.767 3.998 282 HB3 GLU 36 HB3 GLU 36 2.789 0.468 4.382 283 HG2 GLU 36 HG2 GLU 36 3.516 -1.529 5.724 284 HG3 GLU 36 HG3 GLU 36 5.194 -1.048 5.455 285 H ARG 37 H ARG 37 4.599 -3.210 3.922 286 HA ARG 37 HA ARG 37 7.297 -3.116 3.106 287 HB2 ARG 37 HB2 ARG 37 6.545 -4.766 4.750 288 HB3 ARG 37 HB3 ARG 37 5.505 -5.537 3.557 289 HG2 ARG 37 HG2 ARG 37 7.520 -6.204 2.249 290 HG3 ARG 37 HG3 ARG 37 8.547 -5.462 3.481 291 HD2 ARG 37 HD2 ARG 37 6.633 -7.772 3.923 292 HD3 ARG 37 HD3 ARG 37 8.384 -7.909 3.756 293 HE ARG 37 HE ARG 37 8.233 -6.244 5.832 294 HH11 ARG 37 HH11 ARG 37 6.428 -9.231 5.269 295 HH12 ARG 37 HH12 ARG 37 6.272 -9.584 6.958 296 HH21 ARG 37 HH21 ARG 37 8.043 -6.753 8.023 297 HH22 ARG 37 HH22 ARG 37 7.191 -8.175 8.520 298 H MET 38 H MET 38 4.480 -4.687 1.538 299 HA MET 38 HA MET 38 5.856 -5.566 -0.764 300 HB2 MET 38 HB2 MET 38 2.909 -4.999 -0.350 301 HB3 MET 38 HB3 MET 38 3.553 -5.758 -1.798 302 HG2 MET 38 HG2 MET 38 3.822 -6.921 0.989 303 HG3 MET 38 HG3 MET 38 2.540 -7.343 -0.138 304 HE1 MET 38 HE1 MET 38 6.008 -8.181 1.162 305 HE2 MET 38 HE2 MET 38 6.619 -7.149 -0.135 306 HE3 MET 38 HE3 MET 38 6.868 -8.894 -0.201 307 H ALA 39 H ALA 39 4.413 -2.465 0.042 308 HA ALA 39 HA ALA 39 4.313 -1.218 -2.462 309 HB1 ALA 39 HB1 ALA 39 4.384 0.903 -1.207 310 HB2 ALA 39 HB2 ALA 39 4.935 0.038 0.233 311 HB3 ALA 39 HB3 ALA 39 3.328 -0.275 -0.418 312 H ARG 40 H ARG 40 7.016 -1.379 -0.113 313 HA ARG 40 HA ARG 40 8.761 0.150 -1.843 314 HB2 ARG 40 HB2 ARG 40 10.494 -0.214 -0.038 315 HB3 ARG 40 HB3 ARG 40 9.049 0.657 0.433 316 HG2 ARG 40 HG2 ARG 40 9.541 -0.729 2.252 317 HG3 ARG 40 HG3 ARG 40 8.205 -1.531 1.434 318 HD2 ARG 40 HD2 ARG 40 9.905 -3.121 2.203 319 HD3 ARG 40 HD3 ARG 40 9.755 -3.144 0.445 320 HE ARG 40 HE ARG 40 11.788 -1.623 0.487 321 HH11 ARG 40 HH11 ARG 40 11.249 -4.008 3.038 322 HH12 ARG 40 HH12 ARG 40 12.942 -4.180 3.387 323 HH21 ARG 40 HH21 ARG 40 13.979 -1.894 0.935 324 HH22 ARG 40 HH22 ARG 40 14.490 -2.981 2.187 325 H ASN 41 H ASN 41 7.797 -2.805 -2.411 326 HA ASN 41 HA ASN 41 10.224 -3.233 -4.028 327 HB2 ASN 41 HB2 ASN 41 9.940 -5.735 -3.821 328 HB3 ASN 41 HB3 ASN 41 10.464 -4.949 -2.343 329 HD21 ASN 41 HD21 ASN 41 9.178 -5.017 -0.560 330 HD22 ASN 41 HD22 ASN 41 7.711 -5.915 -0.467 331 H CYS 42 H CYS 42 6.988 -2.596 -3.960 332 HA CYS 42 HA CYS 42 6.195 -4.001 -6.393 333 HB2 CYS 42 HB2 CYS 42 4.488 -3.588 -4.676 334 HB3 CYS 42 HB3 CYS 42 4.809 -1.860 -4.721 335 H GLU 43 H GLU 43 6.735 -0.636 -5.358 336 HA GLU 43 HA GLU 43 6.799 0.321 -8.141 337 HB2 GLU 43 HB2 GLU 43 6.540 2.552 -7.154 338 HB3 GLU 43 HB3 GLU 43 5.327 1.456 -6.505 339 HG2 GLU 43 HG2 GLU 43 7.056 1.144 -4.539 340 HG3 GLU 43 HG3 GLU 43 7.719 2.669 -5.118 341 H SER 44 H SER 44 8.792 0.038 -5.235 342 HA SER 44 HA SER 44 11.078 1.436 -6.345 343 HB2 SER 44 HB2 SER 44 10.849 -0.204 -3.778 344 HB3 SER 44 HB3 SER 44 12.153 0.911 -4.197 345 HG SER 44 HG SER 44 10.397 2.527 -4.347 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -4.867 4.113 14.487 2 H2 ALA 1 H2 ALA 1 -3.594 5.215 14.647 3 H3 ALA 1 H3 ALA 1 -3.287 3.629 14.149 4 HA ALA 1 HA ALA 1 -4.889 5.596 12.636 5 HB1 ALA 1 HB1 ALA 1 -2.936 5.735 11.123 6 HB2 ALA 1 HB2 ALA 1 -2.035 4.660 12.196 7 HB3 ALA 1 HB3 ALA 1 -2.532 6.256 12.760 8 HA PRO 2 HA PRO 2 -6.538 1.668 11.142 9 HB2 PRO 2 HB2 PRO 2 -7.770 3.263 8.933 10 HB3 PRO 2 HB3 PRO 2 -8.552 2.267 10.174 11 HG2 PRO 2 HG2 PRO 2 -8.702 4.927 10.285 12 HG3 PRO 2 HG3 PRO 2 -8.522 3.962 11.768 13 HD2 PRO 2 HD2 PRO 2 -6.406 5.499 10.261 14 HD3 PRO 2 HD3 PRO 2 -6.698 5.411 12.015 15 H CYS 3 H CYS 3 -5.755 3.762 8.298 16 HA CYS 3 HA CYS 3 -3.737 1.940 7.282 17 HB2 CYS 3 HB2 CYS 3 -6.052 0.939 6.674 18 HB3 CYS 3 HB3 CYS 3 -6.241 2.309 5.589 19 H GLU 4 H GLU 4 -4.326 4.823 7.987 20 HA GLU 4 HA GLU 4 -4.557 6.395 5.613 21 HB2 GLU 4 HB2 GLU 4 -4.175 8.319 7.202 22 HB3 GLU 4 HB3 GLU 4 -5.481 7.235 7.664 23 HG2 GLU 4 HG2 GLU 4 -3.938 6.126 9.279 24 HG3 GLU 4 HG3 GLU 4 -2.700 7.314 8.867 25 H ASP 5 H ASP 5 -1.842 5.551 7.758 26 HA ASP 5 HA ASP 5 0.196 7.124 6.647 27 HB2 ASP 5 HB2 ASP 5 0.402 4.356 7.927 28 HB3 ASP 5 HB3 ASP 5 1.777 5.416 7.601 29 H LEU 6 H LEU 6 -1.071 3.937 5.778 30 HA LEU 6 HA LEU 6 0.796 3.260 3.765 31 HB2 LEU 6 HB2 LEU 6 -0.717 1.631 4.816 32 HB3 LEU 6 HB3 LEU 6 -2.105 2.469 4.145 33 HG LEU 6 HG LEU 6 -1.065 1.920 1.810 34 HD11 LEU 6 HD11 LEU 6 0.429 -0.119 3.466 35 HD12 LEU 6 HD12 LEU 6 1.133 1.229 2.571 36 HD13 LEU 6 HD13 LEU 6 0.334 -0.078 1.701 37 HD21 LEU 6 HD21 LEU 6 -2.190 -0.338 3.461 38 HD22 LEU 6 HD22 LEU 6 -2.191 -0.218 1.699 39 HD23 LEU 6 HD23 LEU 6 -3.131 0.923 2.662 40 H LYS 7 H LYS 7 -2.487 4.719 3.617 41 HA LYS 7 HA LYS 7 -2.788 4.725 0.839 42 HB2 LYS 7 HB2 LYS 7 -4.692 4.916 2.335 43 HB3 LYS 7 HB3 LYS 7 -4.113 6.459 2.960 44 HG2 LYS 7 HG2 LYS 7 -4.459 7.469 0.698 45 HG3 LYS 7 HG3 LYS 7 -5.093 5.923 0.129 46 HD2 LYS 7 HD2 LYS 7 -6.307 7.614 2.349 47 HD3 LYS 7 HD3 LYS 7 -6.872 7.572 0.678 48 HE2 LYS 7 HE2 LYS 7 -7.406 5.164 0.932 49 HE3 LYS 7 HE3 LYS 7 -6.870 5.231 2.613 50 HZ1 LYS 7 HZ1 LYS 7 -8.611 6.794 3.099 51 HZ2 LYS 7 HZ2 LYS 7 -9.284 5.422 2.381 52 HZ3 LYS 7 HZ3 LYS 7 -9.099 6.841 1.480 53 H GLU 8 H GLU 8 -1.701 7.355 2.978 54 HA GLU 8 HA GLU 8 -1.585 9.316 0.910 55 HB2 GLU 8 HB2 GLU 8 -0.238 9.389 3.632 56 HB3 GLU 8 HB3 GLU 8 -0.562 10.768 2.577 57 HG2 GLU 8 HG2 GLU 8 -2.630 9.009 3.917 58 HG3 GLU 8 HG3 GLU 8 -2.194 10.643 4.410 59 H ARG 9 H ARG 9 0.738 6.998 2.174 60 HA ARG 9 HA ARG 9 2.967 8.028 0.662 61 HB2 ARG 9 HB2 ARG 9 2.481 5.418 2.115 62 HB3 ARG 9 HB3 ARG 9 3.941 5.685 1.163 63 HG2 ARG 9 HG2 ARG 9 4.499 7.628 2.592 64 HG3 ARG 9 HG3 ARG 9 3.051 7.323 3.559 65 HD2 ARG 9 HD2 ARG 9 5.395 5.416 3.216 66 HD3 ARG 9 HD3 ARG 9 5.079 6.421 4.640 67 HE ARG 9 HE ARG 9 2.854 4.745 3.975 68 HH11 ARG 9 HH11 ARG 9 5.993 4.651 5.605 69 HH12 ARG 9 HH12 ARG 9 5.541 3.321 6.626 70 HH21 ARG 9 HH21 ARG 9 2.268 3.081 5.378 71 HH22 ARG 9 HH22 ARG 9 3.421 2.436 6.496 72 H LEU 10 H LEU 10 0.318 5.730 0.031 73 HA LEU 10 HA LEU 10 1.458 4.438 -2.235 74 HB2 LEU 10 HB2 LEU 10 -1.510 4.867 -1.707 75 HB3 LEU 10 HB3 LEU 10 -0.819 3.711 -2.836 76 HG LEU 10 HG LEU 10 -0.788 3.603 0.189 77 HD11 LEU 10 HD11 LEU 10 -1.905 1.487 -0.078 78 HD12 LEU 10 HD12 LEU 10 -1.834 1.635 -1.835 79 HD13 LEU 10 HD13 LEU 10 -2.799 2.771 -0.887 80 HD21 LEU 10 HD21 LEU 10 1.453 2.975 -0.488 81 HD22 LEU 10 HD22 LEU 10 0.817 1.835 -1.675 82 HD23 LEU 10 HD23 LEU 10 0.569 1.551 0.050 83 H LYS 11 H LYS 11 -0.676 7.270 -1.905 84 HA LYS 11 HA LYS 11 -0.889 7.808 -4.711 85 HB2 LYS 11 HB2 LYS 11 -1.954 9.933 -4.019 86 HB3 LYS 11 HB3 LYS 11 -2.636 8.555 -3.162 87 HG2 LYS 11 HG2 LYS 11 -1.290 9.113 -1.173 88 HG3 LYS 11 HG3 LYS 11 -0.575 10.478 -2.027 89 HD2 LYS 11 HD2 LYS 11 -2.314 11.242 -0.494 90 HD3 LYS 11 HD3 LYS 11 -2.797 11.560 -2.161 91 HE2 LYS 11 HE2 LYS 11 -4.360 9.710 -2.117 92 HE3 LYS 11 HE3 LYS 11 -3.743 9.161 -0.554 93 HZ1 LYS 11 HZ1 LYS 11 -5.847 10.406 -0.383 94 HZ2 LYS 11 HZ2 LYS 11 -5.077 11.781 -0.998 95 HZ3 LYS 11 HZ3 LYS 11 -4.589 11.131 0.484 96 H LYS 12 H LYS 12 1.288 8.869 -2.141 97 HA LYS 12 HA LYS 12 2.561 11.021 -3.515 98 HB2 LYS 12 HB2 LYS 12 2.566 10.674 -1.015 99 HB3 LYS 12 HB3 LYS 12 3.663 9.308 -1.243 100 HG2 LYS 12 HG2 LYS 12 5.317 10.909 -2.279 101 HG3 LYS 12 HG3 LYS 12 4.224 12.232 -1.863 102 HD2 LYS 12 HD2 LYS 12 4.435 11.661 0.528 103 HD3 LYS 12 HD3 LYS 12 5.505 10.315 0.114 104 HE2 LYS 12 HE2 LYS 12 6.806 12.253 0.900 105 HE3 LYS 12 HE3 LYS 12 7.160 11.907 -0.791 106 HZ1 LYS 12 HZ1 LYS 12 5.607 13.709 -1.406 107 HZ2 LYS 12 HZ2 LYS 12 6.911 14.265 -0.486 108 HZ3 LYS 12 HZ3 LYS 12 5.394 14.074 0.231 109 H LEU 13 H LEU 13 3.213 7.590 -3.153 110 HA LEU 13 HA LEU 13 5.851 7.593 -4.245 111 HB2 LEU 13 HB2 LEU 13 4.890 6.009 -2.536 112 HB3 LEU 13 HB3 LEU 13 3.906 5.298 -3.791 113 HG LEU 13 HG LEU 13 6.929 5.240 -4.044 114 HD11 LEU 13 HD11 LEU 13 5.290 3.261 -2.434 115 HD12 LEU 13 HD12 LEU 13 6.442 4.424 -1.776 116 HD13 LEU 13 HD13 LEU 13 7.011 3.117 -2.819 117 HD21 LEU 13 HD21 LEU 13 6.501 3.132 -5.272 118 HD22 LEU 13 HD22 LEU 13 5.619 4.476 -5.993 119 HD23 LEU 13 HD23 LEU 13 4.769 3.313 -4.979 120 H GLY 14 H GLY 14 2.597 7.385 -5.515 121 HA2 GLY 14 HA2 GLY 14 1.761 7.382 -7.643 122 HA3 GLY 14 HA3 GLY 14 3.358 7.880 -8.180 123 H MET 15 H MET 15 2.259 4.876 -6.631 124 HA MET 15 HA MET 15 3.719 3.174 -8.425 125 HB2 MET 15 HB2 MET 15 2.661 1.359 -7.051 126 HB3 MET 15 HB3 MET 15 3.483 2.571 -6.078 127 HG2 MET 15 HG2 MET 15 1.263 3.644 -5.630 128 HG3 MET 15 HG3 MET 15 0.498 2.328 -6.511 129 HE1 MET 15 HE1 MET 15 2.791 3.185 -3.400 130 HE2 MET 15 HE2 MET 15 3.648 1.847 -4.167 131 HE3 MET 15 HE3 MET 15 2.849 1.613 -2.609 132 H SER 16 H SER 16 2.375 1.137 -9.208 133 HA SER 16 HA SER 16 0.632 1.893 -11.284 134 HB2 SER 16 HB2 SER 16 0.951 -0.828 -9.946 135 HB3 SER 16 HB3 SER 16 0.177 -0.552 -11.502 136 HG SER 16 HG SER 16 2.620 0.575 -11.506 137 H GLU 17 H GLU 17 -1.668 1.747 -11.507 138 HA GLU 17 HA GLU 17 -3.141 2.506 -9.217 139 HB2 GLU 17 HB2 GLU 17 -4.012 1.663 -11.990 140 HB3 GLU 17 HB3 GLU 17 -5.181 2.103 -10.738 141 HG2 GLU 17 HG2 GLU 17 -4.160 4.303 -10.496 142 HG3 GLU 17 HG3 GLU 17 -2.929 3.892 -11.690 143 H GLU 18 H GLU 18 -2.636 -0.596 -10.734 144 HA GLU 18 HA GLU 18 -4.483 -2.148 -9.280 145 HB2 GLU 18 HB2 GLU 18 -3.333 -2.886 -11.364 146 HB3 GLU 18 HB3 GLU 18 -1.807 -2.948 -10.493 147 HG2 GLU 18 HG2 GLU 18 -2.618 -4.780 -9.101 148 HG3 GLU 18 HG3 GLU 18 -4.220 -4.657 -9.824 149 H CYS 19 H CYS 19 -1.326 -0.817 -8.434 150 HA CYS 19 HA CYS 19 -0.532 -2.773 -6.524 151 HB2 CYS 19 HB2 CYS 19 1.056 -1.080 -7.655 152 HB3 CYS 19 HB3 CYS 19 0.380 0.137 -6.605 153 H ARG 20 H ARG 20 -2.023 0.475 -6.211 154 HA ARG 20 HA ARG 20 -2.061 0.502 -3.361 155 HB2 ARG 20 HB2 ARG 20 -4.220 2.037 -4.821 156 HB3 ARG 20 HB3 ARG 20 -3.286 2.492 -3.404 157 HG2 ARG 20 HG2 ARG 20 -2.430 3.943 -4.988 158 HG3 ARG 20 HG3 ARG 20 -1.291 2.617 -5.138 159 HD2 ARG 20 HD2 ARG 20 -1.928 3.370 -7.321 160 HD3 ARG 20 HD3 ARG 20 -2.610 1.761 -7.026 161 HE ARG 20 HE ARG 20 -4.757 2.716 -6.791 162 HH11 ARG 20 HH11 ARG 20 -2.356 5.114 -7.811 163 HH12 ARG 20 HH12 ARG 20 -3.555 6.214 -8.407 164 HH21 ARG 20 HH21 ARG 20 -6.277 4.160 -7.622 165 HH22 ARG 20 HH22 ARG 20 -5.771 5.671 -8.300 166 H GLN 21 H GLN 21 -4.311 -0.675 -5.770 167 HA GLN 21 HA GLN 21 -6.548 -1.206 -4.146 168 HB2 GLN 21 HB2 GLN 21 -5.616 -2.597 -6.696 169 HB3 GLN 21 HB3 GLN 21 -7.218 -2.792 -5.979 170 HG2 GLN 21 HG2 GLN 21 -7.783 -0.503 -6.412 171 HG3 GLN 21 HG3 GLN 21 -6.121 -0.107 -6.849 172 HE21 GLN 21 HE21 GLN 21 -6.696 0.713 -8.837 173 HE22 GLN 21 HE22 GLN 21 -7.213 -0.276 -10.155 174 H ARG 22 H ARG 22 -3.664 -3.073 -4.970 175 HA ARG 22 HA ARG 22 -4.426 -5.494 -3.622 176 HB2 ARG 22 HB2 ARG 22 -1.898 -4.466 -4.904 177 HB3 ARG 22 HB3 ARG 22 -1.733 -5.781 -3.752 178 HG2 ARG 22 HG2 ARG 22 -1.865 -6.624 -6.056 179 HG3 ARG 22 HG3 ARG 22 -3.207 -7.199 -5.070 180 HD2 ARG 22 HD2 ARG 22 -4.626 -5.381 -6.067 181 HD3 ARG 22 HD3 ARG 22 -3.291 -5.004 -7.155 182 HE ARG 22 HE ARG 22 -3.604 -7.575 -7.700 183 HH11 ARG 22 HH11 ARG 22 -6.077 -5.076 -7.312 184 HH12 ARG 22 HH12 ARG 22 -7.196 -5.835 -8.394 185 HH21 ARG 22 HH21 ARG 22 -5.105 -8.553 -9.155 186 HH22 ARG 22 HH22 ARG 22 -6.640 -7.798 -9.433 187 H LEU 23 H LEU 23 -2.607 -2.582 -2.731 188 HA LEU 23 HA LEU 23 -1.486 -3.743 -0.354 189 HB2 LEU 23 HB2 LEU 23 -1.552 -0.887 -1.333 190 HB3 LEU 23 HB3 LEU 23 -0.578 -1.464 0.003 191 HG LEU 23 HG LEU 23 -0.293 -2.314 -2.900 192 HD11 LEU 23 HD11 LEU 23 1.861 -1.211 -2.879 193 HD12 LEU 23 HD12 LEU 23 1.575 -0.659 -1.226 194 HD13 LEU 23 HD13 LEU 23 0.553 -0.076 -2.544 195 HD21 LEU 23 HD21 LEU 23 0.209 -4.202 -1.472 196 HD22 LEU 23 HD22 LEU 23 1.322 -3.219 -0.515 197 HD23 LEU 23 HD23 LEU 23 1.687 -3.581 -2.204 198 H GLU 24 H GLU 24 -3.973 -1.161 -0.892 199 HA GLU 24 HA GLU 24 -4.763 -0.849 1.767 200 HB2 GLU 24 HB2 GLU 24 -6.370 -0.500 -0.782 201 HB3 GLU 24 HB3 GLU 24 -7.024 -0.107 0.808 202 HG2 GLU 24 HG2 GLU 24 -5.107 1.513 1.108 203 HG3 GLU 24 HG3 GLU 24 -4.644 1.190 -0.568 204 H LYS 25 H LYS 25 -5.544 -3.412 -0.507 205 HA LYS 25 HA LYS 25 -7.791 -4.516 0.880 206 HB2 LYS 25 HB2 LYS 25 -7.137 -4.896 -1.557 207 HB3 LYS 25 HB3 LYS 25 -5.856 -5.952 -0.980 208 HG2 LYS 25 HG2 LYS 25 -7.638 -7.391 0.095 209 HG3 LYS 25 HG3 LYS 25 -8.846 -6.363 -0.678 210 HD2 LYS 25 HD2 LYS 25 -8.526 -8.346 -2.034 211 HD3 LYS 25 HD3 LYS 25 -7.881 -6.953 -2.908 212 HE2 LYS 25 HE2 LYS 25 -6.353 -8.847 -3.129 213 HE3 LYS 25 HE3 LYS 25 -5.580 -7.596 -2.153 214 HZ1 LYS 25 HZ1 LYS 25 -6.236 -8.864 -0.150 215 HZ2 LYS 25 HZ2 LYS 25 -5.234 -9.760 -1.175 216 HZ3 LYS 25 HZ3 LYS 25 -6.892 -10.073 -1.140 217 H MET 26 H MET 26 -4.322 -5.370 0.675 218 HA MET 26 HA MET 26 -4.252 -7.462 2.566 219 HB2 MET 26 HB2 MET 26 -2.068 -5.558 1.634 220 HB3 MET 26 HB3 MET 26 -1.772 -7.006 2.588 221 HG2 MET 26 HG2 MET 26 -2.570 -8.407 0.781 222 HG3 MET 26 HG3 MET 26 -3.057 -7.003 -0.150 223 HE1 MET 26 HE1 MET 26 0.008 -8.908 1.408 224 HE2 MET 26 HE2 MET 26 0.360 -7.255 1.922 225 HE3 MET 26 HE3 MET 26 1.365 -8.036 0.703 226 H CYS 27 H CYS 27 -4.109 -4.009 2.907 227 HA CYS 27 HA CYS 27 -3.046 -3.822 5.542 228 HB2 CYS 27 HB2 CYS 27 -2.862 -1.988 3.994 229 HB3 CYS 27 HB3 CYS 27 -4.603 -1.917 3.785 230 H LYS 28 H LYS 28 -6.336 -3.656 4.211 231 HA LYS 28 HA LYS 28 -7.523 -3.131 6.813 232 HB2 LYS 28 HB2 LYS 28 -8.783 -3.490 4.063 233 HB3 LYS 28 HB3 LYS 28 -9.681 -3.075 5.523 234 HG2 LYS 28 HG2 LYS 28 -8.433 -0.978 5.737 235 HG3 LYS 28 HG3 LYS 28 -7.456 -1.384 4.324 236 HD2 LYS 28 HD2 LYS 28 -10.473 -0.919 4.313 237 HD3 LYS 28 HD3 LYS 28 -9.264 0.259 3.798 238 HE2 LYS 28 HE2 LYS 28 -8.557 -1.272 1.977 239 HE3 LYS 28 HE3 LYS 28 -9.765 -2.448 2.498 240 HZ1 LYS 28 HZ1 LYS 28 -10.317 0.280 1.451 241 HZ2 LYS 28 HZ2 LYS 28 -11.491 -0.807 1.993 242 HZ3 LYS 28 HZ3 LYS 28 -10.567 -1.175 0.628 243 H GLU 29 H GLU 29 -6.973 -5.909 4.781 244 HA GLU 29 HA GLU 29 -8.720 -7.691 6.301 245 HB2 GLU 29 HB2 GLU 29 -6.623 -8.309 4.169 246 HB3 GLU 29 HB3 GLU 29 -7.692 -9.505 4.905 247 HG2 GLU 29 HG2 GLU 29 -9.650 -8.333 3.946 248 HG3 GLU 29 HG3 GLU 29 -8.573 -7.148 3.208 249 H GLY 30 H GLY 30 -5.206 -7.632 5.607 250 HA2 GLY 30 HA2 GLY 30 -4.556 -9.140 8.036 251 HA3 GLY 30 HA3 GLY 30 -3.450 -8.650 6.761 252 H THR 31 H THR 31 -2.164 -6.901 7.104 253 HA THR 31 HA THR 31 -2.848 -4.943 9.213 254 HB THR 31 HB THR 31 -0.404 -4.951 9.947 255 HG1 THR 31 HG1 THR 31 0.408 -7.319 9.361 256 HG21 THR 31 HG21 THR 31 -0.539 -6.941 11.390 257 HG22 THR 31 HG22 THR 31 -1.849 -7.587 10.399 258 HG23 THR 31 HG23 THR 31 -2.098 -6.113 11.340 259 H SER 32 H SER 32 -1.900 -2.901 8.935 260 HA SER 32 HA SER 32 -1.422 -1.941 6.335 261 HB2 SER 32 HB2 SER 32 -2.194 -0.461 8.161 262 HB3 SER 32 HB3 SER 32 -0.671 -0.678 9.017 263 HG SER 32 HG SER 32 0.378 0.343 7.219 264 H GLU 33 H GLU 33 0.706 -3.225 8.807 265 HA GLU 33 HA GLU 33 3.187 -2.307 7.786 266 HB2 GLU 33 HB2 GLU 33 2.635 -4.729 9.546 267 HB3 GLU 33 HB3 GLU 33 4.204 -3.976 9.300 268 HG2 GLU 33 HG2 GLU 33 3.527 -3.172 11.392 269 HG3 GLU 33 HG3 GLU 33 3.152 -1.841 10.301 270 H ASP 34 H ASP 34 1.286 -5.224 7.284 271 HA ASP 34 HA ASP 34 3.089 -6.750 5.736 272 HB2 ASP 34 HB2 ASP 34 1.101 -7.711 6.816 273 HB3 ASP 34 HB3 ASP 34 0.041 -6.703 5.840 274 H ALA 35 H ALA 35 0.641 -4.355 4.890 275 HA ALA 35 HA ALA 35 0.777 -4.612 2.056 276 HB1 ALA 35 HB1 ALA 35 -0.301 -2.365 3.785 277 HB2 ALA 35 HB2 ALA 35 -1.202 -3.785 3.241 278 HB3 ALA 35 HB3 ALA 35 -0.634 -2.596 2.065 279 H GLU 36 H GLU 36 2.100 -2.180 4.326 280 HA GLU 36 HA GLU 36 3.251 -0.501 2.348 281 HB2 GLU 36 HB2 GLU 36 4.336 0.691 4.199 282 HB3 GLU 36 HB3 GLU 36 2.641 0.368 4.551 283 HG2 GLU 36 HG2 GLU 36 3.354 -1.593 5.920 284 HG3 GLU 36 HG3 GLU 36 5.032 -1.119 5.662 285 H ARG 37 H ARG 37 4.447 -3.288 4.097 286 HA ARG 37 HA ARG 37 7.178 -3.195 3.499 287 HB2 ARG 37 HB2 ARG 37 6.054 -4.882 4.995 288 HB3 ARG 37 HB3 ARG 37 5.390 -5.668 3.565 289 HG2 ARG 37 HG2 ARG 37 7.658 -6.211 2.789 290 HG3 ARG 37 HG3 ARG 37 8.347 -5.370 4.180 291 HD2 ARG 37 HD2 ARG 37 7.135 -7.005 5.667 292 HD3 ARG 37 HD3 ARG 37 6.665 -7.894 4.215 293 HE ARG 37 HE ARG 37 9.384 -7.678 4.012 294 HH11 ARG 37 HH11 ARG 37 7.247 -8.992 6.504 295 HH12 ARG 37 HH12 ARG 37 8.407 -10.163 7.041 296 HH21 ARG 37 HH21 ARG 37 10.899 -9.194 4.763 297 HH22 ARG 37 HH22 ARG 37 10.478 -10.274 6.052 298 H MET 38 H MET 38 4.485 -4.644 1.632 299 HA MET 38 HA MET 38 5.982 -5.295 -0.660 300 HB2 MET 38 HB2 MET 38 2.988 -4.821 -0.433 301 HB3 MET 38 HB3 MET 38 3.814 -5.697 -1.720 302 HG2 MET 38 HG2 MET 38 3.563 -6.536 1.183 303 HG3 MET 38 HG3 MET 38 2.800 -7.290 -0.218 304 HE1 MET 38 HE1 MET 38 4.255 -8.520 -2.161 305 HE2 MET 38 HE2 MET 38 6.001 -8.744 -2.056 306 HE3 MET 38 HE3 MET 38 5.330 -7.126 -2.274 307 H ALA 39 H ALA 39 4.421 -2.307 0.358 308 HA ALA 39 HA ALA 39 4.141 -1.000 -2.122 309 HB1 ALA 39 HB1 ALA 39 4.006 1.078 -0.815 310 HB2 ALA 39 HB2 ALA 39 4.655 0.242 0.600 311 HB3 ALA 39 HB3 ALA 39 3.079 -0.215 -0.047 312 H ARG 40 H ARG 40 6.870 -1.156 0.127 313 HA ARG 40 HA ARG 40 8.553 0.570 -1.494 314 HB2 ARG 40 HB2 ARG 40 10.283 0.069 0.320 315 HB3 ARG 40 HB3 ARG 40 8.834 0.929 0.824 316 HG2 ARG 40 HG2 ARG 40 7.907 -1.201 1.708 317 HG3 ARG 40 HG3 ARG 40 9.400 -2.018 1.249 318 HD2 ARG 40 HD2 ARG 40 10.680 -0.703 2.827 319 HD3 ARG 40 HD3 ARG 40 9.285 0.320 3.185 320 HE ARG 40 HE ARG 40 8.383 -1.361 4.501 321 HH11 ARG 40 HH11 ARG 40 11.303 -2.568 2.953 322 HH12 ARG 40 HH12 ARG 40 11.411 -3.962 3.973 323 HH21 ARG 40 HH21 ARG 40 8.565 -3.165 5.863 324 HH22 ARG 40 HH22 ARG 40 9.854 -4.305 5.630 325 H ASN 41 H ASN 41 7.653 -2.442 -2.150 326 HA ASN 41 HA ASN 41 10.064 -2.697 -3.835 327 HB2 ASN 41 HB2 ASN 41 10.142 -5.156 -3.628 328 HB3 ASN 41 HB3 ASN 41 10.456 -4.387 -2.081 329 HD21 ASN 41 HD21 ASN 41 9.019 -4.670 -0.421 330 HD22 ASN 41 HD22 ASN 41 7.703 -5.774 -0.471 331 H CYS 42 H CYS 42 6.925 -2.100 -3.796 332 HA CYS 42 HA CYS 42 5.770 -3.919 -5.673 333 HB2 CYS 42 HB2 CYS 42 4.315 -2.586 -4.238 334 HB3 CYS 42 HB3 CYS 42 4.959 -1.080 -4.887 335 H GLU 43 H GLU 43 7.578 -0.926 -5.996 336 HA GLU 43 HA GLU 43 7.855 -1.184 -8.861 337 HB2 GLU 43 HB2 GLU 43 5.585 -0.167 -8.638 338 HB3 GLU 43 HB3 GLU 43 6.271 1.159 -7.700 339 HG2 GLU 43 HG2 GLU 43 7.555 1.910 -9.637 340 HG3 GLU 43 HG3 GLU 43 6.980 0.535 -10.582 341 H SER 44 H SER 44 7.933 1.235 -6.248 342 HA SER 44 HA SER 44 10.565 2.215 -6.980 343 HB2 SER 44 HB2 SER 44 8.771 2.877 -4.609 344 HB3 SER 44 HB3 SER 44 10.241 3.753 -5.064 345 HG SER 44 HG SER 44 8.851 3.709 -7.235 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -2.627 4.508 12.974 2 H2 ALA 1 H2 ALA 1 -3.965 4.174 13.941 3 H3 ALA 1 H3 ALA 1 -3.133 5.638 14.122 4 HA ALA 1 HA ALA 1 -5.215 5.940 12.929 5 HB1 ALA 1 HB1 ALA 1 -4.266 7.227 11.045 6 HB2 ALA 1 HB2 ALA 1 -2.736 6.364 11.218 7 HB3 ALA 1 HB3 ALA 1 -3.290 7.436 12.502 8 HA PRO 2 HA PRO 2 -6.456 2.544 10.272 9 HB2 PRO 2 HB2 PRO 2 -8.459 3.669 8.779 10 HB3 PRO 2 HB3 PRO 2 -8.632 3.368 10.522 11 HG2 PRO 2 HG2 PRO 2 -7.905 5.940 9.135 12 HG3 PRO 2 HG3 PRO 2 -9.077 5.674 10.447 13 HD2 PRO 2 HD2 PRO 2 -6.589 6.609 10.937 14 HD3 PRO 2 HD3 PRO 2 -7.428 5.543 12.085 15 H CYS 3 H CYS 3 -4.221 2.748 9.263 16 HA CYS 3 HA CYS 3 -2.988 2.237 7.486 17 HB2 CYS 3 HB2 CYS 3 -5.283 1.134 6.832 18 HB3 CYS 3 HB3 CYS 3 -5.373 2.426 5.646 19 H GLU 4 H GLU 4 -3.599 5.073 8.239 20 HA GLU 4 HA GLU 4 -3.917 6.711 5.963 21 HB2 GLU 4 HB2 GLU 4 -2.772 7.335 8.712 22 HB3 GLU 4 HB3 GLU 4 -3.152 8.558 7.506 23 HG2 GLU 4 HG2 GLU 4 -5.141 6.688 8.829 24 HG3 GLU 4 HG3 GLU 4 -4.912 8.393 9.212 25 H ASP 5 H ASP 5 -1.019 5.796 7.813 26 HA ASP 5 HA ASP 5 0.968 7.206 6.443 27 HB2 ASP 5 HB2 ASP 5 1.393 6.130 8.594 28 HB3 ASP 5 HB3 ASP 5 1.051 4.539 7.927 29 H LEU 6 H LEU 6 -0.470 4.068 5.782 30 HA LEU 6 HA LEU 6 1.240 3.330 3.594 31 HB2 LEU 6 HB2 LEU 6 -0.044 1.810 5.196 32 HB3 LEU 6 HB3 LEU 6 -1.491 2.228 4.312 33 HG LEU 6 HG LEU 6 0.876 0.895 2.949 34 HD11 LEU 6 HD11 LEU 6 -1.466 -0.472 4.270 35 HD12 LEU 6 HD12 LEU 6 0.204 -0.480 4.839 36 HD13 LEU 6 HD13 LEU 6 -0.203 -1.245 3.310 37 HD21 LEU 6 HD21 LEU 6 -2.076 0.947 2.200 38 HD22 LEU 6 HD22 LEU 6 -0.803 0.095 1.316 39 HD23 LEU 6 HD23 LEU 6 -0.793 1.855 1.399 40 H LYS 7 H LYS 7 -1.979 4.703 3.968 41 HA LYS 7 HA LYS 7 -2.808 4.460 1.258 42 HB2 LYS 7 HB2 LYS 7 -4.374 4.504 3.131 43 HB3 LYS 7 HB3 LYS 7 -3.888 6.145 3.531 44 HG2 LYS 7 HG2 LYS 7 -4.900 7.008 1.514 45 HG3 LYS 7 HG3 LYS 7 -5.214 5.373 0.922 46 HD2 LYS 7 HD2 LYS 7 -7.239 6.507 1.877 47 HD3 LYS 7 HD3 LYS 7 -6.842 4.975 2.656 48 HE2 LYS 7 HE2 LYS 7 -5.829 6.184 4.547 49 HE3 LYS 7 HE3 LYS 7 -6.149 7.725 3.749 50 HZ1 LYS 7 HZ1 LYS 7 -8.239 5.789 4.585 51 HZ2 LYS 7 HZ2 LYS 7 -8.498 7.330 3.940 52 HZ3 LYS 7 HZ3 LYS 7 -7.788 7.159 5.464 53 H GLU 8 H GLU 8 -1.276 7.042 3.091 54 HA GLU 8 HA GLU 8 -1.401 8.994 1.002 55 HB2 GLU 8 HB2 GLU 8 0.086 10.358 2.309 56 HB3 GLU 8 HB3 GLU 8 -1.074 9.622 3.411 57 HG2 GLU 8 HG2 GLU 8 0.603 7.978 4.110 58 HG3 GLU 8 HG3 GLU 8 1.767 8.651 2.969 59 H ARG 9 H ARG 9 0.875 6.399 1.887 60 HA ARG 9 HA ARG 9 3.021 7.099 0.178 61 HB2 ARG 9 HB2 ARG 9 2.065 4.450 1.279 62 HB3 ARG 9 HB3 ARG 9 3.404 4.501 0.141 63 HG2 ARG 9 HG2 ARG 9 4.651 5.959 1.687 64 HG3 ARG 9 HG3 ARG 9 3.319 5.863 2.846 65 HD2 ARG 9 HD2 ARG 9 5.265 4.264 3.268 66 HD3 ARG 9 HD3 ARG 9 3.665 3.524 3.188 67 HE ARG 9 HE ARG 9 4.259 2.423 1.270 68 HH11 ARG 9 HH11 ARG 9 6.836 4.729 1.982 69 HH12 ARG 9 HH12 ARG 9 7.894 4.074 0.779 70 HH21 ARG 9 HH21 ARG 9 5.651 1.667 -0.350 71 HH22 ARG 9 HH22 ARG 9 7.220 2.358 -0.524 72 H LEU 10 H LEU 10 -0.072 5.551 -0.485 73 HA LEU 10 HA LEU 10 0.466 4.420 -3.011 74 HB2 LEU 10 HB2 LEU 10 -2.169 5.584 -2.041 75 HB3 LEU 10 HB3 LEU 10 -1.972 4.413 -3.335 76 HG LEU 10 HG LEU 10 -1.422 3.914 -0.383 77 HD11 LEU 10 HD11 LEU 10 -3.358 2.441 -0.466 78 HD12 LEU 10 HD12 LEU 10 -3.647 2.884 -2.152 79 HD13 LEU 10 HD13 LEU 10 -3.792 4.098 -0.877 80 HD21 LEU 10 HD21 LEU 10 -1.087 1.556 -0.991 81 HD22 LEU 10 HD22 LEU 10 0.120 2.590 -1.747 82 HD23 LEU 10 HD23 LEU 10 -1.227 1.963 -2.703 83 H LYS 11 H LYS 11 -0.853 7.594 -2.134 84 HA LYS 11 HA LYS 11 -0.978 8.543 -4.857 85 HB2 LYS 11 HB2 LYS 11 -1.913 10.592 -3.898 86 HB3 LYS 11 HB3 LYS 11 -2.706 9.174 -3.224 87 HG2 LYS 11 HG2 LYS 11 -1.281 9.388 -1.180 88 HG3 LYS 11 HG3 LYS 11 -0.587 10.865 -1.856 89 HD2 LYS 11 HD2 LYS 11 -2.900 11.871 -1.886 90 HD3 LYS 11 HD3 LYS 11 -3.502 10.418 -1.082 91 HE2 LYS 11 HE2 LYS 11 -1.959 10.872 0.816 92 HE3 LYS 11 HE3 LYS 11 -1.440 12.358 0.018 93 HZ1 LYS 11 HZ1 LYS 11 -4.175 11.735 0.977 94 HZ2 LYS 11 HZ2 LYS 11 -3.737 13.136 0.142 95 HZ3 LYS 11 HZ3 LYS 11 -3.091 12.833 1.673 96 H LYS 12 H LYS 12 1.242 8.836 -2.165 97 HA LYS 12 HA LYS 12 2.580 11.228 -3.052 98 HB2 LYS 12 HB2 LYS 12 2.449 10.536 -0.658 99 HB3 LYS 12 HB3 LYS 12 3.474 9.151 -1.026 100 HG2 LYS 12 HG2 LYS 12 5.295 10.767 -1.710 101 HG3 LYS 12 HG3 LYS 12 4.259 12.084 -1.150 102 HD2 LYS 12 HD2 LYS 12 5.291 9.793 0.543 103 HD3 LYS 12 HD3 LYS 12 5.929 11.435 0.555 104 HE2 LYS 12 HE2 LYS 12 3.749 12.267 1.398 105 HE3 LYS 12 HE3 LYS 12 3.117 10.619 1.382 106 HZ1 LYS 12 HZ1 LYS 12 3.822 11.286 3.594 107 HZ2 LYS 12 HZ2 LYS 12 5.398 11.570 3.044 108 HZ3 LYS 12 HZ3 LYS 12 4.766 10.002 3.030 109 H LEU 13 H LEU 13 3.233 7.765 -3.147 110 HA LEU 13 HA LEU 13 5.823 8.006 -4.386 111 HB2 LEU 13 HB2 LEU 13 5.141 6.178 -2.813 112 HB3 LEU 13 HB3 LEU 13 4.001 5.599 -4.012 113 HG LEU 13 HG LEU 13 5.907 5.031 -5.526 114 HD11 LEU 13 HD11 LEU 13 7.544 6.675 -4.753 115 HD12 LEU 13 HD12 LEU 13 8.201 5.041 -4.676 116 HD13 LEU 13 HD13 LEU 13 7.664 5.846 -3.198 117 HD21 LEU 13 HD21 LEU 13 6.009 3.807 -2.757 118 HD22 LEU 13 HD22 LEU 13 6.738 3.105 -4.203 119 HD23 LEU 13 HD23 LEU 13 4.990 3.299 -4.107 120 H GLY 14 H GLY 14 2.490 7.729 -5.397 121 HA2 GLY 14 HA2 GLY 14 1.443 7.803 -7.427 122 HA3 GLY 14 HA3 GLY 14 2.959 8.385 -8.100 123 H MET 15 H MET 15 1.970 5.283 -6.626 124 HA MET 15 HA MET 15 3.447 3.697 -8.498 125 HB2 MET 15 HB2 MET 15 2.587 1.809 -7.130 126 HB3 MET 15 HB3 MET 15 3.264 3.077 -6.116 127 HG2 MET 15 HG2 MET 15 0.951 3.902 -5.663 128 HG3 MET 15 HG3 MET 15 0.321 2.579 -6.621 129 HE1 MET 15 HE1 MET 15 2.643 1.791 -2.691 130 HE2 MET 15 HE2 MET 15 2.449 3.422 -3.342 131 HE3 MET 15 HE3 MET 15 3.446 2.239 -4.193 132 H SER 16 H SER 16 1.998 1.577 -9.164 133 HA SER 16 HA SER 16 0.109 2.390 -11.125 134 HB2 SER 16 HB2 SER 16 0.591 -0.386 -9.946 135 HB3 SER 16 HB3 SER 16 -0.228 -0.034 -11.469 136 HG SER 16 HG SER 16 1.646 0.196 -12.408 137 H GLU 17 H GLU 17 -2.201 2.160 -11.117 138 HA GLU 17 HA GLU 17 -3.652 2.448 -8.709 139 HB2 GLU 17 HB2 GLU 17 -4.632 1.419 -11.413 140 HB3 GLU 17 HB3 GLU 17 -5.680 1.900 -10.074 141 HG2 GLU 17 HG2 GLU 17 -4.711 4.186 -10.191 142 HG3 GLU 17 HG3 GLU 17 -3.782 3.687 -11.605 143 H GLU 18 H GLU 18 -2.914 -0.345 -10.732 144 HA GLU 18 HA GLU 18 -4.186 -2.408 -9.411 145 HB2 GLU 18 HB2 GLU 18 -3.041 -2.632 -11.585 146 HB3 GLU 18 HB3 GLU 18 -1.479 -2.423 -10.800 147 HG2 GLU 18 HG2 GLU 18 -1.934 -4.537 -9.500 148 HG3 GLU 18 HG3 GLU 18 -3.397 -4.756 -10.464 149 H CYS 19 H CYS 19 -1.048 -0.848 -8.711 150 HA CYS 19 HA CYS 19 -0.098 -2.648 -6.747 151 HB2 CYS 19 HB2 CYS 19 1.294 -0.762 -7.869 152 HB3 CYS 19 HB3 CYS 19 0.441 0.362 -6.834 153 H ARG 20 H ARG 20 -1.897 0.441 -6.494 154 HA ARG 20 HA ARG 20 -2.176 0.661 -3.729 155 HB2 ARG 20 HB2 ARG 20 -4.266 1.433 -5.816 156 HB3 ARG 20 HB3 ARG 20 -4.156 2.047 -4.167 157 HG2 ARG 20 HG2 ARG 20 -1.981 3.104 -4.772 158 HG3 ARG 20 HG3 ARG 20 -2.249 2.590 -6.450 159 HD2 ARG 20 HD2 ARG 20 -4.180 4.248 -4.822 160 HD3 ARG 20 HD3 ARG 20 -3.014 4.929 -5.961 161 HE ARG 20 HE ARG 20 -4.789 2.963 -7.121 162 HH11 ARG 20 HH11 ARG 20 -4.493 6.392 -6.317 163 HH12 ARG 20 HH12 ARG 20 -5.671 6.883 -7.489 164 HH21 ARG 20 HH21 ARG 20 -6.363 3.660 -8.631 165 HH22 ARG 20 HH22 ARG 20 -6.722 5.351 -8.788 166 H GLN 21 H GLN 21 -4.415 -0.795 -6.080 167 HA GLN 21 HA GLN 21 -6.463 -1.385 -4.288 168 HB2 GLN 21 HB2 GLN 21 -5.810 -2.535 -7.031 169 HB3 GLN 21 HB3 GLN 21 -7.282 -2.963 -6.160 170 HG2 GLN 21 HG2 GLN 21 -8.074 -0.698 -6.215 171 HG3 GLN 21 HG3 GLN 21 -6.536 -0.106 -6.841 172 HE21 GLN 21 HE21 GLN 21 -6.059 -0.400 -9.022 173 HE22 GLN 21 HE22 GLN 21 -7.240 -0.851 -10.184 174 H ARG 22 H ARG 22 -3.605 -3.200 -5.195 175 HA ARG 22 HA ARG 22 -4.167 -5.658 -3.870 176 HB2 ARG 22 HB2 ARG 22 -1.589 -4.325 -4.779 177 HB3 ARG 22 HB3 ARG 22 -1.580 -5.884 -3.981 178 HG2 ARG 22 HG2 ARG 22 -2.947 -6.831 -5.797 179 HG3 ARG 22 HG3 ARG 22 -2.979 -5.256 -6.596 180 HD2 ARG 22 HD2 ARG 22 -0.518 -5.344 -6.856 181 HD3 ARG 22 HD3 ARG 22 -0.488 -6.916 -6.045 182 HE ARG 22 HE ARG 22 -2.238 -7.188 -8.168 183 HH11 ARG 22 HH11 ARG 22 1.190 -6.436 -7.821 184 HH12 ARG 22 HH12 ARG 22 1.609 -7.109 -9.363 185 HH21 ARG 22 HH21 ARG 22 -1.672 -8.031 -10.193 186 HH22 ARG 22 HH22 ARG 22 -0.017 -8.014 -10.711 187 H LEU 23 H LEU 23 -2.558 -2.626 -2.932 188 HA LEU 23 HA LEU 23 -1.425 -3.646 -0.489 189 HB2 LEU 23 HB2 LEU 23 -1.655 -0.855 -1.635 190 HB3 LEU 23 HB3 LEU 23 -0.697 -1.260 -0.227 191 HG LEU 23 HG LEU 23 -0.256 -2.312 -3.033 192 HD11 LEU 23 HD11 LEU 23 1.824 -1.047 -2.999 193 HD12 LEU 23 HD12 LEU 23 1.371 -0.359 -1.438 194 HD13 LEU 23 HD13 LEU 23 0.401 -0.015 -2.872 195 HD21 LEU 23 HD21 LEU 23 1.790 -3.357 -2.190 196 HD22 LEU 23 HD22 LEU 23 0.355 -4.031 -1.430 197 HD23 LEU 23 HD23 LEU 23 1.366 -2.887 -0.542 198 H GLU 24 H GLU 24 -3.981 -1.261 -1.182 199 HA GLU 24 HA GLU 24 -4.987 -0.699 1.295 200 HB2 GLU 24 HB2 GLU 24 -6.561 -1.191 -1.272 201 HB3 GLU 24 HB3 GLU 24 -7.204 -0.381 0.155 202 HG2 GLU 24 HG2 GLU 24 -5.678 1.461 -0.118 203 HG3 GLU 24 HG3 GLU 24 -4.832 0.630 -1.429 204 H LYS 25 H LYS 25 -5.573 -3.524 -0.758 205 HA LYS 25 HA LYS 25 -7.638 -4.686 0.799 206 HB2 LYS 25 HB2 LYS 25 -7.039 -5.120 -1.679 207 HB3 LYS 25 HB3 LYS 25 -5.787 -6.197 -1.076 208 HG2 LYS 25 HG2 LYS 25 -7.762 -7.471 -1.698 209 HG3 LYS 25 HG3 LYS 25 -7.522 -7.566 0.053 210 HD2 LYS 25 HD2 LYS 25 -9.279 -5.972 0.459 211 HD3 LYS 25 HD3 LYS 25 -9.398 -5.571 -1.258 212 HE2 LYS 25 HE2 LYS 25 -11.259 -6.992 -0.567 213 HE3 LYS 25 HE3 LYS 25 -10.238 -7.833 -1.732 214 HZ1 LYS 25 HZ1 LYS 25 -10.175 -8.230 1.214 215 HZ2 LYS 25 HZ2 LYS 25 -9.237 -9.072 0.091 216 HZ3 LYS 25 HZ3 LYS 25 -10.917 -9.266 0.104 217 H MET 26 H MET 26 -4.173 -5.456 0.418 218 HA MET 26 HA MET 26 -3.897 -7.497 2.300 219 HB2 MET 26 HB2 MET 26 -1.966 -5.404 1.245 220 HB3 MET 26 HB3 MET 26 -1.443 -6.637 2.379 221 HG2 MET 26 HG2 MET 26 -2.719 -7.331 -0.264 222 HG3 MET 26 HG3 MET 26 -0.985 -7.056 -0.090 223 HE1 MET 26 HE1 MET 26 0.046 -9.944 2.374 224 HE2 MET 26 HE2 MET 26 -0.442 -8.324 2.872 225 HE3 MET 26 HE3 MET 26 0.598 -8.539 1.462 226 H CYS 27 H CYS 27 -3.880 -3.997 2.729 227 HA CYS 27 HA CYS 27 -3.037 -3.906 5.449 228 HB2 CYS 27 HB2 CYS 27 -2.839 -1.961 3.944 229 HB3 CYS 27 HB3 CYS 27 -4.591 -1.869 3.807 230 H LYS 28 H LYS 28 -6.174 -4.071 3.840 231 HA LYS 28 HA LYS 28 -7.732 -3.766 6.243 232 HB2 LYS 28 HB2 LYS 28 -8.478 -4.510 3.389 233 HB3 LYS 28 HB3 LYS 28 -9.664 -4.416 4.687 234 HG2 LYS 28 HG2 LYS 28 -9.171 -2.034 5.012 235 HG3 LYS 28 HG3 LYS 28 -7.920 -2.094 3.770 236 HD2 LYS 28 HD2 LYS 28 -10.876 -2.648 3.280 237 HD3 LYS 28 HD3 LYS 28 -10.098 -1.095 2.977 238 HE2 LYS 28 HE2 LYS 28 -8.634 -2.157 1.291 239 HE3 LYS 28 HE3 LYS 28 -9.404 -3.718 1.601 240 HZ1 LYS 28 HZ1 LYS 28 -10.316 -2.645 -0.360 241 HZ2 LYS 28 HZ2 LYS 28 -10.763 -1.291 0.550 242 HZ3 LYS 28 HZ3 LYS 28 -11.504 -2.781 0.836 243 H GLU 29 H GLU 29 -6.360 -6.481 4.482 244 HA GLU 29 HA GLU 29 -7.989 -8.521 5.712 245 HB2 GLU 29 HB2 GLU 29 -5.234 -8.875 4.455 246 HB3 GLU 29 HB3 GLU 29 -6.418 -10.139 4.762 247 HG2 GLU 29 HG2 GLU 29 -6.501 -7.972 2.670 248 HG3 GLU 29 HG3 GLU 29 -6.428 -9.703 2.430 249 H GLY 30 H GLY 30 -4.535 -7.636 6.047 250 HA2 GLY 30 HA2 GLY 30 -4.489 -8.711 8.804 251 HA3 GLY 30 HA3 GLY 30 -3.091 -8.354 7.800 252 H THR 31 H THR 31 -2.085 -6.503 8.098 253 HA THR 31 HA THR 31 -3.438 -4.189 9.310 254 HB THR 31 HB THR 31 -1.434 -3.712 10.725 255 HG1 THR 31 HG1 THR 31 -0.566 -6.158 9.627 256 HG21 THR 31 HG21 THR 31 -3.305 -4.946 11.788 257 HG22 THR 31 HG22 THR 31 -1.749 -5.441 12.455 258 HG23 THR 31 HG23 THR 31 -2.564 -6.473 11.281 259 H SER 32 H SER 32 -1.956 -2.244 9.154 260 HA SER 32 HA SER 32 -1.246 -1.634 6.529 261 HB2 SER 32 HB2 SER 32 -0.333 -0.269 9.099 262 HB3 SER 32 HB3 SER 32 -0.238 0.427 7.480 263 HG SER 32 HG SER 32 -2.533 0.181 7.382 264 H GLU 33 H GLU 33 0.601 -3.109 9.101 265 HA GLU 33 HA GLU 33 3.214 -2.406 8.314 266 HB2 GLU 33 HB2 GLU 33 2.322 -4.836 9.921 267 HB3 GLU 33 HB3 GLU 33 3.960 -4.178 9.856 268 HG2 GLU 33 HG2 GLU 33 3.129 -2.059 10.857 269 HG3 GLU 33 HG3 GLU 33 1.516 -2.764 10.977 270 H ASP 34 H ASP 34 1.158 -5.169 7.457 271 HA ASP 34 HA ASP 34 3.116 -6.746 6.117 272 HB2 ASP 34 HB2 ASP 34 0.107 -6.699 5.568 273 HB3 ASP 34 HB3 ASP 34 1.225 -8.006 5.177 274 H ALA 35 H ALA 35 0.660 -4.491 4.966 275 HA ALA 35 HA ALA 35 1.223 -4.911 2.192 276 HB1 ALA 35 HB1 ALA 35 -0.578 -3.292 1.829 277 HB2 ALA 35 HB2 ALA 35 -0.592 -2.921 3.554 278 HB3 ALA 35 HB3 ALA 35 -1.044 -4.528 3.000 279 H GLU 36 H GLU 36 2.194 -2.482 4.579 280 HA GLU 36 HA GLU 36 3.002 -0.456 2.734 281 HB2 GLU 36 HB2 GLU 36 4.186 0.594 4.578 282 HB3 GLU 36 HB3 GLU 36 2.642 -0.001 5.173 283 HG2 GLU 36 HG2 GLU 36 3.725 -1.914 6.204 284 HG3 GLU 36 HG3 GLU 36 5.286 -1.439 5.542 285 H ARG 37 H ARG 37 4.590 -3.300 4.097 286 HA ARG 37 HA ARG 37 7.202 -2.868 3.099 287 HB2 ARG 37 HB2 ARG 37 6.622 -4.547 4.850 288 HB3 ARG 37 HB3 ARG 37 5.767 -5.502 3.642 289 HG2 ARG 37 HG2 ARG 37 7.867 -5.892 2.435 290 HG3 ARG 37 HG3 ARG 37 8.732 -4.865 3.578 291 HD2 ARG 37 HD2 ARG 37 8.188 -6.454 5.398 292 HD3 ARG 37 HD3 ARG 37 7.361 -7.493 4.228 293 HE ARG 37 HE ARG 37 10.007 -6.957 3.364 294 HH11 ARG 37 HH11 ARG 37 8.292 -8.904 5.745 295 HH12 ARG 37 HH12 ARG 37 9.522 -10.120 5.811 296 HH21 ARG 37 HH21 ARG 37 11.607 -8.573 3.442 297 HH22 ARG 37 HH22 ARG 37 11.404 -9.931 4.503 298 H MET 38 H MET 38 4.338 -4.503 1.777 299 HA MET 38 HA MET 38 5.491 -5.321 -0.672 300 HB2 MET 38 HB2 MET 38 2.549 -4.803 -0.083 301 HB3 MET 38 HB3 MET 38 3.211 -5.844 -1.336 302 HG2 MET 38 HG2 MET 38 3.232 -6.315 1.653 303 HG3 MET 38 HG3 MET 38 2.390 -7.253 0.421 304 HE1 MET 38 HE1 MET 38 5.506 -8.901 -1.421 305 HE2 MET 38 HE2 MET 38 4.802 -7.327 -1.793 306 HE3 MET 38 HE3 MET 38 3.754 -8.705 -1.449 307 H ALA 39 H ALA 39 4.118 -2.307 0.454 308 HA ALA 39 HA ALA 39 3.815 -1.015 -2.082 309 HB1 ALA 39 HB1 ALA 39 4.225 0.210 0.671 310 HB2 ALA 39 HB2 ALA 39 2.669 -0.210 -0.044 311 HB3 ALA 39 HB3 ALA 39 3.654 1.060 -0.771 312 H ARG 40 H ARG 40 6.412 -1.336 0.269 313 HA ARG 40 HA ARG 40 8.284 0.370 -1.082 314 HB2 ARG 40 HB2 ARG 40 8.749 -1.723 1.082 315 HB3 ARG 40 HB3 ARG 40 9.921 -0.512 0.564 316 HG2 ARG 40 HG2 ARG 40 8.379 1.280 1.338 317 HG3 ARG 40 HG3 ARG 40 7.256 0.045 1.898 318 HD2 ARG 40 HD2 ARG 40 8.435 0.767 3.823 319 HD3 ARG 40 HD3 ARG 40 9.141 -0.795 3.397 320 HE ARG 40 HE ARG 40 10.688 1.107 2.125 321 HH11 ARG 40 HH11 ARG 40 9.895 0.343 5.484 322 HH12 ARG 40 HH12 ARG 40 11.391 0.972 6.097 323 HH21 ARG 40 HH21 ARG 40 12.616 1.941 2.954 324 HH22 ARG 40 HH22 ARG 40 12.932 1.880 4.656 325 H ASN 41 H ASN 41 7.288 -2.945 -1.307 326 HA ASN 41 HA ASN 41 9.576 -3.883 -2.861 327 HB2 ASN 41 HB2 ASN 41 6.933 -5.151 -2.031 328 HB3 ASN 41 HB3 ASN 41 7.979 -5.931 -3.208 329 HD21 ASN 41 HD21 ASN 41 9.208 -4.151 -0.379 330 HD22 ASN 41 HD22 ASN 41 9.791 -5.553 0.435 331 H CYS 42 H CYS 42 6.451 -2.491 -3.359 332 HA CYS 42 HA CYS 42 5.990 -3.069 -6.084 333 HB2 CYS 42 HB2 CYS 42 4.307 -2.146 -4.414 334 HB3 CYS 42 HB3 CYS 42 5.094 -0.581 -4.555 335 H GLU 43 H GLU 43 7.124 0.016 -4.628 336 HA GLU 43 HA GLU 43 9.015 0.375 -6.874 337 HB2 GLU 43 HB2 GLU 43 7.229 2.515 -5.646 338 HB3 GLU 43 HB3 GLU 43 8.522 2.851 -6.785 339 HG2 GLU 43 HG2 GLU 43 6.114 1.115 -7.421 340 HG3 GLU 43 HG3 GLU 43 6.190 2.845 -7.754 341 H SER 44 H SER 44 8.206 2.130 -3.826 342 HA SER 44 HA SER 44 10.911 1.820 -2.791 343 HB2 SER 44 HB2 SER 44 9.905 4.562 -3.698 344 HB3 SER 44 HB3 SER 44 11.407 4.258 -2.817 345 HG SER 44 HG SER 44 11.582 2.698 -4.844 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -4.280 4.534 13.736 2 H2 ALA 1 H2 ALA 1 -5.929 4.556 13.374 3 H3 ALA 1 H3 ALA 1 -5.101 6.007 13.647 4 HA ALA 1 HA ALA 1 -5.525 5.663 11.307 5 HB1 ALA 1 HB1 ALA 1 -3.243 6.083 10.505 6 HB2 ALA 1 HB2 ALA 1 -2.585 5.477 12.030 7 HB3 ALA 1 HB3 ALA 1 -3.553 6.949 12.011 8 HA PRO 2 HA PRO 2 -5.268 1.101 10.599 9 HB2 PRO 2 HB2 PRO 2 -7.308 1.589 8.496 10 HB3 PRO 2 HB3 PRO 2 -7.430 0.589 9.955 11 HG2 PRO 2 HG2 PRO 2 -8.803 2.904 9.705 12 HG3 PRO 2 HG3 PRO 2 -8.190 2.331 11.273 13 HD2 PRO 2 HD2 PRO 2 -7.005 4.425 9.444 14 HD3 PRO 2 HD3 PRO 2 -7.214 4.457 11.212 15 H CYS 3 H CYS 3 -6.061 2.941 7.635 16 HA CYS 3 HA CYS 3 -3.646 1.844 6.297 17 HB2 CYS 3 HB2 CYS 3 -6.392 2.368 5.061 18 HB3 CYS 3 HB3 CYS 3 -4.991 1.676 4.242 19 H GLU 4 H GLU 4 -4.532 4.589 7.636 20 HA GLU 4 HA GLU 4 -4.676 6.542 5.594 21 HB2 GLU 4 HB2 GLU 4 -3.739 6.815 8.481 22 HB3 GLU 4 HB3 GLU 4 -4.146 8.166 7.425 23 HG2 GLU 4 HG2 GLU 4 -6.488 7.247 7.251 24 HG3 GLU 4 HG3 GLU 4 -6.040 6.013 8.429 25 H ASP 5 H ASP 5 -1.913 5.377 7.522 26 HA ASP 5 HA ASP 5 0.126 6.987 6.427 27 HB2 ASP 5 HB2 ASP 5 0.430 4.168 7.563 28 HB3 ASP 5 HB3 ASP 5 1.713 5.366 7.398 29 H LEU 6 H LEU 6 -1.154 3.868 5.592 30 HA LEU 6 HA LEU 6 0.695 3.011 3.674 31 HB2 LEU 6 HB2 LEU 6 -0.794 1.524 4.938 32 HB3 LEU 6 HB3 LEU 6 -2.207 2.266 4.237 33 HG LEU 6 HG LEU 6 -1.484 -0.116 3.441 34 HD11 LEU 6 HD11 LEU 6 -2.361 0.204 1.198 35 HD12 LEU 6 HD12 LEU 6 -2.147 1.950 1.341 36 HD13 LEU 6 HD13 LEU 6 -3.297 1.117 2.385 37 HD21 LEU 6 HD21 LEU 6 0.097 -0.255 1.600 38 HD22 LEU 6 HD22 LEU 6 0.896 0.410 3.022 39 HD23 LEU 6 HD23 LEU 6 0.425 1.479 1.700 40 H LYS 7 H LYS 7 -2.525 4.619 3.308 41 HA LYS 7 HA LYS 7 -2.601 4.417 0.468 42 HB2 LYS 7 HB2 LYS 7 -4.252 6.077 2.405 43 HB3 LYS 7 HB3 LYS 7 -4.579 6.002 0.672 44 HG2 LYS 7 HG2 LYS 7 -5.002 3.586 0.826 45 HG3 LYS 7 HG3 LYS 7 -4.603 3.607 2.548 46 HD2 LYS 7 HD2 LYS 7 -7.048 3.591 2.222 47 HD3 LYS 7 HD3 LYS 7 -6.530 5.094 2.989 48 HE2 LYS 7 HE2 LYS 7 -6.733 6.285 0.854 49 HE3 LYS 7 HE3 LYS 7 -7.130 4.781 0.023 50 HZ1 LYS 7 HZ1 LYS 7 -8.765 6.152 2.088 51 HZ2 LYS 7 HZ2 LYS 7 -9.118 4.630 1.448 52 HZ3 LYS 7 HZ3 LYS 7 -9.123 5.985 0.441 53 H GLU 8 H GLU 8 -1.713 7.069 2.667 54 HA GLU 8 HA GLU 8 -1.401 9.107 0.748 55 HB2 GLU 8 HB2 GLU 8 0.002 8.694 3.415 56 HB3 GLU 8 HB3 GLU 8 0.129 10.174 2.466 57 HG2 GLU 8 HG2 GLU 8 -2.452 9.030 3.547 58 HG3 GLU 8 HG3 GLU 8 -1.519 10.303 4.330 59 H ARG 9 H ARG 9 0.863 6.720 2.027 60 HA ARG 9 HA ARG 9 3.233 7.514 0.766 61 HB2 ARG 9 HB2 ARG 9 2.888 5.855 2.688 62 HB3 ARG 9 HB3 ARG 9 2.451 4.663 1.470 63 HG2 ARG 9 HG2 ARG 9 4.700 4.902 0.447 64 HG3 ARG 9 HG3 ARG 9 5.114 6.108 1.667 65 HD2 ARG 9 HD2 ARG 9 4.562 3.164 2.090 66 HD3 ARG 9 HD3 ARG 9 6.075 4.036 2.370 67 HE ARG 9 HE ARG 9 4.028 5.157 3.977 68 HH11 ARG 9 HH11 ARG 9 6.063 2.295 3.844 69 HH12 ARG 9 HH12 ARG 9 5.951 2.007 5.550 70 HH21 ARG 9 HH21 ARG 9 3.838 4.699 6.197 71 HH22 ARG 9 HH22 ARG 9 4.701 3.354 6.873 72 H LEU 10 H LEU 10 0.514 5.517 -0.308 73 HA LEU 10 HA LEU 10 1.676 4.332 -2.604 74 HB2 LEU 10 HB2 LEU 10 -1.275 5.011 -2.224 75 HB3 LEU 10 HB3 LEU 10 -0.609 3.812 -3.322 76 HG LEU 10 HG LEU 10 -0.800 3.668 -0.303 77 HD11 LEU 10 HD11 LEU 10 -1.871 1.806 -2.410 78 HD12 LEU 10 HD12 LEU 10 -2.797 3.016 -1.521 79 HD13 LEU 10 HD13 LEU 10 -2.074 1.659 -0.666 80 HD21 LEU 10 HD21 LEU 10 0.397 1.518 -0.366 81 HD22 LEU 10 HD22 LEU 10 1.426 2.867 -0.829 82 HD23 LEU 10 HD23 LEU 10 0.786 1.784 -2.066 83 H LYS 11 H LYS 11 -0.156 7.314 -2.106 84 HA LYS 11 HA LYS 11 -0.196 8.076 -4.891 85 HB2 LYS 11 HB2 LYS 11 -1.014 9.581 -2.384 86 HB3 LYS 11 HB3 LYS 11 -1.303 10.150 -4.031 87 HG2 LYS 11 HG2 LYS 11 -2.743 8.221 -4.494 88 HG3 LYS 11 HG3 LYS 11 -2.400 7.537 -2.901 89 HD2 LYS 11 HD2 LYS 11 -3.767 10.220 -3.359 90 HD3 LYS 11 HD3 LYS 11 -4.629 8.707 -3.069 91 HE2 LYS 11 HE2 LYS 11 -3.728 8.521 -0.841 92 HE3 LYS 11 HE3 LYS 11 -2.584 9.837 -1.123 93 HZ1 LYS 11 HZ1 LYS 11 -4.523 10.503 0.198 94 HZ2 LYS 11 HZ2 LYS 11 -5.539 10.148 -1.105 95 HZ3 LYS 11 HZ3 LYS 11 -4.381 11.384 -1.236 96 H LYS 12 H LYS 12 1.870 8.722 -2.159 97 HA LYS 12 HA LYS 12 3.196 11.041 -3.237 98 HB2 LYS 12 HB2 LYS 12 2.924 10.279 -0.726 99 HB3 LYS 12 HB3 LYS 12 4.339 9.287 -1.024 100 HG2 LYS 12 HG2 LYS 12 4.254 12.301 -1.404 101 HG3 LYS 12 HG3 LYS 12 4.787 11.520 0.084 102 HD2 LYS 12 HD2 LYS 12 6.646 10.429 -1.193 103 HD3 LYS 12 HD3 LYS 12 6.098 11.254 -2.653 104 HE2 LYS 12 HE2 LYS 12 6.483 13.443 -1.425 105 HE3 LYS 12 HE3 LYS 12 7.273 12.505 -0.157 106 HZ1 LYS 12 HZ1 LYS 12 8.862 11.710 -1.800 107 HZ2 LYS 12 HZ2 LYS 12 8.863 13.397 -1.731 108 HZ3 LYS 12 HZ3 LYS 12 8.096 12.608 -3.010 109 H LEU 13 H LEU 13 3.916 7.554 -3.016 110 HA LEU 13 HA LEU 13 6.346 7.677 -4.547 111 HB2 LEU 13 HB2 LEU 13 4.500 5.309 -3.985 112 HB3 LEU 13 HB3 LEU 13 6.082 5.183 -4.739 113 HG LEU 13 HG LEU 13 5.535 6.058 -1.870 114 HD11 LEU 13 HD11 LEU 13 5.197 3.660 -2.191 115 HD12 LEU 13 HD12 LEU 13 6.625 3.966 -1.208 116 HD13 LEU 13 HD13 LEU 13 6.806 3.501 -2.903 117 HD21 LEU 13 HD21 LEU 13 8.218 5.762 -3.273 118 HD22 LEU 13 HD22 LEU 13 7.979 6.053 -1.547 119 HD23 LEU 13 HD23 LEU 13 7.477 7.268 -2.718 120 H GLY 14 H GLY 14 2.959 7.657 -5.287 121 HA2 GLY 14 HA2 GLY 14 1.794 7.975 -7.219 122 HA3 GLY 14 HA3 GLY 14 3.311 8.467 -7.964 123 H MET 15 H MET 15 2.078 5.428 -6.624 124 HA MET 15 HA MET 15 3.718 3.884 -8.431 125 HB2 MET 15 HB2 MET 15 3.165 2.040 -6.992 126 HB3 MET 15 HB3 MET 15 3.402 3.444 -5.959 127 HG2 MET 15 HG2 MET 15 0.771 3.668 -6.191 128 HG3 MET 15 HG3 MET 15 0.878 1.957 -6.593 129 HE1 MET 15 HE1 MET 15 2.979 1.061 -3.141 130 HE2 MET 15 HE2 MET 15 3.760 1.965 -4.438 131 HE3 MET 15 HE3 MET 15 2.805 0.527 -4.809 132 H SER 16 H SER 16 2.377 1.584 -8.921 133 HA SER 16 HA SER 16 0.504 2.098 -11.005 134 HB2 SER 16 HB2 SER 16 1.159 -0.497 -9.526 135 HB3 SER 16 HB3 SER 16 0.308 -0.379 -11.069 136 HG SER 16 HG SER 16 2.603 -0.852 -11.189 137 H GLU 17 H GLU 17 -1.710 2.127 -10.916 138 HA GLU 17 HA GLU 17 -3.201 2.447 -8.578 139 HB2 GLU 17 HB2 GLU 17 -4.221 1.495 -11.303 140 HB3 GLU 17 HB3 GLU 17 -5.251 1.995 -9.974 141 HG2 GLU 17 HG2 GLU 17 -5.221 3.856 -11.375 142 HG3 GLU 17 HG3 GLU 17 -4.066 4.269 -10.109 143 H GLU 18 H GLU 18 -2.374 -0.473 -10.365 144 HA GLU 18 HA GLU 18 -4.274 -2.244 -9.199 145 HB2 GLU 18 HB2 GLU 18 -3.255 -2.778 -11.366 146 HB3 GLU 18 HB3 GLU 18 -1.646 -2.787 -10.646 147 HG2 GLU 18 HG2 GLU 18 -2.312 -4.763 -9.255 148 HG3 GLU 18 HG3 GLU 18 -3.881 -4.770 -10.057 149 H CYS 19 H CYS 19 -0.888 -1.356 -8.523 150 HA CYS 19 HA CYS 19 -0.281 -3.113 -6.436 151 HB2 CYS 19 HB2 CYS 19 0.608 -0.246 -7.003 152 HB3 CYS 19 HB3 CYS 19 1.224 -1.152 -5.637 153 H ARG 20 H ARG 20 -1.775 0.139 -6.327 154 HA ARG 20 HA ARG 20 -2.044 0.443 -3.571 155 HB2 ARG 20 HB2 ARG 20 -3.993 1.413 -5.713 156 HB3 ARG 20 HB3 ARG 20 -3.888 2.008 -4.054 157 HG2 ARG 20 HG2 ARG 20 -1.524 2.738 -4.584 158 HG3 ARG 20 HG3 ARG 20 -1.879 2.370 -6.282 159 HD2 ARG 20 HD2 ARG 20 -3.511 4.213 -4.534 160 HD3 ARG 20 HD3 ARG 20 -2.256 4.750 -5.659 161 HE ARG 20 HE ARG 20 -4.303 3.150 -6.896 162 HH11 ARG 20 HH11 ARG 20 -3.471 6.416 -5.889 163 HH12 ARG 20 HH12 ARG 20 -4.565 7.159 -7.009 164 HH21 ARG 20 HH21 ARG 20 -5.753 4.169 -8.340 165 HH22 ARG 20 HH22 ARG 20 -5.845 5.898 -8.383 166 H GLN 21 H GLN 21 -4.405 -0.779 -5.912 167 HA GLN 21 HA GLN 21 -6.536 -1.224 -4.228 168 HB2 GLN 21 HB2 GLN 21 -5.752 -2.607 -6.831 169 HB3 GLN 21 HB3 GLN 21 -7.308 -2.873 -6.045 170 HG2 GLN 21 HG2 GLN 21 -7.936 -0.565 -6.330 171 HG3 GLN 21 HG3 GLN 21 -6.323 -0.139 -6.904 172 HE21 GLN 21 HE21 GLN 21 -5.748 -0.640 -9.030 173 HE22 GLN 21 HE22 GLN 21 -6.890 -1.150 -10.215 174 H ARG 22 H ARG 22 -3.754 -3.260 -4.887 175 HA ARG 22 HA ARG 22 -4.559 -5.615 -3.479 176 HB2 ARG 22 HB2 ARG 22 -1.841 -4.572 -4.384 177 HB3 ARG 22 HB3 ARG 22 -2.046 -6.132 -3.620 178 HG2 ARG 22 HG2 ARG 22 -3.396 -6.935 -5.457 179 HG3 ARG 22 HG3 ARG 22 -3.425 -5.332 -6.194 180 HD2 ARG 22 HD2 ARG 22 -1.020 -5.453 -6.630 181 HD3 ARG 22 HD3 ARG 22 -0.909 -6.997 -5.779 182 HE ARG 22 HE ARG 22 -2.770 -7.297 -7.827 183 HH11 ARG 22 HH11 ARG 22 0.694 -6.663 -7.571 184 HH12 ARG 22 HH12 ARG 22 1.055 -7.419 -9.089 185 HH21 ARG 22 HH21 ARG 22 -2.261 -8.296 -9.786 186 HH22 ARG 22 HH22 ARG 22 -0.621 -8.343 -10.342 187 H LEU 23 H LEU 23 -2.730 -2.670 -2.638 188 HA LEU 23 HA LEU 23 -1.566 -3.744 -0.222 189 HB2 LEU 23 HB2 LEU 23 -1.667 -0.920 -1.350 190 HB3 LEU 23 HB3 LEU 23 -0.637 -1.428 -0.030 191 HG LEU 23 HG LEU 23 -0.505 -2.601 -2.817 192 HD11 LEU 23 HD11 LEU 23 1.552 -1.346 -3.148 193 HD12 LEU 23 HD12 LEU 23 1.291 -0.519 -1.608 194 HD13 LEU 23 HD13 LEU 23 0.148 -0.303 -2.935 195 HD21 LEU 23 HD21 LEU 23 1.594 -3.618 -2.129 196 HD22 LEU 23 HD22 LEU 23 0.267 -4.167 -1.112 197 HD23 LEU 23 HD23 LEU 23 1.412 -2.968 -0.500 198 H GLU 24 H GLU 24 -4.003 -1.236 -0.905 199 HA GLU 24 HA GLU 24 -4.903 -0.672 1.664 200 HB2 GLU 24 HB2 GLU 24 -6.498 -0.728 -0.938 201 HB3 GLU 24 HB3 GLU 24 -7.023 0.063 0.550 202 HG2 GLU 24 HG2 GLU 24 -5.250 1.685 0.416 203 HG3 GLU 24 HG3 GLU 24 -4.458 0.807 -0.892 204 H LYS 25 H LYS 25 -5.583 -3.429 -0.437 205 HA LYS 25 HA LYS 25 -7.754 -4.504 1.084 206 HB2 LYS 25 HB2 LYS 25 -7.623 -5.098 -1.246 207 HB3 LYS 25 HB3 LYS 25 -5.945 -5.603 -1.099 208 HG2 LYS 25 HG2 LYS 25 -6.703 -7.510 0.349 209 HG3 LYS 25 HG3 LYS 25 -8.374 -7.036 0.019 210 HD2 LYS 25 HD2 LYS 25 -8.066 -7.476 -2.369 211 HD3 LYS 25 HD3 LYS 25 -6.344 -7.799 -2.116 212 HE2 LYS 25 HE2 LYS 25 -7.561 -9.896 -2.345 213 HE3 LYS 25 HE3 LYS 25 -6.932 -9.737 -0.706 214 HZ1 LYS 25 HZ1 LYS 25 -9.176 -10.563 -0.662 215 HZ2 LYS 25 HZ2 LYS 25 -9.737 -9.251 -1.563 216 HZ3 LYS 25 HZ3 LYS 25 -9.152 -9.007 0.004 217 H MET 26 H MET 26 -4.256 -5.106 0.852 218 HA MET 26 HA MET 26 -4.122 -7.269 2.683 219 HB2 MET 26 HB2 MET 26 -2.002 -5.335 1.666 220 HB3 MET 26 HB3 MET 26 -1.633 -6.685 2.740 221 HG2 MET 26 HG2 MET 26 -2.826 -6.894 -0.039 222 HG3 MET 26 HG3 MET 26 -1.172 -7.276 0.410 223 HE1 MET 26 HE1 MET 26 -1.860 -10.417 2.797 224 HE2 MET 26 HE2 MET 26 -1.833 -8.731 3.314 225 HE3 MET 26 HE3 MET 26 -0.612 -9.332 2.189 226 H CYS 27 H CYS 27 -4.111 -3.811 3.084 227 HA CYS 27 HA CYS 27 -3.215 -3.684 5.798 228 HB2 CYS 27 HB2 CYS 27 -3.041 -1.717 4.407 229 HB3 CYS 27 HB3 CYS 27 -4.760 -1.746 4.035 230 H LYS 28 H LYS 28 -6.434 -3.722 4.249 231 HA LYS 28 HA LYS 28 -7.864 -3.297 6.740 232 HB2 LYS 28 HB2 LYS 28 -8.882 -3.897 3.925 233 HB3 LYS 28 HB3 LYS 28 -9.914 -3.473 5.293 234 HG2 LYS 28 HG2 LYS 28 -8.891 -1.269 5.449 235 HG3 LYS 28 HG3 LYS 28 -7.735 -1.675 4.176 236 HD2 LYS 28 HD2 LYS 28 -9.714 -1.975 2.609 237 HD3 LYS 28 HD3 LYS 28 -10.750 -1.341 3.892 238 HE2 LYS 28 HE2 LYS 28 -9.461 0.773 3.866 239 HE3 LYS 28 HE3 LYS 28 -8.436 0.124 2.580 240 HZ1 LYS 28 HZ1 LYS 28 -11.366 0.613 2.387 241 HZ2 LYS 28 HZ2 LYS 28 -10.394 -0.032 1.166 242 HZ3 LYS 28 HZ3 LYS 28 -10.151 1.557 1.683 243 H GLU 29 H GLU 29 -7.289 -5.972 4.530 244 HA GLU 29 HA GLU 29 -8.879 -7.859 6.166 245 HB2 GLU 29 HB2 GLU 29 -7.811 -8.148 3.312 246 HB3 GLU 29 HB3 GLU 29 -8.754 -9.364 4.173 247 HG2 GLU 29 HG2 GLU 29 -10.637 -7.718 4.334 248 HG3 GLU 29 HG3 GLU 29 -9.696 -6.603 3.345 249 H GLY 30 H GLY 30 -5.895 -6.787 6.393 250 HA2 GLY 30 HA2 GLY 30 -4.925 -9.248 7.596 251 HA3 GLY 30 HA3 GLY 30 -3.961 -8.683 6.230 252 H THR 31 H THR 31 -2.342 -7.292 6.719 253 HA THR 31 HA THR 31 -2.466 -5.700 9.218 254 HB THR 31 HB THR 31 0.041 -6.173 9.441 255 HG1 THR 31 HG1 THR 31 0.573 -8.249 8.321 256 HG21 THR 31 HG21 THR 31 -1.620 -7.370 10.877 257 HG22 THR 31 HG22 THR 31 -0.222 -8.375 10.492 258 HG23 THR 31 HG23 THR 31 -1.750 -8.632 9.648 259 H SER 32 H SER 32 -1.668 -3.680 9.080 260 HA SER 32 HA SER 32 -1.438 -2.433 6.521 261 HB2 SER 32 HB2 SER 32 -0.903 -1.154 9.237 262 HB3 SER 32 HB3 SER 32 -1.454 -0.362 7.754 263 HG SER 32 HG SER 32 -3.430 -0.907 8.219 264 H GLU 33 H GLU 33 0.793 -3.433 9.056 265 HA GLU 33 HA GLU 33 3.116 -2.022 8.215 266 HB2 GLU 33 HB2 GLU 33 2.843 -4.569 9.880 267 HB3 GLU 33 HB3 GLU 33 4.353 -3.677 9.663 268 HG2 GLU 33 HG2 GLU 33 3.285 -1.667 10.697 269 HG3 GLU 33 HG3 GLU 33 1.829 -2.621 10.991 270 H ASP 34 H ASP 34 1.798 -5.226 7.412 271 HA ASP 34 HA ASP 34 4.023 -5.920 5.681 272 HB2 ASP 34 HB2 ASP 34 1.350 -7.272 6.226 273 HB3 ASP 34 HB3 ASP 34 2.414 -7.842 4.938 274 H ALA 35 H ALA 35 0.928 -4.351 5.318 275 HA ALA 35 HA ALA 35 0.670 -4.478 2.486 276 HB1 ALA 35 HB1 ALA 35 -0.923 -2.614 2.739 277 HB2 ALA 35 HB2 ALA 35 -0.394 -2.369 4.407 278 HB3 ALA 35 HB3 ALA 35 -1.216 -3.864 3.948 279 H GLU 36 H GLU 36 2.113 -2.026 4.656 280 HA GLU 36 HA GLU 36 3.038 -0.331 2.529 281 HB2 GLU 36 HB2 GLU 36 4.115 0.985 4.253 282 HB3 GLU 36 HB3 GLU 36 2.500 0.532 4.789 283 HG2 GLU 36 HG2 GLU 36 3.499 -1.281 6.175 284 HG3 GLU 36 HG3 GLU 36 5.103 -0.743 5.681 285 H ARG 37 H ARG 37 4.410 -2.973 4.368 286 HA ARG 37 HA ARG 37 7.090 -2.934 3.493 287 HB2 ARG 37 HB2 ARG 37 6.369 -4.384 5.310 288 HB3 ARG 37 HB3 ARG 37 5.222 -5.203 4.260 289 HG2 ARG 37 HG2 ARG 37 7.187 -6.112 2.947 290 HG3 ARG 37 HG3 ARG 37 8.252 -5.429 4.181 291 HD2 ARG 37 HD2 ARG 37 7.296 -6.848 5.886 292 HD3 ARG 37 HD3 ARG 37 6.013 -7.378 4.790 293 HE ARG 37 HE ARG 37 8.598 -8.012 3.766 294 HH11 ARG 37 HH11 ARG 37 6.200 -9.121 6.112 295 HH12 ARG 37 HH12 ARG 37 6.731 -10.770 6.035 296 HH21 ARG 37 HH21 ARG 37 9.213 -10.176 3.651 297 HH22 ARG 37 HH22 ARG 37 8.428 -11.352 4.648 298 H MET 38 H MET 38 4.122 -4.251 1.974 299 HA MET 38 HA MET 38 5.541 -5.253 -0.347 300 HB2 MET 38 HB2 MET 38 2.571 -4.941 0.234 301 HB3 MET 38 HB3 MET 38 3.205 -5.635 -1.251 302 HG2 MET 38 HG2 MET 38 3.642 -6.766 1.523 303 HG3 MET 38 HG3 MET 38 2.447 -7.340 0.369 304 HE1 MET 38 HE1 MET 38 5.874 -7.853 1.829 305 HE2 MET 38 HE2 MET 38 6.468 -6.735 0.600 306 HE3 MET 38 HE3 MET 38 6.885 -8.446 0.512 307 H ALA 39 H ALA 39 3.998 -2.278 0.611 308 HA ALA 39 HA ALA 39 3.343 -1.131 -1.855 309 HB1 ALA 39 HB1 ALA 39 3.258 1.016 -0.663 310 HB2 ALA 39 HB2 ALA 39 4.130 0.308 0.702 311 HB3 ALA 39 HB3 ALA 39 2.510 -0.265 0.295 312 H ARG 40 H ARG 40 6.312 -0.901 0.060 313 HA ARG 40 HA ARG 40 7.719 0.903 -1.534 314 HB2 ARG 40 HB2 ARG 40 9.792 -0.058 -0.485 315 HB3 ARG 40 HB3 ARG 40 8.539 0.398 0.663 316 HG2 ARG 40 HG2 ARG 40 7.882 -1.929 0.941 317 HG3 ARG 40 HG3 ARG 40 9.070 -2.440 -0.261 318 HD2 ARG 40 HD2 ARG 40 9.764 -1.035 2.341 319 HD3 ARG 40 HD3 ARG 40 9.779 -2.787 2.119 320 HE ARG 40 HE ARG 40 11.488 -0.955 0.540 321 HH11 ARG 40 HH11 ARG 40 11.171 -3.891 2.475 322 HH12 ARG 40 HH12 ARG 40 12.815 -4.380 2.205 323 HH21 ARG 40 HH21 ARG 40 13.616 -1.625 0.203 324 HH22 ARG 40 HH22 ARG 40 14.188 -3.096 0.925 325 H ASN 41 H ASN 41 7.344 -2.638 -1.878 326 HA ASN 41 HA ASN 41 9.460 -3.041 -3.721 327 HB2 ASN 41 HB2 ASN 41 6.998 -4.763 -3.212 328 HB3 ASN 41 HB3 ASN 41 8.374 -5.264 -4.192 329 HD21 ASN 41 HD21 ASN 41 7.117 -5.105 -1.034 330 HD22 ASN 41 HD22 ASN 41 8.534 -5.616 -0.198 331 H CYS 42 H CYS 42 6.237 -1.882 -4.242 332 HA CYS 42 HA CYS 42 5.902 -2.562 -6.998 333 HB2 CYS 42 HB2 CYS 42 4.016 -1.936 -5.546 334 HB3 CYS 42 HB3 CYS 42 4.642 -0.310 -5.393 335 H GLU 43 H GLU 43 7.402 0.130 -5.322 336 HA GLU 43 HA GLU 43 7.840 1.629 -7.825 337 HB2 GLU 43 HB2 GLU 43 6.693 2.815 -5.972 338 HB3 GLU 43 HB3 GLU 43 8.053 2.490 -4.904 339 HG2 GLU 43 HG2 GLU 43 8.019 4.821 -5.772 340 HG3 GLU 43 HG3 GLU 43 9.496 3.950 -6.184 341 H SER 44 H SER 44 9.523 0.520 -4.916 342 HA SER 44 HA SER 44 11.923 -0.186 -6.353 343 HB2 SER 44 HB2 SER 44 12.066 2.029 -4.256 344 HB3 SER 44 HB3 SER 44 13.469 1.164 -4.883 345 HG SER 44 HG SER 44 11.777 2.995 -6.166 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -4.752 4.189 14.390 2 H2 ALA 1 H2 ALA 1 -4.058 5.731 14.496 3 H3 ALA 1 H3 ALA 1 -3.098 4.397 14.099 4 HA ALA 1 HA ALA 1 -5.313 5.454 12.454 5 HB1 ALA 1 HB1 ALA 1 -3.430 7.015 12.530 6 HB2 ALA 1 HB2 ALA 1 -3.515 6.253 10.941 7 HB3 ALA 1 HB3 ALA 1 -2.308 5.720 12.114 8 HA PRO 2 HA PRO 2 -4.971 1.169 10.936 9 HB2 PRO 2 HB2 PRO 2 -6.911 1.299 8.969 10 HB3 PRO 2 HB3 PRO 2 -7.273 1.129 10.696 11 HG2 PRO 2 HG2 PRO 2 -7.372 3.583 8.990 12 HG3 PRO 2 HG3 PRO 2 -8.480 3.062 10.279 13 HD2 PRO 2 HD2 PRO 2 -6.543 4.968 10.638 14 HD3 PRO 2 HD3 PRO 2 -7.144 3.939 11.954 15 H CYS 3 H CYS 3 -5.628 3.373 8.164 16 HA CYS 3 HA CYS 3 -3.131 2.542 6.827 17 HB2 CYS 3 HB2 CYS 3 -5.877 2.538 5.481 18 HB3 CYS 3 HB3 CYS 3 -4.347 2.027 4.769 19 H GLU 4 H GLU 4 -4.078 5.029 8.203 20 HA GLU 4 HA GLU 4 -4.974 6.979 6.368 21 HB2 GLU 4 HB2 GLU 4 -3.318 7.504 8.873 22 HB3 GLU 4 HB3 GLU 4 -4.369 8.646 8.053 23 HG2 GLU 4 HG2 GLU 4 -5.234 6.174 9.569 24 HG3 GLU 4 HG3 GLU 4 -5.393 7.844 10.102 25 H ASP 5 H ASP 5 -1.681 6.123 7.468 26 HA ASP 5 HA ASP 5 -0.347 8.014 5.732 27 HB2 ASP 5 HB2 ASP 5 1.740 7.023 6.501 28 HB3 ASP 5 HB3 ASP 5 0.675 7.183 7.888 29 H LEU 6 H LEU 6 -1.336 4.652 5.579 30 HA LEU 6 HA LEU 6 0.310 3.723 3.488 31 HB2 LEU 6 HB2 LEU 6 -0.983 2.334 5.166 32 HB3 LEU 6 HB3 LEU 6 -2.444 2.686 4.278 33 HG LEU 6 HG LEU 6 -1.351 0.370 3.931 34 HD11 LEU 6 HD11 LEU 6 -1.976 0.211 1.581 35 HD12 LEU 6 HD12 LEU 6 -1.981 1.970 1.439 36 HD13 LEU 6 HD13 LEU 6 -3.148 1.167 2.490 37 HD21 LEU 6 HD21 LEU 6 0.989 1.126 3.689 38 HD22 LEU 6 HD22 LEU 6 0.583 1.923 2.168 39 HD23 LEU 6 HD23 LEU 6 0.467 0.168 2.304 40 H LYS 7 H LYS 7 -3.009 5.024 3.423 41 HA LYS 7 HA LYS 7 -3.440 4.772 0.636 42 HB2 LYS 7 HB2 LYS 7 -5.409 6.188 0.976 43 HB3 LYS 7 HB3 LYS 7 -5.284 4.975 2.241 44 HG2 LYS 7 HG2 LYS 7 -4.188 6.821 3.665 45 HG3 LYS 7 HG3 LYS 7 -4.792 7.948 2.453 46 HD2 LYS 7 HD2 LYS 7 -6.473 6.058 4.150 47 HD3 LYS 7 HD3 LYS 7 -6.334 7.801 4.366 48 HE2 LYS 7 HE2 LYS 7 -7.371 8.096 2.090 49 HE3 LYS 7 HE3 LYS 7 -7.625 6.351 2.032 50 HZ1 LYS 7 HZ1 LYS 7 -9.012 6.509 4.002 51 HZ2 LYS 7 HZ2 LYS 7 -9.606 7.540 2.797 52 HZ3 LYS 7 HZ3 LYS 7 -8.742 8.174 4.103 53 H GLU 8 H GLU 8 -1.922 7.250 2.588 54 HA GLU 8 HA GLU 8 -1.583 9.180 0.491 55 HB2 GLU 8 HB2 GLU 8 -0.029 8.858 3.097 56 HB3 GLU 8 HB3 GLU 8 0.024 10.269 2.044 57 HG2 GLU 8 HG2 GLU 8 -2.383 9.265 3.570 58 HG3 GLU 8 HG3 GLU 8 -1.407 10.673 3.973 59 H ARG 9 H ARG 9 0.339 6.420 1.683 60 HA ARG 9 HA ARG 9 2.694 6.859 0.161 61 HB2 ARG 9 HB2 ARG 9 1.452 4.192 0.980 62 HB3 ARG 9 HB3 ARG 9 3.089 4.401 0.366 63 HG2 ARG 9 HG2 ARG 9 3.697 5.704 2.342 64 HG3 ARG 9 HG3 ARG 9 2.045 5.585 2.945 65 HD2 ARG 9 HD2 ARG 9 2.264 3.142 3.126 66 HD3 ARG 9 HD3 ARG 9 3.906 3.231 2.480 67 HE ARG 9 HE ARG 9 3.246 4.683 4.948 68 HH11 ARG 9 HH11 ARG 9 4.965 2.018 3.422 69 HH12 ARG 9 HH12 ARG 9 5.953 1.707 4.814 70 HH21 ARG 9 HH21 ARG 9 4.523 4.265 6.753 71 HH22 ARG 9 HH22 ARG 9 5.702 2.987 6.711 72 H LEU 10 H LEU 10 -0.419 5.421 -0.593 73 HA LEU 10 HA LEU 10 0.221 4.112 -3.007 74 HB2 LEU 10 HB2 LEU 10 -2.459 5.359 -2.260 75 HB3 LEU 10 HB3 LEU 10 -2.192 4.066 -3.417 76 HG LEU 10 HG LEU 10 -1.986 3.928 -0.403 77 HD11 LEU 10 HD11 LEU 10 -3.748 2.407 -2.328 78 HD12 LEU 10 HD12 LEU 10 -4.243 3.715 -1.253 79 HD13 LEU 10 HD13 LEU 10 -3.694 2.183 -0.578 80 HD21 LEU 10 HD21 LEU 10 -1.291 1.564 -0.611 81 HD22 LEU 10 HD22 LEU 10 -0.076 2.692 -1.204 82 HD23 LEU 10 HD23 LEU 10 -1.077 1.794 -2.345 83 H LYS 11 H LYS 11 -1.084 7.353 -2.368 84 HA LYS 11 HA LYS 11 -1.124 8.079 -5.183 85 HB2 LYS 11 HB2 LYS 11 -1.915 9.644 -2.709 86 HB3 LYS 11 HB3 LYS 11 -2.203 10.158 -4.374 87 HG2 LYS 11 HG2 LYS 11 -3.622 8.163 -4.753 88 HG3 LYS 11 HG3 LYS 11 -3.346 7.645 -3.091 89 HD2 LYS 11 HD2 LYS 11 -4.749 10.207 -3.939 90 HD3 LYS 11 HD3 LYS 11 -5.547 8.743 -3.361 91 HE2 LYS 11 HE2 LYS 11 -4.459 8.993 -1.170 92 HE3 LYS 11 HE3 LYS 11 -3.606 10.431 -1.742 93 HZ1 LYS 11 HZ1 LYS 11 -5.514 11.103 -0.505 94 HZ2 LYS 11 HZ2 LYS 11 -6.531 10.105 -1.406 95 HZ3 LYS 11 HZ3 LYS 11 -5.814 11.452 -2.133 96 H LYS 12 H LYS 12 0.570 9.313 -2.277 97 HA LYS 12 HA LYS 12 1.864 11.493 -3.594 98 HB2 LYS 12 HB2 LYS 12 1.335 11.522 -1.190 99 HB3 LYS 12 HB3 LYS 12 2.413 10.170 -0.890 100 HG2 LYS 12 HG2 LYS 12 3.607 12.672 -2.062 101 HG3 LYS 12 HG3 LYS 12 3.117 12.713 -0.369 102 HD2 LYS 12 HD2 LYS 12 4.591 10.818 0.141 103 HD3 LYS 12 HD3 LYS 12 5.012 10.656 -1.567 104 HE2 LYS 12 HE2 LYS 12 6.028 12.931 -1.488 105 HE3 LYS 12 HE3 LYS 12 5.684 12.998 0.242 106 HZ1 LYS 12 HZ1 LYS 12 7.960 12.319 -0.192 107 HZ2 LYS 12 HZ2 LYS 12 7.430 10.999 -1.103 108 HZ3 LYS 12 HZ3 LYS 12 7.108 11.064 0.557 109 H LEU 13 H LEU 13 2.976 8.259 -2.600 110 HA LEU 13 HA LEU 13 5.690 8.607 -3.489 111 HB2 LEU 13 HB2 LEU 13 4.897 7.017 -1.674 112 HB3 LEU 13 HB3 LEU 13 4.170 6.036 -2.929 113 HG LEU 13 HG LEU 13 6.478 5.683 -3.890 114 HD11 LEU 13 HD11 LEU 13 7.402 6.995 -1.321 115 HD12 LEU 13 HD12 LEU 13 7.614 7.623 -2.957 116 HD13 LEU 13 HD13 LEU 13 8.430 6.140 -2.475 117 HD21 LEU 13 HD21 LEU 13 5.392 3.970 -2.518 118 HD22 LEU 13 HD22 LEU 13 6.026 4.709 -1.046 119 HD23 LEU 13 HD23 LEU 13 7.131 3.989 -2.221 120 H GLY 14 H GLY 14 2.679 7.698 -4.963 121 HA2 GLY 14 HA2 GLY 14 2.038 7.551 -7.144 122 HA3 GLY 14 HA3 GLY 14 3.615 8.174 -7.582 123 H MET 15 H MET 15 2.313 5.173 -6.186 124 HA MET 15 HA MET 15 4.153 3.509 -7.725 125 HB2 MET 15 HB2 MET 15 3.284 1.657 -6.361 126 HB3 MET 15 HB3 MET 15 3.755 3.006 -5.341 127 HG2 MET 15 HG2 MET 15 1.329 3.657 -5.202 128 HG3 MET 15 HG3 MET 15 0.940 2.192 -6.085 129 HE1 MET 15 HE1 MET 15 2.990 2.027 -1.929 130 HE2 MET 15 HE2 MET 15 2.670 3.553 -2.752 131 HE3 MET 15 HE3 MET 15 3.868 2.432 -3.405 132 H SER 16 H SER 16 2.759 1.258 -8.361 133 HA SER 16 HA SER 16 1.195 1.941 -10.644 134 HB2 SER 16 HB2 SER 16 1.512 -0.726 -9.207 135 HB3 SER 16 HB3 SER 16 0.781 -0.522 -10.802 136 HG SER 16 HG SER 16 3.172 0.680 -10.771 137 H GLU 17 H GLU 17 -1.046 1.716 -10.992 138 HA GLU 17 HA GLU 17 -2.926 2.255 -9.020 139 HB2 GLU 17 HB2 GLU 17 -3.404 2.565 -11.402 140 HB3 GLU 17 HB3 GLU 17 -3.311 0.831 -11.687 141 HG2 GLU 17 HG2 GLU 17 -5.306 0.488 -10.272 142 HG3 GLU 17 HG3 GLU 17 -5.403 2.221 -9.972 143 H GLU 18 H GLU 18 -1.718 -0.822 -10.218 144 HA GLU 18 HA GLU 18 -3.583 -2.583 -9.006 145 HB2 GLU 18 HB2 GLU 18 -2.174 -3.276 -10.936 146 HB3 GLU 18 HB3 GLU 18 -0.722 -3.102 -9.953 147 HG2 GLU 18 HG2 GLU 18 -1.698 -4.874 -8.399 148 HG3 GLU 18 HG3 GLU 18 -2.939 -5.149 -9.619 149 H CYS 19 H CYS 19 -0.385 -1.302 -8.108 150 HA CYS 19 HA CYS 19 0.055 -2.810 -5.787 151 HB2 CYS 19 HB2 CYS 19 1.021 -0.033 -6.580 152 HB3 CYS 19 HB3 CYS 19 1.604 -0.912 -5.185 153 H ARG 20 H ARG 20 -1.369 0.457 -6.244 154 HA ARG 20 HA ARG 20 -1.905 1.186 -3.614 155 HB2 ARG 20 HB2 ARG 20 -3.783 1.729 -5.975 156 HB3 ARG 20 HB3 ARG 20 -3.697 2.639 -4.473 157 HG2 ARG 20 HG2 ARG 20 -1.421 3.413 -5.123 158 HG3 ARG 20 HG3 ARG 20 -1.627 2.587 -6.673 159 HD2 ARG 20 HD2 ARG 20 -3.473 4.728 -5.585 160 HD3 ARG 20 HD3 ARG 20 -2.222 5.006 -6.801 161 HE ARG 20 HE ARG 20 -4.192 2.983 -7.466 162 HH11 ARG 20 HH11 ARG 20 -3.416 6.406 -7.795 163 HH12 ARG 20 HH12 ARG 20 -4.478 6.644 -9.144 164 HH21 ARG 20 HH21 ARG 20 -5.662 3.356 -9.156 165 HH22 ARG 20 HH22 ARG 20 -5.750 4.912 -9.912 166 H GLN 21 H GLN 21 -4.049 -0.441 -5.916 167 HA GLN 21 HA GLN 21 -6.327 -0.563 -4.326 168 HB2 GLN 21 HB2 GLN 21 -5.450 -2.241 -6.709 169 HB3 GLN 21 HB3 GLN 21 -7.054 -2.382 -5.997 170 HG2 GLN 21 HG2 GLN 21 -7.608 -0.127 -6.602 171 HG3 GLN 21 HG3 GLN 21 -5.952 0.217 -7.088 172 HE21 GLN 21 HE21 GLN 21 -5.552 -2.273 -8.561 173 HE22 GLN 21 HE22 GLN 21 -6.496 -2.136 -9.998 174 H ARG 22 H ARG 22 -3.735 -2.902 -4.907 175 HA ARG 22 HA ARG 22 -4.690 -5.078 -3.371 176 HB2 ARG 22 HB2 ARG 22 -1.926 -4.234 -4.320 177 HB3 ARG 22 HB3 ARG 22 -2.142 -5.669 -3.333 178 HG2 ARG 22 HG2 ARG 22 -3.587 -6.666 -5.041 179 HG3 ARG 22 HG3 ARG 22 -3.438 -5.214 -6.030 180 HD2 ARG 22 HD2 ARG 22 -1.082 -5.614 -6.392 181 HD3 ARG 22 HD3 ARG 22 -1.065 -6.931 -5.213 182 HE ARG 22 HE ARG 22 -2.841 -7.258 -7.499 183 HH11 ARG 22 HH11 ARG 22 0.306 -8.019 -6.127 184 HH12 ARG 22 HH12 ARG 22 0.570 -9.380 -7.175 185 HH21 ARG 22 HH21 ARG 22 -2.513 -9.061 -8.839 186 HH22 ARG 22 HH22 ARG 22 -1.037 -9.971 -8.719 187 H LEU 23 H LEU 23 -2.649 -2.283 -2.574 188 HA LEU 23 HA LEU 23 -1.585 -3.359 -0.157 189 HB2 LEU 23 HB2 LEU 23 -1.579 -0.624 -1.469 190 HB3 LEU 23 HB3 LEU 23 -0.826 -0.866 0.085 191 HG LEU 23 HG LEU 23 -0.059 -2.280 -2.487 192 HD11 LEU 23 HD11 LEU 23 2.028 -1.018 -2.328 193 HD12 LEU 23 HD12 LEU 23 1.413 -0.165 -0.908 194 HD13 LEU 23 HD13 LEU 23 0.626 0.038 -2.476 195 HD21 LEU 23 HD21 LEU 23 0.268 -3.795 -0.647 196 HD22 LEU 23 HD22 LEU 23 1.125 -2.563 0.282 197 HD23 LEU 23 HD23 LEU 23 1.833 -3.207 -1.201 198 H GLU 24 H GLU 24 -4.100 -0.919 -0.821 199 HA GLU 24 HA GLU 24 -4.655 -0.419 1.933 200 HB2 GLU 24 HB2 GLU 24 -6.619 0.834 1.147 201 HB3 GLU 24 HB3 GLU 24 -5.177 1.254 0.237 202 HG2 GLU 24 HG2 GLU 24 -6.491 1.038 -1.593 203 HG3 GLU 24 HG3 GLU 24 -6.244 -0.688 -1.389 204 H LYS 25 H LYS 25 -5.801 -2.798 -0.408 205 HA LYS 25 HA LYS 25 -8.034 -3.796 1.054 206 HB2 LYS 25 HB2 LYS 25 -7.450 -4.056 -1.459 207 HB3 LYS 25 HB3 LYS 25 -6.333 -5.318 -0.986 208 HG2 LYS 25 HG2 LYS 25 -9.320 -5.413 -0.454 209 HG3 LYS 25 HG3 LYS 25 -8.554 -6.100 -1.882 210 HD2 LYS 25 HD2 LYS 25 -7.210 -7.598 -0.393 211 HD3 LYS 25 HD3 LYS 25 -8.081 -6.947 0.996 212 HE2 LYS 25 HE2 LYS 25 -10.211 -7.757 -0.049 213 HE3 LYS 25 HE3 LYS 25 -9.245 -8.533 -1.303 214 HZ1 LYS 25 HZ1 LYS 25 -9.769 -10.137 0.357 215 HZ2 LYS 25 HZ2 LYS 25 -9.211 -9.140 1.601 216 HZ3 LYS 25 HZ3 LYS 25 -8.115 -9.795 0.491 217 H MET 26 H MET 26 -4.592 -4.606 0.904 218 HA MET 26 HA MET 26 -4.689 -6.907 2.655 219 HB2 MET 26 HB2 MET 26 -2.337 -5.265 1.595 220 HB3 MET 26 HB3 MET 26 -2.175 -6.764 2.503 221 HG2 MET 26 HG2 MET 26 -3.250 -8.010 0.717 222 HG3 MET 26 HG3 MET 26 -3.593 -6.530 -0.158 223 HE1 MET 26 HE1 MET 26 0.678 -8.224 0.407 224 HE2 MET 26 HE2 MET 26 -0.768 -8.998 1.052 225 HE3 MET 26 HE3 MET 26 -0.196 -7.476 1.741 226 H CYS 27 H CYS 27 -4.134 -3.478 2.991 227 HA CYS 27 HA CYS 27 -3.098 -3.480 5.661 228 HB2 CYS 27 HB2 CYS 27 -2.741 -1.600 4.094 229 HB3 CYS 27 HB3 CYS 27 -4.470 -1.274 4.068 230 H LYS 28 H LYS 28 -6.341 -3.412 4.244 231 HA LYS 28 HA LYS 28 -7.757 -2.975 6.748 232 HB2 LYS 28 HB2 LYS 28 -8.717 -3.892 3.985 233 HB3 LYS 28 HB3 LYS 28 -9.794 -3.559 5.342 234 HG2 LYS 28 HG2 LYS 28 -9.297 -1.220 5.298 235 HG3 LYS 28 HG3 LYS 28 -7.921 -1.457 4.218 236 HD2 LYS 28 HD2 LYS 28 -9.557 -2.244 2.443 237 HD3 LYS 28 HD3 LYS 28 -10.872 -1.767 3.521 238 HE2 LYS 28 HE2 LYS 28 -10.130 0.565 3.445 239 HE3 LYS 28 HE3 LYS 28 -8.721 0.113 2.480 240 HZ1 LYS 28 HZ1 LYS 28 -11.567 -0.064 1.644 241 HZ2 LYS 28 HZ2 LYS 28 -10.268 -0.666 0.739 242 HZ3 LYS 28 HZ3 LYS 28 -10.389 0.993 1.043 243 H GLU 29 H GLU 29 -7.454 -5.642 4.448 244 HA GLU 29 HA GLU 29 -8.245 -7.650 6.446 245 HB2 GLU 29 HB2 GLU 29 -8.019 -7.904 3.410 246 HB3 GLU 29 HB3 GLU 29 -8.661 -9.115 4.518 247 HG2 GLU 29 HG2 GLU 29 -10.481 -7.531 5.138 248 HG3 GLU 29 HG3 GLU 29 -9.849 -6.393 3.960 249 H GLY 30 H GLY 30 -6.333 -7.809 7.537 250 HA2 GLY 30 HA2 GLY 30 -4.393 -9.454 7.503 251 HA3 GLY 30 HA3 GLY 30 -3.850 -8.551 6.085 252 H THR 31 H THR 31 -2.159 -7.263 6.678 253 HA THR 31 HA THR 31 -2.515 -5.447 8.980 254 HB THR 31 HB THR 31 -0.109 -5.759 9.658 255 HG1 THR 31 HG1 THR 31 0.442 -8.144 8.718 256 HG21 THR 31 HG21 THR 31 -0.368 -7.876 10.856 257 HG22 THR 31 HG22 THR 31 -1.709 -8.342 9.810 258 HG23 THR 31 HG23 THR 31 -1.881 -6.969 10.908 259 H SER 32 H SER 32 -1.522 -3.485 8.783 260 HA SER 32 HA SER 32 -0.612 -2.429 6.302 261 HB2 SER 32 HB2 SER 32 -0.046 -1.279 9.072 262 HB3 SER 32 HB3 SER 32 -0.233 -0.401 7.551 263 HG SER 32 HG SER 32 -2.241 -0.215 8.124 264 H GLU 33 H GLU 33 0.841 -4.014 8.981 265 HA GLU 33 HA GLU 33 3.565 -3.378 8.777 266 HB2 GLU 33 HB2 GLU 33 2.308 -5.978 9.759 267 HB3 GLU 33 HB3 GLU 33 3.908 -5.371 10.174 268 HG2 GLU 33 HG2 GLU 33 2.964 -3.537 11.446 269 HG3 GLU 33 HG3 GLU 33 1.337 -3.925 10.887 270 H ASP 34 H ASP 34 1.613 -5.930 7.263 271 HA ASP 34 HA ASP 34 3.817 -7.037 5.735 272 HB2 ASP 34 HB2 ASP 34 1.811 -8.393 6.588 273 HB3 ASP 34 HB3 ASP 34 0.836 -7.621 5.342 274 H ALA 35 H ALA 35 1.119 -4.819 5.206 275 HA ALA 35 HA ALA 35 1.106 -4.747 2.395 276 HB1 ALA 35 HB1 ALA 35 0.276 -2.542 4.304 277 HB2 ALA 35 HB2 ALA 35 -0.740 -3.886 3.781 278 HB3 ALA 35 HB3 ALA 35 -0.194 -2.690 2.606 279 H GLU 36 H GLU 36 2.883 -2.716 4.734 280 HA GLU 36 HA GLU 36 4.030 -0.862 2.961 281 HB2 GLU 36 HB2 GLU 36 5.635 -0.366 4.745 282 HB3 GLU 36 HB3 GLU 36 4.017 -0.565 5.413 283 HG2 GLU 36 HG2 GLU 36 4.561 -2.806 6.204 284 HG3 GLU 36 HG3 GLU 36 6.141 -2.733 5.431 285 H ARG 37 H ARG 37 4.945 -4.135 3.739 286 HA ARG 37 HA ARG 37 7.603 -4.170 2.710 287 HB2 ARG 37 HB2 ARG 37 5.641 -6.490 2.974 288 HB3 ARG 37 HB3 ARG 37 7.388 -6.627 2.801 289 HG2 ARG 37 HG2 ARG 37 7.679 -5.523 4.997 290 HG3 ARG 37 HG3 ARG 37 5.928 -5.427 5.171 291 HD2 ARG 37 HD2 ARG 37 5.763 -7.872 5.176 292 HD3 ARG 37 HD3 ARG 37 7.503 -8.016 4.901 293 HE ARG 37 HE ARG 37 6.440 -6.707 7.334 294 HH11 ARG 37 HH11 ARG 37 8.416 -9.246 5.891 295 HH12 ARG 37 HH12 ARG 37 9.094 -9.739 7.414 296 HH21 ARG 37 HH21 ARG 37 7.352 -7.372 9.313 297 HH22 ARG 37 HH22 ARG 37 8.493 -8.679 9.347 298 H MET 38 H MET 38 4.417 -4.850 1.318 299 HA MET 38 HA MET 38 5.440 -5.553 -1.304 300 HB2 MET 38 HB2 MET 38 2.595 -4.891 -0.459 301 HB3 MET 38 HB3 MET 38 3.077 -5.692 -1.944 302 HG2 MET 38 HG2 MET 38 3.463 -6.856 0.825 303 HG3 MET 38 HG3 MET 38 2.096 -7.204 -0.220 304 HE1 MET 38 HE1 MET 38 5.546 -8.331 0.907 305 HE2 MET 38 HE2 MET 38 6.160 -7.314 -0.396 306 HE3 MET 38 HE3 MET 38 6.283 -9.068 -0.515 307 H ALA 39 H ALA 39 4.462 -2.664 0.358 308 HA ALA 39 HA ALA 39 3.954 -0.951 -1.866 309 HB1 ALA 39 HB1 ALA 39 4.752 -0.231 0.975 310 HB2 ALA 39 HB2 ALA 39 3.103 -0.489 0.407 311 HB3 ALA 39 HB3 ALA 39 4.043 0.866 -0.218 312 H ARG 40 H ARG 40 6.835 -1.615 0.106 313 HA ARG 40 HA ARG 40 8.583 0.172 -1.308 314 HB2 ARG 40 HB2 ARG 40 10.395 -0.829 -0.064 315 HB3 ARG 40 HB3 ARG 40 9.027 -0.702 1.032 316 HG2 ARG 40 HG2 ARG 40 8.562 -3.083 0.801 317 HG3 ARG 40 HG3 ARG 40 9.824 -3.246 -0.415 318 HD2 ARG 40 HD2 ARG 40 11.507 -2.608 1.338 319 HD3 ARG 40 HD3 ARG 40 10.200 -2.622 2.531 320 HE ARG 40 HE ARG 40 10.152 -5.079 1.185 321 HH11 ARG 40 HH11 ARG 40 12.304 -3.369 3.381 322 HH12 ARG 40 HH12 ARG 40 12.967 -4.829 4.047 323 HH21 ARG 40 HH21 ARG 40 11.043 -6.986 2.071 324 HH22 ARG 40 HH22 ARG 40 12.257 -6.864 3.310 325 H ASN 41 H ASN 41 7.454 -3.080 -1.787 326 HA ASN 41 HA ASN 41 9.540 -3.813 -3.718 327 HB2 ASN 41 HB2 ASN 41 7.308 -5.335 -2.335 328 HB3 ASN 41 HB3 ASN 41 8.084 -6.020 -3.758 329 HD21 ASN 41 HD21 ASN 41 8.046 -6.893 -0.936 330 HD22 ASN 41 HD22 ASN 41 9.702 -7.085 -0.505 331 H CYS 42 H CYS 42 6.722 -2.083 -3.933 332 HA CYS 42 HA CYS 42 5.455 -3.142 -6.218 333 HB2 CYS 42 HB2 CYS 42 4.291 -1.488 -4.851 334 HB3 CYS 42 HB3 CYS 42 5.522 -0.278 -5.192 335 H GLU 43 H GLU 43 7.460 -0.139 -6.202 336 HA GLU 43 HA GLU 43 8.739 -0.916 -8.746 337 HB2 GLU 43 HB2 GLU 43 7.142 1.637 -8.312 338 HB3 GLU 43 HB3 GLU 43 8.228 1.386 -9.674 339 HG2 GLU 43 HG2 GLU 43 6.832 -0.485 -10.463 340 HG3 GLU 43 HG3 GLU 43 5.752 -0.265 -9.081 341 H SER 44 H SER 44 9.719 -0.615 -5.964 342 HA SER 44 HA SER 44 11.676 1.578 -6.341 343 HB2 SER 44 HB2 SER 44 9.920 2.194 -4.647 344 HB3 SER 44 HB3 SER 44 10.388 0.788 -3.687 345 HG SER 44 HG SER 44 11.987 3.046 -4.359 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -7.118 5.236 13.767 2 H2 ALA 1 H2 ALA 1 -6.623 3.689 13.310 3 H3 ALA 1 H3 ALA 1 -8.220 4.163 13.058 4 HA ALA 1 HA ALA 1 -7.505 5.837 11.482 5 HB1 ALA 1 HB1 ALA 1 -5.146 5.867 10.738 6 HB2 ALA 1 HB2 ALA 1 -4.744 4.668 11.970 7 HB3 ALA 1 HB3 ALA 1 -5.291 6.275 12.451 8 HA PRO 2 HA PRO 2 -8.294 1.954 9.101 9 HB2 PRO 2 HB2 PRO 2 -10.075 2.992 7.313 10 HB3 PRO 2 HB3 PRO 2 -10.526 2.677 9.005 11 HG2 PRO 2 HG2 PRO 2 -9.752 5.287 7.717 12 HG3 PRO 2 HG3 PRO 2 -11.082 4.945 8.850 13 HD2 PRO 2 HD2 PRO 2 -8.686 6.021 9.644 14 HD3 PRO 2 HD3 PRO 2 -9.697 5.034 10.710 15 H CYS 3 H CYS 3 -5.820 2.963 8.661 16 HA CYS 3 HA CYS 3 -4.115 2.823 7.230 17 HB2 CYS 3 HB2 CYS 3 -5.412 0.829 6.375 18 HB3 CYS 3 HB3 CYS 3 -6.111 1.868 5.139 19 H GLU 4 H GLU 4 -5.661 5.306 7.453 20 HA GLU 4 HA GLU 4 -5.917 6.666 4.964 21 HB2 GLU 4 HB2 GLU 4 -5.340 7.911 7.688 22 HB3 GLU 4 HB3 GLU 4 -6.105 8.699 6.314 23 HG2 GLU 4 HG2 GLU 4 -8.114 7.420 6.588 24 HG3 GLU 4 HG3 GLU 4 -7.344 6.335 7.749 25 H ASP 5 H ASP 5 -3.440 6.698 7.488 26 HA ASP 5 HA ASP 5 -1.577 8.472 6.429 27 HB2 ASP 5 HB2 ASP 5 -1.604 7.721 8.781 28 HB3 ASP 5 HB3 ASP 5 -1.180 6.090 8.287 29 H LEU 6 H LEU 6 -1.887 4.968 6.009 30 HA LEU 6 HA LEU 6 0.613 4.653 4.619 31 HB2 LEU 6 HB2 LEU 6 -0.533 2.921 6.076 32 HB3 LEU 6 HB3 LEU 6 -1.706 2.697 4.799 33 HG LEU 6 HG LEU 6 1.228 2.297 4.133 34 HD11 LEU 6 HD11 LEU 6 0.921 1.046 6.210 35 HD12 LEU 6 HD12 LEU 6 1.177 -0.022 4.835 36 HD13 LEU 6 HD13 LEU 6 -0.448 0.184 5.499 37 HD21 LEU 6 HD21 LEU 6 0.348 0.586 2.574 38 HD22 LEU 6 HD22 LEU 6 -0.386 2.161 2.288 39 HD23 LEU 6 HD23 LEU 6 -1.295 0.915 3.143 40 H LYS 7 H LYS 7 -2.843 4.677 3.687 41 HA LYS 7 HA LYS 7 -2.479 4.017 0.962 42 HB2 LYS 7 HB2 LYS 7 -4.630 3.790 2.109 43 HB3 LYS 7 HB3 LYS 7 -4.760 5.540 2.276 44 HG2 LYS 7 HG2 LYS 7 -4.875 5.751 -0.204 45 HG3 LYS 7 HG3 LYS 7 -4.777 3.993 -0.349 46 HD2 LYS 7 HD2 LYS 7 -7.012 5.590 0.964 47 HD3 LYS 7 HD3 LYS 7 -7.101 4.732 -0.576 48 HE2 LYS 7 HE2 LYS 7 -6.681 2.590 0.686 49 HE3 LYS 7 HE3 LYS 7 -6.801 3.510 2.188 50 HZ1 LYS 7 HZ1 LYS 7 -8.882 2.432 1.606 51 HZ2 LYS 7 HZ2 LYS 7 -8.939 3.269 0.142 52 HZ3 LYS 7 HZ3 LYS 7 -9.056 4.110 1.602 53 H GLU 8 H GLU 8 -2.586 7.194 2.564 54 HA GLU 8 HA GLU 8 -2.673 8.773 0.219 55 HB2 GLU 8 HB2 GLU 8 -2.026 10.674 1.617 56 HB3 GLU 8 HB3 GLU 8 -3.276 9.715 2.404 57 HG2 GLU 8 HG2 GLU 8 -1.628 8.720 3.900 58 HG3 GLU 8 HG3 GLU 8 -0.320 9.569 3.073 59 H ARG 9 H ARG 9 0.008 7.386 2.079 60 HA ARG 9 HA ARG 9 2.193 8.560 0.731 61 HB2 ARG 9 HB2 ARG 9 1.979 5.755 1.914 62 HB3 ARG 9 HB3 ARG 9 3.492 6.541 1.457 63 HG2 ARG 9 HG2 ARG 9 3.208 8.225 3.160 64 HG3 ARG 9 HG3 ARG 9 1.588 7.636 3.543 65 HD2 ARG 9 HD2 ARG 9 2.635 5.450 4.247 66 HD3 ARG 9 HD3 ARG 9 4.222 6.200 4.014 67 HE ARG 9 HE ARG 9 2.212 6.904 6.035 68 HH11 ARG 9 HH11 ARG 9 5.497 7.284 4.842 69 HH12 ARG 9 HH12 ARG 9 6.049 8.070 6.286 70 HH21 ARG 9 HH21 ARG 9 2.924 7.941 7.894 71 HH22 ARG 9 HH22 ARG 9 4.584 8.445 8.023 72 H LEU 10 H LEU 10 0.297 5.640 -0.027 73 HA LEU 10 HA LEU 10 1.867 4.554 -2.077 74 HB2 LEU 10 HB2 LEU 10 -1.168 4.422 -1.900 75 HB3 LEU 10 HB3 LEU 10 -0.121 3.288 -2.744 76 HG LEU 10 HG LEU 10 -0.325 3.661 0.269 77 HD11 LEU 10 HD11 LEU 10 -1.281 1.412 0.301 78 HD12 LEU 10 HD12 LEU 10 -1.217 1.341 -1.463 79 HD13 LEU 10 HD13 LEU 10 -2.261 2.517 -0.658 80 HD21 LEU 10 HD21 LEU 10 1.439 1.729 -1.269 81 HD22 LEU 10 HD22 LEU 10 1.193 1.731 0.480 82 HD23 LEU 10 HD23 LEU 10 1.975 3.103 -0.298 83 H LYS 11 H LYS 11 -0.826 6.841 -2.226 84 HA LYS 11 HA LYS 11 -0.918 7.092 -5.081 85 HB2 LYS 11 HB2 LYS 11 -2.121 8.846 -2.905 86 HB3 LYS 11 HB3 LYS 11 -2.551 8.901 -4.616 87 HG2 LYS 11 HG2 LYS 11 -3.480 6.643 -4.500 88 HG3 LYS 11 HG3 LYS 11 -2.946 6.474 -2.823 89 HD2 LYS 11 HD2 LYS 11 -4.982 8.527 -3.806 90 HD3 LYS 11 HD3 LYS 11 -5.392 6.992 -3.033 91 HE2 LYS 11 HE2 LYS 11 -4.220 7.710 -0.979 92 HE3 LYS 11 HE3 LYS 11 -3.791 9.239 -1.753 93 HZ1 LYS 11 HZ1 LYS 11 -6.563 8.306 -1.208 94 HZ2 LYS 11 HZ2 LYS 11 -6.133 9.784 -1.908 95 HZ3 LYS 11 HZ3 LYS 11 -5.716 9.458 -0.306 96 H LYS 12 H LYS 12 0.480 8.992 -2.431 97 HA LYS 12 HA LYS 12 1.266 11.273 -3.961 98 HB2 LYS 12 HB2 LYS 12 0.935 10.958 -1.351 99 HB3 LYS 12 HB3 LYS 12 2.608 10.435 -1.356 100 HG2 LYS 12 HG2 LYS 12 1.636 13.157 -2.317 101 HG3 LYS 12 HG3 LYS 12 2.248 12.833 -0.698 102 HD2 LYS 12 HD2 LYS 12 3.833 12.619 -3.294 103 HD3 LYS 12 HD3 LYS 12 3.967 13.902 -2.088 104 HE2 LYS 12 HE2 LYS 12 4.795 12.287 -0.434 105 HE3 LYS 12 HE3 LYS 12 4.614 10.974 -1.601 106 HZ1 LYS 12 HZ1 LYS 12 6.294 11.949 -2.969 107 HZ2 LYS 12 HZ2 LYS 12 6.901 11.829 -1.398 108 HZ3 LYS 12 HZ3 LYS 12 6.388 13.320 -1.992 109 H LEU 13 H LEU 13 2.810 8.227 -3.094 110 HA LEU 13 HA LEU 13 5.426 8.803 -4.126 111 HB2 LEU 13 HB2 LEU 13 4.026 6.381 -3.024 112 HB3 LEU 13 HB3 LEU 13 5.405 6.076 -4.062 113 HG LEU 13 HG LEU 13 6.914 7.224 -2.537 114 HD11 LEU 13 HD11 LEU 13 4.543 7.906 -0.784 115 HD12 LEU 13 HD12 LEU 13 5.471 9.047 -1.759 116 HD13 LEU 13 HD13 LEU 13 6.244 8.210 -0.417 117 HD21 LEU 13 HD21 LEU 13 6.753 5.768 -0.573 118 HD22 LEU 13 HD22 LEU 13 6.421 4.876 -2.057 119 HD23 LEU 13 HD23 LEU 13 5.088 5.357 -1.000 120 H GLY 14 H GLY 14 2.425 7.670 -5.440 121 HA2 GLY 14 HA2 GLY 14 1.700 7.601 -7.592 122 HA3 GLY 14 HA3 GLY 14 3.262 8.222 -8.112 123 H MET 15 H MET 15 2.231 5.230 -6.458 124 HA MET 15 HA MET 15 3.615 3.536 -8.350 125 HB2 MET 15 HB2 MET 15 2.751 1.700 -6.925 126 HB3 MET 15 HB3 MET 15 3.602 2.915 -5.990 127 HG2 MET 15 HG2 MET 15 1.377 3.861 -5.320 128 HG3 MET 15 HG3 MET 15 0.613 2.523 -6.153 129 HE1 MET 15 HE1 MET 15 3.443 3.203 -3.337 130 HE2 MET 15 HE2 MET 15 4.056 1.856 -4.304 131 HE3 MET 15 HE3 MET 15 3.517 1.580 -2.649 132 H SER 16 H SER 16 2.201 1.600 -9.149 133 HA SER 16 HA SER 16 0.389 2.581 -11.066 134 HB2 SER 16 HB2 SER 16 0.792 -0.271 -10.056 135 HB3 SER 16 HB3 SER 16 -0.023 0.166 -11.557 136 HG SER 16 HG SER 16 2.659 0.917 -10.984 137 H GLU 17 H GLU 17 -1.919 2.316 -11.241 138 HA GLU 17 HA GLU 17 -3.396 2.770 -8.862 139 HB2 GLU 17 HB2 GLU 17 -4.388 1.986 -11.642 140 HB3 GLU 17 HB3 GLU 17 -5.434 2.508 -10.320 141 HG2 GLU 17 HG2 GLU 17 -4.214 4.686 -10.269 142 HG3 GLU 17 HG3 GLU 17 -3.284 4.165 -11.670 143 H GLU 18 H GLU 18 -2.587 -0.191 -10.574 144 HA GLU 18 HA GLU 18 -4.314 -1.878 -9.025 145 HB2 GLU 18 HB2 GLU 18 -3.455 -2.619 -11.201 146 HB3 GLU 18 HB3 GLU 18 -1.793 -2.470 -10.637 147 HG2 GLU 18 HG2 GLU 18 -2.226 -4.322 -8.995 148 HG3 GLU 18 HG3 GLU 18 -3.852 -4.486 -9.666 149 H CYS 19 H CYS 19 -1.026 -0.561 -8.584 150 HA CYS 19 HA CYS 19 -0.037 -2.440 -6.706 151 HB2 CYS 19 HB2 CYS 19 1.414 -0.748 -7.916 152 HB3 CYS 19 HB3 CYS 19 0.686 0.514 -6.955 153 H ARG 20 H ARG 20 -1.456 0.805 -6.257 154 HA ARG 20 HA ARG 20 -1.401 0.691 -3.429 155 HB2 ARG 20 HB2 ARG 20 -3.016 2.741 -3.628 156 HB3 ARG 20 HB3 ARG 20 -1.356 2.884 -4.163 157 HG2 ARG 20 HG2 ARG 20 -2.704 4.045 -5.713 158 HG3 ARG 20 HG3 ARG 20 -2.140 2.576 -6.512 159 HD2 ARG 20 HD2 ARG 20 -4.566 3.209 -6.924 160 HD3 ARG 20 HD3 ARG 20 -4.292 1.564 -6.357 161 HE ARG 20 HE ARG 20 -5.473 2.015 -4.500 162 HH11 ARG 20 HH11 ARG 20 -4.728 5.110 -6.034 163 HH12 ARG 20 HH12 ARG 20 -5.710 6.019 -4.941 164 HH21 ARG 20 HH21 ARG 20 -6.652 3.278 -3.006 165 HH22 ARG 20 HH22 ARG 20 -6.789 4.984 -3.237 166 H GLN 21 H GLN 21 -3.850 -0.320 -5.763 167 HA GLN 21 HA GLN 21 -5.959 -0.744 -3.868 168 HB2 GLN 21 HB2 GLN 21 -5.505 -1.712 -6.713 169 HB3 GLN 21 HB3 GLN 21 -6.924 -2.199 -5.785 170 HG2 GLN 21 HG2 GLN 21 -7.687 0.091 -5.606 171 HG3 GLN 21 HG3 GLN 21 -6.188 0.702 -6.297 172 HE21 GLN 21 HE21 GLN 21 -7.221 1.803 -7.973 173 HE22 GLN 21 HE22 GLN 21 -7.998 0.996 -9.288 174 H ARG 22 H ARG 22 -3.243 -2.694 -4.944 175 HA ARG 22 HA ARG 22 -3.947 -5.164 -3.709 176 HB2 ARG 22 HB2 ARG 22 -1.264 -3.939 -4.485 177 HB3 ARG 22 HB3 ARG 22 -1.384 -5.540 -3.789 178 HG2 ARG 22 HG2 ARG 22 -2.708 -6.298 -5.704 179 HG3 ARG 22 HG3 ARG 22 -2.657 -4.676 -6.397 180 HD2 ARG 22 HD2 ARG 22 -0.235 -4.832 -6.674 181 HD3 ARG 22 HD3 ARG 22 -0.210 -6.399 -5.855 182 HE ARG 22 HE ARG 22 -1.881 -6.306 -8.218 183 HH11 ARG 22 HH11 ARG 22 1.383 -6.929 -7.029 184 HH12 ARG 22 HH12 ARG 22 1.816 -7.904 -8.399 185 HH21 ARG 22 HH21 ARG 22 -1.272 -7.581 -10.015 186 HH22 ARG 22 HH22 ARG 22 0.320 -8.270 -10.077 187 H LEU 23 H LEU 23 -2.086 -2.333 -2.692 188 HA LEU 23 HA LEU 23 -1.054 -3.537 -0.307 189 HB2 LEU 23 HB2 LEU 23 -0.946 -0.692 -1.358 190 HB3 LEU 23 HB3 LEU 23 -0.014 -1.283 -0.001 191 HG LEU 23 HG LEU 23 0.213 -2.319 -2.847 192 HD11 LEU 23 HD11 LEU 23 2.140 -0.554 -1.344 193 HD12 LEU 23 HD12 LEU 23 1.101 -0.067 -2.687 194 HD13 LEU 23 HD13 LEU 23 2.382 -1.247 -2.954 195 HD21 LEU 23 HD21 LEU 23 1.895 -3.017 -0.429 196 HD22 LEU 23 HD22 LEU 23 2.159 -3.571 -2.087 197 HD23 LEU 23 HD23 LEU 23 0.711 -4.066 -1.219 198 H GLU 24 H GLU 24 -3.494 -1.022 -0.975 199 HA GLU 24 HA GLU 24 -4.079 -0.333 1.705 200 HB2 GLU 24 HB2 GLU 24 -6.004 0.827 0.840 201 HB3 GLU 24 HB3 GLU 24 -4.711 1.015 -0.338 202 HG2 GLU 24 HG2 GLU 24 -5.741 -0.804 -1.707 203 HG3 GLU 24 HG3 GLU 24 -7.069 -0.887 -0.549 204 H LYS 25 H LYS 25 -5.164 -2.893 -0.390 205 HA LYS 25 HA LYS 25 -7.363 -3.928 1.078 206 HB2 LYS 25 HB2 LYS 25 -7.081 -4.452 -1.268 207 HB3 LYS 25 HB3 LYS 25 -5.476 -5.113 -0.993 208 HG2 LYS 25 HG2 LYS 25 -6.498 -6.999 0.279 209 HG3 LYS 25 HG3 LYS 25 -8.100 -6.342 -0.072 210 HD2 LYS 25 HD2 LYS 25 -6.081 -7.327 -2.132 211 HD3 LYS 25 HD3 LYS 25 -7.526 -8.192 -1.609 212 HE2 LYS 25 HE2 LYS 25 -8.927 -6.344 -2.537 213 HE3 LYS 25 HE3 LYS 25 -7.458 -5.543 -3.102 214 HZ1 LYS 25 HZ1 LYS 25 -8.479 -6.786 -4.877 215 HZ2 LYS 25 HZ2 LYS 25 -8.424 -8.216 -3.978 216 HZ3 LYS 25 HZ3 LYS 25 -6.992 -7.481 -4.482 217 H MET 26 H MET 26 -3.923 -4.898 0.855 218 HA MET 26 HA MET 26 -4.010 -6.934 2.843 219 HB2 MET 26 HB2 MET 26 -1.602 -5.369 1.808 220 HB3 MET 26 HB3 MET 26 -1.519 -6.836 2.777 221 HG2 MET 26 HG2 MET 26 -2.767 -8.018 0.917 222 HG3 MET 26 HG3 MET 26 -2.556 -6.562 -0.051 223 HE1 MET 26 HE1 MET 26 0.854 -9.381 1.305 224 HE2 MET 26 HE2 MET 26 -0.864 -9.703 1.546 225 HE3 MET 26 HE3 MET 26 -0.060 -8.441 2.483 226 H CYS 27 H CYS 27 -3.647 -3.505 2.960 227 HA CYS 27 HA CYS 27 -2.346 -3.135 5.444 228 HB2 CYS 27 HB2 CYS 27 -2.532 -1.440 3.627 229 HB3 CYS 27 HB3 CYS 27 -4.253 -1.293 3.952 230 H LYS 28 H LYS 28 -5.786 -3.304 4.542 231 HA LYS 28 HA LYS 28 -6.613 -2.883 7.334 232 HB2 LYS 28 HB2 LYS 28 -8.939 -2.717 6.403 233 HB3 LYS 28 HB3 LYS 28 -7.829 -1.495 5.804 234 HG2 LYS 28 HG2 LYS 28 -7.680 -2.550 3.653 235 HG3 LYS 28 HG3 LYS 28 -8.515 -3.992 4.226 236 HD2 LYS 28 HD2 LYS 28 -9.964 -2.523 2.820 237 HD3 LYS 28 HD3 LYS 28 -10.612 -2.765 4.443 238 HE2 LYS 28 HE2 LYS 28 -9.861 -0.541 5.117 239 HE3 LYS 28 HE3 LYS 28 -9.039 -0.318 3.568 240 HZ1 LYS 28 HZ1 LYS 28 -11.194 -0.404 2.460 241 HZ2 LYS 28 HZ2 LYS 28 -11.158 0.835 3.607 242 HZ3 LYS 28 HZ3 LYS 28 -11.979 -0.605 3.940 243 H GLU 29 H GLU 29 -7.085 -5.296 4.711 244 HA GLU 29 HA GLU 29 -8.546 -7.092 6.486 245 HB2 GLU 29 HB2 GLU 29 -7.723 -7.498 3.581 246 HB3 GLU 29 HB3 GLU 29 -8.868 -8.487 4.488 247 HG2 GLU 29 HG2 GLU 29 -10.346 -6.470 4.714 248 HG3 GLU 29 HG3 GLU 29 -9.227 -5.579 3.686 249 H GLY 30 H GLY 30 -5.287 -6.552 5.864 250 HA2 GLY 30 HA2 GLY 30 -4.592 -9.171 7.113 251 HA3 GLY 30 HA3 GLY 30 -3.542 -8.358 5.945 252 H THR 31 H THR 31 -1.990 -7.087 6.793 253 HA THR 31 HA THR 31 -2.628 -5.364 9.102 254 HB THR 31 HB THR 31 -0.297 -5.547 9.985 255 HG1 THR 31 HG1 THR 31 -0.027 -7.722 8.168 256 HG21 THR 31 HG21 THR 31 -2.031 -6.983 11.027 257 HG22 THR 31 HG22 THR 31 -0.441 -7.754 11.056 258 HG23 THR 31 HG23 THR 31 -1.644 -8.260 9.870 259 H SER 32 H SER 32 -1.540 -3.344 9.064 260 HA SER 32 HA SER 32 -0.838 -2.195 6.597 261 HB2 SER 32 HB2 SER 32 -0.115 -1.262 9.406 262 HB3 SER 32 HB3 SER 32 -0.085 -0.268 7.947 263 HG SER 32 HG SER 32 -2.340 -0.637 7.753 264 H GLU 33 H GLU 33 1.020 -4.038 8.881 265 HA GLU 33 HA GLU 33 3.663 -3.468 8.059 266 HB2 GLU 33 HB2 GLU 33 2.541 -6.087 9.169 267 HB3 GLU 33 HB3 GLU 33 4.247 -5.631 9.118 268 HG2 GLU 33 HG2 GLU 33 3.833 -3.787 10.677 269 HG3 GLU 33 HG3 GLU 33 2.107 -4.159 10.693 270 H ASP 34 H ASP 34 1.269 -5.892 6.960 271 HA ASP 34 HA ASP 34 2.853 -7.134 4.956 272 HB2 ASP 34 HB2 ASP 34 -0.118 -7.069 5.535 273 HB3 ASP 34 HB3 ASP 34 0.411 -7.699 3.980 274 H ALA 35 H ALA 35 0.850 -4.261 4.929 275 HA ALA 35 HA ALA 35 0.731 -3.890 2.108 276 HB1 ALA 35 HB1 ALA 35 -0.030 -1.615 2.646 277 HB2 ALA 35 HB2 ALA 35 0.415 -1.863 4.337 278 HB3 ALA 35 HB3 ALA 35 -0.868 -2.832 3.610 279 H GLU 36 H GLU 36 2.819 -2.329 4.630 280 HA GLU 36 HA GLU 36 4.417 -0.880 2.770 281 HB2 GLU 36 HB2 GLU 36 5.988 -0.492 4.657 282 HB3 GLU 36 HB3 GLU 36 4.319 -0.171 5.119 283 HG2 GLU 36 HG2 GLU 36 4.182 -2.212 6.371 284 HG3 GLU 36 HG3 GLU 36 5.717 -2.786 5.731 285 H ARG 37 H ARG 37 4.636 -4.091 4.104 286 HA ARG 37 HA ARG 37 7.197 -4.951 3.368 287 HB2 ARG 37 HB2 ARG 37 5.785 -6.247 4.844 288 HB3 ARG 37 HB3 ARG 37 4.523 -6.377 3.629 289 HG2 ARG 37 HG2 ARG 37 6.080 -7.829 2.276 290 HG3 ARG 37 HG3 ARG 37 7.204 -7.794 3.639 291 HD2 ARG 37 HD2 ARG 37 5.468 -8.801 5.089 292 HD3 ARG 37 HD3 ARG 37 4.344 -8.824 3.725 293 HE ARG 37 HE ARG 37 6.844 -10.250 3.309 294 HH11 ARG 37 HH11 ARG 37 3.461 -10.547 4.317 295 HH12 ARG 37 HH12 ARG 37 3.420 -12.262 4.038 296 HH21 ARG 37 HH21 ARG 37 6.756 -12.488 2.995 297 HH22 ARG 37 HH22 ARG 37 5.276 -13.350 3.288 298 H MET 38 H MET 38 4.109 -5.278 1.582 299 HA MET 38 HA MET 38 5.407 -6.275 -0.797 300 HB2 MET 38 HB2 MET 38 2.522 -5.513 -0.241 301 HB3 MET 38 HB3 MET 38 3.079 -6.203 -1.758 302 HG2 MET 38 HG2 MET 38 3.381 -7.607 0.908 303 HG3 MET 38 HG3 MET 38 1.991 -7.818 -0.149 304 HE1 MET 38 HE1 MET 38 5.365 -9.224 0.864 305 HE2 MET 38 HE2 MET 38 6.048 -8.073 -0.287 306 HE3 MET 38 HE3 MET 38 6.110 -9.802 -0.627 307 H ALA 39 H ALA 39 4.587 -3.157 0.441 308 HA ALA 39 HA ALA 39 4.404 -1.671 -1.971 309 HB1 ALA 39 HB1 ALA 39 3.593 -0.774 0.162 310 HB2 ALA 39 HB2 ALA 39 4.767 0.319 -0.569 311 HB3 ALA 39 HB3 ALA 39 5.246 -0.710 0.786 312 H ARG 40 H ARG 40 7.153 -2.426 0.188 313 HA ARG 40 HA ARG 40 9.089 -1.099 -1.477 314 HB2 ARG 40 HB2 ARG 40 10.789 -2.105 0.019 315 HB3 ARG 40 HB3 ARG 40 9.512 -1.270 0.897 316 HG2 ARG 40 HG2 ARG 40 8.434 -3.534 1.268 317 HG3 ARG 40 HG3 ARG 40 9.911 -4.262 0.625 318 HD2 ARG 40 HD2 ARG 40 9.948 -4.217 3.070 319 HD3 ARG 40 HD3 ARG 40 11.211 -3.171 2.417 320 HE ARG 40 HE ARG 40 9.675 -1.265 2.873 321 HH11 ARG 40 HH11 ARG 40 9.256 -4.228 4.759 322 HH12 ARG 40 HH12 ARG 40 8.505 -3.411 6.095 323 HH21 ARG 40 HH21 ARG 40 8.683 -0.222 4.639 324 HH22 ARG 40 HH22 ARG 40 8.194 -1.146 6.020 325 H ASN 41 H ASN 41 7.414 -3.948 -1.859 326 HA ASN 41 HA ASN 41 9.414 -5.152 -3.679 327 HB2 ASN 41 HB2 ASN 41 6.846 -6.200 -2.420 328 HB3 ASN 41 HB3 ASN 41 7.479 -6.953 -3.886 329 HD21 ASN 41 HD21 ASN 41 8.235 -6.206 -0.533 330 HD22 ASN 41 HD22 ASN 41 9.401 -7.456 -0.330 331 H CYS 42 H CYS 42 6.680 -3.107 -3.624 332 HA CYS 42 HA CYS 42 6.099 -3.448 -6.485 333 HB2 CYS 42 HB2 CYS 42 4.220 -3.161 -4.820 334 HB3 CYS 42 HB3 CYS 42 4.812 -1.536 -4.493 335 H GLU 43 H GLU 43 6.460 -0.476 -4.491 336 HA GLU 43 HA GLU 43 8.556 0.526 -6.341 337 HB2 GLU 43 HB2 GLU 43 6.548 2.185 -4.743 338 HB3 GLU 43 HB3 GLU 43 7.806 2.820 -5.802 339 HG2 GLU 43 HG2 GLU 43 5.410 1.171 -6.649 340 HG3 GLU 43 HG3 GLU 43 5.609 2.908 -6.868 341 H SER 44 H SER 44 7.344 1.405 -3.079 342 HA SER 44 HA SER 44 9.707 0.729 -1.651 343 HB2 SER 44 HB2 SER 44 10.357 3.149 -1.074 344 HB3 SER 44 HB3 SER 44 10.755 2.643 -2.716 345 HG SER 44 HG SER 44 8.380 4.046 -2.027 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -3.424 7.056 13.164 2 H2 ALA 1 H2 ALA 1 -3.210 8.582 12.481 3 H3 ALA 1 H3 ALA 1 -2.178 7.321 12.053 4 HA ALA 1 HA ALA 1 -5.072 7.469 11.475 5 HB1 ALA 1 HB1 ALA 1 -4.358 7.730 9.113 6 HB2 ALA 1 HB2 ALA 1 -2.670 7.751 9.633 7 HB3 ALA 1 HB3 ALA 1 -3.762 9.047 10.123 8 HA PRO 2 HA PRO 2 -4.617 2.988 11.690 9 HB2 PRO 2 HB2 PRO 2 -6.947 2.264 10.326 10 HB3 PRO 2 HB3 PRO 2 -6.899 2.770 12.023 11 HG2 PRO 2 HG2 PRO 2 -7.577 4.396 9.594 12 HG3 PRO 2 HG3 PRO 2 -8.377 4.365 11.185 13 HD2 PRO 2 HD2 PRO 2 -6.684 6.349 10.532 14 HD3 PRO 2 HD3 PRO 2 -6.730 5.703 12.189 15 H CYS 3 H CYS 3 -5.786 4.127 8.488 16 HA CYS 3 HA CYS 3 -3.511 2.851 7.148 17 HB2 CYS 3 HB2 CYS 3 -5.375 1.154 7.218 18 HB3 CYS 3 HB3 CYS 3 -6.384 2.273 6.309 19 H GLU 4 H GLU 4 -5.170 5.527 7.697 20 HA GLU 4 HA GLU 4 -5.799 6.603 5.135 21 HB2 GLU 4 HB2 GLU 4 -5.157 8.213 7.643 22 HB3 GLU 4 HB3 GLU 4 -6.131 8.710 6.264 23 HG2 GLU 4 HG2 GLU 4 -7.858 7.067 6.866 24 HG3 GLU 4 HG3 GLU 4 -6.876 6.521 8.225 25 H ASP 5 H ASP 5 -3.100 7.103 7.399 26 HA ASP 5 HA ASP 5 -1.449 8.742 5.879 27 HB2 ASP 5 HB2 ASP 5 -1.015 8.363 8.262 28 HB3 ASP 5 HB3 ASP 5 -0.689 6.657 7.983 29 H LEU 6 H LEU 6 -1.722 5.207 5.991 30 HA LEU 6 HA LEU 6 0.555 4.676 4.400 31 HB2 LEU 6 HB2 LEU 6 -0.430 3.032 5.946 32 HB3 LEU 6 HB3 LEU 6 -1.847 2.894 4.926 33 HG LEU 6 HG LEU 6 0.762 2.325 3.538 34 HD11 LEU 6 HD11 LEU 6 1.039 0.081 4.428 35 HD12 LEU 6 HD12 LEU 6 -0.269 0.346 5.582 36 HD13 LEU 6 HD13 LEU 6 1.222 1.284 5.708 37 HD21 LEU 6 HD21 LEU 6 -0.530 0.468 2.521 38 HD22 LEU 6 HD22 LEU 6 -1.349 2.017 2.338 39 HD23 LEU 6 HD23 LEU 6 -1.907 0.868 3.554 40 H LYS 7 H LYS 7 -2.949 4.892 3.585 41 HA LYS 7 HA LYS 7 -2.688 4.099 0.880 42 HB2 LYS 7 HB2 LYS 7 -4.846 4.174 2.221 43 HB3 LYS 7 HB3 LYS 7 -4.861 5.922 1.997 44 HG2 LYS 7 HG2 LYS 7 -4.847 5.490 -0.519 45 HG3 LYS 7 HG3 LYS 7 -5.071 3.782 -0.151 46 HD2 LYS 7 HD2 LYS 7 -7.262 4.502 -0.582 47 HD3 LYS 7 HD3 LYS 7 -7.190 4.568 1.179 48 HE2 LYS 7 HE2 LYS 7 -6.852 6.935 -0.701 49 HE3 LYS 7 HE3 LYS 7 -8.304 6.554 0.218 50 HZ1 LYS 7 HZ1 LYS 7 -6.864 6.800 2.256 51 HZ2 LYS 7 HZ2 LYS 7 -7.198 8.213 1.400 52 HZ3 LYS 7 HZ3 LYS 7 -5.687 7.480 1.245 53 H GLU 8 H GLU 8 -2.632 7.283 2.435 54 HA GLU 8 HA GLU 8 -2.332 8.839 0.065 55 HB2 GLU 8 HB2 GLU 8 -1.610 9.505 2.947 56 HB3 GLU 8 HB3 GLU 8 -1.648 10.665 1.622 57 HG2 GLU 8 HG2 GLU 8 -4.005 9.125 2.722 58 HG3 GLU 8 HG3 GLU 8 -3.658 10.831 2.988 59 H ARG 9 H ARG 9 -0.078 7.180 2.199 60 HA ARG 9 HA ARG 9 2.371 8.262 1.297 61 HB2 ARG 9 HB2 ARG 9 1.905 6.767 3.367 62 HB3 ARG 9 HB3 ARG 9 1.979 5.400 2.256 63 HG2 ARG 9 HG2 ARG 9 4.315 6.213 1.624 64 HG3 ARG 9 HG3 ARG 9 4.193 7.327 2.988 65 HD2 ARG 9 HD2 ARG 9 4.176 4.302 3.048 66 HD3 ARG 9 HD3 ARG 9 5.370 5.388 3.759 67 HE ARG 9 HE ARG 9 3.277 6.127 5.162 68 HH11 ARG 9 HH11 ARG 9 4.167 2.814 4.321 69 HH12 ARG 9 HH12 ARG 9 3.414 2.142 5.735 70 HH21 ARG 9 HH21 ARG 9 2.257 5.211 6.965 71 HH22 ARG 9 HH22 ARG 9 2.334 3.500 7.228 72 H LEU 10 H LEU 10 0.262 5.652 0.165 73 HA LEU 10 HA LEU 10 1.998 4.431 -1.725 74 HB2 LEU 10 HB2 LEU 10 -1.046 4.538 -1.917 75 HB3 LEU 10 HB3 LEU 10 0.023 3.341 -2.634 76 HG LEU 10 HG LEU 10 -0.607 3.676 0.307 77 HD11 LEU 10 HD11 LEU 10 -2.427 2.669 -0.934 78 HD12 LEU 10 HD12 LEU 10 -1.679 1.492 0.143 79 HD13 LEU 10 HD13 LEU 10 -1.336 1.444 -1.589 80 HD21 LEU 10 HD21 LEU 10 1.319 1.723 -0.980 81 HD22 LEU 10 HD22 LEU 10 0.760 1.639 0.691 82 HD23 LEU 10 HD23 LEU 10 1.713 3.018 0.155 83 H LYS 11 H LYS 11 -0.530 6.905 -1.998 84 HA LYS 11 HA LYS 11 -0.322 7.408 -4.788 85 HB2 LYS 11 HB2 LYS 11 -1.309 9.264 -2.575 86 HB3 LYS 11 HB3 LYS 11 -1.637 9.450 -4.298 87 HG2 LYS 11 HG2 LYS 11 -2.954 7.373 -4.302 88 HG3 LYS 11 HG3 LYS 11 -2.569 7.108 -2.599 89 HD2 LYS 11 HD2 LYS 11 -4.813 8.032 -2.749 90 HD3 LYS 11 HD3 LYS 11 -3.748 9.242 -2.032 91 HE2 LYS 11 HE2 LYS 11 -5.232 10.312 -3.638 92 HE3 LYS 11 HE3 LYS 11 -3.581 10.365 -4.256 93 HZ1 LYS 11 HZ1 LYS 11 -5.662 8.410 -5.070 94 HZ2 LYS 11 HZ2 LYS 11 -4.098 8.504 -5.700 95 HZ3 LYS 11 HZ3 LYS 11 -5.191 9.760 -5.965 96 H LYS 12 H LYS 12 1.362 8.676 -1.987 97 HA LYS 12 HA LYS 12 2.761 10.825 -3.287 98 HB2 LYS 12 HB2 LYS 12 2.222 10.839 -0.866 99 HB3 LYS 12 HB3 LYS 12 3.230 9.417 -0.618 100 HG2 LYS 12 HG2 LYS 12 4.343 11.459 0.158 101 HG3 LYS 12 HG3 LYS 12 5.240 10.703 -1.163 102 HD2 LYS 12 HD2 LYS 12 4.395 12.368 -2.739 103 HD3 LYS 12 HD3 LYS 12 3.372 13.091 -1.491 104 HE2 LYS 12 HE2 LYS 12 5.386 13.757 -0.225 105 HE3 LYS 12 HE3 LYS 12 6.414 12.997 -1.444 106 HZ1 LYS 12 HZ1 LYS 12 6.260 15.376 -1.778 107 HZ2 LYS 12 HZ2 LYS 12 4.581 15.287 -1.914 108 HZ3 LYS 12 HZ3 LYS 12 5.561 14.560 -3.081 109 H LEU 13 H LEU 13 3.447 7.438 -2.574 110 HA LEU 13 HA LEU 13 6.304 7.619 -3.095 111 HB2 LEU 13 HB2 LEU 13 5.296 6.151 -1.328 112 HB3 LEU 13 HB3 LEU 13 4.493 5.215 -2.573 113 HG LEU 13 HG LEU 13 6.695 4.403 -3.390 114 HD11 LEU 13 HD11 LEU 13 7.886 6.020 -1.116 115 HD12 LEU 13 HD12 LEU 13 8.105 6.314 -2.844 116 HD13 LEU 13 HD13 LEU 13 8.757 4.850 -2.113 117 HD21 LEU 13 HD21 LEU 13 6.237 4.008 -0.402 118 HD22 LEU 13 HD22 LEU 13 7.261 2.984 -1.419 119 HD23 LEU 13 HD23 LEU 13 5.526 3.063 -1.716 120 H GLY 14 H GLY 14 3.370 6.798 -4.778 121 HA2 GLY 14 HA2 GLY 14 2.936 6.614 -7.011 122 HA3 GLY 14 HA3 GLY 14 4.643 6.833 -7.343 123 H MET 15 H MET 15 2.086 4.503 -6.936 124 HA MET 15 HA MET 15 3.721 2.629 -8.448 125 HB2 MET 15 HB2 MET 15 2.815 0.689 -7.163 126 HB3 MET 15 HB3 MET 15 3.869 1.713 -6.199 127 HG2 MET 15 HG2 MET 15 0.872 1.999 -6.094 128 HG3 MET 15 HG3 MET 15 1.730 0.830 -5.098 129 HE1 MET 15 HE1 MET 15 3.806 3.026 -2.713 130 HE2 MET 15 HE2 MET 15 4.312 2.129 -4.145 131 HE3 MET 15 HE3 MET 15 3.151 1.417 -3.018 132 H SER 16 H SER 16 2.328 0.953 -9.515 133 HA SER 16 HA SER 16 0.360 2.058 -11.170 134 HB2 SER 16 HB2 SER 16 0.742 -0.869 -10.382 135 HB3 SER 16 HB3 SER 16 -0.161 -0.302 -11.793 136 HG SER 16 HG SER 16 2.559 -0.528 -11.402 137 H GLU 17 H GLU 17 -2.024 1.726 -11.213 138 HA GLU 17 HA GLU 17 -3.155 2.347 -8.700 139 HB2 GLU 17 HB2 GLU 17 -4.115 3.053 -10.917 140 HB3 GLU 17 HB3 GLU 17 -4.757 1.417 -11.106 141 HG2 GLU 17 HG2 GLU 17 -6.063 1.688 -9.011 142 HG3 GLU 17 HG3 GLU 17 -5.414 3.316 -8.809 143 H GLU 18 H GLU 18 -3.065 -0.632 -10.530 144 HA GLU 18 HA GLU 18 -4.605 -2.367 -9.030 145 HB2 GLU 18 HB2 GLU 18 -3.606 -2.942 -11.211 146 HB3 GLU 18 HB3 GLU 18 -1.991 -2.858 -10.521 147 HG2 GLU 18 HG2 GLU 18 -2.631 -4.810 -9.033 148 HG3 GLU 18 HG3 GLU 18 -4.122 -4.942 -9.962 149 H CYS 19 H CYS 19 -1.475 -1.005 -8.328 150 HA CYS 19 HA CYS 19 -0.591 -3.037 -6.503 151 HB2 CYS 19 HB2 CYS 19 0.969 -1.484 -7.835 152 HB3 CYS 19 HB3 CYS 19 0.512 -0.218 -6.722 153 H ARG 20 H ARG 20 -1.855 0.332 -6.207 154 HA ARG 20 HA ARG 20 -1.761 0.387 -3.363 155 HB2 ARG 20 HB2 ARG 20 -3.801 1.993 -4.975 156 HB3 ARG 20 HB3 ARG 20 -3.192 2.323 -3.358 157 HG2 ARG 20 HG2 ARG 20 -2.003 3.848 -4.583 158 HG3 ARG 20 HG3 ARG 20 -0.863 2.510 -4.577 159 HD2 ARG 20 HD2 ARG 20 -0.945 3.335 -6.802 160 HD3 ARG 20 HD3 ARG 20 -1.884 1.828 -6.772 161 HE ARG 20 HE ARG 20 -3.902 3.127 -6.763 162 HH11 ARG 20 HH11 ARG 20 -1.013 4.910 -7.728 163 HH12 ARG 20 HH12 ARG 20 -1.911 6.144 -8.552 164 HH21 ARG 20 HH21 ARG 20 -5.041 4.767 -7.817 165 HH22 ARG 20 HH22 ARG 20 -4.195 6.062 -8.604 166 H GLN 21 H GLN 21 -4.164 -0.712 -5.676 167 HA GLN 21 HA GLN 21 -6.335 -1.141 -3.992 168 HB2 GLN 21 HB2 GLN 21 -5.467 -2.629 -6.494 169 HB3 GLN 21 HB3 GLN 21 -7.011 -2.918 -5.697 170 HG2 GLN 21 HG2 GLN 21 -7.747 -0.658 -6.170 171 HG3 GLN 21 HG3 GLN 21 -6.156 -0.229 -6.804 172 HE21 GLN 21 HE21 GLN 21 -7.005 0.350 -8.834 173 HE22 GLN 21 HE22 GLN 21 -7.591 -0.821 -9.963 174 H ARG 22 H ARG 22 -3.485 -3.088 -4.693 175 HA ARG 22 HA ARG 22 -4.222 -5.440 -3.191 176 HB2 ARG 22 HB2 ARG 22 -1.588 -4.438 -4.342 177 HB3 ARG 22 HB3 ARG 22 -1.701 -5.938 -3.443 178 HG2 ARG 22 HG2 ARG 22 -3.157 -6.906 -5.125 179 HG3 ARG 22 HG3 ARG 22 -3.216 -5.377 -6.007 180 HD2 ARG 22 HD2 ARG 22 -0.898 -5.529 -6.604 181 HD3 ARG 22 HD3 ARG 22 -0.620 -6.857 -5.473 182 HE ARG 22 HE ARG 22 -2.520 -7.746 -7.299 183 HH11 ARG 22 HH11 ARG 22 0.845 -6.703 -7.404 184 HH12 ARG 22 HH12 ARG 22 1.245 -7.716 -8.759 185 HH21 ARG 22 HH21 ARG 22 -1.957 -9.121 -9.026 186 HH22 ARG 22 HH22 ARG 22 -0.346 -9.084 -9.674 187 H LEU 23 H LEU 23 -2.397 -2.471 -2.570 188 HA LEU 23 HA LEU 23 -1.077 -3.401 -0.200 189 HB2 LEU 23 HB2 LEU 23 -1.405 -0.578 -1.293 190 HB3 LEU 23 HB3 LEU 23 -0.289 -1.058 -0.031 191 HG LEU 23 HG LEU 23 -0.191 -2.018 -2.901 192 HD11 LEU 23 HD11 LEU 23 0.480 0.320 -2.742 193 HD12 LEU 23 HD12 LEU 23 1.829 -0.725 -3.188 194 HD13 LEU 23 HD13 LEU 23 1.698 -0.110 -1.536 195 HD21 LEU 23 HD21 LEU 23 1.930 -3.070 -2.360 196 HD22 LEU 23 HD22 LEU 23 0.620 -3.741 -1.394 197 HD23 LEU 23 HD23 LEU 23 1.754 -2.596 -0.670 198 H GLU 24 H GLU 24 -3.762 -1.092 -0.792 199 HA GLU 24 HA GLU 24 -4.474 -0.648 1.888 200 HB2 GLU 24 HB2 GLU 24 -6.579 0.228 1.081 201 HB3 GLU 24 HB3 GLU 24 -5.326 0.719 -0.054 202 HG2 GLU 24 HG2 GLU 24 -6.024 -0.967 -1.655 203 HG3 GLU 24 HG3 GLU 24 -7.153 -1.664 -0.496 204 H LYS 25 H LYS 25 -5.197 -3.286 -0.331 205 HA LYS 25 HA LYS 25 -7.391 -4.441 1.038 206 HB2 LYS 25 HB2 LYS 25 -6.819 -4.996 -1.310 207 HB3 LYS 25 HB3 LYS 25 -5.314 -5.740 -0.790 208 HG2 LYS 25 HG2 LYS 25 -7.013 -7.432 -1.353 209 HG3 LYS 25 HG3 LYS 25 -6.556 -7.528 0.350 210 HD2 LYS 25 HD2 LYS 25 -8.984 -7.785 0.091 211 HD3 LYS 25 HD3 LYS 25 -8.618 -6.302 0.973 212 HE2 LYS 25 HE2 LYS 25 -8.858 -5.069 -1.255 213 HE3 LYS 25 HE3 LYS 25 -9.490 -6.575 -1.923 214 HZ1 LYS 25 HZ1 LYS 25 -10.648 -4.981 0.288 215 HZ2 LYS 25 HZ2 LYS 25 -11.217 -6.497 -0.182 216 HZ3 LYS 25 HZ3 LYS 25 -11.291 -5.196 -1.259 217 H MET 26 H MET 26 -3.908 -4.965 1.171 218 HA MET 26 HA MET 26 -3.939 -6.954 3.234 219 HB2 MET 26 HB2 MET 26 -1.738 -5.163 2.129 220 HB3 MET 26 HB3 MET 26 -1.468 -6.443 3.301 221 HG2 MET 26 HG2 MET 26 -2.643 -6.963 0.566 222 HG3 MET 26 HG3 MET 26 -0.919 -7.008 0.906 223 HE1 MET 26 HE1 MET 26 -4.111 -9.123 0.693 224 HE2 MET 26 HE2 MET 26 -4.360 -8.555 2.344 225 HE3 MET 26 HE3 MET 26 -3.990 -10.251 2.044 226 H CYS 27 H CYS 27 -3.728 -3.471 3.115 227 HA CYS 27 HA CYS 27 -2.780 -2.975 5.756 228 HB2 CYS 27 HB2 CYS 27 -2.447 -1.399 3.904 229 HB3 CYS 27 HB3 CYS 27 -4.182 -1.161 3.756 230 H LYS 28 H LYS 28 -5.932 -3.503 4.386 231 HA LYS 28 HA LYS 28 -7.335 -2.666 6.850 232 HB2 LYS 28 HB2 LYS 28 -8.469 -3.485 4.129 233 HB3 LYS 28 HB3 LYS 28 -9.408 -2.896 5.501 234 HG2 LYS 28 HG2 LYS 28 -8.441 -0.694 5.320 235 HG3 LYS 28 HG3 LYS 28 -7.270 -1.251 4.115 236 HD2 LYS 28 HD2 LYS 28 -9.217 -1.798 2.595 237 HD3 LYS 28 HD3 LYS 28 -10.286 -1.031 3.773 238 HE2 LYS 28 HE2 LYS 28 -9.017 1.095 3.473 239 HE3 LYS 28 HE3 LYS 28 -8.029 0.292 2.242 240 HZ1 LYS 28 HZ1 LYS 28 -10.981 0.484 2.050 241 HZ2 LYS 28 HZ2 LYS 28 -9.884 0.069 0.830 242 HZ3 LYS 28 HZ3 LYS 28 -9.947 1.656 1.412 243 H GLU 29 H GLU 29 -7.533 -5.306 4.448 244 HA GLU 29 HA GLU 29 -8.474 -7.201 6.479 245 HB2 GLU 29 HB2 GLU 29 -8.258 -7.541 3.447 246 HB3 GLU 29 HB3 GLU 29 -9.054 -8.648 4.566 247 HG2 GLU 29 HG2 GLU 29 -10.649 -6.808 5.165 248 HG3 GLU 29 HG3 GLU 29 -9.897 -5.807 3.927 249 H GLY 30 H GLY 30 -6.433 -7.166 7.544 250 HA2 GLY 30 HA2 GLY 30 -4.717 -9.203 7.543 251 HA3 GLY 30 HA3 GLY 30 -4.024 -8.226 6.242 252 H THR 31 H THR 31 -2.322 -7.091 7.039 253 HA THR 31 HA THR 31 -2.877 -5.125 9.158 254 HB THR 31 HB THR 31 -0.399 -5.395 9.954 255 HG1 THR 31 HG1 THR 31 -0.442 -7.304 8.123 256 HG21 THR 31 HG21 THR 31 -2.345 -6.018 11.382 257 HG22 THR 31 HG22 THR 31 -0.952 -7.071 11.636 258 HG23 THR 31 HG23 THR 31 -2.318 -7.637 10.674 259 H SER 32 H SER 32 -1.664 -3.187 8.924 260 HA SER 32 HA SER 32 -1.033 -2.314 6.332 261 HB2 SER 32 HB2 SER 32 -0.112 -1.056 8.953 262 HB3 SER 32 HB3 SER 32 -0.290 -0.238 7.398 263 HG SER 32 HG SER 32 -2.343 -0.002 7.805 264 H GLU 33 H GLU 33 0.839 -4.117 8.550 265 HA GLU 33 HA GLU 33 3.473 -3.639 7.770 266 HB2 GLU 33 HB2 GLU 33 2.182 -6.281 8.569 267 HB3 GLU 33 HB3 GLU 33 3.910 -5.943 8.576 268 HG2 GLU 33 HG2 GLU 33 1.833 -4.590 10.313 269 HG3 GLU 33 HG3 GLU 33 2.942 -5.856 10.830 270 H ASP 34 H ASP 34 1.118 -6.038 6.444 271 HA ASP 34 HA ASP 34 2.775 -7.171 4.468 272 HB2 ASP 34 HB2 ASP 34 -0.259 -6.856 4.341 273 HB3 ASP 34 HB3 ASP 34 0.694 -7.984 3.384 274 H ALA 35 H ALA 35 0.620 -4.435 4.440 275 HA ALA 35 HA ALA 35 0.588 -3.712 1.750 276 HB1 ALA 35 HB1 ALA 35 -0.958 -2.817 3.429 277 HB2 ALA 35 HB2 ALA 35 -0.145 -1.512 2.560 278 HB3 ALA 35 HB3 ALA 35 0.361 -1.938 4.199 279 H GLU 36 H GLU 36 2.761 -2.559 4.384 280 HA GLU 36 HA GLU 36 4.118 -0.690 2.691 281 HB2 GLU 36 HB2 GLU 36 5.602 -0.262 4.591 282 HB3 GLU 36 HB3 GLU 36 3.928 -0.321 5.128 283 HG2 GLU 36 HG2 GLU 36 4.266 -2.588 6.008 284 HG3 GLU 36 HG3 GLU 36 5.926 -2.585 5.423 285 H ARG 37 H ARG 37 4.760 -4.028 3.650 286 HA ARG 37 HA ARG 37 7.458 -4.181 2.723 287 HB2 ARG 37 HB2 ARG 37 5.458 -6.474 2.938 288 HB3 ARG 37 HB3 ARG 37 7.208 -6.632 2.814 289 HG2 ARG 37 HG2 ARG 37 5.624 -5.538 5.145 290 HG3 ARG 37 HG3 ARG 37 6.566 -7.019 5.095 291 HD2 ARG 37 HD2 ARG 37 8.642 -5.732 4.978 292 HD3 ARG 37 HD3 ARG 37 7.735 -4.217 4.885 293 HE ARG 37 HE ARG 37 7.075 -5.713 7.230 294 HH11 ARG 37 HH11 ARG 37 9.532 -3.528 5.951 295 HH12 ARG 37 HH12 ARG 37 10.008 -2.969 7.525 296 HH21 ARG 37 HH21 ARG 37 7.720 -4.966 9.265 297 HH22 ARG 37 HH22 ARG 37 8.982 -3.783 9.394 298 H MET 38 H MET 38 4.304 -4.776 1.188 299 HA MET 38 HA MET 38 5.453 -5.639 -1.321 300 HB2 MET 38 HB2 MET 38 2.600 -4.932 -0.527 301 HB3 MET 38 HB3 MET 38 3.048 -5.489 -2.132 302 HG2 MET 38 HG2 MET 38 3.528 -7.133 0.359 303 HG3 MET 38 HG3 MET 38 2.039 -7.212 -0.568 304 HE1 MET 38 HE1 MET 38 5.605 -8.623 -0.158 305 HE2 MET 38 HE2 MET 38 6.024 -7.379 -1.335 306 HE3 MET 38 HE3 MET 38 6.083 -9.079 -1.794 307 H ALA 39 H ALA 39 4.461 -2.605 0.132 308 HA ALA 39 HA ALA 39 4.027 -1.049 -2.207 309 HB1 ALA 39 HB1 ALA 39 4.155 0.900 -0.704 310 HB2 ALA 39 HB2 ALA 39 4.819 -0.119 0.578 311 HB3 ALA 39 HB3 ALA 39 3.171 -0.383 0.005 312 H ARG 40 H ARG 40 6.859 -1.400 -0.089 313 HA ARG 40 HA ARG 40 8.559 0.384 -1.534 314 HB2 ARG 40 HB2 ARG 40 10.375 -0.546 -0.116 315 HB3 ARG 40 HB3 ARG 40 8.957 -0.083 0.816 316 HG2 ARG 40 HG2 ARG 40 8.259 -2.492 0.872 317 HG3 ARG 40 HG3 ARG 40 9.769 -2.907 0.059 318 HD2 ARG 40 HD2 ARG 40 9.560 -1.532 2.756 319 HD3 ARG 40 HD3 ARG 40 9.859 -3.257 2.509 320 HE ARG 40 HE ARG 40 11.821 -1.975 1.070 321 HH11 ARG 40 HH11 ARG 40 10.836 -2.029 4.444 322 HH12 ARG 40 HH12 ARG 40 12.434 -1.717 5.046 323 HH21 ARG 40 HH21 ARG 40 13.914 -1.555 1.860 324 HH22 ARG 40 HH22 ARG 40 14.182 -1.444 3.573 325 H ASN 41 H ASN 41 7.899 -3.066 -1.759 326 HA ASN 41 HA ASN 41 10.036 -3.576 -3.691 327 HB2 ASN 41 HB2 ASN 41 7.927 -5.327 -2.388 328 HB3 ASN 41 HB3 ASN 41 8.762 -5.897 -3.827 329 HD21 ASN 41 HD21 ASN 41 9.071 -5.278 -0.425 330 HD22 ASN 41 HD22 ASN 41 10.652 -5.934 -0.254 331 H CYS 42 H CYS 42 6.848 -2.424 -3.772 332 HA CYS 42 HA CYS 42 6.213 -3.148 -6.503 333 HB2 CYS 42 HB2 CYS 42 4.474 -2.695 -4.722 334 HB3 CYS 42 HB3 CYS 42 4.938 -1.007 -4.751 335 H GLU 43 H GLU 43 6.436 0.108 -5.041 336 HA GLU 43 HA GLU 43 6.824 2.128 -5.998 337 HB2 GLU 43 HB2 GLU 43 8.932 1.461 -4.875 338 HB3 GLU 43 HB3 GLU 43 9.541 0.828 -6.406 339 HG2 GLU 43 HG2 GLU 43 9.356 3.128 -7.386 340 HG3 GLU 43 HG3 GLU 43 8.843 3.730 -5.811 341 H SER 44 H SER 44 5.505 2.242 -7.745 342 HA SER 44 HA SER 44 4.854 2.711 -9.836 343 HB2 SER 44 HB2 SER 44 7.071 3.896 -10.060 344 HB3 SER 44 HB3 SER 44 7.762 2.410 -10.719 345 HG SER 44 HG SER 44 5.815 2.650 -12.246 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -5.228 4.052 14.264 2 H2 ALA 1 H2 ALA 1 -4.829 5.691 14.317 3 H3 ALA 1 H3 ALA 1 -3.688 4.560 13.790 4 HA ALA 1 HA ALA 1 -6.213 5.274 12.430 5 HB1 ALA 1 HB1 ALA 1 -4.733 6.221 10.681 6 HB2 ALA 1 HB2 ALA 1 -3.320 5.795 11.651 7 HB3 ALA 1 HB3 ALA 1 -4.462 7.001 12.242 8 HA PRO 2 HA PRO 2 -5.919 1.071 10.862 9 HB2 PRO 2 HB2 PRO 2 -7.626 1.944 8.565 10 HB3 PRO 2 HB3 PRO 2 -7.970 0.749 9.834 11 HG2 PRO 2 HG2 PRO 2 -9.226 3.103 9.821 12 HG3 PRO 2 HG3 PRO 2 -8.710 2.355 11.353 13 HD2 PRO 2 HD2 PRO 2 -7.340 4.555 9.789 14 HD3 PRO 2 HD3 PRO 2 -7.691 4.465 11.532 15 H CYS 3 H CYS 3 -5.992 3.304 8.058 16 HA CYS 3 HA CYS 3 -3.478 2.195 6.995 17 HB2 CYS 3 HB2 CYS 3 -6.058 2.340 5.351 18 HB3 CYS 3 HB3 CYS 3 -4.492 1.754 4.790 19 H GLU 4 H GLU 4 -4.523 4.843 8.126 20 HA GLU 4 HA GLU 4 -5.160 6.660 6.081 21 HB2 GLU 4 HB2 GLU 4 -4.096 7.088 8.893 22 HB3 GLU 4 HB3 GLU 4 -4.522 8.436 7.845 23 HG2 GLU 4 HG2 GLU 4 -6.434 6.243 8.707 24 HG3 GLU 4 HG3 GLU 4 -6.313 7.831 9.463 25 H ASP 5 H ASP 5 -1.994 6.192 7.717 26 HA ASP 5 HA ASP 5 -0.593 8.185 6.249 27 HB2 ASP 5 HB2 ASP 5 0.441 5.745 7.753 28 HB3 ASP 5 HB3 ASP 5 1.475 7.031 7.140 29 H LEU 6 H LEU 6 -1.085 4.743 5.839 30 HA LEU 6 HA LEU 6 0.791 4.274 3.760 31 HB2 LEU 6 HB2 LEU 6 -0.227 2.639 5.423 32 HB3 LEU 6 HB3 LEU 6 -1.683 2.652 4.449 33 HG LEU 6 HG LEU 6 0.934 1.891 3.113 34 HD11 LEU 6 HD11 LEU 6 -0.715 -0.002 4.798 35 HD12 LEU 6 HD12 LEU 6 0.888 0.617 5.210 36 HD13 LEU 6 HD13 LEU 6 0.684 -0.417 3.800 37 HD21 LEU 6 HD21 LEU 6 -1.928 0.924 2.720 38 HD22 LEU 6 HD22 LEU 6 -0.531 0.404 1.772 39 HD23 LEU 6 HD23 LEU 6 -1.075 2.077 1.692 40 H LYS 7 H LYS 7 -2.605 5.119 3.847 41 HA LYS 7 HA LYS 7 -3.358 4.762 1.155 42 HB2 LYS 7 HB2 LYS 7 -4.992 5.020 2.933 43 HB3 LYS 7 HB3 LYS 7 -4.346 6.595 3.368 44 HG2 LYS 7 HG2 LYS 7 -5.159 7.470 1.141 45 HG3 LYS 7 HG3 LYS 7 -5.925 5.897 0.871 46 HD2 LYS 7 HD2 LYS 7 -7.548 7.558 1.768 47 HD3 LYS 7 HD3 LYS 7 -7.327 6.203 2.879 48 HE2 LYS 7 HE2 LYS 7 -5.767 7.605 4.240 49 HE3 LYS 7 HE3 LYS 7 -6.035 8.951 3.131 50 HZ1 LYS 7 HZ1 LYS 7 -8.380 8.919 3.759 51 HZ2 LYS 7 HZ2 LYS 7 -7.387 9.170 5.103 52 HZ3 LYS 7 HZ3 LYS 7 -8.092 7.655 4.840 53 H GLU 8 H GLU 8 -1.943 7.478 2.909 54 HA GLU 8 HA GLU 8 -1.905 9.230 0.625 55 HB2 GLU 8 HB2 GLU 8 -0.472 9.491 3.292 56 HB3 GLU 8 HB3 GLU 8 -0.659 10.767 2.090 57 HG2 GLU 8 HG2 GLU 8 -2.866 9.435 3.678 58 HG3 GLU 8 HG3 GLU 8 -2.275 11.078 3.887 59 H ARG 9 H ARG 9 0.320 6.902 2.063 60 HA ARG 9 HA ARG 9 2.634 7.573 0.541 61 HB2 ARG 9 HB2 ARG 9 1.720 4.939 1.770 62 HB3 ARG 9 HB3 ARG 9 3.265 5.111 0.939 63 HG2 ARG 9 HG2 ARG 9 4.033 6.725 2.569 64 HG3 ARG 9 HG3 ARG 9 2.454 6.747 3.358 65 HD2 ARG 9 HD2 ARG 9 2.723 4.403 4.025 66 HD3 ARG 9 HD3 ARG 9 4.273 4.317 3.176 67 HE ARG 9 HE ARG 9 4.667 6.363 4.871 68 HH11 ARG 9 HH11 ARG 9 3.561 3.062 5.412 69 HH12 ARG 9 HH12 ARG 9 4.193 2.973 7.021 70 HH21 ARG 9 HH21 ARG 9 5.462 6.265 6.989 71 HH22 ARG 9 HH22 ARG 9 5.281 4.810 7.915 72 H LEU 10 H LEU 10 -0.278 5.729 -0.200 73 HA LEU 10 HA LEU 10 0.572 4.396 -2.536 74 HB2 LEU 10 HB2 LEU 10 -2.207 5.456 -1.881 75 HB3 LEU 10 HB3 LEU 10 -1.842 4.263 -3.116 76 HG LEU 10 HG LEU 10 -1.596 3.893 -0.110 77 HD11 LEU 10 HD11 LEU 10 -3.432 2.559 -2.104 78 HD12 LEU 10 HD12 LEU 10 -3.884 3.776 -0.905 79 HD13 LEU 10 HD13 LEU 10 -3.319 2.194 -0.378 80 HD21 LEU 10 HD21 LEU 10 -0.828 1.948 -2.301 81 HD22 LEU 10 HD22 LEU 10 -0.934 1.564 -0.582 82 HD23 LEU 10 HD23 LEU 10 0.259 2.727 -1.147 83 H LYS 11 H LYS 11 -0.996 7.562 -2.090 84 HA LYS 11 HA LYS 11 -0.792 8.230 -4.901 85 HB2 LYS 11 HB2 LYS 11 -1.889 10.383 -4.229 86 HB3 LYS 11 HB3 LYS 11 -2.788 8.936 -3.833 87 HG2 LYS 11 HG2 LYS 11 -3.126 10.221 -1.936 88 HG3 LYS 11 HG3 LYS 11 -1.766 9.217 -1.440 89 HD2 LYS 11 HD2 LYS 11 -1.463 11.562 -0.732 90 HD3 LYS 11 HD3 LYS 11 -0.210 11.090 -1.882 91 HE2 LYS 11 HE2 LYS 11 -1.444 12.260 -3.688 92 HE3 LYS 11 HE3 LYS 11 -2.703 12.708 -2.537 93 HZ1 LYS 11 HZ1 LYS 11 -1.128 14.023 -1.327 94 HZ2 LYS 11 HZ2 LYS 11 -1.109 14.500 -2.949 95 HZ3 LYS 11 HZ3 LYS 11 0.139 13.537 -2.334 96 H LYS 12 H LYS 12 1.136 8.833 -2.048 97 HA LYS 12 HA LYS 12 2.564 11.152 -3.001 98 HB2 LYS 12 HB2 LYS 12 2.328 10.642 -0.597 99 HB3 LYS 12 HB3 LYS 12 3.268 9.164 -0.808 100 HG2 LYS 12 HG2 LYS 12 5.255 10.512 -1.415 101 HG3 LYS 12 HG3 LYS 12 4.313 11.994 -1.224 102 HD2 LYS 12 HD2 LYS 12 4.928 9.980 0.966 103 HD3 LYS 12 HD3 LYS 12 5.715 11.543 0.758 104 HE2 LYS 12 HE2 LYS 12 3.485 12.654 1.113 105 HE3 LYS 12 HE3 LYS 12 2.787 11.069 1.439 106 HZ1 LYS 12 HZ1 LYS 12 4.256 10.853 3.332 107 HZ2 LYS 12 HZ2 LYS 12 3.317 12.250 3.465 108 HZ3 LYS 12 HZ3 LYS 12 4.945 12.361 3.013 109 H LEU 13 H LEU 13 3.243 7.703 -2.782 110 HA LEU 13 HA LEU 13 5.911 7.888 -3.865 111 HB2 LEU 13 HB2 LEU 13 4.921 6.209 -2.137 112 HB3 LEU 13 HB3 LEU 13 4.237 5.370 -3.510 113 HG LEU 13 HG LEU 13 7.245 5.817 -3.268 114 HD11 LEU 13 HD11 LEU 13 6.466 4.699 -1.204 115 HD12 LEU 13 HD12 LEU 13 7.447 3.625 -2.206 116 HD13 LEU 13 HD13 LEU 13 5.690 3.446 -2.182 117 HD21 LEU 13 HD21 LEU 13 7.385 3.814 -4.714 118 HD22 LEU 13 HD22 LEU 13 6.454 5.097 -5.483 119 HD23 LEU 13 HD23 LEU 13 5.620 3.722 -4.759 120 H GLY 14 H GLY 14 2.654 7.476 -5.003 121 HA2 GLY 14 HA2 GLY 14 1.680 7.368 -7.056 122 HA3 GLY 14 HA3 GLY 14 3.153 8.105 -7.666 123 H MET 15 H MET 15 2.560 4.936 -6.194 124 HA MET 15 HA MET 15 4.209 3.557 -8.114 125 HB2 MET 15 HB2 MET 15 3.730 1.571 -6.789 126 HB3 MET 15 HB3 MET 15 4.041 2.907 -5.697 127 HG2 MET 15 HG2 MET 15 1.533 3.163 -5.463 128 HG3 MET 15 HG3 MET 15 1.378 1.664 -6.369 129 HE1 MET 15 HE1 MET 15 2.541 3.329 -2.995 130 HE2 MET 15 HE2 MET 15 4.075 2.701 -3.607 131 HE3 MET 15 HE3 MET 15 3.319 1.968 -2.190 132 H SER 16 H SER 16 3.014 1.217 -8.729 133 HA SER 16 HA SER 16 1.246 1.705 -10.847 134 HB2 SER 16 HB2 SER 16 1.586 -0.888 -9.284 135 HB3 SER 16 HB3 SER 16 0.989 -0.733 -10.939 136 HG SER 16 HG SER 16 3.213 0.423 -11.136 137 H GLU 17 H GLU 17 -0.979 1.778 -10.973 138 HA GLU 17 HA GLU 17 -2.498 2.498 -8.713 139 HB2 GLU 17 HB2 GLU 17 -3.502 1.566 -11.436 140 HB3 GLU 17 HB3 GLU 17 -4.477 2.393 -10.221 141 HG2 GLU 17 HG2 GLU 17 -2.890 4.344 -10.382 142 HG3 GLU 17 HG3 GLU 17 -2.106 3.531 -11.734 143 H GLU 18 H GLU 18 -1.970 -0.572 -10.285 144 HA GLU 18 HA GLU 18 -4.104 -2.037 -9.092 145 HB2 GLU 18 HB2 GLU 18 -3.140 -2.825 -11.184 146 HB3 GLU 18 HB3 GLU 18 -1.535 -2.934 -10.465 147 HG2 GLU 18 HG2 GLU 18 -2.262 -4.780 -9.025 148 HG3 GLU 18 HG3 GLU 18 -3.916 -4.623 -9.612 149 H CYS 19 H CYS 19 -0.676 -1.465 -8.355 150 HA CYS 19 HA CYS 19 -0.330 -3.215 -6.210 151 HB2 CYS 19 HB2 CYS 19 0.902 -0.512 -6.820 152 HB3 CYS 19 HB3 CYS 19 1.418 -1.488 -5.464 153 H ARG 20 H ARG 20 -1.382 0.212 -6.259 154 HA ARG 20 HA ARG 20 -1.546 0.736 -3.523 155 HB2 ARG 20 HB2 ARG 20 -3.417 1.824 -5.685 156 HB3 ARG 20 HB3 ARG 20 -3.095 2.555 -4.111 157 HG2 ARG 20 HG2 ARG 20 -0.709 2.848 -4.805 158 HG3 ARG 20 HG3 ARG 20 -1.155 2.270 -6.415 159 HD2 ARG 20 HD2 ARG 20 -2.339 4.683 -5.024 160 HD3 ARG 20 HD3 ARG 20 -1.094 4.731 -6.270 161 HE ARG 20 HE ARG 20 -3.507 3.392 -7.086 162 HH11 ARG 20 HH11 ARG 20 -1.964 6.561 -6.861 163 HH12 ARG 20 HH12 ARG 20 -2.969 7.263 -8.087 164 HH21 ARG 20 HH21 ARG 20 -4.845 4.354 -8.645 165 HH22 ARG 20 HH22 ARG 20 -4.604 6.012 -9.102 166 H GLN 21 H GLN 21 -4.033 -0.459 -5.716 167 HA GLN 21 HA GLN 21 -6.148 -0.618 -3.849 168 HB2 GLN 21 HB2 GLN 21 -5.785 -2.122 -6.476 169 HB3 GLN 21 HB3 GLN 21 -7.310 -1.923 -5.609 170 HG2 GLN 21 HG2 GLN 21 -7.323 0.444 -5.987 171 HG3 GLN 21 HG3 GLN 21 -5.664 0.429 -6.573 172 HE21 GLN 21 HE21 GLN 21 -6.043 1.328 -8.535 173 HE22 GLN 21 HE22 GLN 21 -6.995 0.608 -9.780 174 H ARG 22 H ARG 22 -3.756 -3.036 -4.947 175 HA ARG 22 HA ARG 22 -4.612 -5.239 -3.395 176 HB2 ARG 22 HB2 ARG 22 -2.059 -4.489 -4.784 177 HB3 ARG 22 HB3 ARG 22 -1.869 -5.618 -3.456 178 HG2 ARG 22 HG2 ARG 22 -2.026 -6.913 -5.436 179 HG3 ARG 22 HG3 ARG 22 -3.546 -7.116 -4.567 180 HD2 ARG 22 HD2 ARG 22 -4.635 -5.505 -6.103 181 HD3 ARG 22 HD3 ARG 22 -3.108 -5.306 -6.970 182 HE ARG 22 HE ARG 22 -3.563 -7.997 -7.010 183 HH11 ARG 22 HH11 ARG 22 -5.466 -5.249 -8.091 184 HH12 ARG 22 HH12 ARG 22 -6.238 -6.137 -9.362 185 HH21 ARG 22 HH21 ARG 22 -4.497 -9.123 -8.714 186 HH22 ARG 22 HH22 ARG 22 -5.680 -8.350 -9.719 187 H LEU 23 H LEU 23 -2.633 -2.397 -2.608 188 HA LEU 23 HA LEU 23 -1.560 -3.465 -0.166 189 HB2 LEU 23 HB2 LEU 23 -1.619 -0.612 -1.203 190 HB3 LEU 23 HB3 LEU 23 -0.641 -1.198 0.123 191 HG LEU 23 HG LEU 23 -0.376 -1.983 -2.777 192 HD11 LEU 23 HD11 LEU 23 0.520 0.182 -2.355 193 HD12 LEU 23 HD12 LEU 23 1.815 -0.964 -2.676 194 HD13 LEU 23 HD13 LEU 23 1.493 -0.437 -1.018 195 HD21 LEU 23 HD21 LEU 23 1.181 -3.082 -0.438 196 HD22 LEU 23 HD22 LEU 23 1.578 -3.328 -2.138 197 HD23 LEU 23 HD23 LEU 23 0.073 -3.964 -1.489 198 H GLU 24 H GLU 24 -4.228 -1.244 -0.977 199 HA GLU 24 HA GLU 24 -5.114 -0.696 1.623 200 HB2 GLU 24 HB2 GLU 24 -6.710 -1.052 -0.943 201 HB3 GLU 24 HB3 GLU 24 -7.423 -0.519 0.578 202 HG2 GLU 24 HG2 GLU 24 -5.590 1.369 0.470 203 HG3 GLU 24 HG3 GLU 24 -5.512 0.946 -1.239 204 H LYS 25 H LYS 25 -5.548 -3.502 -0.485 205 HA LYS 25 HA LYS 25 -7.462 -4.845 1.165 206 HB2 LYS 25 HB2 LYS 25 -7.403 -5.331 -1.196 207 HB3 LYS 25 HB3 LYS 25 -5.702 -5.772 -1.142 208 HG2 LYS 25 HG2 LYS 25 -6.197 -7.815 0.075 209 HG3 LYS 25 HG3 LYS 25 -7.885 -7.345 0.275 210 HD2 LYS 25 HD2 LYS 25 -6.517 -7.989 -2.365 211 HD3 LYS 25 HD3 LYS 25 -7.612 -9.055 -1.484 212 HE2 LYS 25 HE2 LYS 25 -8.317 -6.399 -2.780 213 HE3 LYS 25 HE3 LYS 25 -8.831 -8.003 -3.294 214 HZ1 LYS 25 HZ1 LYS 25 -9.567 -6.702 -0.731 215 HZ2 LYS 25 HZ2 LYS 25 -10.081 -8.226 -1.246 216 HZ3 LYS 25 HZ3 LYS 25 -10.563 -6.842 -2.090 217 H MET 26 H MET 26 -3.926 -4.957 0.890 218 HA MET 26 HA MET 26 -3.532 -7.197 2.633 219 HB2 MET 26 HB2 MET 26 -1.617 -4.997 1.769 220 HB3 MET 26 HB3 MET 26 -1.145 -6.434 2.660 221 HG2 MET 26 HG2 MET 26 -2.344 -6.457 -0.120 222 HG3 MET 26 HG3 MET 26 -0.626 -6.531 0.232 223 HE1 MET 26 HE1 MET 26 -3.635 -9.996 0.512 224 HE2 MET 26 HE2 MET 26 -3.860 -8.459 -0.331 225 HE3 MET 26 HE3 MET 26 -3.989 -8.537 1.427 226 H CYS 27 H CYS 27 -3.856 -3.750 3.060 227 HA CYS 27 HA CYS 27 -2.984 -3.643 5.787 228 HB2 CYS 27 HB2 CYS 27 -2.934 -1.673 4.270 229 HB3 CYS 27 HB3 CYS 27 -4.693 -1.674 4.224 230 H LYS 28 H LYS 28 -6.152 -3.771 4.161 231 HA LYS 28 HA LYS 28 -7.678 -3.421 6.595 232 HB2 LYS 28 HB2 LYS 28 -8.547 -4.035 3.731 233 HB3 LYS 28 HB3 LYS 28 -9.663 -3.678 5.050 234 HG2 LYS 28 HG2 LYS 28 -8.845 -1.420 5.247 235 HG3 LYS 28 HG3 LYS 28 -7.499 -1.749 4.151 236 HD2 LYS 28 HD2 LYS 28 -9.244 -2.173 2.321 237 HD3 LYS 28 HD3 LYS 28 -10.458 -1.543 3.442 238 HE2 LYS 28 HE2 LYS 28 -9.228 0.596 3.559 239 HE3 LYS 28 HE3 LYS 28 -8.010 -0.049 2.455 240 HZ1 LYS 28 HZ1 LYS 28 -9.569 1.371 1.312 241 HZ2 LYS 28 HZ2 LYS 28 -10.872 0.406 1.798 242 HZ3 LYS 28 HZ3 LYS 28 -9.699 -0.215 0.750 243 H GLU 29 H GLU 29 -6.807 -6.094 4.483 244 HA GLU 29 HA GLU 29 -8.317 -8.040 6.142 245 HB2 GLU 29 HB2 GLU 29 -7.258 -8.325 3.290 246 HB3 GLU 29 HB3 GLU 29 -8.141 -9.562 4.180 247 HG2 GLU 29 HG2 GLU 29 -10.115 -8.021 4.283 248 HG3 GLU 29 HG3 GLU 29 -9.220 -6.871 3.291 249 H GLY 30 H GLY 30 -5.620 -6.773 6.626 250 HA2 GLY 30 HA2 GLY 30 -4.360 -9.131 7.710 251 HA3 GLY 30 HA3 GLY 30 -3.419 -8.392 6.408 252 H THR 31 H THR 31 -2.022 -6.854 7.030 253 HA THR 31 HA THR 31 -2.744 -4.936 9.151 254 HB THR 31 HB THR 31 -0.378 -4.943 10.042 255 HG1 THR 31 HG1 THR 31 -0.168 -7.228 8.387 256 HG21 THR 31 HG21 THR 31 -0.523 -6.981 11.428 257 HG22 THR 31 HG22 THR 31 -1.760 -7.630 10.350 258 HG23 THR 31 HG23 THR 31 -2.098 -6.192 11.315 259 H SER 32 H SER 32 -1.694 -2.886 8.884 260 HA SER 32 HA SER 32 -1.091 -2.048 6.252 261 HB2 SER 32 HB2 SER 32 -0.392 0.102 7.337 262 HB3 SER 32 HB3 SER 32 -1.959 -0.472 7.913 263 HG SER 32 HG SER 32 0.330 -0.045 9.292 264 H GLU 33 H GLU 33 0.891 -3.305 8.839 265 HA GLU 33 HA GLU 33 3.472 -2.574 8.043 266 HB2 GLU 33 HB2 GLU 33 2.579 -5.175 9.364 267 HB3 GLU 33 HB3 GLU 33 4.221 -4.533 9.366 268 HG2 GLU 33 HG2 GLU 33 3.514 -2.622 10.722 269 HG3 GLU 33 HG3 GLU 33 1.834 -3.159 10.650 270 H ASP 34 H ASP 34 1.492 -5.416 7.106 271 HA ASP 34 HA ASP 34 3.399 -6.626 5.364 272 HB2 ASP 34 HB2 ASP 34 0.363 -6.907 5.451 273 HB3 ASP 34 HB3 ASP 34 1.402 -7.885 4.417 274 H ALA 35 H ALA 35 0.852 -4.247 4.908 275 HA ALA 35 HA ALA 35 0.694 -4.330 2.074 276 HB1 ALA 35 HB1 ALA 35 -0.172 -2.195 4.035 277 HB2 ALA 35 HB2 ALA 35 -1.145 -3.547 3.458 278 HB3 ALA 35 HB3 ALA 35 -0.653 -2.279 2.334 279 H GLU 36 H GLU 36 2.365 -2.043 4.305 280 HA GLU 36 HA GLU 36 3.566 -0.538 2.190 281 HB2 GLU 36 HB2 GLU 36 4.955 0.523 3.909 282 HB3 GLU 36 HB3 GLU 36 3.263 0.483 4.393 283 HG2 GLU 36 HG2 GLU 36 3.733 -1.437 5.881 284 HG3 GLU 36 HG3 GLU 36 5.428 -1.393 5.399 285 H ARG 37 H ARG 37 4.488 -3.443 3.942 286 HA ARG 37 HA ARG 37 7.148 -3.685 2.997 287 HB2 ARG 37 HB2 ARG 37 6.262 -5.017 4.874 288 HB3 ARG 37 HB3 ARG 37 5.159 -5.851 3.782 289 HG2 ARG 37 HG2 ARG 37 7.051 -6.884 2.608 290 HG3 ARG 37 HG3 ARG 37 8.191 -5.986 3.614 291 HD2 ARG 37 HD2 ARG 37 7.317 -7.159 5.619 292 HD3 ARG 37 HD3 ARG 37 6.229 -8.086 4.585 293 HE ARG 37 HE ARG 37 8.251 -9.025 3.507 294 HH11 ARG 37 HH11 ARG 37 8.533 -7.732 6.760 295 HH12 ARG 37 HH12 ARG 37 9.918 -8.695 7.157 296 HH21 ARG 37 HH21 ARG 37 10.072 -10.276 4.016 297 HH22 ARG 37 HH22 ARG 37 10.796 -10.149 5.588 298 H MET 38 H MET 38 4.014 -4.590 1.544 299 HA MET 38 HA MET 38 5.250 -5.776 -0.804 300 HB2 MET 38 HB2 MET 38 2.359 -5.003 -0.249 301 HB3 MET 38 HB3 MET 38 2.905 -5.857 -1.685 302 HG2 MET 38 HG2 MET 38 3.104 -6.912 1.150 303 HG3 MET 38 HG3 MET 38 1.863 -7.350 -0.016 304 HE1 MET 38 HE1 MET 38 5.859 -7.459 0.557 305 HE2 MET 38 HE2 MET 38 6.002 -9.208 0.390 306 HE3 MET 38 HE3 MET 38 4.962 -8.525 1.641 307 H ALA 39 H ALA 39 4.256 -2.589 0.200 308 HA ALA 39 HA ALA 39 3.947 -1.304 -2.305 309 HB1 ALA 39 HB1 ALA 39 4.192 0.788 -1.047 310 HB2 ALA 39 HB2 ALA 39 4.827 -0.103 0.341 311 HB3 ALA 39 HB3 ALA 39 3.158 -0.348 -0.177 312 H ARG 40 H ARG 40 6.733 -1.694 -0.166 313 HA ARG 40 HA ARG 40 8.604 -0.206 -1.712 314 HB2 ARG 40 HB2 ARG 40 10.284 -1.150 -0.214 315 HB3 ARG 40 HB3 ARG 40 8.869 -0.647 0.702 316 HG2 ARG 40 HG2 ARG 40 8.108 -2.992 0.806 317 HG3 ARG 40 HG3 ARG 40 9.556 -3.499 -0.070 318 HD2 ARG 40 HD2 ARG 40 9.494 -2.143 2.645 319 HD3 ARG 40 HD3 ARG 40 9.767 -3.862 2.362 320 HE ARG 40 HE ARG 40 11.750 -2.876 0.935 321 HH11 ARG 40 HH11 ARG 40 10.698 -1.835 4.133 322 HH12 ARG 40 HH12 ARG 40 12.276 -1.302 4.613 323 HH21 ARG 40 HH21 ARG 40 13.795 -2.157 1.546 324 HH22 ARG 40 HH22 ARG 40 14.052 -1.491 3.127 325 H ASN 41 H ASN 41 7.242 -3.291 -2.154 326 HA ASN 41 HA ASN 41 9.448 -4.333 -3.813 327 HB2 ASN 41 HB2 ASN 41 6.823 -5.610 -2.911 328 HB3 ASN 41 HB3 ASN 41 8.035 -6.411 -3.909 329 HD21 ASN 41 HD21 ASN 41 6.942 -6.903 -1.153 330 HD22 ASN 41 HD22 ASN 41 8.338 -7.108 -0.166 331 H CYS 42 H CYS 42 6.502 -2.611 -4.114 332 HA CYS 42 HA CYS 42 5.915 -3.385 -6.848 333 HB2 CYS 42 HB2 CYS 42 4.048 -2.695 -5.417 334 HB3 CYS 42 HB3 CYS 42 4.809 -1.134 -5.127 335 H GLU 43 H GLU 43 7.156 -0.453 -5.205 336 HA GLU 43 HA GLU 43 8.092 1.466 -5.884 337 HB2 GLU 43 HB2 GLU 43 10.002 0.059 -6.541 338 HB3 GLU 43 HB3 GLU 43 9.257 -0.275 -8.102 339 HG2 GLU 43 HG2 GLU 43 9.408 2.185 -8.626 340 HG3 GLU 43 HG3 GLU 43 10.308 2.408 -7.130 341 H SER 44 H SER 44 7.542 0.138 -9.140 342 HA SER 44 HA SER 44 5.183 1.394 -9.869 343 HB2 SER 44 HB2 SER 44 6.393 3.554 -9.618 344 HB3 SER 44 HB3 SER 44 7.655 3.003 -10.718 345 HG SER 44 HG SER 44 5.012 2.922 -11.620 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -2.692 5.827 12.567 2 H2 ALA 1 H2 ALA 1 -3.698 4.706 13.331 3 H3 ALA 1 H3 ALA 1 -4.105 6.344 13.342 4 HA ALA 1 HA ALA 1 -5.447 5.111 11.775 5 HB1 ALA 1 HB1 ALA 1 -3.502 7.051 10.494 6 HB2 ALA 1 HB2 ALA 1 -4.964 7.484 11.382 7 HB3 ALA 1 HB3 ALA 1 -5.089 6.607 9.857 8 HA PRO 2 HA PRO 2 -2.810 1.723 10.313 9 HB2 PRO 2 HB2 PRO 2 -4.771 0.034 9.388 10 HB3 PRO 2 HB3 PRO 2 -4.436 0.255 11.117 11 HG2 PRO 2 HG2 PRO 2 -6.599 1.501 9.447 12 HG3 PRO 2 HG3 PRO 2 -6.693 0.826 11.090 13 HD2 PRO 2 HD2 PRO 2 -6.505 3.512 10.627 14 HD3 PRO 2 HD3 PRO 2 -5.833 2.750 12.082 15 H CYS 3 H CYS 3 -5.350 3.097 8.198 16 HA CYS 3 HA CYS 3 -3.850 2.172 5.817 17 HB2 CYS 3 HB2 CYS 3 -6.822 2.639 6.205 18 HB3 CYS 3 HB3 CYS 3 -6.080 2.328 4.638 19 H GLU 4 H GLU 4 -4.758 5.079 7.482 20 HA GLU 4 HA GLU 4 -4.988 6.783 5.184 21 HB2 GLU 4 HB2 GLU 4 -4.503 7.410 8.109 22 HB3 GLU 4 HB3 GLU 4 -4.525 8.678 6.886 23 HG2 GLU 4 HG2 GLU 4 -6.838 7.984 6.257 24 HG3 GLU 4 HG3 GLU 4 -6.819 6.816 7.581 25 H ASP 5 H ASP 5 -2.271 6.106 7.420 26 HA ASP 5 HA ASP 5 -0.318 7.750 6.220 27 HB2 ASP 5 HB2 ASP 5 0.081 5.110 7.701 28 HB3 ASP 5 HB3 ASP 5 1.370 6.254 7.324 29 H LEU 6 H LEU 6 -1.394 4.499 5.521 30 HA LEU 6 HA LEU 6 0.596 3.887 3.566 31 HB2 LEU 6 HB2 LEU 6 -0.626 2.235 5.018 32 HB3 LEU 6 HB3 LEU 6 -2.073 2.535 4.078 33 HG LEU 6 HG LEU 6 0.415 1.558 2.644 34 HD11 LEU 6 HD11 LEU 6 -1.478 -0.259 4.144 35 HD12 LEU 6 HD12 LEU 6 0.209 0.056 4.558 36 HD13 LEU 6 HD13 LEU 6 -0.186 -0.763 3.050 37 HD21 LEU 6 HD21 LEU 6 -1.224 0.457 1.154 38 HD22 LEU 6 HD22 LEU 6 -1.527 2.187 1.265 39 HD23 LEU 6 HD23 LEU 6 -2.550 1.060 2.157 40 H LYS 7 H LYS 7 -2.680 5.210 3.508 41 HA LYS 7 HA LYS 7 -3.102 5.221 0.706 42 HB2 LYS 7 HB2 LYS 7 -4.922 5.590 2.332 43 HB3 LYS 7 HB3 LYS 7 -4.169 7.085 2.864 44 HG2 LYS 7 HG2 LYS 7 -6.001 7.679 1.436 45 HG3 LYS 7 HG3 LYS 7 -4.518 8.016 0.539 46 HD2 LYS 7 HD2 LYS 7 -6.132 6.964 -0.947 47 HD3 LYS 7 HD3 LYS 7 -4.804 5.831 -0.679 48 HE2 LYS 7 HE2 LYS 7 -6.179 4.590 0.940 49 HE3 LYS 7 HE3 LYS 7 -7.474 5.777 0.776 50 HZ1 LYS 7 HZ1 LYS 7 -7.705 5.136 -1.530 51 HZ2 LYS 7 HZ2 LYS 7 -7.915 3.811 -0.501 52 HZ3 LYS 7 HZ3 LYS 7 -6.473 3.994 -1.356 53 H GLU 8 H GLU 8 -1.526 7.470 2.943 54 HA GLU 8 HA GLU 8 -0.948 9.512 1.071 55 HB2 GLU 8 HB2 GLU 8 0.467 8.803 3.668 56 HB3 GLU 8 HB3 GLU 8 0.769 10.269 2.736 57 HG2 GLU 8 HG2 GLU 8 -1.768 9.500 4.201 58 HG3 GLU 8 HG3 GLU 8 -0.681 10.837 4.558 59 H ARG 9 H ARG 9 0.712 6.498 1.941 60 HA ARG 9 HA ARG 9 3.068 6.936 0.394 61 HB2 ARG 9 HB2 ARG 9 1.717 4.313 1.157 62 HB3 ARG 9 HB3 ARG 9 3.320 4.429 0.432 63 HG2 ARG 9 HG2 ARG 9 4.139 5.664 2.392 64 HG3 ARG 9 HG3 ARG 9 2.529 5.614 3.119 65 HD2 ARG 9 HD2 ARG 9 2.645 3.143 3.196 66 HD3 ARG 9 HD3 ARG 9 4.258 3.195 2.478 67 HE ARG 9 HE ARG 9 5.056 4.279 4.481 68 HH11 ARG 9 HH11 ARG 9 1.871 2.816 4.789 69 HH12 ARG 9 HH12 ARG 9 1.971 2.700 6.513 70 HH21 ARG 9 HH21 ARG 9 5.174 4.101 6.722 71 HH22 ARG 9 HH22 ARG 9 3.845 3.433 7.613 72 H LEU 10 H LEU 10 -0.140 5.649 -0.392 73 HA LEU 10 HA LEU 10 0.433 4.783 -3.035 74 HB2 LEU 10 HB2 LEU 10 -2.213 5.670 -1.811 75 HB3 LEU 10 HB3 LEU 10 -2.052 4.841 -3.353 76 HG LEU 10 HG LEU 10 -1.498 3.679 -0.584 77 HD11 LEU 10 HD11 LEU 10 -3.834 3.706 -1.188 78 HD12 LEU 10 HD12 LEU 10 -3.200 2.063 -1.134 79 HD13 LEU 10 HD13 LEU 10 -3.473 2.851 -2.692 80 HD21 LEU 10 HD21 LEU 10 0.266 2.898 -2.055 81 HD22 LEU 10 HD22 LEU 10 -0.926 2.399 -3.259 82 HD23 LEU 10 HD23 LEU 10 -0.861 1.599 -1.686 83 H LYS 11 H LYS 11 -0.769 7.862 -1.726 84 HA LYS 11 HA LYS 11 -1.187 9.138 -4.259 85 HB2 LYS 11 HB2 LYS 11 -0.962 10.271 -1.450 86 HB3 LYS 11 HB3 LYS 11 -1.501 11.187 -2.852 87 HG2 LYS 11 HG2 LYS 11 -3.546 10.009 -2.996 88 HG3 LYS 11 HG3 LYS 11 -2.958 8.675 -2.002 89 HD2 LYS 11 HD2 LYS 11 -4.573 10.098 -0.772 90 HD3 LYS 11 HD3 LYS 11 -2.985 10.089 -0.005 91 HE2 LYS 11 HE2 LYS 11 -2.504 12.305 -1.044 92 HE3 LYS 11 HE3 LYS 11 -4.120 12.299 -1.756 93 HZ1 LYS 11 HZ1 LYS 11 -3.533 12.218 1.154 94 HZ2 LYS 11 HZ2 LYS 11 -5.068 12.297 0.448 95 HZ3 LYS 11 HZ3 LYS 11 -3.998 13.597 0.290 96 H LYS 12 H LYS 12 1.335 9.432 -1.746 97 HA LYS 12 HA LYS 12 2.665 11.646 -3.011 98 HB2 LYS 12 HB2 LYS 12 2.465 11.221 -0.498 99 HB3 LYS 12 HB3 LYS 12 3.658 9.950 -0.685 100 HG2 LYS 12 HG2 LYS 12 4.280 12.789 -1.505 101 HG3 LYS 12 HG3 LYS 12 4.401 12.295 0.183 102 HD2 LYS 12 HD2 LYS 12 6.074 10.581 -0.427 103 HD3 LYS 12 HD3 LYS 12 5.918 11.011 -2.130 104 HE2 LYS 12 HE2 LYS 12 6.738 13.319 -1.538 105 HE3 LYS 12 HE3 LYS 12 7.049 12.728 0.098 106 HZ1 LYS 12 HZ1 LYS 12 8.268 11.668 -2.395 107 HZ2 LYS 12 HZ2 LYS 12 8.559 11.087 -0.836 108 HZ3 LYS 12 HZ3 LYS 12 9.035 12.653 -1.255 109 H LEU 13 H LEU 13 3.338 8.153 -2.647 110 HA LEU 13 HA LEU 13 5.931 8.342 -3.921 111 HB2 LEU 13 HB2 LEU 13 5.370 6.662 -2.146 112 HB3 LEU 13 HB3 LEU 13 4.274 5.883 -3.272 113 HG LEU 13 HG LEU 13 6.226 5.368 -4.769 114 HD11 LEU 13 HD11 LEU 13 7.714 7.171 -4.094 115 HD12 LEU 13 HD12 LEU 13 8.507 5.611 -3.905 116 HD13 LEU 13 HD13 LEU 13 7.888 6.461 -2.486 117 HD21 LEU 13 HD21 LEU 13 6.474 4.295 -1.943 118 HD22 LEU 13 HD22 LEU 13 7.162 3.558 -3.395 119 HD23 LEU 13 HD23 LEU 13 5.414 3.669 -3.209 120 H GLY 14 H GLY 14 2.635 7.773 -4.914 121 HA2 GLY 14 HA2 GLY 14 1.618 7.484 -6.941 122 HA3 GLY 14 HA3 GLY 14 3.008 8.323 -7.612 123 H MET 15 H MET 15 2.111 5.112 -6.350 124 HA MET 15 HA MET 15 4.006 3.758 -8.126 125 HB2 MET 15 HB2 MET 15 3.516 1.768 -6.841 126 HB3 MET 15 HB3 MET 15 3.796 3.101 -5.730 127 HG2 MET 15 HG2 MET 15 1.306 3.327 -5.466 128 HG3 MET 15 HG3 MET 15 1.118 1.909 -6.488 129 HE1 MET 15 HE1 MET 15 2.442 3.258 -3.025 130 HE2 MET 15 HE2 MET 15 3.913 2.562 -3.716 131 HE3 MET 15 HE3 MET 15 3.135 1.791 -2.335 132 H SER 16 H SER 16 2.751 1.387 -8.726 133 HA SER 16 HA SER 16 0.999 2.014 -10.878 134 HB2 SER 16 HB2 SER 16 1.507 -0.685 -9.547 135 HB3 SER 16 HB3 SER 16 0.783 -0.434 -11.137 136 HG SER 16 HG SER 16 2.920 0.800 -11.460 137 H GLU 17 H GLU 17 -1.229 1.692 -11.075 138 HA GLU 17 HA GLU 17 -2.868 2.262 -8.848 139 HB2 GLU 17 HB2 GLU 17 -3.700 1.150 -11.562 140 HB3 GLU 17 HB3 GLU 17 -4.767 1.930 -10.393 141 HG2 GLU 17 HG2 GLU 17 -3.378 4.016 -10.633 142 HG3 GLU 17 HG3 GLU 17 -2.499 3.224 -11.936 143 H GLU 18 H GLU 18 -1.907 -0.720 -10.386 144 HA GLU 18 HA GLU 18 -3.842 -2.497 -9.318 145 HB2 GLU 18 HB2 GLU 18 -2.484 -3.074 -11.291 146 HB3 GLU 18 HB3 GLU 18 -1.007 -2.951 -10.339 147 HG2 GLU 18 HG2 GLU 18 -1.726 -4.900 -8.977 148 HG3 GLU 18 HG3 GLU 18 -3.187 -5.040 -9.960 149 H CYS 19 H CYS 19 -0.566 -1.471 -8.371 150 HA CYS 19 HA CYS 19 -0.118 -3.153 -6.188 151 HB2 CYS 19 HB2 CYS 19 0.866 -0.317 -6.691 152 HB3 CYS 19 HB3 CYS 19 1.524 -1.409 -5.489 153 H ARG 20 H ARG 20 -1.563 0.099 -6.374 154 HA ARG 20 HA ARG 20 -2.043 0.722 -3.720 155 HB2 ARG 20 HB2 ARG 20 -3.925 1.223 -6.061 156 HB3 ARG 20 HB3 ARG 20 -4.022 2.009 -4.482 157 HG2 ARG 20 HG2 ARG 20 -1.699 2.928 -4.942 158 HG3 ARG 20 HG3 ARG 20 -1.912 2.353 -6.607 159 HD2 ARG 20 HD2 ARG 20 -3.820 4.190 -5.152 160 HD3 ARG 20 HD3 ARG 20 -2.566 4.729 -6.273 161 HE ARG 20 HE ARG 20 -4.656 2.864 -7.183 162 HH11 ARG 20 HH11 ARG 20 -3.159 6.031 -7.437 163 HH12 ARG 20 HH12 ARG 20 -4.041 6.452 -8.868 164 HH21 ARG 20 HH21 ARG 20 -5.858 3.488 -9.002 165 HH22 ARG 20 HH22 ARG 20 -5.564 5.019 -9.754 166 H GLN 21 H GLN 21 -4.111 -1.019 -5.967 167 HA GLN 21 HA GLN 21 -6.328 -1.366 -4.301 168 HB2 GLN 21 HB2 GLN 21 -5.445 -3.012 -6.715 169 HB3 GLN 21 HB3 GLN 21 -7.068 -3.048 -6.020 170 HG2 GLN 21 HG2 GLN 21 -7.534 -0.820 -6.694 171 HG3 GLN 21 HG3 GLN 21 -5.835 -0.460 -6.991 172 HE21 GLN 21 HE21 GLN 21 -6.095 0.243 -9.056 173 HE22 GLN 21 HE22 GLN 21 -6.543 -0.774 -10.375 174 H ARG 22 H ARG 22 -3.451 -3.369 -4.817 175 HA ARG 22 HA ARG 22 -4.234 -5.577 -3.155 176 HB2 ARG 22 HB2 ARG 22 -1.608 -4.696 -4.388 177 HB3 ARG 22 HB3 ARG 22 -1.602 -5.938 -3.151 178 HG2 ARG 22 HG2 ARG 22 -1.571 -7.019 -5.296 179 HG3 ARG 22 HG3 ARG 22 -3.139 -7.310 -4.546 180 HD2 ARG 22 HD2 ARG 22 -4.134 -5.535 -5.936 181 HD3 ARG 22 HD3 ARG 22 -2.564 -5.244 -6.687 182 HE ARG 22 HE ARG 22 -2.872 -7.803 -7.282 183 HH11 ARG 22 HH11 ARG 22 -5.249 -5.207 -7.469 184 HH12 ARG 22 HH12 ARG 22 -6.119 -5.926 -8.782 185 HH21 ARG 22 HH21 ARG 22 -4.015 -8.719 -9.043 186 HH22 ARG 22 HH22 ARG 22 -5.417 -7.914 -9.676 187 H LEU 23 H LEU 23 -2.603 -2.497 -2.646 188 HA LEU 23 HA LEU 23 -1.652 -3.144 -0.010 189 HB2 LEU 23 HB2 LEU 23 -1.825 -0.546 -1.531 190 HB3 LEU 23 HB3 LEU 23 -1.057 -0.728 0.034 191 HG LEU 23 HG LEU 23 -0.214 -2.098 -2.534 192 HD11 LEU 23 HD11 LEU 23 1.835 -0.838 -2.366 193 HD12 LEU 23 HD12 LEU 23 1.200 0.029 -0.963 194 HD13 LEU 23 HD13 LEU 23 0.428 0.200 -2.545 195 HD21 LEU 23 HD21 LEU 23 0.154 -3.638 -0.722 196 HD22 LEU 23 HD22 LEU 23 0.982 -2.394 0.222 197 HD23 LEU 23 HD23 LEU 23 1.693 -2.994 -1.278 198 H GLU 24 H GLU 24 -4.506 -1.634 -1.305 199 HA GLU 24 HA GLU 24 -5.685 -0.494 0.951 200 HB2 GLU 24 HB2 GLU 24 -6.929 -1.942 -1.435 201 HB3 GLU 24 HB3 GLU 24 -7.900 -1.134 -0.210 202 HG2 GLU 24 HG2 GLU 24 -5.910 0.188 -2.067 203 HG3 GLU 24 HG3 GLU 24 -7.668 0.205 -2.236 204 H LYS 25 H LYS 25 -5.737 -3.746 -0.386 205 HA LYS 25 HA LYS 25 -7.627 -4.683 1.594 206 HB2 LYS 25 HB2 LYS 25 -7.482 -6.799 0.423 207 HB3 LYS 25 HB3 LYS 25 -7.822 -5.503 -0.681 208 HG2 LYS 25 HG2 LYS 25 -5.617 -5.606 -1.605 209 HG3 LYS 25 HG3 LYS 25 -5.041 -6.664 -0.317 210 HD2 LYS 25 HD2 LYS 25 -7.150 -7.434 -2.374 211 HD3 LYS 25 HD3 LYS 25 -5.438 -7.854 -2.487 212 HE2 LYS 25 HE2 LYS 25 -5.581 -9.189 -0.451 213 HE3 LYS 25 HE3 LYS 25 -7.248 -8.676 -0.181 214 HZ1 LYS 25 HZ1 LYS 25 -7.899 -9.817 -2.177 215 HZ2 LYS 25 HZ2 LYS 25 -7.108 -10.887 -1.134 216 HZ3 LYS 25 HZ3 LYS 25 -6.302 -10.275 -2.488 217 H MET 26 H MET 26 -4.159 -5.045 0.928 218 HA MET 26 HA MET 26 -3.616 -6.906 3.000 219 HB2 MET 26 HB2 MET 26 -1.820 -4.955 1.519 220 HB3 MET 26 HB3 MET 26 -1.219 -6.049 2.754 221 HG2 MET 26 HG2 MET 26 -2.596 -6.961 0.217 222 HG3 MET 26 HG3 MET 26 -0.853 -6.830 0.410 223 HE1 MET 26 HE1 MET 26 -3.839 -9.209 0.611 224 HE2 MET 26 HE2 MET 26 -4.037 -8.551 2.237 225 HE3 MET 26 HE3 MET 26 -3.524 -10.225 2.016 226 H CYS 27 H CYS 27 -3.961 -3.389 2.970 227 HA CYS 27 HA CYS 27 -3.112 -3.011 5.700 228 HB2 CYS 27 HB2 CYS 27 -3.146 -1.138 4.065 229 HB3 CYS 27 HB3 CYS 27 -4.903 -1.255 3.973 230 H LYS 28 H LYS 28 -6.250 -3.440 4.086 231 HA LYS 28 HA LYS 28 -7.786 -2.778 6.453 232 HB2 LYS 28 HB2 LYS 28 -8.511 -3.414 3.575 233 HB3 LYS 28 HB3 LYS 28 -9.752 -3.157 4.796 234 HG2 LYS 28 HG2 LYS 28 -9.290 -0.872 4.992 235 HG3 LYS 28 HG3 LYS 28 -7.626 -1.046 4.438 236 HD2 LYS 28 HD2 LYS 28 -9.134 0.161 2.824 237 HD3 LYS 28 HD3 LYS 28 -8.315 -1.241 2.143 238 HE2 LYS 28 HE2 LYS 28 -10.661 -1.085 1.400 239 HE3 LYS 28 HE3 LYS 28 -10.372 -2.562 2.321 240 HZ1 LYS 28 HZ1 LYS 28 -11.352 -1.490 4.258 241 HZ2 LYS 28 HZ2 LYS 28 -12.440 -1.515 2.966 242 HZ3 LYS 28 HZ3 LYS 28 -11.633 -0.083 3.363 243 H GLU 29 H GLU 29 -8.003 -5.551 4.191 244 HA GLU 29 HA GLU 29 -9.096 -7.272 6.320 245 HB2 GLU 29 HB2 GLU 29 -9.586 -8.855 4.441 246 HB3 GLU 29 HB3 GLU 29 -10.330 -7.276 4.218 247 HG2 GLU 29 HG2 GLU 29 -8.428 -6.678 2.683 248 HG3 GLU 29 HG3 GLU 29 -7.863 -8.342 2.818 249 H GLY 30 H GLY 30 -6.130 -6.346 5.779 250 HA2 GLY 30 HA2 GLY 30 -4.907 -8.987 6.361 251 HA3 GLY 30 HA3 GLY 30 -4.179 -7.896 5.184 252 H THR 31 H THR 31 -2.270 -7.703 6.406 253 HA THR 31 HA THR 31 -2.422 -6.139 8.928 254 HB THR 31 HB THR 31 0.008 -7.043 9.209 255 HG1 THR 31 HG1 THR 31 0.636 -8.654 7.909 256 HG21 THR 31 HG21 THR 31 -2.288 -9.038 9.328 257 HG22 THR 31 HG22 THR 31 -1.842 -7.897 10.603 258 HG23 THR 31 HG23 THR 31 -0.742 -9.205 10.156 259 H SER 32 H SER 32 -1.898 -4.066 8.664 260 HA SER 32 HA SER 32 -1.046 -2.866 6.270 261 HB2 SER 32 HB2 SER 32 -0.934 -1.650 9.066 262 HB3 SER 32 HB3 SER 32 -1.024 -0.769 7.538 263 HG SER 32 HG SER 32 -3.082 -0.841 7.950 264 H GLU 33 H GLU 33 0.774 -4.166 8.939 265 HA GLU 33 HA GLU 33 3.236 -2.767 8.546 266 HB2 GLU 33 HB2 GLU 33 2.659 -5.413 9.939 267 HB3 GLU 33 HB3 GLU 33 4.167 -4.500 10.069 268 HG2 GLU 33 HG2 GLU 33 2.942 -2.610 11.080 269 HG3 GLU 33 HG3 GLU 33 1.433 -3.517 10.959 270 H ASP 34 H ASP 34 1.886 -5.791 7.268 271 HA ASP 34 HA ASP 34 4.251 -6.466 5.731 272 HB2 ASP 34 HB2 ASP 34 1.402 -7.547 5.761 273 HB3 ASP 34 HB3 ASP 34 2.576 -8.080 4.550 274 H ALA 35 H ALA 35 1.258 -4.712 5.246 275 HA ALA 35 HA ALA 35 1.240 -4.596 2.415 276 HB1 ALA 35 HB1 ALA 35 -0.484 -2.874 2.701 277 HB2 ALA 35 HB2 ALA 35 -0.059 -2.711 4.407 278 HB3 ALA 35 HB3 ALA 35 -0.751 -4.220 3.816 279 H GLU 36 H GLU 36 2.550 -2.324 4.858 280 HA GLU 36 HA GLU 36 3.358 -0.268 3.093 281 HB2 GLU 36 HB2 GLU 36 4.829 0.489 4.932 282 HB3 GLU 36 HB3 GLU 36 3.210 0.102 5.509 283 HG2 GLU 36 HG2 GLU 36 4.007 -2.062 6.348 284 HG3 GLU 36 HG3 GLU 36 5.628 -1.712 5.750 285 H ARG 37 H ARG 37 4.859 -3.314 3.995 286 HA ARG 37 HA ARG 37 7.425 -2.903 2.822 287 HB2 ARG 37 HB2 ARG 37 6.831 -4.661 4.547 288 HB3 ARG 37 HB3 ARG 37 5.952 -5.524 3.291 289 HG2 ARG 37 HG2 ARG 37 8.197 -5.588 2.004 290 HG3 ARG 37 HG3 ARG 37 8.939 -5.074 3.523 291 HD2 ARG 37 HD2 ARG 37 7.418 -7.632 2.959 292 HD3 ARG 37 HD3 ARG 37 9.107 -7.460 3.437 293 HE ARG 37 HE ARG 37 8.145 -6.537 5.617 294 HH11 ARG 37 HH11 ARG 37 6.481 -9.001 3.725 295 HH12 ARG 37 HH12 ARG 37 5.647 -9.655 5.100 296 HH21 ARG 37 HH21 ARG 37 6.997 -7.372 7.384 297 HH22 ARG 37 HH22 ARG 37 5.942 -8.735 7.169 298 H MET 38 H MET 38 4.410 -4.512 1.716 299 HA MET 38 HA MET 38 5.267 -5.249 -0.851 300 HB2 MET 38 HB2 MET 38 2.410 -4.572 -0.071 301 HB3 MET 38 HB3 MET 38 2.931 -5.621 -1.382 302 HG2 MET 38 HG2 MET 38 3.074 -6.167 1.589 303 HG3 MET 38 HG3 MET 38 2.087 -6.994 0.392 304 HE1 MET 38 HE1 MET 38 3.120 -8.588 -1.489 305 HE2 MET 38 HE2 MET 38 4.842 -8.940 -1.636 306 HE3 MET 38 HE3 MET 38 4.243 -7.316 -1.977 307 H ALA 39 H ALA 39 4.165 -2.181 0.410 308 HA ALA 39 HA ALA 39 3.585 -0.753 -1.936 309 HB1 ALA 39 HB1 ALA 39 4.834 0.295 0.629 310 HB2 ALA 39 HB2 ALA 39 3.104 0.106 0.331 311 HB3 ALA 39 HB3 ALA 39 4.044 1.270 -0.607 312 H ARG 40 H ARG 40 6.633 -1.303 -0.222 313 HA ARG 40 HA ARG 40 8.342 0.005 -2.094 314 HB2 ARG 40 HB2 ARG 40 8.984 -2.213 -0.101 315 HB3 ARG 40 HB3 ARG 40 10.172 -1.200 -0.923 316 HG2 ARG 40 HG2 ARG 40 9.340 0.781 0.264 317 HG3 ARG 40 HG3 ARG 40 8.081 -0.186 1.041 318 HD2 ARG 40 HD2 ARG 40 9.785 -1.501 2.216 319 HD3 ARG 40 HD3 ARG 40 11.073 -0.617 1.390 320 HE ARG 40 HE ARG 40 9.502 1.261 2.722 321 HH11 ARG 40 HH11 ARG 40 11.613 -1.405 3.633 322 HH12 ARG 40 HH12 ARG 40 12.040 -0.708 5.159 323 HH21 ARG 40 HH21 ARG 40 10.066 2.142 4.748 324 HH22 ARG 40 HH22 ARG 40 11.166 1.299 5.788 325 H ASN 41 H ASN 41 7.174 -3.334 -1.674 326 HA ASN 41 HA ASN 41 8.908 -4.617 -3.523 327 HB2 ASN 41 HB2 ASN 41 6.247 -5.472 -2.329 328 HB3 ASN 41 HB3 ASN 41 7.116 -6.488 -3.467 329 HD21 ASN 41 HD21 ASN 41 8.724 -4.533 -0.974 330 HD22 ASN 41 HD22 ASN 41 9.259 -5.886 -0.051 331 H CYS 42 H CYS 42 5.979 -2.805 -3.982 332 HA CYS 42 HA CYS 42 5.011 -3.726 -6.429 333 HB2 CYS 42 HB2 CYS 42 3.729 -2.084 -5.205 334 HB3 CYS 42 HB3 CYS 42 5.057 -0.927 -5.242 335 H GLU 43 H GLU 43 7.581 -1.321 -5.795 336 HA GLU 43 HA GLU 43 8.745 -1.717 -8.423 337 HB2 GLU 43 HB2 GLU 43 6.974 -0.028 -8.890 338 HB3 GLU 43 HB3 GLU 43 7.640 1.016 -7.636 339 HG2 GLU 43 HG2 GLU 43 9.789 1.123 -8.958 340 HG3 GLU 43 HG3 GLU 43 8.981 0.210 -10.230 341 H SER 44 H SER 44 8.724 0.218 -5.426 342 HA SER 44 HA SER 44 11.361 1.269 -5.688 343 HB2 SER 44 HB2 SER 44 9.525 2.361 -4.389 344 HB3 SER 44 HB3 SER 44 9.573 1.039 -3.224 345 HG SER 44 HG SER 44 11.418 3.111 -3.655 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -2.421 5.643 12.841 2 H2 ALA 1 H2 ALA 1 -2.754 4.503 14.045 3 H3 ALA 1 H3 ALA 1 -3.649 5.934 13.971 4 HA ALA 1 HA ALA 1 -4.910 4.062 13.131 5 HB1 ALA 1 HB1 ALA 1 -4.134 6.118 11.030 6 HB2 ALA 1 HB2 ALA 1 -5.359 6.323 12.281 7 HB3 ALA 1 HB3 ALA 1 -5.599 5.133 11.001 8 HA PRO 2 HA PRO 2 -3.044 0.583 11.088 9 HB2 PRO 2 HB2 PRO 2 -5.164 0.815 8.944 10 HB3 PRO 2 HB3 PRO 2 -4.672 -0.604 9.899 11 HG2 PRO 2 HG2 PRO 2 -6.917 0.710 10.480 12 HG3 PRO 2 HG3 PRO 2 -5.885 0.049 11.766 13 HD2 PRO 2 HD2 PRO 2 -6.251 2.894 10.926 14 HD3 PRO 2 HD3 PRO 2 -5.871 2.228 12.528 15 H CYS 3 H CYS 3 -4.281 2.540 8.368 16 HA CYS 3 HA CYS 3 -1.630 2.633 7.085 17 HB2 CYS 3 HB2 CYS 3 -4.107 1.308 5.943 18 HB3 CYS 3 HB3 CYS 3 -2.852 1.950 4.887 19 H GLU 4 H GLU 4 -3.394 4.605 8.380 20 HA GLU 4 HA GLU 4 -4.570 6.359 6.523 21 HB2 GLU 4 HB2 GLU 4 -4.787 6.473 9.011 22 HB3 GLU 4 HB3 GLU 4 -3.123 7.014 9.129 23 HG2 GLU 4 HG2 GLU 4 -5.278 8.582 7.673 24 HG3 GLU 4 HG3 GLU 4 -4.953 8.778 9.389 25 H ASP 5 H ASP 5 -1.265 6.308 7.896 26 HA ASP 5 HA ASP 5 -0.112 8.369 6.349 27 HB2 ASP 5 HB2 ASP 5 1.293 5.952 7.569 28 HB3 ASP 5 HB3 ASP 5 2.071 7.449 7.064 29 H LEU 6 H LEU 6 -0.134 4.864 5.977 30 HA LEU 6 HA LEU 6 1.525 4.505 3.791 31 HB2 LEU 6 HB2 LEU 6 0.766 2.693 5.237 32 HB3 LEU 6 HB3 LEU 6 -0.883 2.910 4.708 33 HG LEU 6 HG LEU 6 1.136 2.122 2.600 34 HD11 LEU 6 HD11 LEU 6 1.701 0.635 4.469 35 HD12 LEU 6 HD12 LEU 6 0.958 -0.245 3.134 36 HD13 LEU 6 HD13 LEU 6 0.010 0.127 4.576 37 HD21 LEU 6 HD21 LEU 6 -0.759 0.807 1.688 38 HD22 LEU 6 HD22 LEU 6 -1.215 2.493 1.919 39 HD23 LEU 6 HD23 LEU 6 -1.756 1.273 3.072 40 H LYS 7 H LYS 7 -1.959 5.194 3.869 41 HA LYS 7 HA LYS 7 -2.459 4.711 1.111 42 HB2 LYS 7 HB2 LYS 7 -4.177 4.566 2.883 43 HB3 LYS 7 HB3 LYS 7 -4.105 6.312 3.099 44 HG2 LYS 7 HG2 LYS 7 -5.015 6.691 0.882 45 HG3 LYS 7 HG3 LYS 7 -4.878 4.976 0.480 46 HD2 LYS 7 HD2 LYS 7 -6.694 6.145 2.622 47 HD3 LYS 7 HD3 LYS 7 -7.210 5.637 1.013 48 HE2 LYS 7 HE2 LYS 7 -6.584 3.309 1.530 49 HE3 LYS 7 HE3 LYS 7 -5.999 3.803 3.122 50 HZ1 LYS 7 HZ1 LYS 7 -8.217 4.479 3.702 51 HZ2 LYS 7 HZ2 LYS 7 -8.211 2.860 3.224 52 HZ3 LYS 7 HZ3 LYS 7 -8.800 4.051 2.176 53 H GLU 8 H GLU 8 -1.707 7.617 2.967 54 HA GLU 8 HA GLU 8 -2.085 9.496 0.878 55 HB2 GLU 8 HB2 GLU 8 -0.226 9.761 3.274 56 HB3 GLU 8 HB3 GLU 8 -0.862 11.077 2.284 57 HG2 GLU 8 HG2 GLU 8 -2.393 9.278 4.168 58 HG3 GLU 8 HG3 GLU 8 -2.099 11.006 4.342 59 H ARG 9 H ARG 9 0.652 7.545 1.935 60 HA ARG 9 HA ARG 9 2.656 8.614 0.244 61 HB2 ARG 9 HB2 ARG 9 2.366 5.876 1.521 62 HB3 ARG 9 HB3 ARG 9 3.819 6.417 0.681 63 HG2 ARG 9 HG2 ARG 9 4.197 8.163 2.307 64 HG3 ARG 9 HG3 ARG 9 2.647 7.843 3.093 65 HD2 ARG 9 HD2 ARG 9 4.589 6.896 4.328 66 HD3 ARG 9 HD3 ARG 9 3.412 5.676 3.829 67 HE ARG 9 HE ARG 9 5.398 5.895 1.851 68 HH11 ARG 9 HH11 ARG 9 5.039 4.644 5.116 69 HH12 ARG 9 HH12 ARG 9 6.290 3.470 4.902 70 HH21 ARG 9 HH21 ARG 9 6.998 4.359 1.619 71 HH22 ARG 9 HH22 ARG 9 7.390 3.306 2.934 72 H LEU 10 H LEU 10 0.232 6.040 -0.182 73 HA LEU 10 HA LEU 10 1.062 4.928 -2.613 74 HB2 LEU 10 HB2 LEU 10 -1.842 5.369 -1.791 75 HB3 LEU 10 HB3 LEU 10 -1.262 4.208 -2.973 76 HG LEU 10 HG LEU 10 -0.989 4.108 0.038 77 HD11 LEU 10 HD11 LEU 10 -2.128 1.971 -0.139 78 HD12 LEU 10 HD12 LEU 10 -2.230 2.147 -1.893 79 HD13 LEU 10 HD13 LEU 10 -3.088 3.274 -0.838 80 HD21 LEU 10 HD21 LEU 10 0.472 2.345 -1.941 81 HD22 LEU 10 HD22 LEU 10 0.353 2.054 -0.203 82 HD23 LEU 10 HD23 LEU 10 1.188 3.484 -0.797 83 H LYS 11 H LYS 11 -1.065 7.688 -1.933 84 HA LYS 11 HA LYS 11 -1.533 8.310 -4.722 85 HB2 LYS 11 HB2 LYS 11 -2.249 9.775 -2.157 86 HB3 LYS 11 HB3 LYS 11 -2.832 10.219 -3.761 87 HG2 LYS 11 HG2 LYS 11 -4.056 8.125 -3.967 88 HG3 LYS 11 HG3 LYS 11 -3.360 7.514 -2.464 89 HD2 LYS 11 HD2 LYS 11 -5.214 9.924 -2.684 90 HD3 LYS 11 HD3 LYS 11 -5.719 8.301 -2.200 91 HE2 LYS 11 HE2 LYS 11 -4.234 8.421 -0.232 92 HE3 LYS 11 HE3 LYS 11 -3.701 10.030 -0.723 93 HZ1 LYS 11 HZ1 LYS 11 -5.949 10.822 -0.447 94 HZ2 LYS 11 HZ2 LYS 11 -5.373 10.133 0.986 95 HZ3 LYS 11 HZ3 LYS 11 -6.463 9.282 0.018 96 H LYS 12 H LYS 12 0.737 9.312 -2.264 97 HA LYS 12 HA LYS 12 1.484 11.851 -3.277 98 HB2 LYS 12 HB2 LYS 12 1.969 11.315 -0.987 99 HB3 LYS 12 HB3 LYS 12 2.823 9.851 -1.436 100 HG2 LYS 12 HG2 LYS 12 3.987 12.454 -2.367 101 HG3 LYS 12 HG3 LYS 12 4.093 12.087 -0.647 102 HD2 LYS 12 HD2 LYS 12 5.335 10.021 -1.121 103 HD3 LYS 12 HD3 LYS 12 5.114 10.252 -2.856 104 HE2 LYS 12 HE2 LYS 12 6.725 12.050 -1.014 105 HE3 LYS 12 HE3 LYS 12 7.381 10.898 -2.175 106 HZ1 LYS 12 HZ1 LYS 12 7.432 13.118 -3.072 107 HZ2 LYS 12 HZ2 LYS 12 5.772 13.310 -2.825 108 HZ3 LYS 12 HZ3 LYS 12 6.331 12.185 -3.958 109 H LEU 13 H LEU 13 2.826 8.602 -3.774 110 HA LEU 13 HA LEU 13 4.667 9.617 -5.839 111 HB2 LEU 13 HB2 LEU 13 5.830 7.470 -5.651 112 HB3 LEU 13 HB3 LEU 13 5.721 8.297 -4.111 113 HG LEU 13 HG LEU 13 3.598 6.672 -3.780 114 HD11 LEU 13 HD11 LEU 13 3.983 4.438 -4.720 115 HD12 LEU 13 HD12 LEU 13 5.296 5.083 -5.707 116 HD13 LEU 13 HD13 LEU 13 3.643 5.643 -5.957 117 HD21 LEU 13 HD21 LEU 13 6.448 5.725 -3.379 118 HD22 LEU 13 HD22 LEU 13 5.011 5.094 -2.565 119 HD23 LEU 13 HD23 LEU 13 5.523 6.756 -2.281 120 H GLY 14 H GLY 14 1.665 8.055 -5.483 121 HA2 GLY 14 HA2 GLY 14 0.112 8.107 -7.258 122 HA3 GLY 14 HA3 GLY 14 1.416 7.873 -8.417 123 H MET 15 H MET 15 2.711 5.783 -7.782 124 HA MET 15 HA MET 15 2.960 3.693 -7.971 125 HB2 MET 15 HB2 MET 15 1.938 3.959 -5.543 126 HB3 MET 15 HB3 MET 15 0.585 3.064 -6.232 127 HG2 MET 15 HG2 MET 15 2.097 1.285 -6.887 128 HG3 MET 15 HG3 MET 15 3.466 2.166 -6.252 129 HE1 MET 15 HE1 MET 15 3.019 1.962 -2.442 130 HE2 MET 15 HE2 MET 15 2.595 3.315 -3.490 131 HE3 MET 15 HE3 MET 15 4.080 2.403 -3.780 132 H SER 16 H SER 16 2.196 1.676 -8.899 133 HA SER 16 HA SER 16 0.458 1.967 -11.100 134 HB2 SER 16 HB2 SER 16 1.305 -0.601 -9.679 135 HB3 SER 16 HB3 SER 16 0.649 -0.494 -11.316 136 HG SER 16 HG SER 16 2.547 1.014 -11.627 137 H GLU 17 H GLU 17 -1.725 1.588 -11.309 138 HA GLU 17 HA GLU 17 -3.409 1.948 -9.101 139 HB2 GLU 17 HB2 GLU 17 -3.972 0.911 -11.906 140 HB3 GLU 17 HB3 GLU 17 -5.253 1.215 -10.733 141 HG2 GLU 17 HG2 GLU 17 -4.746 3.557 -10.653 142 HG3 GLU 17 HG3 GLU 17 -3.284 3.349 -11.615 143 H GLU 18 H GLU 18 -2.101 -1.008 -10.460 144 HA GLU 18 HA GLU 18 -3.904 -2.763 -9.063 145 HB2 GLU 18 HB2 GLU 18 -2.787 -3.453 -11.176 146 HB3 GLU 18 HB3 GLU 18 -1.219 -3.299 -10.392 147 HG2 GLU 18 HG2 GLU 18 -1.819 -5.133 -8.833 148 HG3 GLU 18 HG3 GLU 18 -3.383 -5.288 -9.631 149 H CYS 19 H CYS 19 -0.657 -1.370 -8.538 150 HA CYS 19 HA CYS 19 0.125 -3.021 -6.385 151 HB2 CYS 19 HB2 CYS 19 1.045 -0.239 -7.274 152 HB3 CYS 19 HB3 CYS 19 1.716 -1.071 -5.871 153 H ARG 20 H ARG 20 -1.258 0.313 -6.367 154 HA ARG 20 HA ARG 20 -1.295 0.465 -3.529 155 HB2 ARG 20 HB2 ARG 20 -2.903 2.486 -3.965 156 HB3 ARG 20 HB3 ARG 20 -1.219 2.590 -4.428 157 HG2 ARG 20 HG2 ARG 20 -2.545 3.613 -6.122 158 HG3 ARG 20 HG3 ARG 20 -1.865 2.127 -6.774 159 HD2 ARG 20 HD2 ARG 20 -4.263 2.572 -7.402 160 HD3 ARG 20 HD3 ARG 20 -3.975 1.010 -6.650 161 HE ARG 20 HE ARG 20 -5.317 1.589 -4.927 162 HH11 ARG 20 HH11 ARG 20 -4.610 4.516 -6.758 163 HH12 ARG 20 HH12 ARG 20 -5.741 5.482 -5.880 164 HH21 ARG 20 HH21 ARG 20 -6.734 2.955 -3.716 165 HH22 ARG 20 HH22 ARG 20 -6.929 4.611 -4.177 166 H GLN 21 H GLN 21 -3.721 -0.702 -5.843 167 HA GLN 21 HA GLN 21 -5.862 -0.964 -3.975 168 HB2 GLN 21 HB2 GLN 21 -5.318 -2.179 -6.701 169 HB3 GLN 21 HB3 GLN 21 -6.684 -2.750 -5.743 170 HG2 GLN 21 HG2 GLN 21 -7.588 -0.454 -5.669 171 HG3 GLN 21 HG3 GLN 21 -6.237 0.117 -6.643 172 HE21 GLN 21 HE21 GLN 21 -6.233 -0.337 -8.871 173 HE22 GLN 21 HE22 GLN 21 -7.606 -0.945 -9.700 174 H ARG 22 H ARG 22 -3.141 -3.073 -4.849 175 HA ARG 22 HA ARG 22 -3.828 -5.362 -3.341 176 HB2 ARG 22 HB2 ARG 22 -1.099 -4.181 -3.995 177 HB3 ARG 22 HB3 ARG 22 -1.306 -5.729 -3.204 178 HG2 ARG 22 HG2 ARG 22 -2.314 -6.686 -5.163 179 HG3 ARG 22 HG3 ARG 22 -2.386 -5.112 -5.961 180 HD2 ARG 22 HD2 ARG 22 0.073 -5.006 -6.008 181 HD3 ARG 22 HD3 ARG 22 0.168 -6.541 -5.141 182 HE ARG 22 HE ARG 22 -1.241 -6.586 -7.683 183 HH11 ARG 22 HH11 ARG 22 1.807 -7.179 -6.016 184 HH12 ARG 22 HH12 ARG 22 2.422 -8.203 -7.274 185 HH21 ARG 22 HH21 ARG 22 -0.376 -7.888 -9.335 186 HH22 ARG 22 HH22 ARG 22 1.192 -8.599 -9.143 187 H LEU 23 H LEU 23 -2.150 -2.342 -2.503 188 HA LEU 23 HA LEU 23 -1.180 -3.239 0.027 189 HB2 LEU 23 HB2 LEU 23 -1.399 -0.418 -1.059 190 HB3 LEU 23 HB3 LEU 23 -0.374 -0.942 0.264 191 HG LEU 23 HG LEU 23 -0.112 -1.739 -2.643 192 HD11 LEU 23 HD11 LEU 23 0.694 0.467 -2.287 193 HD12 LEU 23 HD12 LEU 23 2.032 -0.630 -2.611 194 HD13 LEU 23 HD13 LEU 23 1.726 -0.079 -0.959 195 HD21 LEU 23 HD21 LEU 23 1.884 -3.006 -2.049 196 HD22 LEU 23 HD22 LEU 23 0.444 -3.662 -1.285 197 HD23 LEU 23 HD23 LEU 23 1.577 -2.701 -0.335 198 H GLU 24 H GLU 24 -3.782 -0.975 -0.893 199 HA GLU 24 HA GLU 24 -4.935 -0.545 1.610 200 HB2 GLU 24 HB2 GLU 24 -6.308 -0.860 -1.094 201 HB3 GLU 24 HB3 GLU 24 -7.083 -0.198 0.344 202 HG2 GLU 24 HG2 GLU 24 -5.656 1.745 0.321 203 HG3 GLU 24 HG3 GLU 24 -4.612 1.032 -0.909 204 H LYS 25 H LYS 25 -5.186 -3.316 -0.612 205 HA LYS 25 HA LYS 25 -7.332 -4.654 0.741 206 HB2 LYS 25 HB2 LYS 25 -7.033 -5.227 -1.557 207 HB3 LYS 25 HB3 LYS 25 -5.320 -5.544 -1.338 208 HG2 LYS 25 HG2 LYS 25 -5.798 -7.602 -0.110 209 HG3 LYS 25 HG3 LYS 25 -7.530 -7.269 -0.168 210 HD2 LYS 25 HD2 LYS 25 -5.762 -7.774 -2.590 211 HD3 LYS 25 HD3 LYS 25 -6.799 -8.979 -1.822 212 HE2 LYS 25 HE2 LYS 25 -7.721 -6.428 -3.203 213 HE3 LYS 25 HE3 LYS 25 -7.911 -8.079 -3.798 214 HZ1 LYS 25 HZ1 LYS 25 -9.949 -7.327 -2.815 215 HZ2 LYS 25 HZ2 LYS 25 -9.172 -6.932 -1.367 216 HZ3 LYS 25 HZ3 LYS 25 -9.297 -8.548 -1.843 217 H MET 26 H MET 26 -3.815 -4.671 1.055 218 HA MET 26 HA MET 26 -3.744 -6.936 2.846 219 HB2 MET 26 HB2 MET 26 -1.572 -4.837 2.492 220 HB3 MET 26 HB3 MET 26 -1.384 -6.452 3.158 221 HG2 MET 26 HG2 MET 26 -1.865 -5.670 0.280 222 HG3 MET 26 HG3 MET 26 -0.451 -6.455 0.953 223 HE1 MET 26 HE1 MET 26 -1.788 -10.096 1.597 224 HE2 MET 26 HE2 MET 26 -1.715 -8.790 2.782 225 HE3 MET 26 HE3 MET 26 -0.382 -9.035 1.650 226 H CYS 27 H CYS 27 -4.039 -3.453 3.085 227 HA CYS 27 HA CYS 27 -3.649 -3.180 5.897 228 HB2 CYS 27 HB2 CYS 27 -4.937 -1.378 3.831 229 HB3 CYS 27 HB3 CYS 27 -4.711 -0.914 5.511 230 H LYS 28 H LYS 28 -6.496 -3.794 3.885 231 HA LYS 28 HA LYS 28 -8.361 -3.297 6.115 232 HB2 LYS 28 HB2 LYS 28 -8.874 -3.879 3.175 233 HB3 LYS 28 HB3 LYS 28 -10.128 -3.520 4.362 234 HG2 LYS 28 HG2 LYS 28 -9.266 -1.252 4.643 235 HG3 LYS 28 HG3 LYS 28 -7.912 -1.594 3.560 236 HD2 LYS 28 HD2 LYS 28 -10.864 -1.586 2.791 237 HD3 LYS 28 HD3 LYS 28 -9.696 -0.321 2.398 238 HE2 LYS 28 HE2 LYS 28 -8.454 -1.847 0.954 239 HE3 LYS 28 HE3 LYS 28 -9.455 -3.208 1.453 240 HZ1 LYS 28 HZ1 LYS 28 -11.326 -2.247 0.379 241 HZ2 LYS 28 HZ2 LYS 28 -10.046 -2.294 -0.725 242 HZ3 LYS 28 HZ3 LYS 28 -10.476 -0.836 0.009 243 H GLU 29 H GLU 29 -7.249 -5.853 3.982 244 HA GLU 29 HA GLU 29 -9.099 -7.852 5.175 245 HB2 GLU 29 HB2 GLU 29 -7.853 -7.771 2.385 246 HB3 GLU 29 HB3 GLU 29 -8.977 -8.997 2.968 247 HG2 GLU 29 HG2 GLU 29 -10.806 -7.509 2.963 248 HG3 GLU 29 HG3 GLU 29 -9.770 -6.083 2.937 249 H GLY 30 H GLY 30 -6.154 -6.919 5.757 250 HA2 GLY 30 HA2 GLY 30 -5.148 -9.591 6.406 251 HA3 GLY 30 HA3 GLY 30 -4.160 -8.656 5.288 252 H THR 31 H THR 31 -2.545 -7.594 6.264 253 HA THR 31 HA THR 31 -2.946 -6.259 8.863 254 HB THR 31 HB THR 31 -0.581 -6.859 9.509 255 HG1 THR 31 HG1 THR 31 0.400 -8.630 8.353 256 HG21 THR 31 HG21 THR 31 -1.042 -9.183 10.229 257 HG22 THR 31 HG22 THR 31 -2.402 -9.266 9.107 258 HG23 THR 31 HG23 THR 31 -2.453 -8.153 10.476 259 H SER 32 H SER 32 -2.179 -4.263 8.920 260 HA SER 32 HA SER 32 -1.477 -2.788 6.632 261 HB2 SER 32 HB2 SER 32 -1.103 -0.932 8.314 262 HB3 SER 32 HB3 SER 32 -2.649 -1.760 8.503 263 HG SER 32 HG SER 32 -0.451 -1.688 10.189 264 H GLU 33 H GLU 33 0.454 -4.424 9.032 265 HA GLU 33 HA GLU 33 2.953 -3.117 8.655 266 HB2 GLU 33 HB2 GLU 33 2.373 -5.923 9.705 267 HB3 GLU 33 HB3 GLU 33 3.895 -5.051 9.892 268 HG2 GLU 33 HG2 GLU 33 2.722 -3.328 11.244 269 HG3 GLU 33 HG3 GLU 33 1.221 -4.253 11.103 270 H ASP 34 H ASP 34 1.424 -5.954 7.152 271 HA ASP 34 HA ASP 34 3.745 -6.626 5.540 272 HB2 ASP 34 HB2 ASP 34 2.218 -8.408 6.302 273 HB3 ASP 34 HB3 ASP 34 0.885 -7.647 5.432 274 H ALA 35 H ALA 35 0.910 -4.616 5.253 275 HA ALA 35 HA ALA 35 0.647 -4.375 2.459 276 HB1 ALA 35 HB1 ALA 35 -0.573 -2.289 2.936 277 HB2 ALA 35 HB2 ALA 35 0.043 -2.299 4.594 278 HB3 ALA 35 HB3 ALA 35 -1.047 -3.575 4.050 279 H GLU 36 H GLU 36 2.520 -2.372 4.763 280 HA GLU 36 HA GLU 36 3.734 -0.687 2.804 281 HB2 GLU 36 HB2 GLU 36 5.245 0.020 4.645 282 HB3 GLU 36 HB3 GLU 36 3.549 0.045 5.123 283 HG2 GLU 36 HG2 GLU 36 3.842 -2.103 6.294 284 HG3 GLU 36 HG3 GLU 36 5.536 -2.139 5.815 285 H ARG 37 H ARG 37 4.580 -3.796 4.197 286 HA ARG 37 HA ARG 37 7.209 -4.115 3.223 287 HB2 ARG 37 HB2 ARG 37 6.321 -5.547 4.964 288 HB3 ARG 37 HB3 ARG 37 5.021 -6.104 3.925 289 HG2 ARG 37 HG2 ARG 37 6.643 -7.332 2.524 290 HG3 ARG 37 HG3 ARG 37 7.965 -6.739 3.538 291 HD2 ARG 37 HD2 ARG 37 7.008 -7.908 5.493 292 HD3 ARG 37 HD3 ARG 37 5.668 -8.488 4.504 293 HE ARG 37 HE ARG 37 7.148 -9.933 3.365 294 HH11 ARG 37 HH11 ARG 37 8.746 -8.309 6.054 295 HH12 ARG 37 HH12 ARG 37 10.048 -9.453 6.115 296 HH21 ARG 37 HH21 ARG 37 8.880 -11.391 3.453 297 HH22 ARG 37 HH22 ARG 37 10.122 -11.189 4.650 298 H MET 38 H MET 38 4.031 -4.763 1.745 299 HA MET 38 HA MET 38 5.092 -5.859 -0.705 300 HB2 MET 38 HB2 MET 38 2.293 -4.842 -0.059 301 HB3 MET 38 HB3 MET 38 2.732 -5.727 -1.510 302 HG2 MET 38 HG2 MET 38 2.971 -6.887 1.277 303 HG3 MET 38 HG3 MET 38 1.535 -7.049 0.276 304 HE1 MET 38 HE1 MET 38 4.945 -8.494 1.212 305 HE2 MET 38 HE2 MET 38 5.545 -7.608 -0.193 306 HE3 MET 38 HE3 MET 38 5.472 -9.368 -0.223 307 H ALA 39 H ALA 39 4.326 -2.671 0.500 308 HA ALA 39 HA ALA 39 4.049 -1.216 -1.919 309 HB1 ALA 39 HB1 ALA 39 3.328 -0.335 0.272 310 HB2 ALA 39 HB2 ALA 39 4.425 0.789 -0.531 311 HB3 ALA 39 HB3 ALA 39 5.010 -0.223 0.796 312 H ARG 40 H ARG 40 6.839 -1.873 0.175 313 HA ARG 40 HA ARG 40 8.774 -0.602 -1.568 314 HB2 ARG 40 HB2 ARG 40 10.450 -1.460 0.058 315 HB3 ARG 40 HB3 ARG 40 9.154 -0.552 0.832 316 HG2 ARG 40 HG2 ARG 40 8.070 -2.681 1.494 317 HG3 ARG 40 HG3 ARG 40 9.395 -3.582 0.751 318 HD2 ARG 40 HD2 ARG 40 10.979 -2.616 2.326 319 HD3 ARG 40 HD3 ARG 40 9.717 -1.594 3.017 320 HE ARG 40 HE ARG 40 8.750 -3.469 4.040 321 HH11 ARG 40 HH11 ARG 40 11.705 -4.354 2.332 322 HH12 ARG 40 HH12 ARG 40 11.877 -5.858 3.178 323 HH21 ARG 40 HH21 ARG 40 9.024 -5.419 5.178 324 HH22 ARG 40 HH22 ARG 40 10.358 -6.464 4.792 325 H ASN 41 H ASN 41 7.091 -3.292 -2.094 326 HA ASN 41 HA ASN 41 9.279 -4.653 -3.553 327 HB2 ASN 41 HB2 ASN 41 6.715 -5.729 -2.333 328 HB3 ASN 41 HB3 ASN 41 7.592 -6.628 -3.569 329 HD21 ASN 41 HD21 ASN 41 7.115 -6.900 -0.529 330 HD22 ASN 41 HD22 ASN 41 8.668 -7.349 0.062 331 H CYS 42 H CYS 42 6.470 -2.718 -3.902 332 HA CYS 42 HA CYS 42 6.252 -3.345 -6.778 333 HB2 CYS 42 HB2 CYS 42 4.096 -2.920 -5.709 334 HB3 CYS 42 HB3 CYS 42 4.673 -1.377 -5.076 335 H GLU 43 H GLU 43 6.564 -0.328 -4.858 336 HA GLU 43 HA GLU 43 7.627 1.632 -5.190 337 HB2 GLU 43 HB2 GLU 43 9.846 -0.148 -6.253 338 HB3 GLU 43 HB3 GLU 43 10.042 1.501 -5.662 339 HG2 GLU 43 HG2 GLU 43 9.369 0.767 -3.396 340 HG3 GLU 43 HG3 GLU 43 9.160 -0.878 -3.994 341 H SER 44 H SER 44 5.949 1.978 -6.977 342 HA SER 44 HA SER 44 6.925 2.009 -9.709 343 HB2 SER 44 HB2 SER 44 4.415 3.333 -8.593 344 HB3 SER 44 HB3 SER 44 4.746 2.913 -10.274 345 HG SER 44 HG SER 44 4.597 0.748 -9.739 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -4.206 7.089 12.658 2 H2 ALA 1 H2 ALA 1 -3.475 8.549 12.206 3 H3 ALA 1 H3 ALA 1 -2.934 7.089 11.540 4 HA ALA 1 HA ALA 1 -5.617 8.273 11.149 5 HB1 ALA 1 HB1 ALA 1 -3.292 8.097 9.198 6 HB2 ALA 1 HB2 ALA 1 -3.845 9.561 10.006 7 HB3 ALA 1 HB3 ALA 1 -4.896 8.752 8.848 8 HA PRO 2 HA PRO 2 -6.274 3.800 10.730 9 HB2 PRO 2 HB2 PRO 2 -8.998 3.858 10.229 10 HB3 PRO 2 HB3 PRO 2 -8.300 4.071 11.846 11 HG2 PRO 2 HG2 PRO 2 -9.285 6.163 9.939 12 HG3 PRO 2 HG3 PRO 2 -9.488 6.071 11.702 13 HD2 PRO 2 HD2 PRO 2 -7.638 7.680 10.536 14 HD3 PRO 2 HD3 PRO 2 -7.373 6.942 12.127 15 H CYS 3 H CYS 3 -5.003 3.669 8.888 16 HA CYS 3 HA CYS 3 -4.514 2.769 6.923 17 HB2 CYS 3 HB2 CYS 3 -6.908 1.775 6.962 18 HB3 CYS 3 HB3 CYS 3 -7.302 3.060 5.825 19 H GLU 4 H GLU 4 -6.103 5.811 7.235 20 HA GLU 4 HA GLU 4 -5.961 6.913 4.683 21 HB2 GLU 4 HB2 GLU 4 -7.202 7.978 6.472 22 HB3 GLU 4 HB3 GLU 4 -5.741 8.210 7.427 23 HG2 GLU 4 HG2 GLU 4 -4.893 9.782 5.663 24 HG3 GLU 4 HG3 GLU 4 -6.424 9.598 4.806 25 H ASP 5 H ASP 5 -3.559 6.981 7.323 26 HA ASP 5 HA ASP 5 -1.582 8.573 6.156 27 HB2 ASP 5 HB2 ASP 5 -1.596 7.935 8.554 28 HB3 ASP 5 HB3 ASP 5 -1.237 6.265 8.133 29 H LEU 6 H LEU 6 -2.258 5.142 5.827 30 HA LEU 6 HA LEU 6 0.155 4.428 4.458 31 HB2 LEU 6 HB2 LEU 6 -1.479 2.992 5.900 32 HB3 LEU 6 HB3 LEU 6 -2.438 2.850 4.445 33 HG LEU 6 HG LEU 6 0.479 2.030 4.377 34 HD11 LEU 6 HD11 LEU 6 -1.743 0.253 5.420 35 HD12 LEU 6 HD12 LEU 6 -0.412 0.920 6.366 36 HD13 LEU 6 HD13 LEU 6 -0.078 -0.242 5.086 37 HD21 LEU 6 HD21 LEU 6 -1.958 0.977 2.899 38 HD22 LEU 6 HD22 LEU 6 -0.294 0.429 2.673 39 HD23 LEU 6 HD23 LEU 6 -0.744 2.079 2.247 40 H LYS 7 H LYS 7 -3.239 4.942 3.485 41 HA LYS 7 HA LYS 7 -3.116 4.458 0.744 42 HB2 LYS 7 HB2 LYS 7 -4.910 6.270 2.394 43 HB3 LYS 7 HB3 LYS 7 -5.187 5.986 0.676 44 HG2 LYS 7 HG2 LYS 7 -5.630 3.649 1.051 45 HG3 LYS 7 HG3 LYS 7 -5.108 3.759 2.735 46 HD2 LYS 7 HD2 LYS 7 -7.625 3.693 2.364 47 HD3 LYS 7 HD3 LYS 7 -7.029 5.025 3.357 48 HE2 LYS 7 HE2 LYS 7 -8.796 5.714 1.734 49 HE3 LYS 7 HE3 LYS 7 -7.281 6.586 1.502 50 HZ1 LYS 7 HZ1 LYS 7 -8.336 5.822 -0.579 51 HZ2 LYS 7 HZ2 LYS 7 -8.113 4.217 -0.086 52 HZ3 LYS 7 HZ3 LYS 7 -6.776 5.206 -0.372 53 H GLU 8 H GLU 8 -2.885 7.592 2.441 54 HA GLU 8 HA GLU 8 -2.763 9.273 0.204 55 HB2 GLU 8 HB2 GLU 8 -1.967 11.032 1.745 56 HB3 GLU 8 HB3 GLU 8 -3.295 10.129 2.469 57 HG2 GLU 8 HG2 GLU 8 -1.730 8.859 3.849 58 HG3 GLU 8 HG3 GLU 8 -0.360 9.655 3.087 59 H ARG 9 H ARG 9 -0.235 7.600 2.037 60 HA ARG 9 HA ARG 9 1.991 8.806 0.755 61 HB2 ARG 9 HB2 ARG 9 1.672 6.316 2.437 62 HB3 ARG 9 HB3 ARG 9 3.205 6.665 1.641 63 HG2 ARG 9 HG2 ARG 9 3.318 8.839 2.821 64 HG3 ARG 9 HG3 ARG 9 1.807 8.456 3.653 65 HD2 ARG 9 HD2 ARG 9 4.414 6.910 3.863 66 HD3 ARG 9 HD3 ARG 9 3.751 7.992 5.095 67 HE ARG 9 HE ARG 9 1.752 6.322 4.924 68 HH11 ARG 9 HH11 ARG 9 5.145 5.456 4.872 69 HH12 ARG 9 HH12 ARG 9 4.878 3.893 5.570 70 HH21 ARG 9 HH21 ARG 9 1.406 4.304 5.847 71 HH22 ARG 9 HH22 ARG 9 2.744 3.236 6.129 72 H LEU 10 H LEU 10 0.140 5.780 0.135 73 HA LEU 10 HA LEU 10 1.777 4.627 -1.832 74 HB2 LEU 10 HB2 LEU 10 -1.265 4.562 -1.824 75 HB3 LEU 10 HB3 LEU 10 -0.207 3.417 -2.634 76 HG LEU 10 HG LEU 10 -0.624 3.730 0.349 77 HD11 LEU 10 HD11 LEU 10 -1.288 1.452 -1.506 78 HD12 LEU 10 HD12 LEU 10 -2.426 2.588 -0.775 79 HD13 LEU 10 HD13 LEU 10 -1.520 1.475 0.244 80 HD21 LEU 10 HD21 LEU 10 1.731 3.256 0.036 81 HD22 LEU 10 HD22 LEU 10 1.365 1.929 -1.068 82 HD23 LEU 10 HD23 LEU 10 0.923 1.808 0.637 83 H LYS 11 H LYS 11 -0.769 7.034 -2.110 84 HA LYS 11 HA LYS 11 -0.817 7.241 -4.948 85 HB2 LYS 11 HB2 LYS 11 -1.811 9.209 -2.853 86 HB3 LYS 11 HB3 LYS 11 -2.243 9.216 -4.563 87 HG2 LYS 11 HG2 LYS 11 -3.283 6.940 -4.237 88 HG3 LYS 11 HG3 LYS 11 -2.975 7.103 -2.506 89 HD2 LYS 11 HD2 LYS 11 -4.713 8.964 -4.181 90 HD3 LYS 11 HD3 LYS 11 -5.312 7.714 -3.091 91 HE2 LYS 11 HE2 LYS 11 -4.386 8.894 -1.159 92 HE3 LYS 11 HE3 LYS 11 -3.638 10.097 -2.214 93 HZ1 LYS 11 HZ1 LYS 11 -5.707 10.893 -1.232 94 HZ2 LYS 11 HZ2 LYS 11 -6.556 9.628 -1.961 95 HZ3 LYS 11 HZ3 LYS 11 -5.818 10.808 -2.918 96 H LYS 12 H LYS 12 0.691 9.159 -2.353 97 HA LYS 12 HA LYS 12 1.779 11.220 -4.008 98 HB2 LYS 12 HB2 LYS 12 1.324 11.447 -1.550 99 HB3 LYS 12 HB3 LYS 12 2.640 10.326 -1.224 100 HG2 LYS 12 HG2 LYS 12 4.182 11.994 -2.410 101 HG3 LYS 12 HG3 LYS 12 2.826 13.126 -2.373 102 HD2 LYS 12 HD2 LYS 12 2.781 12.952 0.112 103 HD3 LYS 12 HD3 LYS 12 4.158 11.847 0.041 104 HE2 LYS 12 HE2 LYS 12 4.142 14.760 -0.818 105 HE3 LYS 12 HE3 LYS 12 4.923 14.096 0.617 106 HZ1 LYS 12 HZ1 LYS 12 6.379 12.805 -0.843 107 HZ2 LYS 12 HZ2 LYS 12 6.517 14.464 -1.138 108 HZ3 LYS 12 HZ3 LYS 12 5.644 13.490 -2.204 109 H LEU 13 H LEU 13 2.858 8.086 -3.020 110 HA LEU 13 HA LEU 13 5.676 8.416 -3.393 111 HB2 LEU 13 HB2 LEU 13 4.358 6.838 -1.810 112 HB3 LEU 13 HB3 LEU 13 4.121 5.811 -3.207 113 HG LEU 13 HG LEU 13 6.552 5.432 -3.342 114 HD11 LEU 13 HD11 LEU 13 6.781 7.188 -0.885 115 HD12 LEU 13 HD12 LEU 13 7.389 7.565 -2.501 116 HD13 LEU 13 HD13 LEU 13 8.078 6.221 -1.594 117 HD21 LEU 13 HD21 LEU 13 5.412 4.932 -0.570 118 HD22 LEU 13 HD22 LEU 13 6.793 4.089 -1.283 119 HD23 LEU 13 HD23 LEU 13 5.190 3.906 -1.992 120 H GLY 14 H GLY 14 2.951 7.504 -5.374 121 HA2 GLY 14 HA2 GLY 14 2.739 7.502 -7.643 122 HA3 GLY 14 HA3 GLY 14 4.403 8.052 -7.756 123 H MET 15 H MET 15 2.835 5.058 -6.612 124 HA MET 15 HA MET 15 4.563 3.401 -8.343 125 HB2 MET 15 HB2 MET 15 3.696 1.504 -7.037 126 HB3 MET 15 HB3 MET 15 4.288 2.750 -5.951 127 HG2 MET 15 HG2 MET 15 1.907 3.487 -5.606 128 HG3 MET 15 HG3 MET 15 1.397 2.119 -6.583 129 HE1 MET 15 HE1 MET 15 4.371 2.230 -3.936 130 HE2 MET 15 HE2 MET 15 3.516 1.673 -2.500 131 HE3 MET 15 HE3 MET 15 3.116 3.238 -3.209 132 H SER 16 H SER 16 2.816 1.276 -8.902 133 HA SER 16 HA SER 16 0.936 2.394 -10.817 134 HB2 SER 16 HB2 SER 16 1.549 -0.494 -10.054 135 HB3 SER 16 HB3 SER 16 0.432 -0.015 -11.334 136 HG SER 16 HG SER 16 3.191 0.667 -11.231 137 H GLU 17 H GLU 17 -1.330 2.254 -10.663 138 HA GLU 17 HA GLU 17 -2.523 2.591 -8.148 139 HB2 GLU 17 HB2 GLU 17 -3.799 1.918 -10.825 140 HB3 GLU 17 HB3 GLU 17 -4.716 2.368 -9.386 141 HG2 GLU 17 HG2 GLU 17 -3.561 4.543 -9.333 142 HG3 GLU 17 HG3 GLU 17 -2.673 4.111 -10.792 143 H GLU 18 H GLU 18 -1.986 -0.275 -10.049 144 HA GLU 18 HA GLU 18 -3.941 -1.992 -8.906 145 HB2 GLU 18 HB2 GLU 18 -2.739 -3.807 -10.032 146 HB3 GLU 18 HB3 GLU 18 -2.913 -2.430 -11.108 147 HG2 GLU 18 HG2 GLU 18 -0.559 -1.780 -10.642 148 HG3 GLU 18 HG3 GLU 18 -0.386 -3.201 -9.615 149 H CYS 19 H CYS 19 -0.525 -1.250 -8.196 150 HA CYS 19 HA CYS 19 -0.057 -3.114 -6.134 151 HB2 CYS 19 HB2 CYS 19 1.071 -0.365 -6.773 152 HB3 CYS 19 HB3 CYS 19 1.582 -1.229 -5.344 153 H ARG 20 H ARG 20 -1.300 0.246 -6.100 154 HA ARG 20 HA ARG 20 -1.257 0.747 -3.344 155 HB2 ARG 20 HB2 ARG 20 -3.403 1.733 -5.278 156 HB3 ARG 20 HB3 ARG 20 -3.031 2.416 -3.695 157 HG2 ARG 20 HG2 ARG 20 -0.822 3.125 -4.552 158 HG3 ARG 20 HG3 ARG 20 -1.270 2.502 -6.153 159 HD2 ARG 20 HD2 ARG 20 -2.764 4.616 -4.575 160 HD3 ARG 20 HD3 ARG 20 -1.751 4.919 -5.997 161 HE ARG 20 HE ARG 20 -3.627 3.096 -6.828 162 HH11 ARG 20 HH11 ARG 20 -3.849 6.311 -5.451 163 HH12 ARG 20 HH12 ARG 20 -5.352 6.671 -6.226 164 HH21 ARG 20 HH21 ARG 20 -5.630 3.572 -7.813 165 HH22 ARG 20 HH22 ARG 20 -6.360 5.121 -7.562 166 H GLN 21 H GLN 21 -3.917 -0.472 -5.338 167 HA GLN 21 HA GLN 21 -5.843 -0.507 -3.302 168 HB2 GLN 21 HB2 GLN 21 -5.726 -1.922 -5.993 169 HB3 GLN 21 HB3 GLN 21 -7.169 -1.890 -4.978 170 HG2 GLN 21 HG2 GLN 21 -7.393 0.481 -5.195 171 HG3 GLN 21 HG3 GLN 21 -5.789 0.647 -5.903 172 HE21 GLN 21 HE21 GLN 21 -5.497 0.176 -8.074 173 HE22 GLN 21 HE22 GLN 21 -6.804 0.003 -9.170 174 H ARG 22 H ARG 22 -3.527 -2.917 -4.409 175 HA ARG 22 HA ARG 22 -4.441 -5.163 -2.894 176 HB2 ARG 22 HB2 ARG 22 -1.696 -4.460 -4.015 177 HB3 ARG 22 HB3 ARG 22 -2.097 -6.023 -3.336 178 HG2 ARG 22 HG2 ARG 22 -3.682 -6.469 -5.096 179 HG3 ARG 22 HG3 ARG 22 -3.536 -4.818 -5.705 180 HD2 ARG 22 HD2 ARG 22 -1.073 -5.338 -6.136 181 HD3 ARG 22 HD3 ARG 22 -1.471 -7.031 -5.819 182 HE ARG 22 HE ARG 22 -3.295 -6.351 -7.684 183 HH11 ARG 22 HH11 ARG 22 0.198 -5.911 -7.621 184 HH12 ARG 22 HH12 ARG 22 0.351 -5.991 -9.345 185 HH21 ARG 22 HH21 ARG 22 -3.067 -6.436 -9.941 186 HH22 ARG 22 HH22 ARG 22 -1.491 -6.287 -10.659 187 H LEU 23 H LEU 23 -2.284 -2.444 -2.281 188 HA LEU 23 HA LEU 23 -1.180 -3.400 0.193 189 HB2 LEU 23 HB2 LEU 23 -1.270 -0.580 -0.935 190 HB3 LEU 23 HB3 LEU 23 -0.197 -1.151 0.316 191 HG LEU 23 HG LEU 23 -0.169 -1.990 -2.583 192 HD11 LEU 23 HD11 LEU 23 1.891 -0.409 -1.056 193 HD12 LEU 23 HD12 LEU 23 0.763 0.217 -2.260 194 HD13 LEU 23 HD13 LEU 23 2.002 -0.936 -2.742 195 HD21 LEU 23 HD21 LEU 23 1.606 -2.993 -0.360 196 HD22 LEU 23 HD22 LEU 23 1.816 -3.326 -2.079 197 HD23 LEU 23 HD23 LEU 23 0.387 -3.912 -1.242 198 H GLU 24 H GLU 24 -3.730 -1.152 -0.707 199 HA GLU 24 HA GLU 24 -4.645 -0.388 1.838 200 HB2 GLU 24 HB2 GLU 24 -6.067 -0.500 -0.852 201 HB3 GLU 24 HB3 GLU 24 -6.738 0.272 0.587 202 HG2 GLU 24 HG2 GLU 24 -4.977 1.929 0.598 203 HG3 GLU 24 HG3 GLU 24 -4.114 1.095 -0.692 204 H LYS 25 H LYS 25 -5.210 -3.182 -0.209 205 HA LYS 25 HA LYS 25 -7.474 -4.235 1.214 206 HB2 LYS 25 HB2 LYS 25 -6.961 -4.818 -1.143 207 HB3 LYS 25 HB3 LYS 25 -5.493 -5.635 -0.622 208 HG2 LYS 25 HG2 LYS 25 -6.839 -7.294 0.620 209 HG3 LYS 25 HG3 LYS 25 -8.319 -6.450 0.156 210 HD2 LYS 25 HD2 LYS 25 -6.375 -7.851 -1.718 211 HD3 LYS 25 HD3 LYS 25 -7.990 -8.409 -1.278 212 HE2 LYS 25 HE2 LYS 25 -8.960 -6.400 -2.382 213 HE3 LYS 25 HE3 LYS 25 -7.337 -5.885 -2.842 214 HZ1 LYS 25 HZ1 LYS 25 -8.404 -6.979 -4.664 215 HZ2 LYS 25 HZ2 LYS 25 -8.709 -8.358 -3.736 216 HZ3 LYS 25 HZ3 LYS 25 -7.117 -7.933 -4.124 217 H MET 26 H MET 26 -3.960 -4.732 1.269 218 HA MET 26 HA MET 26 -3.862 -6.643 3.373 219 HB2 MET 26 HB2 MET 26 -1.836 -4.654 2.293 220 HB3 MET 26 HB3 MET 26 -1.448 -5.797 3.577 221 HG2 MET 26 HG2 MET 26 -2.378 -6.549 0.794 222 HG3 MET 26 HG3 MET 26 -0.711 -6.605 1.379 223 HE1 MET 26 HE1 MET 26 -2.007 -9.155 0.072 224 HE2 MET 26 HE2 MET 26 -1.579 -10.418 1.226 225 HE3 MET 26 HE3 MET 26 -0.400 -9.179 0.798 226 H CYS 27 H CYS 27 -4.017 -3.164 3.274 227 HA CYS 27 HA CYS 27 -3.350 -2.538 5.962 228 HB2 CYS 27 HB2 CYS 27 -3.219 -0.895 4.148 229 HB3 CYS 27 HB3 CYS 27 -4.952 -1.017 3.872 230 H LYS 28 H LYS 28 -6.282 -3.717 4.480 231 HA LYS 28 HA LYS 28 -7.977 -2.987 6.797 232 HB2 LYS 28 HB2 LYS 28 -8.748 -3.869 3.981 233 HB3 LYS 28 HB3 LYS 28 -9.891 -3.442 5.254 234 HG2 LYS 28 HG2 LYS 28 -9.179 -1.146 5.243 235 HG3 LYS 28 HG3 LYS 28 -7.808 -1.512 4.192 236 HD2 LYS 28 HD2 LYS 28 -9.420 -2.114 2.368 237 HD3 LYS 28 HD3 LYS 28 -10.755 -1.642 3.426 238 HE2 LYS 28 HE2 LYS 28 -9.876 0.657 3.502 239 HE3 LYS 28 HE3 LYS 28 -8.528 0.182 2.466 240 HZ1 LYS 28 HZ1 LYS 28 -10.361 1.289 1.285 241 HZ2 LYS 28 HZ2 LYS 28 -11.381 0.001 1.676 242 HZ3 LYS 28 HZ3 LYS 28 -10.032 -0.256 0.692 243 H GLU 29 H GLU 29 -7.076 -5.737 4.745 244 HA GLU 29 HA GLU 29 -8.790 -7.607 6.198 245 HB2 GLU 29 HB2 GLU 29 -7.024 -8.156 3.777 246 HB3 GLU 29 HB3 GLU 29 -8.326 -9.175 4.379 247 HG2 GLU 29 HG2 GLU 29 -8.650 -6.417 3.151 248 HG3 GLU 29 HG3 GLU 29 -8.949 -7.945 2.328 249 H GLY 30 H GLY 30 -5.413 -6.776 5.852 250 HA2 GLY 30 HA2 GLY 30 -4.594 -9.063 7.593 251 HA3 GLY 30 HA3 GLY 30 -3.598 -8.427 6.286 252 H THR 31 H THR 31 -1.884 -7.492 7.259 253 HA THR 31 HA THR 31 -2.375 -5.543 9.456 254 HB THR 31 HB THR 31 -0.092 -5.889 10.243 255 HG1 THR 31 HG1 THR 31 0.335 -7.958 8.360 256 HG21 THR 31 HG21 THR 31 -1.748 -7.485 11.121 257 HG22 THR 31 HG22 THR 31 -0.165 -8.258 10.966 258 HG23 THR 31 HG23 THR 31 -1.427 -8.574 9.773 259 H SER 32 H SER 32 -0.920 -3.693 9.456 260 HA SER 32 HA SER 32 -0.784 -2.289 7.031 261 HB2 SER 32 HB2 SER 32 0.781 -1.761 9.589 262 HB3 SER 32 HB3 SER 32 0.380 -0.577 8.340 263 HG SER 32 HG SER 32 -1.563 -0.393 9.154 264 H GLU 33 H GLU 33 1.520 -4.420 8.667 265 HA GLU 33 HA GLU 33 3.850 -3.680 7.256 266 HB2 GLU 33 HB2 GLU 33 3.168 -6.299 8.632 267 HB3 GLU 33 HB3 GLU 33 4.731 -5.971 7.888 268 HG2 GLU 33 HG2 GLU 33 4.671 -3.819 9.458 269 HG3 GLU 33 HG3 GLU 33 3.540 -4.798 10.392 270 H ASP 34 H ASP 34 1.367 -6.157 6.553 271 HA ASP 34 HA ASP 34 2.598 -7.402 4.354 272 HB2 ASP 34 HB2 ASP 34 -0.376 -6.929 4.851 273 HB3 ASP 34 HB3 ASP 34 0.263 -8.018 3.623 274 H ALA 35 H ALA 35 0.891 -4.367 4.558 275 HA ALA 35 HA ALA 35 0.684 -3.777 1.780 276 HB1 ALA 35 HB1 ALA 35 0.125 -1.512 2.529 277 HB2 ALA 35 HB2 ALA 35 0.643 -1.918 4.168 278 HB3 ALA 35 HB3 ALA 35 -0.757 -2.725 3.458 279 H GLU 36 H GLU 36 3.027 -2.779 4.335 280 HA GLU 36 HA GLU 36 4.497 -1.051 2.588 281 HB2 GLU 36 HB2 GLU 36 6.042 -0.697 4.404 282 HB3 GLU 36 HB3 GLU 36 4.419 -0.764 5.081 283 HG2 GLU 36 HG2 GLU 36 4.862 -3.147 5.730 284 HG3 GLU 36 HG3 GLU 36 6.526 -2.938 5.187 285 H ARG 37 H ARG 37 4.798 -4.450 3.440 286 HA ARG 37 HA ARG 37 7.389 -5.027 2.492 287 HB2 ARG 37 HB2 ARG 37 4.919 -6.826 2.421 288 HB3 ARG 37 HB3 ARG 37 6.577 -7.375 2.206 289 HG2 ARG 37 HG2 ARG 37 7.107 -6.732 4.516 290 HG3 ARG 37 HG3 ARG 37 5.469 -6.135 4.739 291 HD2 ARG 37 HD2 ARG 37 4.697 -8.534 4.159 292 HD3 ARG 37 HD3 ARG 37 6.382 -9.005 4.387 293 HE ARG 37 HE ARG 37 4.444 -8.503 6.393 294 HH11 ARG 37 HH11 ARG 37 7.915 -8.081 5.850 295 HH12 ARG 37 HH12 ARG 37 8.288 -8.119 7.543 296 HH21 ARG 37 HH21 ARG 37 4.955 -8.518 8.578 297 HH22 ARG 37 HH22 ARG 37 6.604 -8.366 9.096 298 H MET 38 H MET 38 4.223 -5.238 0.867 299 HA MET 38 HA MET 38 5.374 -5.846 -1.692 300 HB2 MET 38 HB2 MET 38 2.521 -5.279 -0.854 301 HB3 MET 38 HB3 MET 38 2.985 -5.704 -2.495 302 HG2 MET 38 HG2 MET 38 3.452 -7.468 -0.075 303 HG3 MET 38 HG3 MET 38 2.082 -7.613 -1.168 304 HE1 MET 38 HE1 MET 38 6.404 -9.039 -2.036 305 HE2 MET 38 HE2 MET 38 5.708 -8.771 -0.438 306 HE3 MET 38 HE3 MET 38 6.134 -7.396 -1.457 307 H ALA 39 H ALA 39 4.609 -2.908 -0.026 308 HA ALA 39 HA ALA 39 4.416 -1.173 -2.301 309 HB1 ALA 39 HB1 ALA 39 4.791 0.657 -0.687 310 HB2 ALA 39 HB2 ALA 39 5.249 -0.517 0.553 311 HB3 ALA 39 HB3 ALA 39 3.600 -0.495 -0.076 312 H ARG 40 H ARG 40 7.103 -2.151 -0.167 313 HA ARG 40 HA ARG 40 9.086 -0.558 -1.554 314 HB2 ARG 40 HB2 ARG 40 10.707 -1.480 0.019 315 HB3 ARG 40 HB3 ARG 40 9.266 -0.944 0.874 316 HG2 ARG 40 HG2 ARG 40 8.483 -3.283 1.030 317 HG3 ARG 40 HG3 ARG 40 9.937 -3.829 0.194 318 HD2 ARG 40 HD2 ARG 40 10.125 -4.163 2.606 319 HD3 ARG 40 HD3 ARG 40 11.315 -2.984 2.045 320 HE ARG 40 HE ARG 40 9.398 -1.340 2.842 321 HH11 ARG 40 HH11 ARG 40 10.620 -4.200 4.508 322 HH12 ARG 40 HH12 ARG 40 10.267 -3.572 6.084 323 HH21 ARG 40 HH21 ARG 40 9.007 -0.517 4.907 324 HH22 ARG 40 HH22 ARG 40 9.351 -1.480 6.309 325 H ASN 41 H ASN 41 7.627 -3.473 -2.294 326 HA ASN 41 HA ASN 41 9.837 -4.202 -4.134 327 HB2 ASN 41 HB2 ASN 41 7.818 -6.096 -2.853 328 HB3 ASN 41 HB3 ASN 41 8.953 -6.559 -4.116 329 HD21 ASN 41 HD21 ASN 41 8.512 -6.261 -0.779 330 HD22 ASN 41 HD22 ASN 41 10.133 -6.555 -0.286 331 H CYS 42 H CYS 42 7.016 -2.620 -4.125 332 HA CYS 42 HA CYS 42 5.655 -3.770 -6.390 333 HB2 CYS 42 HB2 CYS 42 4.254 -2.430 -4.991 334 HB3 CYS 42 HB3 CYS 42 5.414 -1.105 -4.954 335 H GLU 43 H GLU 43 7.582 -0.782 -5.967 336 HA GLU 43 HA GLU 43 8.711 -0.714 -8.560 337 HB2 GLU 43 HB2 GLU 43 6.255 -0.356 -9.121 338 HB3 GLU 43 HB3 GLU 43 6.288 1.110 -8.149 339 HG2 GLU 43 HG2 GLU 43 8.055 2.008 -9.675 340 HG3 GLU 43 HG3 GLU 43 7.854 0.571 -10.675 341 H SER 44 H SER 44 7.189 1.282 -6.076 342 HA SER 44 HA SER 44 9.045 3.428 -6.064 343 HB2 SER 44 HB2 SER 44 7.054 2.581 -3.906 344 HB3 SER 44 HB3 SER 44 7.786 4.177 -4.094 345 HG SER 44 HG SER 44 6.750 4.181 -6.221
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